| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.5 | Very low | 38.7 | Very low | 254 Ų | 254 | 150.8 Ų | 150.8 | 100% | 1.251 | 85% | 0.848 | S | S | * | * | 0 | 144.1 | 0 | -66.5 | 178 | 165.2 | 0 | 0 | 106.9 | |||||
| 2 | G | 33.5 | Very low | 38.2 | Very low | 64 Ų | 64 | 153 Ų | 153 | 66% | 0.66 | 86% | 0.856 | S | S | * | * | cis | 120.5 | 72.2 | 22.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | C | 39 | Very low | 37.7 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 83% | 0.831 | 85% | 0.848 | S | S | * | * | 109.2 | 172.5 | 87.2 | -84.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 4 | I | 40.3 | Very low | 37.5 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 93% | 0.933 | 85% | 0.85 | S | S | * | * | trans | 88.2 | 122.2 | -177.2 | -52 | 162.1 | 0 | 0 | 0 | 113.6 | ||||
| 5 | G | 36.1 | Very low | 38.5 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 84% | 0.842 | S | S | * | * | cis | 168.2 | 158.1 | -11.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 6 | S | 38.9 | Very low | 38.3 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | 63.8 | 142.4 | 167 | -65.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 7 | R | 43.1 | Very low | 38.2 | Very low | 239 Ų | 239 | 143.8 Ų | 143.8 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | cis | -132.5 | 151.6 | 21.9 | -60 | 169.1 | -169.1 | -100.3 | -3.1 | 112 | ||||
| 8 | R | 40.5 | Very low | 38.8 | Very low | 231 Ų | 231 | 147.3 Ų | 147.3 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | -88.4 | 163.7 | 152.3 | -52.9 | 177.6 | -172.2 | 170.6 | 1.5 | 106.4 | ||||
| 9 | L | 40.5 | Very low | 38.4 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | cis | -154.1 | 178.8 | 41.7 | -63.9 | 156.9 | 0 | 0 | 0 | 106.9 | ||||
| 10 | T | 36.7 | Very low | 38.3 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | cis | -130.8 | 172.8 | 10.9 | 44.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | A | 40.4 | Very low | 38.2 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -123 | 154.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 12 | D | 32.5 | Very low | 38.2 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | trans | 179.4 | 154.3 | 142.3 | -88.8 | -26.7 | 0 | 0 | 0 | 109 | ||||
| 13 | G | 32.6 | Very low | 38.5 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 114.4 | 28.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 14 | V | 34.4 | Very low | 38.5 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -19.6 | 141.3 | 152.3 | 166 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 15 | P | 53.2 | Low | 38.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -128.7 | 175.7 | -60.4 | 41.3 | -23 | 0 | 0 | 0 | 113.2 | |||||
| 16 | V | 34.8 | Very low | 39.6 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -160.8 | 113.1 | 153.3 | 122.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 17 | Q | 36.9 | Very low | 40 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | 76.7 | 128.5 | 90.4 | -161.6 | 171 | -43.7 | 0 | 0 | 112.6 | D19 | Q17-D19 PolarHBondContact NE2-OD2 3.15Å; Q17-D19 PolarHBondContact O-N 2.68Å | |||
| 18 | K | 49.2 | Very low | 40.2 | Very low | 207 Ų | 207 | 140 Ų | 140 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | trans | -104.7 | 61.5 | -157 | -166.7 | -161.5 | 173.8 | -173.5 | 0 | 111.5 | ||||
| 19 | D | 31.4 | Very low | 40.9 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 66% | 0.658 | 76% | 0.763 | S | S | * | * | trans | -98.8 | 120.9 | 174.8 | -47 | -45.8 | 0 | 0 | 0 | 105.9 | Q17 | Q17-D19 PolarHBondContact NE2-OD2 3.15Å; Q17-D19 PolarHBondContact O-N 2.68Å | ||
| 20 | G | 36.4 | Very low | 41.2 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | cis | 104 | 75.9 | 29 | 0 | 0 | 0 | 0 | 0 | 106.7 | Q22 | G20-Q22 PolarHBondContact O-N 3.36Š| ||
| 21 | E | 36.3 | Very low | 42 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -69.7 | 72.4 | -170.4 | -65.2 | -179.2 | 134.4 | 0 | 0 | 112.1 | L23 | E21-L23 PolarHBondContact O-N 3.34Š| ||
| 22 | Q | 35.8 | Very low | 42.4 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -66.3 | 107.7 | 156.5 | -72.6 | -173.8 | -26.3 | 0 | 0 | 107.5 | G20 S24 | G20-Q22 PolarHBondContact O-N 3.36Å; Q22-S24 PolarHBondContact O-N 3.19Å | ||
| 23 | L | 39.2 | Very low | 43 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -69.3 | 79.4 | 164.1 | -65.6 | 176.1 | 0 | 0 | 0 | 108.2 | E21 | E21-L23 PolarHBondContact O-N 3.34Š| ||
| 24 | S | 38.7 | Very low | 43.8 | Very low | 81 Ų | 81 | 140 Ų | 140 | 57% | 0.566 | 75% | 0.751 | S | S | * | * | trans | -70.3 | 139.7 | -175.8 | -149.1 | 0 | 0 | 0 | 0 | 110.2 | Q22 E26 | Q22-S24 PolarHBondContact O-N 3.19Å; S24-E26 VanDerWaalsContact C-N 3.34Å; S24-E26 WeakPolarHBondContact CB-OE2 3.32Å; S24-E26 PolarHBondContact O-N 3.04Å; S24-E26 PolarHBondContact OG-OE2 3.5Å | ||
| 25 | M | 45.4 | Very low | 44.3 | Very low | 163 Ų | 163 | 141 Ų | 141 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -87.9 | 9.5 | -159.8 | -64.6 | -172.9 | 65.2 | 0 | 0 | 115.2 | ||
| 26 | E | 54.8 | Low | 43.9 | Very low | 121 Ų | 121 | 144 Ų | 144 | 57% | 0.565 | 75% | 0.752 | S | S | * | * | trans | -85.5 | -20.9 | -159.7 | -71.8 | 64.8 | -132.6 | 0 | 0 | 116 | S24 T28 | S24-E26 VanDerWaalsContact C-N 3.34Å; S24-E26 WeakPolarHBondContact CB-OE2 3.32Å; S24-E26 PolarHBondContact O-N 3.04Å; S24-E26 PolarHBondContact OG-OE2 3.5Å; E26-T28 VanDerWaalsContact C-N 3.33Å; E26-T28 PolarHBondContact O-N 3.25Å | ||
| 27 | D | 46.5 | Very low | 44.8 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -86.7 | 15.3 | -165.1 | -104 | -16.4 | 0 | 0 | 0 | 116.5 | T29 S30 | D27-T29 VanDerWaalsContact C-N 3.27Å; D27-T29 PolarHBondContact O-N 2.75Å; D27-S30 PolarHBondContact O-OG 2.88Å |
| 28 | T | 47.6 | Very low | 45.5 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -76.7 | -8.7 | 175.6 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | E26 S30 | E26-T28 VanDerWaalsContact C-N 3.33Å; E26-T28 PolarHBondContact O-N 3.25Å; T28-S30 VanDerWaalsContact C-N 3.26Å; T28-S30 PolarHBondContact O-N 2.81Å |
| 29 | T | 56 | Low | 45.6 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -75.6 | -7 | -174.7 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | D27 | D27-T29 VanDerWaalsContact C-N 3.27Å; D27-T29 PolarHBondContact O-N 2.75Å |
| 30 | S | 45.8 | Very low | 46.3 | Very low | 96 Ų | 96 | 146 Ų | 146 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -81 | -20.3 | -175.1 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | D27 T28 | D27-S30 PolarHBondContact O-OG 2.88Å; T28-S30 VanDerWaalsContact C-N 3.26Å; T28-S30 PolarHBondContact O-N 2.81Å |
| 31 | I | 54.6 | Low | 47 | Very low | 142 Ų | 142 | 148 Ų | 148 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -86.6 | -20.8 | -169.8 | -61.1 | 172.8 | 0 | 0 | 0 | 112.6 | ||
| 32 | L | 47.7 | Very low | 47.8 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -89.9 | 136.6 | -175.7 | -63.2 | 178.3 | 0 | 0 | 0 | 112.4 | R34 | L32-R34 PolarHBondContact O-N 2.89Š|
| 33 | P | 45.4 | Very low | 48.5 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -53.4 | 134.8 | 170.8 | -26.3 | 35 | 0 | 0 | 0 | 111.5 | L35 | P33-L35 VanDerWaalsContact C-N 3.32Å; P33-L35 PolarHBondContact O-N 3.01Å | ||
| 34 | R | 50.6 | Low | 49.1 | Very low | 255 Ų | 255 | 142.1 Ų | 142.1 | 96% | 0.962 | 75% | 0.75 | S | S | * | * | trans | -66.4 | 81.8 | -174.1 | -77.7 | -178.9 | 162.2 | -175.9 | -4.5 | 112.7 | L32 K36 | L32-R34 PolarHBondContact O-N 2.89Å; R34-K36 PolarHBondContact O-N 3.19Å | ||
| 35 | L | 43.9 | Very low | 49.7 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -64.1 | 122.7 | 174.3 | -170 | 61.8 | 0 | 0 | 0 | 110.1 | P33 R37 | P33-L35 VanDerWaalsContact C-N 3.32Å; P33-L35 PolarHBondContact O-N 3.01Å; L35-R37 PolarHBondContact O-N 3.45Å | ||
| 36 | K | 44.8 | Very low | 49.9 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | trans | -63.8 | 119.4 | -176.4 | -174.4 | -177.4 | 179.7 | -175 | 0 | 109.9 | R34 N38 | R34-K36 PolarHBondContact O-N 3.19Å; K36-N38 PolarHBondContact O-N 2.99Å; K36-N38 VanDerWaalsContact O-N 3.16Å; K36-N38 PolarHBondContact O-OD1 3.36Å | ||
| 37 | R | 54.5 | Low | 49.6 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | -67 | 108.6 | -176.8 | -50.9 | -176.4 | -152.9 | 97 | -2.1 | 111.7 | L35 | L35-R37 PolarHBondContact O-N 3.45Š| ||
| 38 | N | 51.1 | Low | 49.6 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -159.3 | 39.5 | 163.9 | 66.5 | -37.8 | 0 | 0 | 0 | 115.5 | K36 | K36-N38 PolarHBondContact O-N 2.99Å; K36-N38 VanDerWaalsContact O-N 3.16Å; K36-N38 PolarHBondContact O-OD1 3.36Å | ||
| 39 | S | 50.3 | Low | 49.5 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -148.1 | 163.8 | 163.6 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 40 | N | 46.8 | Very low | 48.9 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | -70.8 | 154.2 | -163.9 | -69.4 | -56.1 | 0 | 0 | 0 | 114.5 | Y42 | N40-Y42 VanDerWaalsContact C-N 3.28Å; N40-Y42 PolarHBondContact O-N 3.37Å | ||
| 41 | A | 51.4 | Low | 49.1 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -77.5 | 51.3 | -161.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | G43 | A41-G43 VanDerWaalsContact C-N 3.25Å; A41-G43 PolarHBondContact O-N 3.02Å |
| 42 | Y | 53.7 | Low | 48.8 | Very low | 219 Ų | 219 | 135.2 Ų | 135.2 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -89.9 | 58.6 | 165 | -70.6 | -82.5 | 0 | 0 | 0 | 110.8 | N40 | N40-Y42 VanDerWaalsContact C-N 3.28Å; N40-Y42 PolarHBondContact O-N 3.37Å | ||
| 43 | G | 50.4 | Low | 49 | Very low | 44 Ų | 44 | 134.4 Ų | 134.4 | 45% | 0.454 | 74% | 0.742 | S | S | . | * | trans | -73.3 | 148.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A41 G45 A46 | A41-G43 VanDerWaalsContact C-N 3.25Å; A41-G43 PolarHBondContact O-N 3.02Å; G43-G45 PolarHBondContact O-N 3.41Å; G43-A46 VanDerWaalsContact O-CB 3.31Å; G43-A46 WeakPolarHBondContact O-CB 3.3Å; G43-A46 PolarHBondContact O-N 3.46Å | ||
| 44 | I | 50.5 | Low | 49.1 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -53.9 | -31.5 | -172.3 | -64.4 | 169.2 | 0 | 0 | 0 | 113.2 | A46 L47 | I44-A46 PolarHBondContact O-N 3.34Å; I44-A46 VanDerWaalsContact O-N 3.14Å; I44-L47 PolarHBondContact O-N 2.83Å; I44-L47 VanDerWaalsContact O-N 3.12Å |
| 45 | G | 51.4 | Low | 48.7 | Very low | 57 Ų | 57 | 126.7 Ų | 126.7 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -62.2 | -15.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G43 | G43-G45 PolarHBondContact O-N 3.41Š|
| 46 | A | 50.3 | Low | 49.2 | Very low | 50 Ų | 50 | 124.9 Ų | 124.9 | 41% | 0.413 | 74% | 0.737 | S | S | . | * | G | 310 helix | trans | -73.3 | -39.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G43 I44 A48 K49 S50 | G43-A46 VanDerWaalsContact O-CB 3.31Å; G43-A46 WeakPolarHBondContact O-CB 3.3Å; G43-A46 PolarHBondContact O-N 3.46Å; I44-A46 PolarHBondContact O-N 3.34Å; I44-A46 VanDerWaalsContact O-N 3.14Å; A46-A48 VanDerWaalsContact C-N 3.3Å; A46-A48 PolarHBondContact O-N 2.95Å; A46-K49 PolarHBondContact O-N 3.15Å; A46-S50 PolarHBondContact O-N 3.46Å; A46-S50 VanDerWaalsContact O-N 3.11Å |
| 47 | L | 47.8 | Very low | 49.4 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -64.4 | -36.6 | -178.9 | -62.1 | 174.7 | 0 | 0 | 0 | 111.7 | I44 K49 S50 | I44-L47 PolarHBondContact O-N 2.83Å; I44-L47 VanDerWaalsContact O-N 3.12Å; L47-K49 PolarHBondContact O-N 2.8Å; L47-K49 VanDerWaalsContact O-N 3.12Å; L47-S50 PolarHBondContact O-N 3.1Å; L47-S50 PolarHBondContact O-OG 3.15Å |
| 48 | A | 46.6 | Very low | 49.3 | Very low | 91 Ų | 91 | 112.8 Ų | 112.8 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -62.9 | -13.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | A46 | A46-A48 VanDerWaalsContact C-N 3.3Å; A46-A48 PolarHBondContact O-N 2.95Å |
| 49 | K | 46.5 | Very low | 49.3 | Very low | 185 Ų | 185 | 110.3 Ų | 110.3 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -112.7 | -14.4 | 178 | -66.9 | -171.5 | 66.9 | 175.8 | 0 | 114.5 | A46 L47 | A46-K49 PolarHBondContact O-N 3.15Å; L47-K49 PolarHBondContact O-N 2.8Å; L47-K49 VanDerWaalsContact O-N 3.12Å |
| 50 | S | 42.6 | Very low | 49.3 | Very low | 71 Ų | 71 | 112.9 Ų | 112.9 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -85.4 | -23.7 | 178.3 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | A46 L47 L52 | A46-S50 PolarHBondContact O-N 3.46Å; A46-S50 VanDerWaalsContact O-N 3.11Å; L47-S50 PolarHBondContact O-N 3.1Å; L47-S50 PolarHBondContact O-OG 3.15Å; S50-L52 PolarHBondContact O-N 3.44Å |
| 51 | S | 49.4 | Very low | 49.5 | Very low | 111 Ų | 111 | 110 Ų | 110 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 40.6 | -173.1 | -148.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 52 | L | 49.4 | Very low | 49.4 | Very low | 142 Ų | 142 | 111.6 Ų | 111.6 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | -2.9 | 171.4 | -151.3 | 72.4 | 0 | 0 | 0 | 114.7 | S50 T59 | S50-L52 PolarHBondContact O-N 3.44Å; L52-T59 HydrophobicContact CD1-CG2 4.02Å; L52-T59 HydrophobicContact CG-CG2 4.39Å |
| 53 | S | 51.5 | Low | 49.5 | Very low | 117 Ų | 117 | 109.9 Ų | 109.9 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -151 | 72.9 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 54 | G | 47.5 | Very low | 49.6 | Very low | 73 Ų | 73 | 113.8 Ų | 113.8 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 170.7 | 22.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 55 | V | 42.1 | Very low | 49.8 | Very low | 137 Ų | 137 | 111.8 Ų | 111.8 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -159.9 | 145.2 | 157.7 | 134.9 | 0 | 0 | 0 | 0 | 108 | ||
| 56 | S | 53.6 | Low | 50 | Low | 128 Ų | 128 | 113.1 Ų | 113.1 | 90% | 0.895 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -73.6 | 135.7 | -178.2 | -167 | 0 | 0 | 0 | 0 | 111.8 | ||
| 57 | G | 50.4 | Low | 50.3 | Low | 65 Ų | 65 | 112.4 Ų | 112.4 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 154.2 | -51.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 58 | V | 52.1 | Low | 50.7 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -108.5 | -22.1 | -154.9 | 176.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 59 | T | 51.5 | Low | 51.1 | Low | 86 Ų | 86 | 115.1 Ų | 115.1 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | -1.8 | -153.5 | 47 | 0 | 0 | 0 | 0 | 118.4 | L52 | L52-T59 HydrophobicContact CD1-CG2 4.02Å; L52-T59 HydrophobicContact CG-CG2 4.39Å |
| 60 | R | 50.1 | Low | 51.5 | Low | 173 Ų | 173 | 109.2 Ų | 109.2 | 65% | 0.653 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -48.6 | 174.4 | -162.5 | -171.5 | 175.6 | -67.4 | -5.4 | 113.6 | E64 | R60-E64 IonicContact CZ-OE1 2.75Å; R60-E64 IonicContact CZ-OE2 3.74Å; R60-E64 IonicContact NH1-OE1 3.41Å; R60-E64 PolarHBondContact NH1-OE1 3.24Å; R60-E64 IonicContact NH1-OE2 2.96Å; R60-E64 PolarHBondContact NH1-OE2 3.12Å; R60-E64 IonicContact NH2-OE1 3.37Å; R60-E64 PolarHBondContact NH2-OE1 3.32Å |
| 61 | T | 51.6 | Low | 52.1 | Low | 90 Ų | 90 | 110 Ų | 110 | 55% | 0.552 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -41.1 | -167.2 | 46.8 | 0 | 0 | 0 | 0 | 113.7 | K63 E64 R65 | T61-K63 VanDerWaalsContact C-N 3.34Å; T61-K63 PolarHBondContact O-N 2.75Å; T61-E64 PolarHBondContact O-N 3.21Å; T61-R65 WeakPolarHBondContact O-CG 3.42Å |
| 62 | M | 48.9 | Very low | 52.4 | Low | 135 Ų | 135 | 109 Ų | 109 | 67% | 0.665 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -70.9 | -29.6 | -173.5 | -159.6 | 167.7 | -174.7 | 0 | 0 | 112.9 | E64 R65 | M62-E64 VanDerWaalsContact C-N 3.32Å; M62-E64 PolarHBondContact O-N 2.87Å; M62-R65 PolarHBondContact O-N 2.9Å |
| 63 | K | 55.3 | Low | 52.6 | Low | 183 Ų | 183 | 106.6 Ų | 106.6 | 80% | 0.796 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -71.6 | -25.2 | 176.2 | -174.2 | 176.6 | 176.6 | -176.9 | 0 | 113.1 | T61 R65 | T61-K63 VanDerWaalsContact C-N 3.34Å; T61-K63 PolarHBondContact O-N 2.75Å; K63-R65 VanDerWaalsContact C-N 3.34Å |
| 64 | E | 53.3 | Low | 53 | Low | 125 Ų | 125 | 108.9 Ų | 108.9 | 58% | 0.584 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -85.9 | -8.3 | -179.3 | -157.9 | 167 | -139.4 | 0 | 0 | 112.2 | R60 T61 M62 | R60-E64 IonicContact CZ-OE1 2.75Å; R60-E64 IonicContact CZ-OE2 3.74Å; R60-E64 IonicContact NH1-OE1 3.41Å; R60-E64 PolarHBondContact NH1-OE1 3.24Å; R60-E64 IonicContact NH1-OE2 2.96Å; R60-E64 PolarHBondContact NH1-OE2 3.12Å; R60-E64 IonicContact NH2-OE1 3.37Å; R60-E64 PolarHBondContact NH2-OE1 3.32Å; T61-E64 PolarHBondContact O-N 3.21Å; M62-E64 VanDerWaalsContact C-N 3.32Å; M62-E64 PolarHBondContact O-N 2.87Å |
| 65 | R | 54.4 | Low | 53.4 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 40% | 0.404 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -115.2 | 3.2 | -175.7 | -65.4 | -68 | -163.9 | 160.5 | 5.9 | 114.9 | T61 M62 K63 T67 E82 N85 | T61-R65 WeakPolarHBondContact O-CG 3.42Å; M62-R65 PolarHBondContact O-N 2.9Å; K63-R65 VanDerWaalsContact C-N 3.34Å; R65-T67 PolarHBondContact O-N 3.01Å; R65-E82 WeakPolarHBondContact O-CG 3.46Å; R65-N85 PolarHBondContact NH1-ND2 3.29Å; R65-N85 VanDerWaalsContact NH1-ND2 3.15Å; R65-N85 VanDerWaalsContact NH2-CG 3.29Å |
| 66 | V | 54.3 | Low | 54.6 | Low | 85 Ų | 85 | 109.4 Ų | 109.4 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | B | Isolated β-bridge | trans | -85.2 | 107.9 | 168.7 | 176.1 | 0 | 0 | 0 | 0 | 107 | ||
