| 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 | 40.7 | Very low | 59.2 | Low | 246 Ų | 246 | 142.2 Ų | 142.2 | 100% | 1.212 | 84% | 0.843 | S | S | * | * | 0 | 112.6 | 0 | -70.8 | -127.8 | 165.7 | 0 | 0 | 107.3 | |||||
| 2 | P | 66.7 | Low | 59 | Low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -108.5 | 137.7 | -177.2 | 36.1 | -24.7 | 0 | 0 | 0 | 112.2 | ||||
| 3 | E