| 67 | T | 57.7 | Low | 55 | Low | 35 Ų | 35 | 107.5 Ų | 107.5 | 22% | 0.215 | 59% | 0.592 | C | S | . | * | trans | -60.8 | 151.2 | 177.9 | 74.3 | 0 | 0 | 0 | 0 | 110 | R65 M80 E82 | R65-T67 PolarHBondContact O-N 3.01Å; T67-M80 VanDerWaalsContact OG1-CB 3.26Å; T67-M80 WeakPolarHBondContact OG1-CB 3.24Å; T67-M80 PolarHBondContact OG1-O 3.07Å; T67-E82 HydrophobicContact CG2-CB 4.3Å; T67-E82 HydrophobicContact CG2-CG 3.95Å | ||
| 68 | K | 56 | Low | 55.5 | Low | 187 Ų | 187 | 106.1 Ų | 106.1 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | trans | -52.6 | 142.7 | 175 | -65.6 | 177.6 | -177.2 | 174 | 0 | 109.8 | T70 | K68-T70 PolarHBondContact O-N 2.93Å; K68-T70 VanDerWaalsContact O-N 3.07Å | ||
| 69 | P | 55.3 | Low | 55.9 | Low | 80 Ų | 80 | 107.1 Ų | 107.1 | 52% | 0.519 | 57% | 0.572 | S | S | . | * | trans | -58.3 | 115.2 | -174.8 | 21.4 | -32.8 | 0 | 0 | 0 | 111.3 | A71 V77 | P69-A71 PolarHBondContact O-N 2.77Å; P69-V77 HydrophobicContact CB-CG1 3.59Å | ||
| 70 | T | 54.5 | Low | 56 | Low | 62 Ų | 62 | 108.4 Ų | 108.4 | 38% | 0.38 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 96.6 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 108.2 | K68 M72 A78 | K68-T70 PolarHBondContact O-N 2.93Å; K68-T70 VanDerWaalsContact O-N 3.07Å; T70-M72 PolarHBondContact O-N 3.37Å; T70-A78 PolarHBondContact N-O 3.28Å |
| 71 | A | 55.9 | Low | 56.5 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 71% | 0.711 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.8 | 100.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P69 | P69-A71 PolarHBondContact O-N 2.77Å |
| 72 | M | 54.9 | Low | 56.7 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | trans | -76.2 | 143.9 | 170.6 | -59.6 | -174.7 | -65.1 | 0 | 0 | 109.9 | T70 G75 R76 A78 | T70-M72 PolarHBondContact O-N 3.37Å; M72-G75 PolarHBondContact O-N 2.91Å; M72-R76 WeakPolarHBondContact CB-O 3.45Å; M72-R76 HydrophobicContact CE-CB 3.96Å; M72-R76 WeakPolarHBondContact CE-O 3.48Å; M72-R76 PolarHBondContact N-O 3.39Å; M72-A78 HydrophobicContact CE-CB 3.75Å; M72-A78 HydrophobicContact SD-CB 4.4Å | ||
| 73 | A | 54 | Low | 56.9 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 74% | 0.744 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 148.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 74 | Q | 59.1 | Low | 56.7 | Low | 165 Ų | 165 | 104.8 Ų | 104.8 | 77% | 0.771 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.2 | 15.6 | -165 | -47.8 | 177.6 | -22.7 | 0 | 0 | 115.5 | R76 | Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 2.72Å |
| 75 | G | 56.5 | Low | 56.5 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 73% | 0.732 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 76 | 8.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116 | M72 V77 | M72-G75 PolarHBondContact O-N 2.91Å; G75-V77 PolarHBondContact O-N 2.97Å |
| 76 | R | 66.3 | Low | 56.1 | Low | 150 Ų | 150 | 106.4 Ų | 106.4 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | trans | -80.5 | 106.1 | 170.8 | -72.2 | -177.2 | -67.7 | -111.3 | -12 | 109.3 | M72 Q74 A78 | M72-R76 WeakPolarHBondContact CB-O 3.45Å; M72-R76 HydrophobicContact CE-CB 3.96Å; M72-R76 WeakPolarHBondContact CE-O 3.48Å; M72-R76 PolarHBondContact N-O 3.39Å; Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 2.72Å; R76-A78 PolarHBondContact O-N 3.04Å | ||
| 77 | V | 63 | Low | 56 | Low | 88 Ų | 88 | 106 Ų | 106 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75 | 115.4 | 169.8 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | P69 G75 | P69-V77 HydrophobicContact CB-CG1 3.59Å; G75-V77 PolarHBondContact O-N 2.97Å |
| 78 | A | 61.2 | Low | 55.5 | Low | 37 Ų | 37 | 111.3 Ų | 111.3 | 31% | 0.306 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | T70 M72 R76 | T70-A78 PolarHBondContact N-O 3.28Å; M72-A78 HydrophobicContact CE-CB 3.75Å; M72-A78 HydrophobicContact SD-CB 4.4Å; R76-A78 PolarHBondContact O-N 3.04Å |
| 79 | H | 60.3 | Low | 55 | Low | 123 Ų | 123 | 109 Ų | 109 | 57% | 0.569 | 59% | 0.592 | S | S | * | * | trans | -88.3 | 108.1 | 168 | -71.6 | -86.2 | 0 | 0 | 0 | 108.6 | I81 | H79-I81 PolarHBondContact O-N 3.36Å; H79-I81 VanDerWaalsContact O-N 3.13Å | ||
| 80 | M | 53.5 | Low | 54.6 | Low | 112 Ų | 112 | 108.5 Ų | 108.5 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | trans | -71 | 103.3 | 166.1 | -96.9 | 169.8 | 56.7 | 0 | 0 | 108.5 | T67 E82 | T67-M80 VanDerWaalsContact OG1-CB 3.26Å; T67-M80 WeakPolarHBondContact OG1-CB 3.24Å; T67-M80 PolarHBondContact OG1-O 3.07Å; M80-E82 PolarHBondContact O-N 2.93Å | ||
| 81 | I | 61.2 | Low | 54 | Low | 99 Ų | 99 | 110.3 Ų | 110.3 | 51% | 0.508 | 60% | 0.598 | S | S | . | * | B | Isolated β-bridge | trans | -80 | 111.6 | 162.5 | -61.2 | 176.5 | 0 | 0 | 0 | 105.9 | H79 W83 | H79-I81 PolarHBondContact O-N 3.36Å; H79-I81 VanDerWaalsContact O-N 3.13Å; I81-W83 PolarHBondContact O-N 3.4Å; I81-W83 VanDerWaalsContact O-N 3.16Å |
| 82 | E | 56 | Low | 53.6 | Low | 74 Ų | 74 | 107.7 Ų | 107.7 | 35% | 0.346 | 58% | 0.58 | S | S | . | * | trans | -71.7 | 105.4 | 172.5 | 46.6 | 177.9 | 164.9 | 0 | 0 | 109.4 | R65 T67 M80 Q84 | R65-E82 WeakPolarHBondContact O-CG 3.46Å; T67-E82 HydrophobicContact CG2-CB 4.3Å; T67-E82 HydrophobicContact CG2-CG 3.95Å; M80-E82 PolarHBondContact O-N 2.93Å; E82-Q84 PolarHBondContact O-N 3.31Å | ||
| 83 | W | 52.9 | Low | 53 | Low | 177 Ų | 177 | 109.1 Ų | 109.1 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | trans | -69 | -16 | -179.8 | -71.1 | 87 | 0 | 0 | 0 | 113.4 | I81 N85 W86 | I81-W83 PolarHBondContact O-N 3.4Å; I81-W83 VanDerWaalsContact O-N 3.16Å; W83-N85 PolarHBondContact O-N 3.05Å; W83-W86 HydrophobicContact CE3-CD2 4.16Å; W83-W86 AromaticContact CE3-CE2 3.79Å; W83-W86 HydrophobicContact CE3-CH2 4.28Å; W83-W86 AromaticContact CE3-CZ2 3.87Å; W83-W86 HydrophobicContact CE3-CZ2 3.87Å; W83-W86 AromaticContact CH2-CH2 3.82Å; W83-W86 HydrophobicContact CH2-CH2 3.82Å; W83-W86 AromaticContact CH2-CZ2 3.79Å; W83-W86 HydrophobicContact CH2-CZ2 3.79Å; W83-W86 HydrophobicContact CZ3-CD2 4.17Å; W83-W86 AromaticContact CZ3-CE2 3.74Å; W83-W86 HydrophobicContact CZ3-CE3 4.18Å; W83-W86 AromaticContact CZ3-CH2 3.4Å; W83-W86 HydrophobicContact CZ3-CH2 3.4Å; W83-W86 VanDerWaalsContact CZ3-CH2 3.4Å; W83-W86 AromaticContact CZ3-CZ2 3.36Å; W83-W86 HydrophobicContact CZ3-CZ2 3.36Å; W83-W86 AromaticContact CZ3-CZ3 3.82Å; W83-W86 HydrophobicContact CZ3-CZ3 3.82Å | ||
| 84 | Q | 50.6 | Low | 52.7 | Low | 156 Ų | 156 | 108.6 Ų | 108.6 | 73% | 0.729 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 124.9 | 170.9 | -67.5 | -167.2 | 5.8 | 0 | 0 | 110 | E82 | E82-Q84 PolarHBondContact O-N 3.31Š|
| 85 | N | 49.2 | Very low | 52 | Low | 104 Ų | 104 | 103.2 Ų | 103.2 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.1 | 33.8 | -179.1 | -41.4 | -93.2 | 0 | 0 | 0 | 116 | R65 W83 | R65-N85 PolarHBondContact NH1-ND2 3.29Å; R65-N85 VanDerWaalsContact NH1-ND2 3.15Å; R65-N85 VanDerWaalsContact NH2-CG 3.29Å; W83-N85 PolarHBondContact O-N 3.05Å |
| 86 | W | 46 | Very low | 51.2 | Low | 161 Ų | 161 | 106.3 Ų | 106.3 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -57.6 | 138.4 | 138.8 | -76.6 | 32.4 | 0 | 0 | 0 | 107.9 | W83 M88 | W83-W86 HydrophobicContact CE3-CD2 4.16Å; W83-W86 AromaticContact CE3-CE2 3.79Å; W83-W86 HydrophobicContact CE3-CH2 4.28Å; W83-W86 AromaticContact CE3-CZ2 3.87Å; W83-W86 HydrophobicContact CE3-CZ2 3.87Å; W83-W86 AromaticContact CH2-CH2 3.82Å; W83-W86 HydrophobicContact CH2-CH2 3.82Å; W83-W86 AromaticContact CH2-CZ2 3.79Å; W83-W86 HydrophobicContact CH2-CZ2 3.79Å; W83-W86 HydrophobicContact CZ3-CD2 4.17Å; W83-W86 AromaticContact CZ3-CE2 3.74Å; W83-W86 HydrophobicContact CZ3-CE3 4.18Å; W83-W86 AromaticContact CZ3-CH2 3.4Å; W83-W86 HydrophobicContact CZ3-CH2 3.4Å; W83-W86 VanDerWaalsContact CZ3-CH2 3.4Å; W83-W86 AromaticContact CZ3-CZ2 3.36Å; W83-W86 HydrophobicContact CZ3-CZ2 3.36Å; W83-W86 AromaticContact CZ3-CZ3 3.82Å; W83-W86 HydrophobicContact CZ3-CZ3 3.82Å; W86-M88 VanDerWaalsContact C-N 3.29Å; W86-M88 PolarHBondContact O-N 2.88Å |
| 87 | G | 52.2 | Low | 50.2 | Low | 78 Ų | 78 | 103.8 Ų | 103.8 | 80% | 0.804 | 60% | 0.6 | S | S | * | * | trans | -73.7 | 65.2 | -158.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q89 | G87-Q89 PolarHBondContact O-N 3.28Š| ||
| 88 | M | 46.5 | Very low | 49.6 | Very low | 145 Ų | 145 | 104.6 Ų | 104.6 | 71% | 0.714 | 60% | 0.598 | S | S | * | * | trans | -65.1 | 85.3 | 163.2 | -66.3 | -176.8 | 77.8 | 0 | 0 | 109.5 | W86 T90 | W86-M88 VanDerWaalsContact C-N 3.29Å; W86-M88 PolarHBondContact O-N 2.88Å; M88-T90 VanDerWaalsContact C-N 3.27Å; M88-T90 PolarHBondContact O-N 3.34Å; M88-T90 VanDerWaalsContact O-N 3.11Å | ||
| 89 | Q | 46.3 | Very low | 49.2 | Very low | 140 Ų | 140 | 107.9 Ų | 107.9 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | trans | -67.1 | 98.1 | 149.4 | -65.6 | -164.3 | 95.6 | 0 | 0 | 105.7 | G87 V91 | G87-Q89 PolarHBondContact O-N 3.28Å; Q89-V91 PolarHBondContact O-N 3.3Å | ||
| 90 | T | 47.3 | Very low | 48.8 | Very low | 69 Ų | 69 | 113.4 Ų | 113.4 | 42% | 0.423 | 64% | 0.635 | S | S | . | * | trans | -64.2 | 100.3 | 173.5 | -4.8 | 0 | 0 | 0 | 0 | 107.3 | M88 G92 | M88-T90 VanDerWaalsContact C-N 3.27Å; M88-T90 PolarHBondContact O-N 3.34Å; M88-T90 VanDerWaalsContact O-N 3.11Å; T90-G92 PolarHBondContact O-N 3.22Å; T90-G92 VanDerWaalsContact O-N 3.07Å | ||
| 91 | V | 41.8 | Very low | 49.2 | Very low | 99 Ų | 99 | 109.7 Ų | 109.7 | 60% | 0.6 | 62% | 0.617 | S | S | * | * | B | Isolated β-bridge | trans | -65 | 105.9 | 164.6 | -89.4 | 0 | 0 | 0 | 0 | 107.1 | Q89 | Q89-V91 PolarHBondContact O-N 3.3Å |
| 92 | G | 47.3 | Very low | 49.2 | Very low | 32 Ų | 32 | 107.7 Ų | 107.7 | 33% | 0.33 | 61% | 0.611 | S | S | . | * | trans | -62.6 | 167.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | T90 G94 G95 | T90-G92 PolarHBondContact O-N 3.22Å; T90-G92 VanDerWaalsContact O-N 3.07Å; G92-G94 PolarHBondContact O-N 3.38Å; G92-G95 PolarHBondContact O-N 2.66Å | ||
| 93 | A | 41.8 | Very low | 49.7 | Very low | 121 Ų | 121 | 110.1 Ų | 110.1 | 100% | 1 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 116.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 94 | G | 48.7 | Very low | 50.3 | Low | 79 Ų | 79 | 109.3 Ų | 109.3 | 81% | 0.814 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.7 | -7.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G92 L96 | G92-G94 PolarHBondContact O-N 3.38Å; G94-L96 VanDerWaalsContact C-N 3.3Å; G94-L96 PolarHBondContact O-N 2.8Å |
| 95 | G | 44.5 | Very low | 51.1 | Low | 52 Ų | 52 | 107.1 Ų | 107.1 | 54% | 0.536 | 63% | 0.625 | S | S | . | * | trans | 75.4 | 8.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G92 | G92-G95 PolarHBondContact O-N 2.66Š| ||
| 96 | L | 39.3 | Very low | 52.1 | Low | 137 Ų | 137 | 107.9 Ų | 107.9 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | trans | -75.8 | 141.9 | 176.1 | -68.9 | 171.2 | 0 | 0 | 0 | 111.4 | G94 Q98 | G94-L96 VanDerWaalsContact C-N 3.3Å; G94-L96 PolarHBondContact O-N 2.8Å; L96-Q98 PolarHBondContact O-N 3.28Å; L96-Q98 VanDerWaalsContact O-N 3.13Å | ||
| 97 | P | 45.9 | Very low | 53.3 | Low | 97 Ų | 97 | 103.1 Ų | 103.1 | 63% | 0.63 | 60% | 0.604 | S | S | * | * | B | Isolated β-bridge | trans | -74.1 | 103.1 | 176.1 | 29.7 | -33.3 | 0 | 0 | 0 | 110.4 | ||
| 98 | Q | 48.7 | Very low | 54.2 | Low | 104 Ų | 104 | 106.8 Ų | 106.8 | 49% | 0.486 | 60% | 0.598 | S | S | . | * | trans | -73.3 | 139.1 | -179.4 | -162.2 | 146.6 | -55.7 | 0 | 0 | 111.4 | L96 | L96-Q98 PolarHBondContact O-N 3.28Å; L96-Q98 VanDerWaalsContact O-N 3.13Å | ||
| 99 | S | 53.2 | Low | 55.3 | Low | 106 Ų | 106 | 103.8 Ų | 103.8 | 74% | 0.741 | 58% | 0.582 | S | S | * | * | trans | -62.6 | 167.2 | 179.3 | -168.3 | 0 | 0 | 0 | 0 | 112.1 | I101 | S99-I101 VanDerWaalsContact C-N 3.32Å; S99-I101 PolarHBondContact O-N 3.49Å | ||
| 100 | R | 51.1 | Low | 56.5 | Low | 240 Ų | 240 | 102.4 Ų | 102.4 | 91% | 0.906 | 57% | 0.571 | S | S | * | * | trans | -69.1 | 87.3 | 178.8 | -78.1 | -173.9 | -73 | -159.9 | -4.4 | 111.5 | S102 | R100-S102 PolarHBondContact O-N 3.42Š| ||
| 101 | I | 62.9 | Low | 57.7 | Low | 34 Ų | 34 | 105.3 Ų | 105.3 | 17% | 0.174 | 58% | 0.575 | C | S | . | * | trans | -41.1 | 131.2 | 164.3 | -56.1 | 176.9 | 0 | 0 | 0 | 109.2 | S99 E105 R106 | S99-I101 VanDerWaalsContact C-N 3.32Å; S99-I101 PolarHBondContact O-N 3.49Å; I101-E105 HydrophobicContact CG2-CB 3.73Å; I101-E105 HydrophobicContact CG2-CG 3.65Å; I101-R106 HydrophobicContact CG2-CB 4.08Å | ||
| 102 | S | 62.3 | Low | 59.1 | Low | 56 Ų | 56 | 103.4 Ų | 103.4 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | trans | -61.1 | 151.2 | 179.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | R100 Q104 E105 R106 | R100-S102 PolarHBondContact O-N 3.42Å; S102-Q104 PolarHBondContact O-N 3.32Å; S102-Q104 PolarHBondContact OG-N 3.46Å; S102-E105 PolarHBondContact N-OE2 3.44Å; S102-E105 CarbonylContact O-C 3.58Å; S102-E105 WeakPolarHBondContact O-CA 3.38Å; S102-E105 WeakPolarHBondContact O-CB 3.49Å; S102-E105 PolarHBondContact O-N 3.25Å; S102-R106 PolarHBondContact O-N 3.16Å | ||
| 103 | T | 65.1 | Low | 60.3 | Low | 126 Ų | 126 | 107.9 Ų | 107.9 | 77% | 0.773 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.9 | -34.3 | 174.3 | 45.3 | 0 | 0 | 0 | 0 | 112.2 | E105 E107 | T103-E105 VanDerWaalsContact C-N 3.33Å; T103-E107 WeakPolarHBondContact O-CB 3.34Å; T103-E107 PolarHBondContact O-N 3.45Å; T103-E107 VanDerWaalsContact O-N 3.15Å |
| 104 | Q | 65.3 | Low | 62 | Low | 160 Ų | 160 | 105.9 Ų | 105.9 | 75% | 0.748 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.2 | -33.8 | 172.9 | -178.6 | -179.7 | -0.5 | 0 | 0 | 112.6 | S102 K108 | S102-Q104 PolarHBondContact O-N 3.32Å; S102-Q104 PolarHBondContact OG-N 3.46Å; Q104-K108 WeakPolarHBondContact O-CB 3.37Å; Q104-K108 PolarHBondContact O-N 2.84Å |
| 105 | E | 67.6 | Low | 63.4 | Low | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -81.9 | -41.6 | -175.8 | -174.1 | -179.7 | -150.3 | 0 | 0 | 111.1 | I101 S102 T103 E107 K108 E109 | I101-E105 HydrophobicContact CG2-CB 3.73Å; I101-E105 HydrophobicContact CG2-CG 3.65Å; S102-E105 PolarHBondContact N-OE2 3.44Å; S102-E105 CarbonylContact O-C 3.58Å; S102-E105 WeakPolarHBondContact O-CA 3.38Å; S102-E105 WeakPolarHBondContact O-CB 3.49Å; S102-E105 PolarHBondContact O-N 3.25Å; T103-E105 VanDerWaalsContact C-N 3.33Å; E105-E107 VanDerWaalsContact C-N 3.32Å; E105-E107 PolarHBondContact O-N 2.91Å; E105-K108 CarbonylContact O-C 3.6Å; E105-K108 WeakPolarHBondContact O-CA 3.3Å; E105-K108 WeakPolarHBondContact O-CB 3.3Å; E105-K108 PolarHBondContact O-N 3.13Å; E105-K108 VanDerWaalsContact O-N 3.1Å; E105-E109 WeakPolarHBondContact O-CB 3.5Å; E105-E109 PolarHBondContact O-N 2.93Å |
| 106 | R | 70.6 | Confident | 65 | Low | 120 Ų | 120 | 106.4 Ų | 106.4 | 45% | 0.453 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 168.6 | 173.7 | 177.6 | -73.9 | -121.4 | -4.1 | 112 | I101 S102 K108 E109 R110 | I101-R106 HydrophobicContact CG2-CB 4.08Å; S102-R106 PolarHBondContact O-N 3.16Å; R106-K108 VanDerWaalsContact C-N 3.32Å; R106-E109 PolarHBondContact O-N 3.5Å; R106-R110 VanDerWaalsContact O-CB 3.3Å; R106-R110 WeakPolarHBondContact O-CB 3.26Å; R106-R110 PolarHBondContact O-N 3.29Å |
| 107 | E | 70.6 | Confident | 67 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 28% | 0.28 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77.4 | -19 | 176.7 | 175.6 | 57.6 | -164.1 | 0 | 0 | 112.4 | T103 E105 R110 R111 | T103-E107 WeakPolarHBondContact O-CB 3.34Å; T103-E107 PolarHBondContact O-N 3.45Å; T103-E107 VanDerWaalsContact O-N 3.15Å; E105-E107 VanDerWaalsContact C-N 3.32Å; E105-E107 PolarHBondContact O-N 2.91Å; E107-R110 IonicContact OE1-CZ 3.36Å; E107-R110 IonicContact OE1-NE 2.81Å; E107-R110 IonicContact OE1-NH2 3.8Å; E107-R110 PolarHBondContact OE1-NH2 2.9Å; E107-R110 IonicContact OE2-CZ 3.73Å; E107-R110 IonicContact OE2-NE 3.21Å; E107-R110 PolarHBondContact OE2-NE 2.73Å; E107-R110 IonicContact OE2-NH2 2.66Å; E107-R110 PolarHBondContact OE2-NH2 3.19Å; E107-R111 WeakPolarHBondContact O-CD 3.44Å; E107-R111 VanDerWaalsContact O-CG 3.24Å; E107-R111 WeakPolarHBondContact O-CG 3.43Å; E107-R111 PolarHBondContact O-N 3.13Å; E107-R111 IonicContact OE1-CZ 3.15Å; E107-R111 IonicContact OE1-NE 2.88Å; E107-R111 PolarHBondContact OE1-NE 2.76Å; E107-R111 IonicContact OE1-NH2 2.75Å; E107-R111 PolarHBondContact OE1-NH2 2.53Å |
| 108 | K | 71.8 | Confident | 68.8 | Low | 155 Ų | 155 | 103.1 Ų | 103.1 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -75.2 | -43.9 | 166.4 | -177.8 | -168.4 | 173.1 | -166.3 | 0 | 111 | Q104 E105 R106 R111 A112 | Q104-K108 WeakPolarHBondContact O-CB 3.37Å; Q104-K108 PolarHBondContact O-N 2.84Å; E105-K108 CarbonylContact O-C 3.6Å; E105-K108 WeakPolarHBondContact O-CA 3.3Å; E105-K108 WeakPolarHBondContact O-CB 3.3Å; E105-K108 PolarHBondContact O-N 3.13Å; E105-K108 VanDerWaalsContact O-N 3.1Å; R106-K108 VanDerWaalsContact C-N 3.32Å; K108-R111 PolarHBondContact O-N 2.9Å; K108-A112 PolarHBondContact O-N 2.69Å |
| 109 | E | 69.4 | Low | 70.8 | Confident | 82 Ų | 82 | 105.2 Ų | 105.2 | 38% | 0.383 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.3 | -55 | 173.8 | 179.9 | 176.4 | -128.9 | 0 | 0 | 110.4 | E105 R106 R111 A112 E113 | E105-E109 WeakPolarHBondContact O-CB 3.5Å; E105-E109 PolarHBondContact O-N 2.93Å; R106-E109 PolarHBondContact O-N 3.5Å; E109-R111 PolarHBondContact O-N 3.11Å; E109-R111 VanDerWaalsContact O-N 3.12Å; E109-A112 CarbonylContact O-C 3.59Å; E109-A112 WeakPolarHBondContact O-CB 3.47Å; E109-A112 PolarHBondContact O-N 2.97Å; E109-E113 WeakPolarHBondContact O-CG 3.43Å; E109-E113 PolarHBondContact O-N 2.98Å |
| 110 | R | 72.1 | Confident | 72.6 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -22.4 | 176.3 | -162.1 | -151.5 | 58.8 | 68.1 | 0.4 | 114.2 | R106 E107 N114 | R106-R110 VanDerWaalsContact O-CB 3.3Å; R106-R110 WeakPolarHBondContact O-CB 3.26Å; R106-R110 PolarHBondContact O-N 3.29Å; E107-R110 IonicContact OE1-CZ 3.36Å; E107-R110 IonicContact OE1-NE 2.81Å; E107-R110 IonicContact OE1-NH2 3.8Å; E107-R110 PolarHBondContact OE1-NH2 2.9Å; E107-R110 IonicContact OE2-CZ 3.73Å; E107-R110 IonicContact OE2-NE 3.21Å; E107-R110 PolarHBondContact OE2-NE 2.73Å; E107-R110 IonicContact OE2-NH2 2.66Å; E107-R110 PolarHBondContact OE2-NH2 3.19Å; R110-N114 VanDerWaalsContact O-CB 3.3Å; R110-N114 WeakPolarHBondContact O-CB 3.42Å; R110-N114 PolarHBondContact O-N 3.35Å |
| 111 | R | 72.1 | Confident | 74.5 | Confident | 131 Ų | 131 | 93 Ų | 93 | 49% | 0.494 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.3 | -50 | 168.8 | -76.8 | 172.9 | -159.9 | 152 | 3.7 | 111 | E107 K108 E109 E113 N114 D115 | E107-R111 WeakPolarHBondContact O-CD 3.44Å; E107-R111 VanDerWaalsContact O-CG 3.24Å; E107-R111 WeakPolarHBondContact O-CG 3.43Å; E107-R111 PolarHBondContact O-N 3.13Å; E107-R111 IonicContact OE1-CZ 3.15Å; E107-R111 IonicContact OE1-NE 2.88Å; E107-R111 PolarHBondContact OE1-NE 2.76Å; E107-R111 IonicContact OE1-NH2 2.75Å; E107-R111 PolarHBondContact OE1-NH2 2.53Å; K108-R111 PolarHBondContact O-N 2.9Å; E109-R111 PolarHBondContact O-N 3.11Å; E109-R111 VanDerWaalsContact O-N 3.12Å; R111-E113 VanDerWaalsContact C-N 3.25Å; R111-E113 PolarHBondContact O-N 3.4Å; R111-N114 CarbonylContact O-C 3.56Å; R111-N114 WeakPolarHBondContact O-CA 3.5Å; R111-N114 WeakPolarHBondContact O-CB 3.49Å; R111-N114 PolarHBondContact O-N 2.84Å; R111-D115 WeakPolarHBondContact O-CB 3.38Å; R111-D115 PolarHBondContact O-N 3.03Å |
| 112 | A | 71 | Confident | 75.9 | Confident | 59 Ų | 59 | 97.3 Ų | 97.3 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.4 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K108 E109 A116 | K108-A112 PolarHBondContact O-N 2.69Å; E109-A112 CarbonylContact O-C 3.59Å; E109-A112 WeakPolarHBondContact O-CB 3.47Å; E109-A112 PolarHBondContact O-N 2.97Å; A112-A116 WeakPolarHBondContact O-CB 3.31Å; A112-A116 PolarHBondContact O-N 3.43Å |
| 113 | E | 73.5 | Confident | 77.3 | Confident | 125 Ų | 125 | 96.8 Ų | 96.8 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 171.8 | -69.9 | 178.3 | 146.3 | 0 | 0 | 112.7 | E109 R111 Y117 | E109-E113 WeakPolarHBondContact O-CG 3.43Å; E109-E113 PolarHBondContact O-N 2.98Å; R111-E113 VanDerWaalsContact C-N 3.25Å; R111-E113 PolarHBondContact O-N 3.4Å; E113-Y117 WeakPolarHBondContact O-CB 3.35Å; E113-Y117 PolarHBondContact O-N 3.26Å |
| 114 | N | 75.8 | Confident | 78.5 | Confident | 80 Ų | 80 | 94.8 Ų | 94.8 | 43% | 0.428 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 178.9 | 173.5 | 85.9 | 0 | 0 | 0 | 112.4 | R110 R111 Y117 S118 | R110-N114 VanDerWaalsContact O-CB 3.3Å; R110-N114 WeakPolarHBondContact O-CB 3.42Å; R110-N114 PolarHBondContact O-N 3.35Å; R111-N114 CarbonylContact O-C 3.56Å; R111-N114 WeakPolarHBondContact O-CA 3.5Å; R111-N114 WeakPolarHBondContact O-CB 3.49Å; R111-N114 PolarHBondContact O-N 2.84Å; N114-Y117 PolarHBondContact O-N 3.21Å; N114-S118 WeakPolarHBondContact O-CB 3.41Å; N114-S118 PolarHBondContact O-N 2.82Å; N114-S118 PolarHBondContact O-OG 3.5Å |
| 115 | D | 79.3 | Confident | 79.9 | Confident | 84 Ų | 84 | 89.4 Ų | 89.4 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.2 | -46.9 | 177.6 | -57.5 | -19.2 | 0 | 0 | 0 | 108.8 | R111 Y117 S118 D119 | R111-D115 WeakPolarHBondContact O-CB 3.38Å; R111-D115 PolarHBondContact O-N 3.03Å; D115-Y117 VanDerWaalsContact C-N 3.27Å; D115-Y117 PolarHBondContact O-N 3.31Å; D115-S118 WeakPolarHBondContact O-CA 3.43Å; D115-S118 VanDerWaalsContact O-CB 3.31Å; D115-S118 WeakPolarHBondContact O-CB 3.13Å; D115-S118 PolarHBondContact O-N 3.02Å; D115-D119 PolarHBondContact O-N 3.49Å |
| 116 | A | 78.3 | Confident | 81.1 | Confident | 58 Ų | 58 | 90.9 Ų | 90.9 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -26.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A112 L120 | A112-A116 WeakPolarHBondContact O-CB 3.31Å; A112-A116 PolarHBondContact O-N 3.43Å; A116-L120 WeakPolarHBondContact O-CG 3.46Å |
| 117 | Y | 80.8 | Confident | 82.2 | Confident | 102 Ų | 102 | 88 Ų | 88 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -77.9 | -29.1 | 169.5 | -169.2 | -91.7 | 0 | 0 | 0 | 112.2 | E113 N114 D115 L120 K125 R128 | E113-Y117 WeakPolarHBondContact O-CB 3.35Å; E113-Y117 PolarHBondContact O-N 3.26Å; N114-Y117 PolarHBondContact O-N 3.21Å; D115-Y117 VanDerWaalsContact C-N 3.27Å; D115-Y117 PolarHBondContact O-N 3.31Å; Y117-L120 HydrophobicContact CD2-CD1 3.69Å; Y117-L120 HydrophobicContact CE2-CD1 4.07Å; Y117-L120 HydrophobicContact CG-CD1 4.15Å; Y117-K125 HydrophobicContact CD1-CG 4.47Å; Y117-K125 HydrophobicContact CE1-CB 4.38Å; Y117-K125 HydrophobicContact CE1-CD 4.38Å; Y117-K125 HydrophobicContact CE1-CG 3.85Å; Y117-K125 WeakPolarHBondContact O-CE 3.4Å; Y117-K125 PolarHBondContact OH-O 3.26Å; Y117-R128 HydrophobicContact CE2-CB 4.35Å |
| 118 | S | 83.9 | Confident | 83.2 | Confident | 63 Ų | 63 | 90.9 Ų | 90.9 | 44% | 0.441 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 178.5 | -61 | 0 | 0 | 0 | 0 | 111.7 | N114 D115 L120 K125 | N114-S118 WeakPolarHBondContact O-CB 3.41Å; N114-S118 PolarHBondContact O-N 2.82Å; N114-S118 PolarHBondContact O-OG 3.5Å; D115-S118 WeakPolarHBondContact O-CA 3.43Å; D115-S118 VanDerWaalsContact O-CB 3.31Å; D115-S118 WeakPolarHBondContact O-CB 3.13Å; D115-S118 PolarHBondContact O-N 3.02Å; S118-L120 PolarHBondContact O-N 2.64Å; S118-K125 PolarHBondContact O-NZ 3.03Å |
| 119 | D | 89.9 | Confident | 84.2 | Confident | 147 Ų | 147 | 90.1 Ų | 90.1 | 79% | 0.786 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -66 | -16.3 | 178.6 | -71.7 | -21.7 | 0 | 0 | 0 | 114.5 | D115 | D115-D119 PolarHBondContact O-N 3.49Š|
| 120 | L | 90.4 | Very high | 85.5 | Confident | 26 Ų | 26 | 88.4 Ų | 88.4 | 14% | 0.136 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -66.5 | 150 | 177.4 | -59.5 | 173.7 | 0 | 0 | 0 | 112.1 | A116 Y117 S118 E124 K125 R128 | A116-L120 WeakPolarHBondContact O-CG 3.46Å; Y117-L120 HydrophobicContact CD2-CD1 3.69Å; Y117-L120 HydrophobicContact CE2-CD1 4.07Å; Y117-L120 HydrophobicContact CG-CD1 4.15Å; S118-L120 PolarHBondContact O-N 2.64Å; L120-E124 HydrophobicContact CB-CB 4.09Å; L120-E124 HydrophobicContact CD2-CB 4.49Å; L120-K125 HydrophobicContact CB-CD 4.49Å; L120-K125 HydrophobicContact CB-CG 3.93Å; L120-K125 HydrophobicContact CD1-CG 4.34Å; L120-K125 VanDerWaalsContact O-CE 3.24Å; L120-K125 WeakPolarHBondContact O-CE 3.38Å; L120-K125 PolarHBondContact O-NZ 3.07Å; L120-R128 VanDerWaalsContact CD1-CZ 3.42Å |
| 121 | S | 91.3 | Very high | 86.5 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | trans | -68.4 | 158.9 | 166.6 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | G123 E124 K125 | S121-G123 VanDerWaalsContact C-N 3.28Å; S121-G123 PolarHBondContact O-N 2.83Å; S121-E124 WeakPolarHBondContact CB-OE2 2.98Å; S121-E124 PolarHBondContact N-OE2 3.31Å; S121-E124 WeakPolarHBondContact O-CB 3.24Å; S121-E124 PolarHBondContact O-N 3.26Å; S121-E124 VanDerWaalsContact OG-CG 3.3Å; S121-E124 WeakPolarHBondContact OG-CG 3.34Å; S121-E124 PolarHBondContact OG-OE2 2.91Å; S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 3.28Å | ||
| 122 | D | 92.6 | Very high | 87.4 | Confident | 125 Ų | 125 | 80.8 Ų | 80.8 | 67% | 0.668 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.4 | -31.9 | -177.2 | -63.4 | -34.3 | 0 | 0 | 0 | 112.8 | E124 K125 E126 | D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.05Å; D122-K125 WeakPolarHBondContact O-CB 3.13Å; D122-K125 PolarHBondContact O-N 2.92Å; D122-K125 IonicContact OD1-NZ 3.88Å; D122-E126 WeakPolarHBondContact O-CB 3.32Å; D122-E126 PolarHBondContact O-N 3.32Å |
| 123 | G | 93.1 | Very high | 88.5 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 46% | 0.464 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.7 | -31 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S121 A127 | S121-G123 VanDerWaalsContact C-N 3.28Å; S121-G123 PolarHBondContact O-N 2.83Å; G123-A127 VanDerWaalsContact O-CB 3.27Å; G123-A127 WeakPolarHBondContact O-CB 3.4Å; G123-A127 PolarHBondContact O-N 3.01Å |
| 124 | E | 90.3 | Very high | 89.4 | Confident | 84 Ų | 84 | 81.6 Ų | 81.6 | 39% | 0.393 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -76.8 | -27 | 174 | -75.7 | 174.3 | 94.4 | 0 | 0 | 113.3 | L120 S121 D122 R128 | L120-E124 HydrophobicContact CB-CB 4.09Å; L120-E124 HydrophobicContact CD2-CB 4.49Å; S121-E124 WeakPolarHBondContact CB-OE2 2.98Å; S121-E124 PolarHBondContact N-OE2 3.31Å; S121-E124 WeakPolarHBondContact O-CB 3.24Å; S121-E124 PolarHBondContact O-N 3.26Å; S121-E124 VanDerWaalsContact OG-CG 3.3Å; S121-E124 WeakPolarHBondContact OG-CG 3.34Å; S121-E124 PolarHBondContact OG-OE2 2.91Å; D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.05Å; E124-R128 WeakPolarHBondContact O-CG 3.49Å; E124-R128 PolarHBondContact O-N 2.85Å; E124-R128 PolarHBondContact O-NH1 3.37Å |
| 125 | K | 93.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 84 Ų | 84 | 20% | 0.204 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -72.3 | -45.5 | 169.7 | -68.8 | 163.2 | 172.6 | 144.2 | 0 | 110.1 | Y117 S118 L120 S121 D122 R128 F129 | Y117-K125 HydrophobicContact CD1-CG 4.47Å; Y117-K125 HydrophobicContact CE1-CB 4.38Å; Y117-K125 HydrophobicContact CE1-CD 4.38Å; Y117-K125 HydrophobicContact CE1-CG 3.85Å; Y117-K125 WeakPolarHBondContact O-CE 3.4Å; Y117-K125 PolarHBondContact OH-O 3.26Å; S118-K125 PolarHBondContact O-NZ 3.03Å; L120-K125 HydrophobicContact CB-CD 4.49Å; L120-K125 HydrophobicContact CB-CG 3.93Å; L120-K125 HydrophobicContact CD1-CG 4.34Å; L120-K125 VanDerWaalsContact O-CE 3.24Å; L120-K125 WeakPolarHBondContact O-CE 3.38Å; L120-K125 PolarHBondContact O-NZ 3.07Å; S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 3.28Å; D122-K125 WeakPolarHBondContact O-CB 3.13Å; D122-K125 PolarHBondContact O-N 2.92Å; D122-K125 IonicContact OD1-NZ 3.88Å; K125-R128 PolarHBondContact O-N 3.36Å; K125-F129 PolarHBondContact O-N 2.93Å |
| 126 | E | 93.3 | Very high | 90.9 | Very high | 141 Ų | 141 | 86.3 Ų | 86.3 | 66% | 0.659 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 174.5 | -175.4 | 171.7 | -150.2 | 0 | 0 | 112 | D122 R128 F129 A130 | D122-E126 WeakPolarHBondContact O-CB 3.32Å; D122-E126 PolarHBondContact O-N 3.32Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 3.4Å; E126-F129 WeakPolarHBondContact O-CB 3.41Å; E126-F129 PolarHBondContact O-N 3.29Å; E126-A130 WeakPolarHBondContact O-CB 3.3Å; E126-A130 PolarHBondContact O-N 3.49Å |
| 127 | A | 92.4 | Very high | 91.6 | Very high | 60 Ų | 60 | 88.8 Ų | 88.8 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G123 A131 | G123-A127 VanDerWaalsContact O-CB 3.27Å; G123-A127 WeakPolarHBondContact O-CB 3.4Å; G123-A127 PolarHBondContact O-N 3.01Å; A127-A131 WeakPolarHBondContact O-CB 3.2Å; A127-A131 PolarHBondContact O-N 3.06Å |
| 128 | R | 92.1 | Very high | 92 | Very high | 121 Ų | 121 | 86.4 Ų | 86.4 | 46% | 0.457 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 174.2 | -77.6 | 173.8 | 178.4 | 78.4 | -9.6 | 112.2 | Y117 L120 E124 K125 E126 A131 G132 | Y117-R128 HydrophobicContact CE2-CB 4.35Å; L120-R128 VanDerWaalsContact CD1-CZ 3.42Å; E124-R128 WeakPolarHBondContact O-CG 3.49Å; E124-R128 PolarHBondContact O-N 2.85Å; E124-R128 PolarHBondContact O-NH1 3.37Å; K125-R128 PolarHBondContact O-N 3.36Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 3.4Å; R128-A131 PolarHBondContact O-N 3.03Å; R128-G132 PolarHBondContact O-N 3.32Å |
| 129 | F | 94 | Very high | 92 | Very high | 138 Ų | 138 | 88 Ų | 88 | 61% | 0.605 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -50.4 | 173.7 | 173.3 | -101.9 | 0 | 0 | 0 | 111.4 | K125 E126 A131 G132 I133 | K125-F129 PolarHBondContact O-N 2.93Å; E126-F129 WeakPolarHBondContact O-CB 3.41Å; E126-F129 PolarHBondContact O-N 3.29Å; F129-A131 VanDerWaalsContact C-N 3.34Å; F129-A131 PolarHBondContact O-N 3.43Å; F129-G132 PolarHBondContact O-N 2.96Å; F129-G132 VanDerWaalsContact O-N 3.1Å; F129-I133 HydrophobicContact CD1-CG1 4.44Å; F129-I133 HydrophobicContact CD2-CG1 4.45Å; F129-I133 HydrophobicContact CE1-CG1 3.99Å; F129-I133 HydrophobicContact CE2-CD1 4.03Å; F129-I133 HydrophobicContact CE2-CG1 4.01Å; F129-I133 HydrophobicContact CZ-CD1 3.96Å; F129-I133 HydrophobicContact CZ-CG1 3.76Å; F129-I133 WeakPolarHBondContact O-CG1 3.43Å; F129-I133 PolarHBondContact O-N 3.3Å |
| 130 | A | 95.8 | Very high | 91.9 | Very high | 46 Ų | 46 | 83.6 Ų | 83.6 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E126 G132 I133 L134 | E126-A130 WeakPolarHBondContact O-CB 3.3Å; E126-A130 PolarHBondContact O-N 3.49Å; A130-G132 PolarHBondContact O-N 2.99Å; A130-I133 PolarHBondContact O-N 2.94Å; A130-L134 WeakPolarHBondContact O-CB 3.44Å; A130-L134 WeakPolarHBondContact O-CG 3.33Å; A130-L134 PolarHBondContact O-N 2.84Å |
| 131 | A | 92.2 | Very high | 91.8 | Very high | 55 Ų | 55 | 86.9 Ų | 86.9 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A127 R128 F129 L134 Q135 | A127-A131 WeakPolarHBondContact O-CB 3.2Å; A127-A131 PolarHBondContact O-N 3.06Å; R128-A131 PolarHBondContact O-N 3.03Å; F129-A131 VanDerWaalsContact C-N 3.34Å; F129-A131 PolarHBondContact O-N 3.43Å; A131-L134 PolarHBondContact O-N 2.85Å; A131-Q135 WeakPolarHBondContact O-CB 3.47Å; A131-Q135 PolarHBondContact O-N 3.07Å |
| 132 | G | 92.6 | Very high | 91.5 | Very high | 28 Ų | 28 | 86.7 Ų | 86.7 | 29% | 0.289 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R128 F129 A130 Q135 Q136 | R128-G132 PolarHBondContact O-N 3.32Å; F129-G132 PolarHBondContact O-N 2.96Å; F129-G132 VanDerWaalsContact O-N 3.1Å; A130-G132 PolarHBondContact O-N 2.99Å; G132-Q135 PolarHBondContact O-N 2.82Å; G132-Q136 WeakPolarHBondContact O-CG 3.5Å; G132-Q136 PolarHBondContact O-N 3.49Å |
| 133 | I | 94 | Very high | 91.3 | Very high | 81 Ų | 81 | 83.7 Ų | 83.7 | 42% | 0.415 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.5 | -63.7 | -61.9 | 0 | 0 | 0 | 111 | F129 A130 Q135 Q136 F137 | F129-I133 HydrophobicContact CD1-CG1 4.44Å; F129-I133 HydrophobicContact CD2-CG1 4.45Å; F129-I133 HydrophobicContact CE1-CG1 3.99Å; F129-I133 HydrophobicContact CE2-CD1 4.03Å; F129-I133 HydrophobicContact CE2-CG1 4.01Å; F129-I133 HydrophobicContact CZ-CD1 3.96Å; F129-I133 HydrophobicContact CZ-CG1 3.76Å; F129-I133 WeakPolarHBondContact O-CG1 3.43Å; F129-I133 PolarHBondContact O-N 3.3Å; A130-I133 PolarHBondContact O-N 2.94Å; I133-Q135 VanDerWaalsContact C-N 3.33Å; I133-Q135 PolarHBondContact O-N 2.98Å; I133-Q136 PolarHBondContact O-N 3.42Å; I133-F137 PolarHBondContact O-N 3.31Å |
| 134 | L | 92.4 | Very high | 90.7 | Very high | 120 Ų | 120 | 87.4 Ų | 87.4 | 63% | 0.628 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 174.9 | -72.6 | 169.1 | 0 | 0 | 0 | 112.3 | A130 A131 F137 A138 | A130-L134 WeakPolarHBondContact O-CB 3.44Å; A130-L134 WeakPolarHBondContact O-CG 3.33Å; A130-L134 PolarHBondContact O-N 2.84Å; A131-L134 PolarHBondContact O-N 2.85Å; L134-F137 PolarHBondContact O-N 2.96Å; L134-A138 WeakPolarHBondContact O-CB 3.33Å; L134-A138 PolarHBondContact O-N 2.83Å |
| 135 | Q | 91.6 | Very high | 90.1 | Very high | 129 Ų | 129 | 88.2 Ų | 88.2 | 60% | 0.603 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 174 | -173.4 | -179.2 | 9.9 | 0 | 0 | 111.6 | A131 G132 I133 A138 I139 | A131-Q135 WeakPolarHBondContact O-CB 3.47Å; A131-Q135 PolarHBondContact O-N 3.07Å; G132-Q135 PolarHBondContact O-N 2.82Å; I133-Q135 VanDerWaalsContact C-N 3.33Å; I133-Q135 PolarHBondContact O-N 2.98Å; Q135-A138 PolarHBondContact O-N 3.48Å; Q135-I139 HydrophobicContact CG-CD1 4.02Å; Q135-I139 VanDerWaalsContact O-CG1 3.27Å; Q135-I139 WeakPolarHBondContact O-CG1 3.22Å; Q135-I139 PolarHBondContact O-N 3.1Å |
| 136 | Q | 95.4 | Very high | 89.3 | Confident | 134 Ų | 134 | 88.8 Ų | 88.8 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 174.3 | -74.1 | -177 | -14.3 | 0 | 0 | 112 | G132 I133 I139 S140 | G132-Q136 WeakPolarHBondContact O-CG 3.5Å; G132-Q136 PolarHBondContact O-N 3.49Å; I133-Q136 PolarHBondContact O-N 3.42Å; Q136-I139 PolarHBondContact O-N 2.96Å; Q136-S140 WeakPolarHBondContact O-CB 3.27Å; Q136-S140 PolarHBondContact O-N 3.35Å; Q136-S140 PolarHBondContact O-OG 3.03Å |
| 137 | F | 91.1 | Very high | 88.5 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -52.2 | 174.8 | -174.6 | -90.1 | 0 | 0 | 0 | 111.2 | I133 L134 I139 S140 E141 | I133-F137 PolarHBondContact O-N 3.31Å; L134-F137 PolarHBondContact O-N 2.96Å; F137-I139 VanDerWaalsContact C-N 3.32Å; F137-I139 PolarHBondContact O-N 3.21Å; F137-S140 CarbonylContact O-C 3.58Å; F137-S140 WeakPolarHBondContact O-CA 3.32Å; F137-S140 PolarHBondContact O-N 2.94Å; F137-S140 PolarHBondContact O-OG 3.26Å; F137-E141 HydrophobicContact CE1-CB 4.46Å; F137-E141 WeakPolarHBondContact CE1-OE2 3.45Å; F137-E141 PolarHBondContact O-N 3.11Å |
| 138 | A | 90 | Very high | 87.1 | Confident | 53 Ų | 53 | 92 Ų | 92 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L134 Q135 A142 | L134-A138 WeakPolarHBondContact O-CB 3.33Å; L134-A138 PolarHBondContact O-N 2.83Å; Q135-A138 PolarHBondContact O-N 3.48Å; A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 3.4Å |
| 139 | I | 84.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 91.1 Ų | 91.1 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 172.8 | -69.2 | 165.7 | 0 | 0 | 0 | 110.7 | Q135 Q136 F137 T143 | Q135-I139 HydrophobicContact CG-CD1 4.02Å; Q135-I139 VanDerWaalsContact O-CG1 3.27Å; Q135-I139 WeakPolarHBondContact O-CG1 3.22Å; Q135-I139 PolarHBondContact O-N 3.1Å; Q136-I139 PolarHBondContact O-N 2.96Å; F137-I139 VanDerWaalsContact C-N 3.32Å; F137-I139 PolarHBondContact O-N 3.21Å; I139-T143 WeakPolarHBondContact O-CB 3.35Å; I139-T143 PolarHBondContact O-N 2.88Å; I139-T143 PolarHBondContact O-OG1 2.98Å |
| 140 | S | 86.4 | Confident | 83.9 | Confident | 53 Ų | 53 | 92 Ų | 92 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 178.2 | 75.5 | 0 | 0 | 0 | 0 | 112.7 | Q136 F137 T143 L144 | Q136-S140 WeakPolarHBondContact O-CB 3.27Å; Q136-S140 PolarHBondContact O-N 3.35Å; Q136-S140 PolarHBondContact O-OG 3.03Å; F137-S140 CarbonylContact O-C 3.58Å; F137-S140 WeakPolarHBondContact O-CA 3.32Å; F137-S140 PolarHBondContact O-N 2.94Å; F137-S140 PolarHBondContact O-OG 3.26Å; S140-T143 PolarHBondContact O-N 3Å; S140-L144 WeakPolarHBondContact O-CB 3.45Å; S140-L144 VanDerWaalsContact O-CG 3.32Å; S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 2.92Å |
| 141 | E | 89 | Confident | 82 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 175.5 | -174.3 | -176.8 | 173.7 | 0 | 0 | 110.7 | F137 T143 L144 L145 | F137-E141 HydrophobicContact CE1-CB 4.46Å; F137-E141 WeakPolarHBondContact CE1-OE2 3.45Å; F137-E141 PolarHBondContact O-N 3.11Å; E141-T143 VanDerWaalsContact C-N 3.25Å; E141-T143 PolarHBondContact O-N 3.12Å; E141-L144 PolarHBondContact O-N 3.21Å; E141-L145 HydrophobicContact CG-CD1 4.04Å; E141-L145 WeakPolarHBondContact O-CB 3.27Å; E141-L145 VanDerWaalsContact O-CG 3.28Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 3.44Å |
| 142 | A | 85.6 | Confident | 80.3 | Confident | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.4 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A138 A146 | A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 3.4Å; A142-A146 VanDerWaalsContact O-CB 3.31Å; A142-A146 WeakPolarHBondContact O-CB 3.42Å; A142-A146 PolarHBondContact O-N 3.34Å |
| 143 | T | 87.4 | Confident | 78.2 | Confident | 62 Ų | 62 | 104 Ų | 104 | 38% | 0.38 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.9 | -47.3 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | I139 S140 E141 L145 A146 W147 | I139-T143 WeakPolarHBondContact O-CB 3.35Å; I139-T143 PolarHBondContact O-N 2.88Å; I139-T143 PolarHBondContact O-OG1 2.98Å; S140-T143 PolarHBondContact O-N 3Å; E141-T143 VanDerWaalsContact C-N 3.25Å; E141-T143 PolarHBondContact O-N 3.12Å; T143-L145 PolarHBondContact O-N 3.4Å; T143-A146 PolarHBondContact O-N 3.22Å; T143-W147 PolarHBondContact O-N 2.95Å |
| 144 | L | 79.9 | Confident | 75.7 | Confident | 122 Ų | 122 | 104.8 Ų | 104.8 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.9 | -39.7 | 178.6 | -73.9 | 168.6 | 0 | 0 | 0 | 112 | S140 E141 W147 S148 | S140-L144 WeakPolarHBondContact O-CB 3.45Å; S140-L144 VanDerWaalsContact O-CG 3.32Å; S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 2.92Å; E141-L144 PolarHBondContact O-N 3.21Å; L144-W147 PolarHBondContact O-N 3.47Å; L144-S148 PolarHBondContact O-N 2.78Å; L144-S148 PolarHBondContact O-OG 3.02Å |
| 145 | L | 79.5 | Confident | 73.7 | Confident | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -39.5 | 173.6 | -70.3 | 170.8 | 0 | 0 | 0 | 112.3 | E141 T143 W147 S148 S149 | E141-L145 HydrophobicContact CG-CD1 4.04Å; E141-L145 WeakPolarHBondContact O-CB 3.27Å; E141-L145 VanDerWaalsContact O-CG 3.28Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 3.44Å; T143-L145 PolarHBondContact O-N 3.4Å; L145-W147 VanDerWaalsContact C-N 3.29Å; L145-W147 PolarHBondContact O-N 3.39Å; L145-S148 PolarHBondContact O-OG 3.45Å; L145-S149 WeakPolarHBondContact O-CB 3.48Å; L145-S149 PolarHBondContact O-N 3.13Å |
| 146 | A | 75.1 | Confident | 71.5 | Confident | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.1 | -30.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A142 T143 | A142-A146 VanDerWaalsContact O-CB 3.31Å; A142-A146 WeakPolarHBondContact O-CB 3.42Å; A142-A146 PolarHBondContact O-N 3.34Å; T143-A146 PolarHBondContact O-N 3.22Å |
| 147 | W | 77.4 | Confident | 69.4 | Low | 190 Ų | 190 | 109.6 Ų | 109.6 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -79.8 | -43.3 | 177.2 | -74.6 | 41.3 | 0 | 0 | 0 | 111.7 | T143 L144 L145 S149 M150 | T143-W147 PolarHBondContact O-N 2.95Å; L144-W147 PolarHBondContact O-N 3.47Å; L145-W147 VanDerWaalsContact C-N 3.29Å; L145-W147 PolarHBondContact O-N 3.39Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 3.45Å; W147-M150 PolarHBondContact O-N 2.94Å; W147-M150 VanDerWaalsContact O-N 3.14Å |
| 148 | S | 63.6 | Low | 66.7 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.3 | -33.4 | 175.8 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | L144 L145 M150 D151 | L144-S148 PolarHBondContact O-N 2.78Å; L144-S148 PolarHBondContact O-OG 3.02Å; L145-S148 PolarHBondContact O-OG 3.45Å; S148-M150 PolarHBondContact O-N 3.46Å; S148-M150 VanDerWaalsContact O-N 3.08Å; S148-D151 PolarHBondContact O-N 2.98Å |
| 149 | S | 61.6 | Low | 64.7 | Low | 102 Ų | 102 | 109.8 Ų | 109.8 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -8.9 | 172.4 | -174.9 | 0 | 0 | 0 | 0 | 114.3 | L145 W147 | L145-S149 WeakPolarHBondContact O-CB 3.48Å; L145-S149 PolarHBondContact O-N 3.13Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 3.45Å |
| 150 | M | 57.6 | Low | 62.7 | Low | 155 Ų | 155 | 112.6 Ų | 112.6 | 76% | 0.764 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -6 | 179.5 | -168.7 | 155.8 | 50.7 | 0 | 0 | 113.3 | W147 S148 G152 | W147-M150 PolarHBondContact O-N 2.94Å; W147-M150 VanDerWaalsContact O-N 3.14Å; S148-M150 PolarHBondContact O-N 3.46Å; S148-M150 VanDerWaalsContact O-N 3.08Å; M150-G152 PolarHBondContact O-N 3.01Å; M150-G152 VanDerWaalsContact O-N 3.16Å |
| 151 | D | 55.6 | Low | 60.8 | Low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -82.9 | 91.2 | 170.8 | -149.4 | -11.3 | 0 | 0 | 0 | 109.3 | S148 E153 | S148-D151 PolarHBondContact O-N 2.98Å; D151-E153 VanDerWaalsContact C-N 3.29Å; D151-E153 PolarHBondContact O-N 3.25Å |
| 152 | G | 55.6 | Low | 58.2 | Low | 68 Ų | 68 | 117.9 Ų | 117.9 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | -77.4 | 53.2 | -159 | 0 | 0 | 0 | 0 | 0 | 116.6 | M150 S154 | M150-G152 PolarHBondContact O-N 3.01Å; M150-G152 VanDerWaalsContact O-N 3.16Å; G152-S154 PolarHBondContact O-N 2.74Å | ||
| 153 | E | 48.8 | Very low | 55.9 | Low | 179 Ų | 179 | 120.7 Ų | 120.7 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | trans | -73.7 | 76.7 | 172.2 | 56.6 | -177.5 | 161.5 | 0 | 0 | 112.9 | D151 | D151-E153 VanDerWaalsContact C-N 3.29Å; D151-E153 PolarHBondContact O-N 3.25Å | ||
| 154 | S | 42.3 | Very low | 54.1 | Low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -48.6 | 127.8 | 172.1 | 179 | 0 | 0 | 0 | 0 | 111.5 | G152 R156 | G152-S154 PolarHBondContact O-N 2.74Å; S154-R156 VanDerWaalsContact C-N 3.35Å; S154-R156 PolarHBondContact O-N 3.3Å | ||
| 155 | P | 50.5 | Low | 52 | Low | 120 Ų | 120 | 122.2 Ų | 122.2 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -69.5 | 89.6 | -178.4 | 28.3 | -34.9 | 0 | 0 | 0 | 110.6 | S157 | P155-S157 PolarHBondContact O-N 3.03Š| ||
| 156 | R | 44.8 | Very low | 50.4 | Low | 238 Ų | 238 | 125.4 Ų | 125.4 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | -55.3 | 125.6 | 170.3 | -93.7 | -173.5 | 166.9 | -172.4 | -2.4 | 109.4 | S154 G158 | S154-R156 VanDerWaalsContact C-N 3.35Å; S154-R156 PolarHBondContact O-N 3.3Å; R156-G158 VanDerWaalsContact C-N 3.34Å; R156-G158 PolarHBondContact O-N 3.39Å | ||
| 157 | S | 50 | Low | 48.7 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | -60 | 82.3 | -172.4 | -50.2 | 0 | 0 | 0 | 0 | 114.4 | P155 S159 | P155-S157 PolarHBondContact O-N 3.03Å; S157-S159 PolarHBondContact O-N 3.36Å | ||
| 158 | G | 36.3 | Very low | 47.1 | Very low | 62 Ų | 62 | 125.2 Ų | 125.2 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | -85.4 | 45.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | R156 N160 | R156-G158 VanDerWaalsContact C-N 3.34Å; R156-G158 PolarHBondContact O-N 3.39Å; G158-N160 PolarHBondContact O-N 3Å | ||
| 159 | S | 46.1 | Very low | 46.2 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -67.6 | 94.6 | -174.2 | -170.5 | 0 | 0 | 0 | 0 | 112 | S157 | S157-S159 PolarHBondContact O-N 3.36Š| ||
| 160 | N | 43.9 | Very low | 45.4 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -125.6 | 12.7 | 173.4 | -74.7 | -60.9 | 0 | 0 | 0 | 113 | G158 G162 | G158-N160 PolarHBondContact O-N 3Å; N160-G162 PolarHBondContact O-N 3.26Å | ||
| 161 | Q | 45.3 | Very low | 44.4 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -80.9 | 110.8 | 162.9 | -67.7 | -157.1 | 14.3 | 0 | 0 | 108.6 | ||
| 162 | G | 36.2 | Very low | 43.7 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -64.4 | 153.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N160 | N160-G162 PolarHBondContact O-N 3.26Š| ||
| 163 | S | 35.9 | Very low | 43.1 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -52.6 | 141.4 | -176.8 | -178 | 0 | 0 | 0 | 0 | 114 | A165 | S163-A165 PolarHBondContact O-N 3.43Š| ||
| 164 | V | 49.2 | Very low | 42.8 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -35.2 | 127.7 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 165 | A | 37.8 | Very low | 43 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | trans | -138.2 | 46.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S163 L167 | S163-A165 PolarHBondContact O-N 3.43Å; A165-L167 PolarHBondContact O-N 2.99Å; A165-L167 VanDerWaalsContact O-N 3.14Å | ||
| 166 | H | 44.1 | Very low | 42.8 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | 27.3 | 73.7 | 146.5 | -162.6 | -68.8 | 0 | 0 | 0 | 117.9 | ||||
| 167 | L | 41 | Very low | 42.8 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -117.3 | 79.9 | 169.5 | -75.3 | -179 | 0 | 0 | 0 | 112.5 | A165 | A165-L167 PolarHBondContact O-N 2.99Å; A165-L167 VanDerWaalsContact O-N 3.14Å | ||
| 168 | S | 42.7 | Very low | 42.5 | Very low | 81 Ų | 81 | 131 Ų | 131 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | trans | 49.7 | 116.4 | 143.1 | -54.6 | 0 | 0 | 0 | 0 | 120.2 | V170 | S168-V170 PolarHBondContact O-N 3.36Š| ||
| 169 | E | 44.8 | Very low | 42.6 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -53 | 10.4 | 165.8 | -160.6 | 167.7 | -162.8 | 0 | 0 | 116.1 | ||
| 170 | V | 44.9 | Very low | 42.6 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 14.5 | -167.3 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | S168 | S168-V170 PolarHBondContact O-N 3.36Š|
| 171 | N | 37.6 | Very low | 42.6 | Very low | 111 Ų | 111 | 139 Ų | 139 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | 19.7 | 176.8 | -162.9 | 25.1 | 0 | 0 | 0 | 113.2 | E173 | N171-E173 VanDerWaalsContact C-N 3.29Å; N171-E173 PolarHBondContact O-N 3.46Å |
| 172 | Q | 39.8 | Very low | 42.5 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -15.4 | -175.1 | -154.1 | 78.1 | 97 | 0 | 0 | 113.4 | ||
| 173 | E | 43.9 | Very low | 42.4 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 2.6 | -171.3 | 64.7 | -175.6 | 161.6 | 0 | 0 | 115.7 | N171 | N171-E173 VanDerWaalsContact C-N 3.29Å; N171-E173 PolarHBondContact O-N 3.46Å |
| 174 | S | 41 | Very low | 42.3 | Very low | 84 Ų | 84 | 146 Ų | 146 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -104.4 | -7.5 | -169.6 | -154.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 175 | I | 46.3 | Very low | 41.5 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -111.8 | 26.1 | -175.6 | 45.4 | 174 | 0 | 0 | 0 | 114.2 | ||
| 176 | T | 46.5 | Very low | 41.8 | Very low | 128 Ų | 128 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -104.4 | 24.1 | 173 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 177 | S | 46.5 | Very low | 41.5 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -148.4 | 142.7 | 167.4 | 76.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 178 | R | 42.7 | Very low | 41.3 | Very low | 224 Ų | 224 | 142.7 Ų | 142.7 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 58.7 | 82.1 | 166.3 | -163 | -177.3 | -147.9 | 108.4 | 6.7 | 114.3 | ||
| 179 | D | 38.5 | Very low | 41.1 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | -156.9 | 118.5 | 51.5 | -75.9 | -39.4 | 0 | 0 | 0 | 111.5 | |||||
| 180 | Q | 45.5 | Very low | 40.7 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -89.6 | 165.2 | 163.5 | -71 | 180 | -13.7 | 0 | 0 | 109.6 | ||||
| 181 | I | 44.4 | Very low | 40.7 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 82% | 0.821 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 80.7 | 139.2 | -175.3 | -48.7 | 158.5 | 0 | 0 | 0 | 111.6 | ||
| 182 | L | 42.9 | Very low | 41 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 61.7 | 69.5 | -177.4 | -69.2 | 153.3 | 0 | 0 | 0 | 115.5 | ||
| 183 | H | 33.8 | Very low | 41.2 | Very low | 188 Ų | 188 | 144 Ų | 144 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | -174.8 | 98.1 | 114.2 | -97.8 | -69.2 | 0 | 0 | 0 | 110.2 | |||||
| 184 | Q | 33.5 | Very low | 41.1 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -77.2 | 124.5 | 164.1 | -66 | 174.1 | 33.9 | 0 | 0 | 107.7 | ||||
| 185 | S | 33.6 | Very low | 41.2 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -92.7 | 98.3 | 169.1 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | A187 | S185-A187 PolarHBondContact O-N 2.89Š| ||
| 186 | S | 44.9 | Very low | 41.1 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -71.8 | 105.2 | -175.8 | -55 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 187 | A | 35.8 | Very low | 40.9 | Very low | 61 Ų | 61 | 144.9 Ų | 144.9 | 50% | 0.504 | 75% | 0.754 | S | S | . | * | trans | -142.7 | 129.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S185 V189 | S185-A187 PolarHBondContact O-N 2.89Å; A187-V189 PolarHBondContact O-N 3.41Å | ||
| 188 | E | 38.3 | Very low | 40.6 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 25.7 | 55.7 | 166.9 | -58 | 85.4 | -99.9 | 0 | 0 | 120.1 | ||
| 189 | V | 38.7 | Very low | 40.4 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | -120.4 | 102.1 | 160.1 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | A187 | A187-V189 PolarHBondContact O-N 3.41Š| ||
| 190 | W | 35.9 | Very low | 40.8 | Very low | 222 Ų | 222 | 144 Ų | 144 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -69.8 | 142.6 | 164.3 | -79 | 88.5 | 0 | 0 | 0 | 110.1 | H192 | W190-H192 VanDerWaalsContact C-N 3.33Å; W190-H192 PolarHBondContact O-N 3.36Å | ||
| 191 | P | 43.9 | Very low | 40.5 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 52% | 0.519 | 75% | 0.754 | S | S | . | * | trans | -82.7 | 64.4 | -163 | 34.2 | -38.4 | 0 | 0 | 0 | 114.1 | T193 Y194 | P191-T193 PolarHBondContact O-N 2.94Å; P191-Y194 PolarHBondContact O-N 2.93Å | ||
| 192 | H | 45.2 | Very low | 40.4 | Very low | 139 Ų | 139 | 142 Ų | 142 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -52.6 | -27.8 | 173.3 | -90.2 | -70.5 | 0 | 0 | 0 | 113.7 | W190 Y194 | W190-H192 VanDerWaalsContact C-N 3.33Å; W190-H192 PolarHBondContact O-N 3.36Å; H192-Y194 VanDerWaalsContact C-N 3.3Å; H192-Y194 PolarHBondContact O-N 3.35Å |
| 193 | T | 44.3 | Very low | 40 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -63.3 | -31.5 | 177.8 | -35.6 | 0 | 0 | 0 | 0 | 113.2 | P191 | P191-T193 PolarHBondContact O-N 2.94Å |
| 194 | Y | 40.9 | Very low | 40 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -80 | -25.1 | -170.3 | -136 | -84.9 | 0 | 0 | 0 | 113.5 | P191 H192 S196 | P191-Y194 PolarHBondContact O-N 2.93Å; H192-Y194 VanDerWaalsContact C-N 3.3Å; H192-Y194 PolarHBondContact O-N 3.35Å; Y194-S196 VanDerWaalsContact C-N 3.3Å |
| 195 | V | 43.7 | Very low | 40.7 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -75.6 | -21.6 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | Q197 | V195-Q197 VanDerWaalsContact C-N 3.34Å; V195-Q197 PolarHBondContact O-N 3.19Å |
| 196 | S | 44.2 | Very low | 41.2 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -3.5 | -175.4 | -61.3 | 0 | 0 | 0 | 0 | 114.7 | Y194 | Y194-S196 VanDerWaalsContact C-N 3.3Š|
| 197 | Q | 42.5 | Very low | 41.2 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -132.1 | 105.1 | 175.8 | -63.9 | -177.9 | 11.3 | 0 | 0 | 108.3 | V195 H199 | V195-Q197 VanDerWaalsContact C-N 3.34Å; V195-Q197 PolarHBondContact O-N 3.19Å; Q197-H199 VanDerWaalsContact C-N 3.28Å; Q197-H199 PolarHBondContact O-N 2.88Å |
| 198 | G | 39.1 | Very low | 41.3 | Very low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 67.5 | -165 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 199 | H | 38.7 | Very low | 41.3 | Very low | 142 Ų | 142 | 143 Ų | 143 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -105.2 | 84.6 | 177.9 | -70.7 | -64.3 | 0 | 0 | 0 | 111.7 | Q197 | Q197-H199 VanDerWaalsContact C-N 3.28Å; Q197-H199 PolarHBondContact O-N 2.88Å | ||
| 200 | Y | 46.8 | Very low | 41.2 | Very low | 231 Ų | 231 | 142.9 Ų | 142.9 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -81.3 | 114.3 | 164.7 | -67.6 | -75.6 | 0 | 0 | 0 | 110.5 | ||||
| 201 | C | 38.9 | Very low | 41 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -128.8 | 122.3 | 163.3 | -79.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 202 | L | 43.6 | Very low | 40.4 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | -72.8 | 127.1 | 179.3 | -61.6 | 165.4 | 0 | 0 | 0 | 110.6 | ||||
| 203 | S | 33.5 | Very low | 40.2 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -165.8 | 154.8 | 148 | -142.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 204 | S | 34 | Very low | 39.7 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 59.2 | 103.7 | 165.3 | -58.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 205 | S | 47.2 | Very low | 39.9 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -62.5 | -174.9 | 138.8 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 206 | D | 45.3 | Very low | 39.5 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | 79.7 | 63.2 | 171.7 | -50.2 | -20.5 | 0 | 0 | 0 | 115.4 | ||||
| 207 | A | 44.6 | Very low | 39.6 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -145.9 | 35.1 | 165 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 208 | W | 38.6 | Very low | 39.4 | Very low | 253 Ų | 253 | 138.8 Ų | 138.8 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | trans | -131.9 | 54.8 | 177.7 | -74.9 | 102.2 | 0 | 0 | 0 | 112.1 | ||||
| 209 | E | 36.8 | Very low | 39.1 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -83.7 | 122.9 | 160.5 | -68.7 | -167.8 | 131.4 | 0 | 0 | 109.2 | T211 | E209-T211 PolarHBondContact O-N 3.14Å; E209-T211 VanDerWaalsContact O-N 3.12Å | ||
| 210 | P | 37.8 | Very low | 38.8 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -67.5 | 110.5 | 170.7 | -15.5 | 30.1 | 0 | 0 | 0 | 108.8 | N212 | P210-N212 PolarHBondContact O-N 3.02Š| ||
| 211 | T | 32.4 | Very low | 38.3 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.7 | 177.5 | 39.9 | 0 | 0 | 0 | 0 | 110 | E209 | E209-T211 PolarHBondContact O-N 3.14Å; E209-T211 VanDerWaalsContact O-N 3.12Å |
| 212 | N | 31.3 | Very low | 38.1 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 155.3 | -166.1 | -163.4 | 13 | 0 | 0 | 0 | 112.6 | P210 | P210-N212 PolarHBondContact O-N 3.02Š|
| 213 | S | 39.7 | Very low | 37.6 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69 | 130.3 | -177.5 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 214 | D | 34 | Very low | 37.5 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -155.4 | 145.9 | 144.3 | -115.7 | -24.7 | 0 | 0 | 0 | 111.2 | S216 | D214-S216 PolarHBondContact O-N 3.27Š| ||
| 215 | P | 46.1 | Very low | 37.4 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -92.8 | 102.6 | -171.2 | 34.2 | -31.6 | 0 | 0 | 0 | 112.9 | ||||
| 216 | S | 34.2 | Very low | 36.9 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -86.4 | 124.6 | 168 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | D214 | D214-S216 PolarHBondContact O-N 3.27Š| ||
| 217 | G | 46.8 | Very low | 36.5 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -86.4 | 123.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 218 | V | 37.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -112.7 | 110.8 | 157.6 | -73.9 | 0 | 0 | 0 | 0 | 109.2 | S220 | V218-S220 PolarHBondContact O-N 3.12Š| ||
| 219 | A | 32.2 | Very low | 36.1 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -84.5 | 110.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | S | 33 | Very low | 36.4 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 135.3 | 166 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | V218 | V218-S220 PolarHBondContact O-N 3.12Š|
| 221 | P | 36.3 | Very low | 36.4 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 144.3 | 177.2 | 28.9 | -34.4 | 0 | 0 | 0 | 110.8 | A223 | P221-A223 PolarHBondContact O-N 3.27Š|
| 222 | P | 34.6 | Very low | 36.7 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68 | 119.7 | 176.8 | 27.7 | -33.4 | 0 | 0 | 0 | 110.4 | G224 | P222-G224 PolarHBondContact O-N 2.99Š|
| 223 | A | 33.4 | Very low | 37.1 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P221 | P221-A223 PolarHBondContact O-N 3.27Š|
| 224 | G | 31.1 | Very low | 37.3 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 144.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P222 Y226 | P222-G224 PolarHBondContact O-N 2.99Å; G224-Y226 PolarHBondContact O-N 2.98Å |
| 225 | S | 32.1 | Very low | 38.2 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.9 | 167.3 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 226 | Y | 37.1 | Very low | 38.4 | Very low | 203 Ų | 203 | 121.7 Ų | 121.7 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 133.2 | 163.8 | 62.7 | -89.4 | 0 | 0 | 0 | 109.4 | G224 | G224-Y226 PolarHBondContact O-N 2.98Š|
| 227 | I | 37.3 | Very low | 39.1 | Very low | 150 Ų | 150 | 119.1 Ų | 119.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 135.9 | 176.2 | -64.1 | -63.8 | 0 | 0 | 0 | 109 | G229 | I227-G229 PolarHBondContact O-N 3.06Š|
| 228 | M | 41.3 | Very low | 39 | Very low | 158 Ų | 158 | 118.2 Ų | 118.2 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | -66.6 | 97.6 | 170.6 | -170.7 | 74.8 | -158.7 | 0 | 0 | 109.5 | T230 | M228-T230 PolarHBondContact O-N 2.96Š| ||
| 229 | G | 33.1 | Very low | 39.5 | Very low | 59 Ų | 59 | 114.5 Ų | 114.5 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | -69.2 | 123.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I227 | I227-G229 PolarHBondContact O-N 3.06Š| ||
| 230 | T | 43.6 | Very low | 40.3 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -74.3 | 154.8 | 162 | 57.5 | 0 | 0 | 0 | 0 | 109.5 | M228 | M228-T230 PolarHBondContact O-N 2.96Š| ||
| 231 | D | 37.1 | Very low | 41 | Very low | 154 Ų | 154 | 118.7 Ų | 118.7 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | 149.4 | 144.4 | 134.3 | -73.1 | -1.1 | 0 | 0 | 0 | 111.1 | ||||
| 232 | G | 38.4 | Very low | 41.7 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | 71.2 | 80.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 233 | Y | 39.1 | Very low | 42.4 | Very low | 234 Ų | 234 | 118.9 Ų | 118.9 | 92% | 0.918 | 70% | 0.699 | S | S | * | * | trans | -93.3 | 115.5 | 165 | -153.5 | -89.4 | 0 | 0 | 0 | 109.3 | ||||
| 234 | D | 45.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | trans | -118.9 | 135 | 176.4 | -167.2 | 14.6 | 0 | 0 | 0 | 111.3 | Q236 | D234-Q236 PolarHBondContact O-N 3.24Š| ||
| 235 | G | 52.1 | Low | 44.4 | Very low | 50 Ų | 50 | 116.2 Ų | 116.2 | 52% | 0.515 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.8 | -24.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115 | A237 | G235-A237 PolarHBondContact O-N 3.08Š|
| 236 | Q | 50.5 | Low | 45.4 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.6 | -27.6 | -169.8 | -90.2 | 70.7 | -14.5 | 0 | 0 | 113.3 | D234 A238 A239 | D234-Q236 PolarHBondContact O-N 3.24Å; Q236-A238 PolarHBondContact O-N 2.88Å; Q236-A239 PolarHBondContact O-N 3.22Å |
| 237 | A | 47.8 | Very low | 46.2 | Very low | 63 Ų | 63 | 111.5 Ų | 111.5 | 52% | 0.521 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.8 | -40 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G235 A239 H240 F241 | G235-A237 PolarHBondContact O-N 3.08Å; A237-A239 VanDerWaalsContact C-N 3.29Å; A237-A239 PolarHBondContact O-N 2.98Å; A237-H240 PolarHBondContact O-N 2.94Å; A237-F241 WeakPolarHBondContact O-CD2 3.33Å |
| 238 | A | 46.4 | Very low | 47.2 | Very low | 61 Ų | 61 | 111.5 Ų | 111.5 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.1 | -30.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q236 L242 | Q236-A238 PolarHBondContact O-N 2.88Å; A238-L242 PolarHBondContact O-N 3.02Å |
| 239 | A | 48.3 | Very low | 47.8 | Very low | 62 Ų | 62 | 111 Ų | 111 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.5 | -41.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q236 A237 F241 L242 D243 | Q236-A239 PolarHBondContact O-N 3.22Å; A237-A239 VanDerWaalsContact C-N 3.29Å; A237-A239 PolarHBondContact O-N 2.98Å; A239-F241 VanDerWaalsContact C-N 3.34Å; A239-F241 PolarHBondContact O-N 3.29Å; A239-L242 PolarHBondContact O-N 3.27Å; A239-D243 PolarHBondContact O-N 2.68Å |
| 240 | H | 47.3 | Very low | 49 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.648 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.6 | -27.8 | -179.3 | -82.6 | -71 | 0 | 0 | 0 | 113.8 | A237 T244 | A237-H240 PolarHBondContact O-N 2.94Å; H240-T244 PolarHBondContact O-N 2.98Å; H240-T244 PolarHBondContact O-OG1 2.83Å |
| 241 | F | 48.8 | Very low | 49.8 | Very low | 162 Ų | 162 | 113 Ų | 113 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.4 | -32.7 | 175.5 | -82.2 | -74.2 | 0 | 0 | 0 | 113.1 | A237 A239 T244 G245 | A237-F241 WeakPolarHBondContact O-CD2 3.33Å; A239-F241 VanDerWaalsContact C-N 3.34Å; A239-F241 PolarHBondContact O-N 3.29Å; F241-T244 PolarHBondContact O-OG1 2.7Å; F241-G245 PolarHBondContact O-N 3.49Å |
| 242 | L | 51.2 | Low | 50.7 | Low | 138 Ų | 138 | 111.6 Ų | 111.6 | 72% | 0.723 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.4 | -41.4 | 176.1 | -67.9 | 170.7 | 0 | 0 | 0 | 111.9 | A238 A239 G245 S246 | A238-L242 PolarHBondContact O-N 3.02Å; A239-L242 PolarHBondContact O-N 3.27Å; L242-G245 PolarHBondContact O-N 3.33Å; L242-S246 PolarHBondContact O-N 3.44Å |
| 243 | D | 48.6 | Very low | 51.4 | Low | 110 Ų | 110 | 115.4 Ų | 115.4 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.3 | -50.8 | 178.3 | -168.6 | 48.3 | 0 | 0 | 0 | 111.4 | A239 G245 S246 Y247 | A239-D243 PolarHBondContact O-N 2.68Å; D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 PolarHBondContact O-N 2.87Å; D243-S246 PolarHBondContact O-N 2.94Å; D243-S246 PolarHBondContact O-OG 3.22Å; D243-Y247 PolarHBondContact O-N 3.12Å |
| 244 | T | 51.7 | Low | 52.1 | Low | 79 Ų | 79 | 105.9 Ų | 105.9 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -30.9 | 176.6 | 42.4 | 0 | 0 | 0 | 0 | 113.9 | H240 F241 F248 | H240-T244 PolarHBondContact O-N 2.98Å; H240-T244 PolarHBondContact O-OG1 2.83Å; F241-T244 PolarHBondContact O-OG1 2.7Å; T244-F248 PolarHBondContact O-N 3.49Å |
| 245 | G | 54.8 | Low | 52.5 | Low | 36 Ų | 36 | 102.3 Ų | 102.3 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F241 L242 D243 Y247 F248 E249 | F241-G245 PolarHBondContact O-N 3.49Å; L242-G245 PolarHBondContact O-N 3.33Å; D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 PolarHBondContact O-N 2.87Å; G245-Y247 VanDerWaalsContact C-N 3.3Å; G245-Y247 PolarHBondContact O-N 2.76Å; G245-F248 PolarHBondContact O-N 3.01Å; G245-F248 VanDerWaalsContact O-N 3.14Å; G245-E249 PolarHBondContact O-N 2.95Å |
| 246 | S | 52.9 | Low | 52.5 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -38.1 | -178.5 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | L242 D243 E249 Q250 | L242-S246 PolarHBondContact O-N 3.44Å; D243-S246 PolarHBondContact O-N 2.94Å; D243-S246 PolarHBondContact O-OG 3.22Å; S246-E249 PolarHBondContact O-N 3.45Å; S246-Q250 PolarHBondContact O-N 2.76Å; S246-Q250 VanDerWaalsContact O-N 3.08Å |
| 247 | Y | 54.7 | Low | 52.6 | Low | 157 Ų | 157 | 100 Ų | 100 | 62% | 0.616 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.4 | -37.2 | 178.1 | -154.8 | -88.1 | 0 | 0 | 0 | 111.9 | D243 G245 I251 | D243-Y247 PolarHBondContact O-N 3.12Å; G245-Y247 VanDerWaalsContact C-N 3.3Å; G245-Y247 PolarHBondContact O-N 2.76Å; Y247-I251 HydrophobicContact CD1-CG1 4.12Å; Y247-I251 HydrophobicContact CE1-CD1 4.38Å; Y247-I251 HydrophobicContact CE1-CG1 4.12Å; Y247-I251 VanDerWaalsContact O-CG1 3.27Å; Y247-I251 WeakPolarHBondContact O-CG1 3.49Å; Y247-I251 PolarHBondContact O-N 2.87Å; Y247-I251 VanDerWaalsContact O-N 3.09Å |
| 248 | F | 57.3 | Low | 52.8 | Low | 150 Ų | 150 | 105 Ų | 105 | 66% | 0.658 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -41.3 | 175.5 | -114.2 | -84.2 | 0 | 0 | 0 | 112.2 | T244 G245 I251 Q252 | T244-F248 PolarHBondContact O-N 3.49Å; G245-F248 PolarHBondContact O-N 3.01Å; G245-F248 VanDerWaalsContact O-N 3.14Å; F248-I251 PolarHBondContact O-N 3.24Å; F248-Q252 WeakPolarHBondContact O-CG 3.48Å; F248-Q252 PolarHBondContact O-N 2.98Å |
| 249 | E | 54.2 | Low | 53 | Low | 149 Ų | 149 | 106.2 Ų | 106.2 | 70% | 0.696 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 178 | -167.2 | 171.7 | -166.6 | 0 | 0 | 111.5 | G245 S246 Q252 Y253 | G245-E249 PolarHBondContact O-N 2.95Å; S246-E249 PolarHBondContact O-N 3.45Å; E249-Q252 PolarHBondContact O-N 2.84Å; E249-Y253 WeakPolarHBondContact O-CB 3.39Å; E249-Y253 PolarHBondContact O-N 3.45Å |
| 250 | Q | 59 | Low | 53.3 | Low | 135 Ų | 135 | 107.1 Ų | 107.1 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -40.4 | 173.6 | -171 | 177 | 12.6 | 0 | 0 | 112.7 | S246 S254 | S246-Q250 PolarHBondContact O-N 2.76Å; S246-Q250 VanDerWaalsContact O-N 3.08Å; Q250-S254 WeakPolarHBondContact O-CB 3.48Å; Q250-S254 PolarHBondContact O-N 3.29Å; Q250-S254 PolarHBondContact O-OG 2.9Å |
| 251 | I | 59.3 | Low | 53.5 | Low | 81 Ų | 81 | 105 Ų | 105 | 42% | 0.415 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.3 | -70.7 | -69.9 | 0 | 0 | 0 | 111 | Y247 F248 S254 S255 | Y247-I251 HydrophobicContact CD1-CG1 4.12Å; Y247-I251 HydrophobicContact CE1-CD1 4.38Å; Y247-I251 HydrophobicContact CE1-CG1 4.12Å; Y247-I251 VanDerWaalsContact O-CG1 3.27Å; Y247-I251 WeakPolarHBondContact O-CG1 3.49Å; Y247-I251 PolarHBondContact O-N 2.87Å; Y247-I251 VanDerWaalsContact O-N 3.09Å; F248-I251 PolarHBondContact O-N 3.24Å; I251-S254 PolarHBondContact O-N 2.98Å; I251-S254 PolarHBondContact O-OG 3.47Å; I251-S254 VanDerWaalsContact O-OG 3.08Å; I251-S255 WeakPolarHBondContact O-CB 3.31Å; I251-S255 PolarHBondContact O-N 2.91Å; I251-S255 PolarHBondContact O-OG 3.11Å |
| 252 | Q | 56.1 | Low | 53.8 | Low | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.9 | -52.4 | 175.2 | -77 | -74.9 | 27.2 | 0 | 0 | 111.7 | F248 E249 S254 S255 S256 | F248-Q252 WeakPolarHBondContact O-CG 3.48Å; F248-Q252 PolarHBondContact O-N 2.98Å; E249-Q252 PolarHBondContact O-N 2.84Å; Q252-S254 VanDerWaalsContact C-N 3.34Å; Q252-S254 PolarHBondContact O-N 3.39Å; Q252-S255 WeakPolarHBondContact O-CB 3.27Å; Q252-S255 PolarHBondContact O-N 2.98Å; Q252-S256 PolarHBondContact O-N 3.42Å |
| 253 | Y | 53.2 | Low | 54.2 | Low | 164 Ų | 164 | 100.1 Ų | 100.1 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.8 | -45.5 | 177.8 | -172.7 | -103.8 | 0 | 0 | 0 | 111.8 | E249 S255 S256 L257 | E249-Y253 WeakPolarHBondContact O-CB 3.39Å; E249-Y253 PolarHBondContact O-N 3.45Å; Y253-S255 PolarHBondContact O-N 3.24Å; Y253-S256 PolarHBondContact O-N 3.27Å; Y253-L257 HydrophobicContact CD1-CD1 3.95Å; Y253-L257 HydrophobicContact CD2-CD1 4.17Å; Y253-L257 HydrophobicContact CE1-CD1 3.64Å; Y253-L257 HydrophobicContact CE2-CD1 3.87Å; Y253-L257 HydrophobicContact CG-CD1 4.21Å; Y253-L257 VanDerWaalsContact O-CD1 3.28Å; Y253-L257 WeakPolarHBondContact O-CD1 3.36Å; Y253-L257 PolarHBondContact O-N 3.46Å; Y253-L257 VanDerWaalsContact O-N 3.12Å |
| 254 | S | 53.3 | Low | 54.7 | Low | 34 Ų | 34 | 98.2 Ų | 98.2 | 24% | 0.238 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -69.5 | -16.3 | 177.9 | 84.9 | 0 | 0 | 0 | 0 | 114.4 | Q250 I251 Q252 R258 | Q250-S254 WeakPolarHBondContact O-CB 3.48Å; Q250-S254 PolarHBondContact O-N 3.29Å; Q250-S254 PolarHBondContact O-OG 2.9Å; I251-S254 PolarHBondContact O-N 2.98Å; I251-S254 PolarHBondContact O-OG 3.47Å; I251-S254 VanDerWaalsContact O-OG 3.08Å; Q252-S254 VanDerWaalsContact C-N 3.34Å; Q252-S254 PolarHBondContact O-N 3.39Å; S254-R258 WeakPolarHBondContact O-CD 3.33Å; S254-R258 VanDerWaalsContact O-CG 3.32Å; S254-R258 WeakPolarHBondContact O-CG 3.44Å; S254-R258 PolarHBondContact O-NE 3.29Å |
| 255 | S | 54.5 | Low | 55.5 | Low | 50 Ų | 50 | 100.1 Ų | 100.1 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -88 | -40.3 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | I251 Q252 Y253 R258 T259 | I251-S255 WeakPolarHBondContact O-CB 3.31Å; I251-S255 PolarHBondContact O-N 2.91Å; I251-S255 PolarHBondContact O-OG 3.11Å; Q252-S255 WeakPolarHBondContact O-CB 3.27Å; Q252-S255 PolarHBondContact O-N 2.98Å; Y253-S255 PolarHBondContact O-N 3.24Å; S255-R258 PolarHBondContact O-N 3.48Å; S255-T259 PolarHBondContact O-N 3.34Å; S255-T259 VanDerWaalsContact O-N 3.08Å; S255-T259 PolarHBondContact O-OG1 2.96Å |
| 256 | S | 53.1 | Low | 56.1 | Low | 66 Ų | 66 | 104 Ų | 104 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | Q252 Y253 R258 T259 T260 | Q252-S256 PolarHBondContact O-N 3.42Å; Y253-S256 PolarHBondContact O-N 3.27Å; S256-R258 VanDerWaalsContact C-N 3.34Å; S256-R258 PolarHBondContact O-N 2.68Å; S256-T259 PolarHBondContact O-N 3.17Å; S256-T259 PolarHBondContact O-OG1 3.01Å; S256-T260 PolarHBondContact O-N 3.39Å; S256-T260 PolarHBondContact O-OG1 2.87Å |
| 257 | L | 52.6 | Low | 56.9 | Low | 73 Ų | 73 | 107.8 Ų | 107.8 | 38% | 0.382 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 174.9 | -90.9 | 79.7 | 0 | 0 | 0 | 111.9 | Y253 T259 T260 D261 | Y253-L257 HydrophobicContact CD1-CD1 3.95Å; Y253-L257 HydrophobicContact CD2-CD1 4.17Å; Y253-L257 HydrophobicContact CE1-CD1 3.64Å; Y253-L257 HydrophobicContact CE2-CD1 3.87Å; Y253-L257 HydrophobicContact CG-CD1 4.21Å; Y253-L257 VanDerWaalsContact O-CD1 3.28Å; Y253-L257 WeakPolarHBondContact O-CD1 3.36Å; Y253-L257 PolarHBondContact O-N 3.46Å; Y253-L257 VanDerWaalsContact O-N 3.12Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.27Å; L257-T260 WeakPolarHBondContact CA-OG1 3.32Å; L257-T260 PolarHBondContact O-N 2.99Å; L257-T260 PolarHBondContact O-OG1 3.25Å; L257-D261 WeakPolarHBondContact O-CB 3.49Å; L257-D261 VanDerWaalsContact O-CG 3.25Å; L257-D261 PolarHBondContact O-N 3.24Å |
| 258 | R | 51.9 | Low | 57.6 | Low | 170 Ų | 170 | 106.3 Ų | 106.3 | 64% | 0.642 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -36.3 | -179.2 | -66.9 | 174.4 | -142.8 | -109.6 | 4.8 | 112.6 | S254 S255 S256 D262 | S254-R258 WeakPolarHBondContact O-CD 3.33Å; S254-R258 VanDerWaalsContact O-CG 3.32Å; S254-R258 WeakPolarHBondContact O-CG 3.44Å; S254-R258 PolarHBondContact O-NE 3.29Å; S255-R258 PolarHBondContact O-N 3.48Å; S256-R258 VanDerWaalsContact C-N 3.34Å; S256-R258 PolarHBondContact O-N 2.68Å; R258-D262 VanDerWaalsContact O-CB 3.25Å; R258-D262 WeakPolarHBondContact O-CB 3.48Å; R258-D262 PolarHBondContact O-N 3.38Å |
| 259 | T | 51.2 | Low | 58.4 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.1 | -33.2 | 176.1 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | S255 S256 L257 M263 | S255-T259 PolarHBondContact O-N 3.34Å; S255-T259 VanDerWaalsContact O-N 3.08Å; S255-T259 PolarHBondContact O-OG1 2.96Å; S256-T259 PolarHBondContact O-N 3.17Å; S256-T259 PolarHBondContact O-OG1 3.01Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.27Å; T259-M263 VanDerWaalsContact O-CB 3.3Å; T259-M263 WeakPolarHBondContact O-CB 3.35Å; T259-M263 VanDerWaalsContact O-CG 3.26Å; T259-M263 WeakPolarHBondContact O-CG 3.47Å; T259-M263 PolarHBondContact O-N 3.03Å |
| 260 | T | 53.4 | Low | 59.5 | Low | 81 Ų | 81 | 100.4 Ų | 100.4 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 169.7 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | S256 L257 S264 | S256-T260 PolarHBondContact O-N 3.39Å; S256-T260 PolarHBondContact O-OG1 2.87Å; L257-T260 WeakPolarHBondContact CA-OG1 3.32Å; L257-T260 PolarHBondContact O-N 2.99Å; L257-T260 PolarHBondContact O-OG1 3.25Å; T260-S264 VanDerWaalsContact O-CB 3.28Å; T260-S264 WeakPolarHBondContact O-CB 3.28Å; T260-S264 PolarHBondContact O-N 2.99Å |
| 261 | D | 51.7 | Low | 60.3 | Low | 97 Ų | 97 | 97.4 Ų | 97.4 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 178.1 | -69.7 | -28.7 | 0 | 0 | 0 | 111.7 | L257 S264 L265 | L257-D261 WeakPolarHBondContact O-CB 3.49Å; L257-D261 VanDerWaalsContact O-CG 3.25Å; L257-D261 PolarHBondContact O-N 3.24Å; D261-S264 WeakPolarHBondContact O-CB 3.45Å; D261-S264 PolarHBondContact O-N 2.88Å; D261-L265 PolarHBondContact O-N 3.19Å |
| 262 | D | 54.7 | Low | 61.1 | Low | 73 Ų | 73 | 96.9 Ų | 96.9 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.3 | 172.2 | 56.9 | 0 | 0 | 0 | 112.2 | R258 L265 K266 | R258-D262 VanDerWaalsContact O-CB 3.25Å; R258-D262 WeakPolarHBondContact O-CB 3.48Å; R258-D262 PolarHBondContact O-N 3.38Å; D262-L265 PolarHBondContact O-N 2.78Å; D262-K266 WeakPolarHBondContact O-CB 3.32Å; D262-K266 WeakPolarHBondContact O-CD 3.47Å; D262-K266 VanDerWaalsContact O-CG 3.26Å; D262-K266 WeakPolarHBondContact O-CG 3.44Å; D262-K266 PolarHBondContact O-N 3.16Å; D262-K266 WeakPolarHBondContact OD1-CE 3.47Å; D262-K266 IonicContact OD1-NZ 2.65Å; D262-K266 PolarHBondContact OD1-NZ 2.86Å; D262-K266 IonicContact OD2-NZ 3.76Å; D262-K266 PolarHBondContact OD2-NZ 3.22Å |
| 263 | M | 59.1 | Low | 62.3 | Low | 124 Ų | 124 | 93.9 Ų | 93.9 | 61% | 0.611 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 173.1 | -77.3 | -65.1 | -68.3 | 0 | 0 | 112.4 | T259 K266 F267 | T259-M263 VanDerWaalsContact O-CB 3.3Å; T259-M263 WeakPolarHBondContact O-CB 3.35Å; T259-M263 VanDerWaalsContact O-CG 3.26Å; T259-M263 WeakPolarHBondContact O-CG 3.47Å; T259-M263 PolarHBondContact O-N 3.03Å; M263-K266 PolarHBondContact O-N 3.4Å; M263-F267 WeakPolarHBondContact O-CB 3.35Å; M263-F267 PolarHBondContact O-N 2.87Å |
| 264 | S | 59.7 | Low | 63.2 | Low | 70 Ų | 70 | 91.1 Ų | 91.1 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.3 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | T260 D261 K266 F267 Q268 | T260-S264 VanDerWaalsContact O-CB 3.28Å; T260-S264 WeakPolarHBondContact O-CB 3.28Å; T260-S264 PolarHBondContact O-N 2.99Å; D261-S264 WeakPolarHBondContact O-CB 3.45Å; D261-S264 PolarHBondContact O-N 2.88Å; S264-K266 PolarHBondContact O-N 3.16Å; S264-F267 PolarHBondContact O-N 3.3Å; S264-Q268 WeakPolarHBondContact O-CB 3.29Å; S264-Q268 PolarHBondContact O-N 3.28Å |
| 265 | L | 69.3 | Low | 64.4 | Low | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60 | -44.2 | 174.9 | -114 | 72.8 | 0 | 0 | 0 | 112.1 | D261 D262 Q268 A269 | D261-L265 PolarHBondContact O-N 3.19Å; D262-L265 PolarHBondContact O-N 2.78Å; L265-Q268 PolarHBondContact O-N 3.12Å; L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.34Å; L265-A269 PolarHBondContact O-N 3Å |
| 266 | K | 67.8 | Low | 65.8 | Low | 117 Ų | 117 | 99.8 Ų | 99.8 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 177.7 | -76.9 | 165.5 | 176.4 | 164.9 | 0 | 112 | D262 M263 S264 K270 | D262-K266 WeakPolarHBondContact O-CB 3.32Å; D262-K266 WeakPolarHBondContact O-CD 3.47Å; D262-K266 VanDerWaalsContact O-CG 3.26Å; D262-K266 WeakPolarHBondContact O-CG 3.44Å; D262-K266 PolarHBondContact O-N 3.16Å; D262-K266 WeakPolarHBondContact OD1-CE 3.47Å; D262-K266 IonicContact OD1-NZ 2.65Å; D262-K266 PolarHBondContact OD1-NZ 2.86Å; D262-K266 IonicContact OD2-NZ 3.76Å; D262-K266 PolarHBondContact OD2-NZ 3.22Å; M263-K266 PolarHBondContact O-N 3.4Å; S264-K266 PolarHBondContact O-N 3.16Å; K266-K270 VanDerWaalsContact O-CB 3.31Å; K266-K270 WeakPolarHBondContact O-CB 3.31Å; K266-K270 PolarHBondContact O-N 3.29Å |
| 267 | F | 69 | Low | 66.9 | Low | 144 Ų | 144 | 103.4 Ų | 103.4 | 63% | 0.632 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 175.2 | -178.1 | -112.5 | 0 | 0 | 0 | 111.8 | M263 S264 K270 I271 | M263-F267 WeakPolarHBondContact O-CB 3.35Å; M263-F267 PolarHBondContact O-N 2.87Å; S264-F267 PolarHBondContact O-N 3.3Å; F267-K270 WeakPolarHBondContact O-CB 3.22Å; F267-K270 PolarHBondContact O-N 2.9Å; F267-I271 HydrophobicContact CD1-CD1 3.88Å; F267-I271 HydrophobicContact CE1-CD1 3.49Å; F267-I271 VanDerWaalsContact CE1-CD1 3.49Å; F267-I271 HydrophobicContact CE2-CD1 4.32Å; F267-I271 HydrophobicContact CG-CD1 4.44Å; F267-I271 HydrophobicContact CZ-CD1 3.74Å; F267-I271 WeakPolarHBondContact O-CG1 3.31Å; F267-I271 PolarHBondContact O-N 2.89Å |
| 268 | Q | 68.6 | Low | 67.9 | Low | 126 Ų | 126 | 103.3 Ų | 103.3 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 177.5 | -167 | 175.7 | 41 | 0 | 0 | 112.1 | S264 L265 K270 I271 S272 | S264-Q268 WeakPolarHBondContact O-CB 3.29Å; S264-Q268 PolarHBondContact O-N 3.28Å; L265-Q268 PolarHBondContact O-N 3.12Å; Q268-K270 VanDerWaalsContact C-N 3.3Å; Q268-K270 PolarHBondContact O-N 3.32Å; Q268-I271 PolarHBondContact O-N 3.4Å; Q268-S272 PolarHBondContact O-N 3.02Å; Q268-S272 PolarHBondContact O-OG 3.04Å |
| 269 | A | 75 | Confident | 69.3 | Low | 62 Ų | 62 | 100.5 Ų | 100.5 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L265 S272 S273 | L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.34Å; L265-A269 PolarHBondContact O-N 3Å; A269-S272 PolarHBondContact O-N 3.48Å; A269-S273 PolarHBondContact O-N 2.76Å |
| 270 | K | 76.4 | Confident | 70.7 | Confident | 114 Ų | 114 | 100.1 Ų | 100.1 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 173.7 | -166.3 | 88.1 | 177.3 | -169.2 | 0 | 111.2 | K266 F267 Q268 S273 Y274 | K266-K270 VanDerWaalsContact O-CB 3.31Å; K266-K270 WeakPolarHBondContact O-CB 3.31Å; K266-K270 PolarHBondContact O-N 3.29Å; F267-K270 WeakPolarHBondContact O-CB 3.22Å; F267-K270 PolarHBondContact O-N 2.9Å; Q268-K270 VanDerWaalsContact C-N 3.3Å; Q268-K270 PolarHBondContact O-N 3.32Å; K270-S273 PolarHBondContact O-N 3.02Å; K270-S273 VanDerWaalsContact O-N 3.17Å; K270-S273 PolarHBondContact O-OG 3.16Å; K270-Y274 HydrophobicContact CD-CE2 4.22Å; K270-Y274 VanDerWaalsContact CE-OH 3.3Å; K270-Y274 WeakPolarHBondContact CE-OH 3.28Å; K270-Y274 HydrophobicContact CG-CD2 4.11Å; K270-Y274 HydrophobicContact CG-CE2 3.57Å; K270-Y274 WeakPolarHBondContact O-CD2 3.4Å; K270-Y274 PolarHBondContact O-N 3.08Å; K270-Y274 VanDerWaalsContact O-N 3.11Å |
| 271 | I | 77.1 | Confident | 72 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -49.9 | 176.4 | -70.7 | 165.8 | 0 | 0 | 0 | 110.8 | F267 Q268 S273 Y274 L275 | F267-I271 HydrophobicContact CD1-CD1 3.88Å; F267-I271 HydrophobicContact CE1-CD1 3.49Å; F267-I271 VanDerWaalsContact CE1-CD1 3.49Å; F267-I271 HydrophobicContact CE2-CD1 4.32Å; F267-I271 HydrophobicContact CG-CD1 4.44Å; F267-I271 HydrophobicContact CZ-CD1 3.74Å; F267-I271 WeakPolarHBondContact O-CG1 3.31Å; F267-I271 PolarHBondContact O-N 2.89Å; Q268-I271 PolarHBondContact O-N 3.4Å; I271-S273 PolarHBondContact O-N 2.95Å; I271-Y274 PolarHBondContact O-N 3.4Å; I271-Y274 VanDerWaalsContact O-N 3.08Å; I271-L275 HydrophobicContact CG2-CD1 3.81Å; I271-L275 HydrophobicContact CG2-CG 4.24Å; I271-L275 WeakPolarHBondContact O-CG 3.28Å; I271-L275 PolarHBondContact O-N 3.14Å |
| 272 | S | 75.8 | Confident | 73.4 | Confident | 70 Ų | 70 | 101 Ų | 101 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -36 | 177.3 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | Q268 A269 F276 | Q268-S272 PolarHBondContact O-N 3.02Å; Q268-S272 PolarHBondContact O-OG 3.04Å; A269-S272 PolarHBondContact O-N 3.48Å; S272-F276 VanDerWaalsContact O-CB 3.29Å; S272-F276 WeakPolarHBondContact O-CB 3.3Å; S272-F276 PolarHBondContact O-N 2.96Å |
| 273 | S | 80.5 | Confident | 74.8 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.1 | -34.4 | 176.5 | 78.4 | 0 | 0 | 0 | 0 | 113.6 | A269 K270 I271 R277 | A269-S273 PolarHBondContact O-N 2.76Å; K270-S273 PolarHBondContact O-N 3.02Å; K270-S273 VanDerWaalsContact O-N 3.17Å; K270-S273 PolarHBondContact O-OG 3.16Å; I271-S273 PolarHBondContact O-N 2.95Å; S273-R277 WeakPolarHBondContact O-CB 3.5Å; S273-R277 PolarHBondContact O-N 3.05Å |
| 274 | Y | 72.8 | Confident | 76 | Confident | 106 Ų | 106 | 100 Ų | 100 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.6 | -52.6 | 173.2 | -73.3 | -63.1 | 0 | 0 | 0 | 110.7 | K270 I271 F276 R277 D278 | K270-Y274 HydrophobicContact CD-CE2 4.22Å; K270-Y274 VanDerWaalsContact CE-OH 3.3Å; K270-Y274 WeakPolarHBondContact CE-OH 3.28Å; K270-Y274 HydrophobicContact CG-CD2 4.11Å; K270-Y274 HydrophobicContact CG-CE2 3.57Å; K270-Y274 WeakPolarHBondContact O-CD2 3.4Å; K270-Y274 PolarHBondContact O-N 3.08Å; K270-Y274 VanDerWaalsContact O-N 3.11Å; I271-Y274 PolarHBondContact O-N 3.4Å; I271-Y274 VanDerWaalsContact O-N 3.08Å; Y274-F276 VanDerWaalsContact C-N 3.3Å; Y274-F276 PolarHBondContact O-N 3.22Å; Y274-R277 PolarHBondContact O-N 3.48Å; Y274-D278 VanDerWaalsContact O-CG 3.25Å; Y274-D278 PolarHBondContact O-N 3.32Å |
| 275 | L | 78.4 | Confident | 77.1 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.4 | -42.2 | 179.6 | -66.9 | 175.5 | 0 | 0 | 0 | 112.3 | I271 N279 | I271-L275 HydrophobicContact CG2-CD1 3.81Å; I271-L275 HydrophobicContact CG2-CG 4.24Å; I271-L275 WeakPolarHBondContact O-CG 3.28Å; I271-L275 PolarHBondContact O-N 3.14Å; L275-N279 VanDerWaalsContact O-CB 3.27Å; L275-N279 WeakPolarHBondContact O-CB 3.46Å; L275-N279 PolarHBondContact O-N 3.27Å |
| 276 | F | 84 | Confident | 77.8 | Confident | 151 Ų | 151 | 101.1 Ų | 101.1 | 66% | 0.662 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 175.6 | -178.8 | -98.6 | 0 | 0 | 0 | 112.6 | S272 Y274 N280 | S272-F276 VanDerWaalsContact O-CB 3.29Å; S272-F276 WeakPolarHBondContact O-CB 3.3Å; S272-F276 PolarHBondContact O-N 2.96Å; Y274-F276 VanDerWaalsContact C-N 3.3Å; Y274-F276 PolarHBondContact O-N 3.22Å; F276-N280 WeakPolarHBondContact O-CB 3.38Å; F276-N280 PolarHBondContact O-N 3.49Å |
| 277 | R | 76.3 | Confident | 78.4 | Confident | 142 Ų | 142 | 101.3 Ų | 101.3 | 54% | 0.536 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 179.1 | -172.2 | 177.2 | 69 | 171.9 | 5.1 | 111.8 | S273 Y274 N279 N280 I281 | S273-R277 WeakPolarHBondContact O-CB 3.5Å; S273-R277 PolarHBondContact O-N 3.05Å; Y274-R277 PolarHBondContact O-N 3.48Å; R277-N279 VanDerWaalsContact C-N 3.35Å; R277-N280 WeakPolarHBondContact O-CB 3.37Å; R277-N280 PolarHBondContact O-N 2.97Å; R277-I281 HydrophobicContact CG-CD1 4.14Å; R277-I281 WeakPolarHBondContact O-CG1 3.44Å; R277-I281 PolarHBondContact O-N 3.26Å |
| 278 | D | 74 | Confident | 78.8 | Confident | 71 Ų | 71 | 100.8 Ų | 100.8 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.3 | -35.3 | -178.7 | -58.8 | -19.1 | 0 | 0 | 0 | 110.5 | Y274 I281 N282 | Y274-D278 VanDerWaalsContact O-CG 3.25Å; Y274-D278 PolarHBondContact O-N 3.32Å; D278-I281 PolarHBondContact O-N 3.39Å; D278-N282 PolarHBondContact O-N 2.97Å; D278-N282 PolarHBondContact O-ND2 3.39Å |
| 279 | N | 79.8 | Confident | 79.1 | Confident | 111 Ų | 111 | 97.2 Ų | 97.2 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 171.7 | -156 | -91 | 0 | 0 | 0 | 111.7 | L275 R277 N282 V283 | L275-N279 VanDerWaalsContact O-CB 3.27Å; L275-N279 WeakPolarHBondContact O-CB 3.46Å; L275-N279 PolarHBondContact O-N 3.27Å; R277-N279 VanDerWaalsContact C-N 3.35Å; N279-N282 PolarHBondContact O-N 2.96Å; N279-V283 WeakPolarHBondContact O-CG2 3.26Å; N279-V283 PolarHBondContact O-N 3.39Å |
| 280 | N | 82.5 | Confident | 79.1 | Confident | 78 Ų | 78 | 98.8 Ų | 98.8 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 176.6 | -165.8 | -45 | 0 | 0 | 0 | 112.2 | F276 R277 N282 V283 L284 | F276-N280 WeakPolarHBondContact O-CB 3.38Å; F276-N280 PolarHBondContact O-N 3.49Å; R277-N280 WeakPolarHBondContact O-CB 3.37Å; R277-N280 PolarHBondContact O-N 2.97Å; N280-N282 VanDerWaalsContact C-N 3.34Å; N280-N282 PolarHBondContact O-N 3.37Å; N280-V283 PolarHBondContact O-N 3.32Å; N280-L284 PolarHBondContact O-N 3.08Å; N280-L284 WeakPolarHBondContact OD1-CD1 3.29Å |
| 281 | I | 80.3 | Confident | 79 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 174.1 | -68.9 | 166.2 | 0 | 0 | 0 | 111.5 | R277 D278 L284 T285 | R277-I281 HydrophobicContact CG-CD1 4.14Å; R277-I281 WeakPolarHBondContact O-CG1 3.44Å; R277-I281 PolarHBondContact O-N 3.26Å; D278-I281 PolarHBondContact O-N 3.39Å; I281-L284 PolarHBondContact O-N 3.23Å; I281-T285 WeakPolarHBondContact O-CB 3.26Å; I281-T285 PolarHBondContact O-N 3.36Å; I281-T285 PolarHBondContact O-OG1 3.04Å |
| 282 | N | 80.4 | Confident | 78.3 | Confident | 109 Ų | 109 | 102 Ų | 102 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -38 | 176.5 | -82.6 | -78.4 | 0 | 0 | 0 | 112.7 | D278 N279 N280 T285 Q286 | D278-N282 PolarHBondContact O-N 2.97Å; D278-N282 PolarHBondContact O-ND2 3.39Å; N279-N282 PolarHBondContact O-N 2.96Å; N280-N282 VanDerWaalsContact C-N 3.34Å; N280-N282 PolarHBondContact O-N 3.37Å; N282-T285 PolarHBondContact O-N 2.96Å; N282-Q286 WeakPolarHBondContact O-CB 3.3Å; N282-Q286 PolarHBondContact O-N 2.86Å |
| 283 | V | 83.6 | Confident | 77.9 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -48 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | N279 N280 T285 Q286 E287 | N279-V283 WeakPolarHBondContact O-CG2 3.26Å; N279-V283 PolarHBondContact O-N 3.39Å; N280-V283 PolarHBondContact O-N 3.32Å; V283-T285 VanDerWaalsContact C-N 3.31Å; V283-T285 PolarHBondContact O-N 2.65Å; V283-Q286 WeakPolarHBondContact O-CB 3.16Å; V283-Q286 PolarHBondContact O-N 3.04Å; V283-Q286 VanDerWaalsContact O-N 3.13Å; V283-E287 PolarHBondContact O-N 2.88Å |
| 284 | L | 85.9 | Confident | 77 | Confident | 96 Ų | 96 | 109.5 Ų | 109.5 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 176.2 | -73.3 | 164.8 | 0 | 0 | 0 | 112.1 | N280 I281 Q286 E287 E288 | N280-L284 PolarHBondContact O-N 3.08Å; N280-L284 WeakPolarHBondContact OD1-CD1 3.29Å; I281-L284 PolarHBondContact O-N 3.23Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 3.17Å; L284-E287 PolarHBondContact O-N 2.79Å; L284-E288 PolarHBondContact O-N 2.82Å |
| 285 | T | 82.6 | Confident | 76.1 | Confident | 80 Ų | 80 | 110.7 Ų | 110.7 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -33.7 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | I281 N282 V283 A289 | I281-T285 WeakPolarHBondContact O-CB 3.26Å; I281-T285 PolarHBondContact O-N 3.36Å; I281-T285 PolarHBondContact O-OG1 3.04Å; N282-T285 PolarHBondContact O-N 2.96Å; V283-T285 VanDerWaalsContact C-N 3.31Å; V283-T285 PolarHBondContact O-N 2.65Å; T285-A289 VanDerWaalsContact O-CB 3.22Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 3.43Å |
| 286 | Q | 83.4 | Confident | 75 | Confident | 134 Ų | 134 | 108.3 Ų | 108.3 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.8 | -40.7 | 173.9 | -175 | 178.3 | 106.9 | 0 | 0 | 111.9 | N282 V283 L284 A289 L290 | N282-Q286 WeakPolarHBondContact O-CB 3.3Å; N282-Q286 PolarHBondContact O-N 2.86Å; V283-Q286 WeakPolarHBondContact O-CB 3.16Å; V283-Q286 PolarHBondContact O-N 3.04Å; V283-Q286 VanDerWaalsContact O-N 3.13Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 3.17Å; Q286-A289 PolarHBondContact O-N 3.21Å; Q286-L290 HydrophobicContact CG-CD1 4.41Å; Q286-L290 WeakPolarHBondContact O-CG 3.49Å; Q286-L290 PolarHBondContact O-N 3.39Å |
| 287 | E | 79.3 | Confident | 73.6 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -50.4 | 176.3 | -171.9 | 170.7 | -167.8 | 0 | 0 | 111.2 | V283 L284 A289 L290 E291 | V283-E287 PolarHBondContact O-N 2.88Å; L284-E287 PolarHBondContact O-N 2.79Å; E287-A289 VanDerWaalsContact C-N 3.33Å; E287-A289 PolarHBondContact O-N 3.32Å; E287-L290 WeakPolarHBondContact O-CB 3.48Å; E287-L290 PolarHBondContact O-N 3.08Å; E287-E291 PolarHBondContact O-N 3.02Å |
| 288 | E | 77.4 | Confident | 72.3 | Confident | 134 Ų | 134 | 103.1 Ų | 103.1 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.3 | -40.5 | 175.8 | -171.6 | 176.5 | -176.3 | 0 | 0 | 111.9 | L284 L290 E291 H292 | L284-E288 PolarHBondContact O-N 2.82Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.48Å; E288-E291 PolarHBondContact O-N 3.14Å; E288-H292 WeakPolarHBondContact O-CB 3.41Å; E288-H292 PolarHBondContact O-N 3.09Å |
| 289 | A | 75.8 | Confident | 71.1 | Confident | 51 Ų | 51 | 106.7 Ų | 106.7 | 42% | 0.421 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -23.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | T285 Q286 E287 R293 | T285-A289 VanDerWaalsContact O-CB 3.22Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 3.43Å; Q286-A289 PolarHBondContact O-N 3.21Å; E287-A289 VanDerWaalsContact C-N 3.33Å; E287-A289 PolarHBondContact O-N 3.32Å; A289-R293 WeakPolarHBondContact O-CB 3.39Å; A289-R293 PolarHBondContact O-N 3.25Å |
| 290 | L | 75.3 | Confident | 69.6 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -78.4 | -45.1 | 171.2 | -72.9 | 170 | 0 | 0 | 0 | 111 | Q286 E287 E288 H292 R293 L294 | Q286-L290 HydrophobicContact CG-CD1 4.41Å; Q286-L290 WeakPolarHBondContact O-CG 3.49Å; Q286-L290 PolarHBondContact O-N 3.39Å; E287-L290 WeakPolarHBondContact O-CB 3.48Å; E287-L290 PolarHBondContact O-N 3.08Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-H292 PolarHBondContact O-N 2.91Å; L290-R293 WeakPolarHBondContact O-CB 3.32Å; L290-R293 PolarHBondContact O-N 2.74Å; L290-L294 PolarHBondContact O-N 3.3Å |
| 291 | E | 74 | Confident | 68 | Low | 115 Ų | 115 | 109.2 Ų | 109.2 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.9 | -46.2 | 174.5 | -69.7 | -140.2 | 133.6 | 0 | 0 | 112 | E287 E288 R293 L294 H295 | E287-E291 PolarHBondContact O-N 3.02Å; E288-E291 PolarHBondContact O-N 3.14Å; E291-R293 PolarHBondContact O-N 3.08Å; E291-L294 WeakPolarHBondContact O-CB 3.25Å; E291-L294 PolarHBondContact O-N 3.43Å; E291-L294 VanDerWaalsContact O-N 3.07Å; E291-H295 PolarHBondContact O-N 3.45Å; E291-H295 PolarHBondContact O-ND1 3.29Å |
| 292 | H | 63.4 | Low | 66.5 | Low | 138 Ų | 138 | 114.1 Ų | 114.1 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.4 | -28.4 | -178.3 | -151.6 | -67.3 | 0 | 0 | 0 | 112.1 | E288 L290 S296 | E288-H292 WeakPolarHBondContact O-CB 3.41Å; E288-H292 PolarHBondContact O-N 3.09Å; L290-H292 PolarHBondContact O-N 2.91Å; H292-S296 WeakPolarHBondContact O-CB 3.03Å; H292-S296 PolarHBondContact O-N 3.37Å |
| 293 | R | 66.4 | Low | 64.9 | Low | 173 Ų | 173 | 113.4 Ų | 113.4 | 65% | 0.653 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.2 | -42.8 | 170.3 | -170.4 | -169.4 | -52.7 | -117 | 1.6 | 111.6 | A289 L290 E291 S296 A297 | A289-R293 WeakPolarHBondContact O-CB 3.39Å; A289-R293 PolarHBondContact O-N 3.25Å; L290-R293 WeakPolarHBondContact O-CB 3.32Å; L290-R293 PolarHBondContact O-N 2.74Å; E291-R293 PolarHBondContact O-N 3.08Å; R293-S296 PolarHBondContact O-N 2.85Å; R293-A297 WeakPolarHBondContact O-CB 3.27Å; R293-A297 PolarHBondContact O-N 3.49Å |
| 294 | L | 62.6 | Low | 63.2 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.8 | -45.5 | 177.6 | -121.5 | 162.9 | 0 | 0 | 0 | 111.6 | L290 E291 N298 | L290-L294 PolarHBondContact O-N 3.3Å; E291-L294 WeakPolarHBondContact O-CB 3.25Å; E291-L294 PolarHBondContact O-N 3.43Å; E291-L294 VanDerWaalsContact O-N 3.07Å; L294-N298 PolarHBondContact O-ND2 3.42Å |
| 295 | H | 52.4 | Low | 61.4 | Low | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.606 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.3 | -43.5 | 176 | -67.7 | 99.9 | 0 | 0 | 0 | 112.2 | E291 A297 N298 | E291-H295 PolarHBondContact O-N 3.45Å; E291-H295 PolarHBondContact O-ND1 3.29Å; H295-A297 PolarHBondContact O-N 3.32Å; H295-N298 PolarHBondContact O-N 3.47Å |
| 296 | S | 55.7 | Low | 59.8 | Low | 63 Ų | 63 | 120.2 Ų | 120.2 | 44% | 0.441 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.5 | -41.2 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | H292 R293 N298 H299 | H292-S296 WeakPolarHBondContact O-CB 3.03Å; H292-S296 PolarHBondContact O-N 3.37Å; R293-S296 PolarHBondContact O-N 2.85Å; S296-N298 PolarHBondContact O-N 2.76Å; S296-H299 PolarHBondContact O-N 3.37Å; S296-H299 PolarHBondContact O-ND1 3.44Å |
| 297 | A | 53.7 | Low | 57.8 | Low | 69 Ų | 69 | 119 Ų | 119 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.6 | -26.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R293 H295 | R293-A297 WeakPolarHBondContact O-CB 3.27Å; R293-A297 PolarHBondContact O-N 3.49Å; H295-A297 PolarHBondContact O-N 3.32Å |
| 298 | N | 49.7 | Very low | 56.8 | Low | 116 Ų | 116 | 119.6 Ų | 119.6 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -79.7 | -16.9 | -178.7 | -82.9 | -84.4 | 0 | 0 | 0 | 114.1 | L294 H295 S296 S300 | L294-N298 PolarHBondContact O-ND2 3.42Å; H295-N298 PolarHBondContact O-N 3.47Å; S296-N298 PolarHBondContact O-N 2.76Å; N298-S300 PolarHBondContact O-N 3.42Å |
| 299 | H | 49.7 | Very low | 55.2 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 67% | 0.671 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -11.3 | -176.8 | 98.2 | -77.4 | 0 | 0 | 0 | 114.3 | S296 | S296-H299 PolarHBondContact O-N 3.37Å; S296-H299 PolarHBondContact O-ND1 3.44Å |
| 300 | S | 48.4 | Very low | 53.5 | Low | 92 Ų | 92 | 125.2 Ų | 125.2 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | -106.9 | 42.1 | -171.3 | -144.6 | 0 | 0 | 0 | 0 | 114.2 | N298 | N298-S300 PolarHBondContact O-N 3.42Š| ||
| 301 | L | 48.3 | Very low | 52 | Low | 150 Ų | 150 | 126.3 Ų | 126.3 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -120.3 | 34.5 | 172.9 | -72.3 | 177.4 | 0 | 0 | 0 | 113 | A303 | L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.24Å | ||
| 302 | Q | 48 | Very low | 50.6 | Low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | trans | -77.5 | 84.1 | 170.7 | -165.2 | 169.8 | 5.5 | 0 | 0 | 110.2 | T304 | Q302-T304 PolarHBondContact O-N 3.39Š| ||
| 303 | A | 47 | Very low | 49.5 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -60.6 | 120.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L301 | L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.24Å | ||
| 304 | T | 48.6 | Very low | 48.2 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -91.5 | 115.1 | 164.6 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | Q302 N306 | Q302-T304 PolarHBondContact O-N 3.39Å; T304-N306 VanDerWaalsContact C-N 3.27Å; T304-N306 PolarHBondContact O-N 3.04Å | ||
| 305 | P | 47.9 | Very low | 47 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -84.2 | 60 | -168.6 | 34.6 | -37.4 | 0 | 0 | 0 | 113 | ||
| 306 | N | 48.5 | Very low | 46.4 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -172.1 | 99.6 | 157.9 | -106.6 | -47.7 | 0 | 0 | 0 | 112.8 | T304 | T304-N306 VanDerWaalsContact C-N 3.27Å; T304-N306 PolarHBondContact O-N 3.04Å | ||
| 307 | S | 40.8 | Very low | 45.5 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -165.7 | 105.5 | 153.3 | -84.5 | 0 | 0 | 0 | 0 | 110.2 | I309 | S307-I309 PolarHBondContact O-N 2.8Š| ||
| 308 | T | 58.1 | Low | 44.8 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -80.3 | 105.7 | 170.4 | -60.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 309 | I | 45.6 | Very low | 44.8 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -129.4 | 143.5 | 168.3 | -59.5 | -177.1 | 0 | 0 | 0 | 108.5 | S307 | S307-I309 PolarHBondContact O-N 2.8Š| ||
| 310 | H | 40.2 | Very low | 44.6 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -76.8 | 146.4 | -166.7 | -62.5 | -98.8 | 0 | 0 | 0 | 112.7 | L312 | H310-L312 PolarHBondContact O-N 3.25Å; H310-L312 VanDerWaalsContact O-N 3.15Å | ||
| 311 | S | 43.3 | Very low | 44.6 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 112.5 | 167.8 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 312 | L | 45.1 | Very low | 44.6 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 144.1 | 167.7 | -102.5 | 69.6 | 0 | 0 | 0 | 110.2 | H310 H314 | H310-L312 PolarHBondContact O-N 3.25Å; H310-L312 VanDerWaalsContact O-N 3.15Å; L312-H314 PolarHBondContact O-N 3.35Å | ||
| 313 | V | 39.8 | Very low | 44.7 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -52.4 | 133.4 | -176.8 | 177 | 0 | 0 | 0 | 0 | 111.5 | Q315 | V313-Q315 PolarHBondContact O-N 3.24Š| ||
| 314 | H | 38 | Very low | 44.4 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -64.6 | 114.4 | 169.4 | -70.9 | 56.6 | 0 | 0 | 0 | 109.2 | L312 V316 | L312-H314 PolarHBondContact O-N 3.35Å; H314-V316 PolarHBondContact O-N 3.2Å | ||
| 315 | Q | 38.4 | Very low | 44.1 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -74 | 114.6 | 163.9 | -78.7 | -170.2 | -26 | 0 | 0 | 108.9 | V313 H317 | V313-Q315 PolarHBondContact O-N 3.24Å; Q315-H317 PolarHBondContact O-N 3.48Å | ||
| 316 | V | 39.3 | Very low | 43.7 | Very low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -78.5 | 108.2 | 172 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | H314 | H314-V316 PolarHBondContact O-N 3.2Š| ||
| 317 | H | 37.3 | Very low | 43.4 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141.9 | 165.6 | -75.8 | -87.9 | 0 | 0 | 0 | 109.7 | Q315 | Q315-H317 PolarHBondContact O-N 3.48Š|
| 318 | P | 39.6 | Very low | 43.1 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 148.9 | 168 | 30.4 | -34.4 | 0 | 0 | 0 | 109.8 | ||
| 319 | P | 49.3 | Very low | 42.1 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65 | 145 | 174.6 | 28.6 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 320 | L | 45 | Very low | 41.6 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.1 | 163.4 | -84.6 | 156 | 0 | 0 | 0 | 109 | ||
| 321 | V | 47.8 | Very low | 41.3 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83 | 125.5 | 168.5 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | L323 | V321-L323 PolarHBondContact O-N 3.45Š|
| 322 | D | 48.2 | Very low | 40.7 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -64.4 | 94.7 | 172.1 | -78.4 | -38.9 | 0 | 0 | 0 | 110 | W324 | D322-W324 PolarHBondContact O-N 3.48Š| ||
| 323 | L | 51.1 | Low | 39.9 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 16.5 | -173.3 | -152.6 | 75.1 | 0 | 0 | 0 | 113.7 | V321 | V321-L323 PolarHBondContact O-N 3.45Š|
| 324 | W | 41.4 | Very low | 39.6 | Very low | 241 Ų | 241 | 150.8 Ų | 150.8 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | -4.2 | -169.2 | -50.2 | -25.7 | 0 | 0 | 0 | 113.5 | D322 | D322-W324 PolarHBondContact O-N 3.48Š|
| 325 | N | 42.4 | Very low | 39.5 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -115.9 | 77.1 | -175.7 | -159.2 | -6.1 | 0 | 0 | 0 | 112.4 | ||||
| 326 | T | 38.7 | Very low | 39.3 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -131.1 | 53.6 | 172.1 | -41.8 | 0 | 0 | 0 | 0 | 110.7 | Q328 | T326-Q328 VanDerWaalsContact C-N 3.28Å; T326-Q328 PolarHBondContact O-N 2.96Å | ||
| 327 | G | 42.4 | Very low | 39 | Very low | 73 Ų | 73 | 145.9 Ų | 145.9 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -87.5 | 46.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 328 | Q | 34.2 | Very low | 38.9 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -154.2 | 145.9 | 164.4 | -94.9 | -56.9 | -2.6 | 0 | 0 | 110.3 | T326 | T326-Q328 VanDerWaalsContact C-N 3.28Å; T326-Q328 PolarHBondContact O-N 2.96Å | ||
| 329 | M | 36.3 | Very low | 38.4 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -125.5 | 108 | -176.8 | 172.5 | 175.8 | 60.6 | 0 | 0 | 109.9 | ||||
| 330 | E | 36.4 | Very low | 37.8 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -146.2 | 154.4 | 172.4 | -118.5 | 156.1 | -160 | 0 | 0 | 111.6 | ||||
| 331 | A | 33.7 | Very low | 37.2 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -88.5 | 151.1 | -152.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q333 | A331-Q333 PolarHBondContact O-N 2.74Š| ||
| 332 | Y | 30.6 | Very low | 36.4 | Very low | 242 Ų | 242 | 147.6 Ų | 147.6 | 95% | 0.949 | 83% | 0.829 | S | S | * | * | trans | -66 | 119.9 | 162.9 | -75.6 | -93.2 | 0 | 0 | 0 | 110.5 | ||||
| 333 | Q | 28.9 | Very low | 35.7 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -128.4 | 147.1 | 154.8 | -170.7 | 164.2 | -9.6 | 0 | 0 | 109.7 | A331 | A331-Q333 PolarHBondContact O-N 2.74Š| ||
| 334 | A | 33.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 84% | 0.839 | S | S | * | * | trans | -77.1 | 159.6 | -161.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A336 | A334-A336 PolarHBondContact O-N 3.22Š| ||
| 335 | E | 36.2 | Very low | 34.4 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 94% | 0.939 | 84% | 0.836 | S | S | * | * | trans | -54.2 | 115.2 | 174.5 | 177.5 | -177.1 | -159 | 0 | 0 | 113.8 | ||||
| 336 | A | 33.7 | Very low | 33.9 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -163.2 | 124.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A334 | A334-A336 PolarHBondContact O-N 3.22Š| ||
| 337 | G | 31.7 | Very low | 33.5 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | 71.1 | 106.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 338 | G | 35 | Very low | 33 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 86% | 0.856 | 85% | 0.851 | S | S | * | * | trans | -90.2 | 152.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 339 | Y | 30.3 | Very low | 32.8 | Very low | 214 Ų | 214 | 139.4 Ų | 139.4 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -150.9 | 156.6 | 157.2 | 59.5 | -89.5 | 0 | 0 | 0 | 110.3 | ||||
| 340 | M | 35.5 | Very low | 32.8 | Very low | 194 Ų | 194 | 140 Ų | 140 | 96% | 0.956 | 86% | 0.857 | S | S | * | * | trans | -87.1 | 137.5 | 176.1 | -66.6 | -117.2 | -66.6 | 0 | 0 | 110.7 | ||||
| 341 | G | 33.1 | Very low | 32.4 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 85% | 0.853 | S | S | * | * | trans | -149.6 | 107.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 342 | V | 30.9 | Very low | 32.6 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 90% | 0.903 | 85% | 0.853 | S | S | * | * | trans | -46.9 | 142.6 | -179 | 179.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 343 | A | 33.2 | Very low | 32.9 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | trans | -73.4 | 151.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 344 | A | 30.3 | Very low | 33.1 | Very low | 103 Ų | 103 | 128 Ų | 128 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -140.3 | 134 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 345 | V | 35.3 | Very low | 33 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | trans | -94.1 | 142.4 | 169.9 | 171.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 346 | V | 31.7 | Very low | 32.9 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 87% | 0.873 | 85% | 0.845 | S | S | * | * | trans | -156.2 | 156.9 | 149.3 | 131.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 347 | E | 30.2 | Very low | 33 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | trans | -101.4 | -175.9 | -162.6 | -151.3 | 176.7 | 154.8 | 0 | 0 | 113.9 | ||||
| 348 | A | 32.3 | Very low | 33 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | trans | -64.7 | 159.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 349 | G | 30 | Very low | 33 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | -156.5 | 117.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 350 | L | 35.6 | Very low | 33 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 97% | 0.969 | 84% | 0.837 | S | S | * | * | trans | -85.3 | 133.2 | 172 | -86.2 | 155.1 | 0 | 0 | 0 | 110.9 | ||||
| 351 | C | 29.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 125 Ų | 125 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -158.4 | 140.2 | 150.1 | -156.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 352 | V | 36.8 | Very low | 32.6 | Very low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -132.7 | 130.4 | 164.5 | 173 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 353 | P | 37.2 | Very low | 32.6 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -117.7 | 160.1 | 146.7 | 35 | -25.9 | 0 | 0 | 0 | 110.8 | ||||
| 354 | A | 34.3 | Very low | 32.8 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -130.1 | 151.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 355 | G | 30.7 | Very low | 33 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 90.7 | 121.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 356 | E | 33.3 | Very low | 32.8 | Very low | 205 Ų | 205 | 130.3 Ų | 130.3 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | -155.8 | 169.4 | 104 | -160.9 | 153.1 | -149.4 | 0 | 0 | 109 | |||||
| 357 | E | 35.6 | Very low | 32.7 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -113.1 | 160.4 | -174.6 | -175.7 | 176.7 | -146.8 | 0 | 0 | 110.8 | ||||
| 358 | V | 33.3 | Very low | 32.9 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | 144 | 110.1 | 147.9 | 168.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 359 | V | 34 | Very low | 32.8 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | 24.4 | 128.9 | 138.9 | -171.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 360 | G | 30.2 | Very low | 32.9 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 174.1 | 107.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 361 | T | 29.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 64% | 0.638 | 78% | 0.777 | S | S | * | * | 90.1 | 95.6 | 62.5 | -76.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 362 | E | 29.9 | Very low | 32.9 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | trans | -6.1 | 133.9 | 159.4 | 41.9 | -73.5 | 152.1 | 0 | 0 | 122.3 | ||||
| 363 | H | 31.8 | Very low | 32.6 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | 164.2 | 125.4 | 105.7 | -88.3 | -68.1 | 0 | 0 | 0 | 116.8 | |||||
| 364 | S | 36.6 | Very low | 32.2 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 62.6 | 166.8 | 142.4 | -70.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 365 | P | 35.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -136.5 | 148.7 | 15.7 | 41.5 | -22.8 | 0 | 0 | 0 | 120.3 | ||||
| 366 | L | 30.4 | Very low | 31.9 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 21.1 | 122.5 | 126.2 | -151.6 | 156 | 0 | 0 | 0 | 121.5 | |||||
| 367 | L | 30.1 | Very low | 32.1 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 173.9 | 119.8 | 134.4 | -88.4 | 169.1 | 0 | 0 | 0 | 106.1 | ||||
| 368 | E | 33.8 | Very low | 32.1 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | 74.5 | 91.8 | 65.6 | -166.6 | -178.9 | 168.4 | 0 | 0 | 113.8 | |||||
| 369 | Q | 30.6 | Very low | 32.1 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -156.6 | 111.7 | 142.7 | -117.6 | 164.1 | -3.9 | 0 | 0 | 110.5 | ||||
| 370 | Q | 31.8 | Very low | 32.2 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -89 | 121.9 | 159.6 | 166.5 | -175.8 | -15.5 | 0 | 0 | 106.2 | E372 | Q370-E372 PolarHBondContact NE2-OE2 2.9Š| ||
| 371 | E | 32.5 | Very low | 32.2 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | -129.7 | 94.6 | 171.7 | -144.6 | 158.7 | -136.5 | 0 | 0 | 108.7 | ||||
| 372 | E | 33.3 | Very low | 32.4 | Very low | 166 Ų | 166 | 158.5 Ų | 158.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -77.6 | 110.6 | 158.7 | -70 | 171.8 | 104.8 | 0 | 0 | 106.6 | Q370 | Q370-E372 PolarHBondContact NE2-OE2 2.9Š| ||
| 373 | E | 30.6 | Very low | 32.5 | Very low | 187 Ų | 187 | 156.6 Ų | 156.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -116.3 | 131.7 | 164.5 | -148.2 | -179.8 | -149.4 | 0 | 0 | 112 | ||||
| 374 | Q | 28.2 | Very low | 33 | Very low | 179 Ų | 179 | 156.4 Ų | 156.4 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -95.2 | 109.6 | -169.5 | 170.9 | -177.6 | 59.4 | 0 | 0 | 109.2 | ||||
| 375 | F | 27.8 | Very low | 32.8 | Very low | 200 Ų | 200 | 157.7 Ų | 157.7 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -93 | 145.7 | 168.1 | -142.6 | -92.9 | 0 | 0 | 0 | 112.1 | ||||
| 376 | K | 29.7 | Very low | 32.8 | Very low | 144 Ų | 144 | 161.7 Ų | 161.7 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | trans | -85 | 149.4 | -156.2 | -66.5 | 168.1 | 149.7 | -145.6 | 0 | 114.5 | E378 | K376-E378 HydrophobicContact CB-CG 4.14Å; K376-E378 VanDerWaalsContact CD-OE1 3.3Å; K376-E378 WeakPolarHBondContact CD-OE1 3.41Å; K376-E378 WeakPolarHBondContact CE-OE1 3.4Å; K376-E378 IonicContact NZ-OE1 2.68Å; K376-E378 PolarHBondContact NZ-OE1 3.41Å | ||
| 377 | E | 37.4 | Very low | 32.7 | Very low | 199 Ų | 199 | 162.9 Ų | 162.9 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -103.9 | 82.1 | 166.5 | -176.6 | -179.7 | -166.5 | 0 | 0 | 109.2 | ||||
| 378 | E | 35.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 161.5 Ų | 161.5 | 62% | 0.621 | 80% | 0.802 | S | S | * | * | trans | -157.7 | 135.6 | 170.8 | 50.3 | -163.5 | -178.4 | 0 | 0 | 110.5 | K376 | K376-E378 HydrophobicContact CB-CG 4.14Å; K376-E378 VanDerWaalsContact CD-OE1 3.3Å; K376-E378 WeakPolarHBondContact CD-OE1 3.41Å; K376-E378 WeakPolarHBondContact CE-OE1 3.4Å; K376-E378 IonicContact NZ-OE1 2.68Å; K376-E378 PolarHBondContact NZ-OE1 3.41Å | ||
| 379 | D | 34.6 | Very low | 32.7 | Very low | 157 Ų | 157 | 158.2 Ų | 158.2 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | 57.1 | 129.1 | -161.5 | -69.2 | -32.1 | 0 | 0 | 0 | 114.8 | ||||
| 380 | I | 35.4 | Very low | 32.7 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | cis | -119.3 | 115.5 | 35.3 | -62.6 | 159.3 | 0 | 0 | 0 | 112 | ||||
| 381 | M | 29.8 | Very low | 32.6 | Very low | 165 Ų | 165 | 156.8 Ų | 156.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -94.2 | 94.2 | 166.9 | -178.1 | -173.1 | 63.9 | 0 | 0 | 110.7 | ||||
| 382 | L | 34.4 | Very low | 32.6 | Very low | 162 Ų | 162 | 154.9 Ų | 154.9 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -135.5 | 96.3 | 161.3 | -77.5 | -179.6 | 0 | 0 | 0 | 110.1 | ||||
| 383 | A | 33.5 | Very low | 32.8 | Very low | 91 Ų | 91 | 152.2 Ų | 152.2 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -84.2 | 134.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 384 | L | 40.5 | Very low | 33.2 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -155.4 | 126.7 | 131.4 | -136.4 | 74.4 | 0 | 0 | 0 | 111.3 | ||||
| 385 | D | 32.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | 2.7 | 128.2 | 164.6 | -47.4 | -33.1 | 0 | 0 | 0 | 120.5 | ||||
| 386 | Q | 35.4 | Very low | 33.9 | Very low | 202 Ų | 202 | 146.5 Ų | 146.5 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | -133.9 | 88.7 | 136.7 | -166.7 | 150.8 | 100.2 | 0 | 0 | 109.1 | ||||
| 387 | E | 29.7 | Very low | 34 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -67.9 | 145 | -176.8 | -169.8 | -178.9 | 132.4 | 0 | 0 | 112.3 | ||||
| 388 | S | 34.3 | Very low | 33.7 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -83.7 | 115.3 | 174 | -177.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 389 | A | 29.3 | Very low | 33.5 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -119.7 | 139.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 390 | M | 30.1 | Very low | 33.5 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | trans | -130.2 | 140.3 | -165.7 | -161.3 | -176.8 | 66.3 | 0 | 0 | 110.7 | ||||
| 391 | L | 30.4 | Very low | 33.7 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 68.7 | 160.3 | 179 | -41.5 | 176.4 | 0 | 0 | 0 | 113.4 | ||||
| 392 | T | 31.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | cis | -155.9 | 156.7 | 14.5 | -25.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 393 | P | 37.1 | Very low | 33.6 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -81.2 | 154 | -178.2 | 32.1 | -37.3 | 0 | 0 | 0 | 114.8 | ||||
| 394 | P | 40.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -79 | 157.7 | 179.3 | 32.5 | -35.7 | 0 | 0 | 0 | 114.2 | ||||
| 395 | T | 33.2 | Very low | 33.4 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -108.4 | 166.8 | -174.9 | -48 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 396 | Q | 36.8 | Very low | 34.1 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -91.1 | 171 | -178.1 | -66.3 | -173.8 | -5.4 | 0 | 0 | 114.6 | ||||
| 397 | Q | 31.7 | Very low | 33.8 | Very low | 191 Ų | 191 | 124 Ų | 124 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | 71.4 | 147.4 | 174.5 | -49.9 | -177.6 | -70.6 | 0 | 0 | 114.7 | ||||
| 398 | G | 32 | Very low | 34 | Very low | 62 Ų | 62 | 124.9 Ų | 124.9 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | cis | 157.1 | 146.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 399 | D | 31.4 | Very low | 35 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | cis | -135.3 | -130.8 | -4.8 | -68.1 | -50.7 | 0 | 0 | 0 | 108.6 | ||||
| 400 | A | 34.8 | Very low | 35.5 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | cis | -165.7 | 172.4 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 401 | S | 38.3 | Very low | 35.7 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | 87.6 | 117 | 155.8 | -152 | 0 | 0 | 0 | 0 | 121 | ||||
| 402 | G | 31.9 | Very low | 36 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 97.9 | 117.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 403 | G | 31.3 | Very low | 36.5 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | cis | 175.3 | 160.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 404 | S | 32.3 | Very low | 36.4 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 67.2 | 106.9 | 167.4 | -57.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 405 | S | 35.7 | Very low | 36 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -96.4 | -172.6 | 137 | -130.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 406 | P | 48.8 | Very low | 36 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -135.3 | -175 | 8.6 | 43.4 | -25.9 | 0 | 0 | 0 | 115.5 | ||||
| 407 | G | 27.8 | Very low | 36 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 165.6 | 104.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 408 | Q | 34.9 | Very low | 36.1 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -168.5 | 162.2 | 164.1 | -131.2 | -163.6 | -2.7 | 0 | 0 | 109.1 | ||||
| 409 | P | 56.2 | Low | 36.1 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | cis | -111.4 | -156.3 | -26.5 | 34.6 | -15.9 | 0 | 0 | 0 | 110.7 | ||||
| 410 | P | 39.6 | Very low | 36.4 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -149 | -168.2 | 97.2 | 40.5 | -22 | 0 | 0 | 0 | 115.9 | |||||
| 411 | T | 32.6 | Very low | 36.2 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -96.2 | 175.1 | -159.2 | -36.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 412 | E | 36.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -53.8 | 173.5 | 179.5 | -51 | 177.6 | 177.2 | 0 | 0 | 118.1 | ||||
| 413 | P | 43.2 | Very low | 35.8 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -149.8 | 126.4 | 111.7 | 36.1 | -18.4 | 0 | 0 | 0 | 119.7 | |||||
| 414 | I | 33.9 | Very low | 35.8 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 9.2 | 130.4 | 137.7 | -37.1 | 175.2 | 0 | 0 | 0 | 121.8 | ||||
| 415 | T | 33.5 | Very low | 35.7 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 164 | 157.1 | 126.5 | 35.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 416 | E | 32.5 | Very low | 35.4 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 64% | 0.64 | 78% | 0.783 | S | S | * | * | cis | -152.7 | 147.2 | 20.1 | -156.2 | -169.2 | 161.6 | 0 | 0 | 113.5 | ||||
| 417 | R | 36.3 | Very low | 34.8 | Very low | 214 Ų | 214 | 134.2 Ų | 134.2 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 22.5 | 155.7 | 150.9 | -62.1 | 168.9 | -171.8 | 138.6 | -3.2 | 121.6 | ||||
| 418 | K | 33.8 | Very low | 34.9 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | cis | -159.6 | 169 | 19.3 | -138.1 | -173.3 | 172.4 | -174.1 | 0 | 107.5 | ||||
| 419 | A | 31.6 | Very low | 34.8 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | cis | -149.3 | 178.7 | 10.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 420 | S | 37.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -122.2 | 175.4 | -166.4 | -50.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 421 | D | 31.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | 129.5 | 144.1 | 149.5 | -68.7 | -3.3 | 0 | 0 | 0 | 113.7 | ||||
| 422 | V | 31.6 | Very low | 32.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | cis | -151 | 171.9 | -4.2 | 109.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 423 | T | 30.8 | Very low | 33 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -84 | 145.6 | -166.3 | -49.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 424 | A | 30.9 | Very low | 33 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 51.9 | 117.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 425 | G | 30.5 | Very low | 33 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | 94.5 | 83.5 | 88.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 426 | L | 29 | Very low | 33 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -165 | 161.6 | 161.8 | -131.1 | 64.8 | 0 | 0 | 0 | 107.3 | ||||
| 427 | I | 35.2 | Very low | 33.1 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | cis | -130.1 | 178.1 | 14.9 | -96.4 | 178.2 | 0 | 0 | 0 | 111.4 | ||||
| 428 | Q | 31.4 | Very low | 33.1 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -59.6 | 158.7 | 178.5 | -61.2 | 147.5 | -6.6 | 0 | 0 | 116.9 | ||||
| 429 | T | 32.8 | Very low | 33.4 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | trans | -71.7 | 126.7 | 154.3 | 47.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 430 | G | 28.1 | Very low | 33.7 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 157.4 | 141.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 431 | G | 26.3 | Very low | 33.5 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | cis | 152.5 | 128.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 432 | K | 31.4 | Very low | 33.8 | Very low | 211 Ų | 211 | 130.3 Ų | 130.3 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -168.4 | 119.8 | 158 | -113 | 165.1 | -177 | 179 | 0 | 112.5 | ||||
| 433 | K | 40.3 | Very low | 34 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | -68.3 | 165.6 | 149.2 | -124 | -169.5 | 178.5 | -165.5 | 0 | 107.8 | ||||
| 434 | P | 43.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | -137.2 | -170.5 | 55.1 | 47.5 | -31 | 0 | 0 | 0 | 112.5 | |||||
| 435 | D | 34.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -149.1 | 172.1 | 17.8 | -112.4 | -44.1 | 0 | 0 | 0 | 112 | ||||
| 436 | C | 32.3 | Very low | 35 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | 57.9 | 85.3 | 162.9 | -58.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 437 | D | 34.7 | Very low | 35.9 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | 34.3 | 118.9 | 97.8 | -45.7 | -11.1 | 0 | 0 | 0 | 117 | |||||
| 438 | E | 36.6 | Very low | 36.1 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | 81.1 | 114.5 | 71.1 | -79.9 | -170.7 | -157.2 | 0 | 0 | 115.6 | |||||
| 439 | E | 40 | Very low | 36.7 | Very low | 181 Ų | 181 | 130.1 Ų | 130.1 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -179.2 | 148.4 | 153.8 | -90 | -124.4 | 161.1 | 0 | 0 | 108.3 | ||||
| 440 | E | 38.4 | Very low | 37 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | cis | -149.5 | 147.9 | -16.5 | -158.9 | -158.1 | -170.2 | 0 | 0 | 108.7 | N442 | E440-N442 PolarHBondContact OE1-ND2 3.49Å; E440-N442 WeakPolarHBondContact OE2-CB 3.43Å; E440-N442 PolarHBondContact OE2-ND2 3.41Å | ||
| 441 | G | 34.6 | Very low | 37.7 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -112.6 | 79.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G443 | G441-G443 PolarHBondContact O-N 2.79Š| ||
| 442 | N | 36.8 | Very low | 38.2 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 55% | 0.551 | 77% | 0.766 | S | S | * | * | trans | -90.9 | 84.9 | -165.1 | -148.1 | -38.1 | 0 | 0 | 0 | 114.9 | E440 | E440-N442 PolarHBondContact OE1-ND2 3.49Å; E440-N442 WeakPolarHBondContact OE2-CB 3.43Å; E440-N442 PolarHBondContact OE2-ND2 3.41Å | ||
| 443 | G | 35.5 | Very low | 38.6 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -97.6 | 80.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G441 | G441-G443 PolarHBondContact O-N 2.79Š| ||
| 444 | N | 35.7 | Very low | 38.5 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | -90.5 | 109.6 | -171.4 | -165.1 | -10.2 | 0 | 0 | 0 | 114.1 | H446 | N444-H446 PolarHBondContact OD1-CD2 3.14Š| ||
| 445 | M | 36.5 | Very low | 38.2 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -89.9 | 102.6 | 164.1 | -70.7 | -164.4 | -58.9 | 0 | 0 | 110.8 | ||||
| 446 | H | 41.9 | Very low | 38.4 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -85.5 | 129.7 | 167.2 | -109.4 | -81 | 0 | 0 | 0 | 111.8 | N444 | N444-H446 PolarHBondContact OD1-CD2 3.14Š| ||
| 447 | A | 48.4 | Very low | 38.9 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | -130.5 | 136.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 448 | F | 39.4 | Very low | 39.1 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | 62.1 | 105.2 | 161.4 | -77.3 | -72.1 | 0 | 0 | 0 | 121.4 | ||||
| 449 | S | 42.2 | Very low | 39.3 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | 104.9 | 147.3 | 110.8 | -154.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 450 | L | 40.2 | Very low | 39.3 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | 68.4 | 135.7 | 174.6 | -61.4 | 144.7 | 0 | 0 | 0 | 114.1 | ||||
| 451 | K | 41.9 | Very low | 39.4 | Very low | 266 Ų | 266 | 138.4 Ų | 138.4 | 100% | 1.157 | 78% | 0.784 | S | S | * | * | cis | -150.2 | 0 | 12.3 | -168.8 | 176.8 | -179.6 | 179.8 | 0 | 111.9 |
Retrieved 451 of 451 residues in 302.7 ms
(Link to these results)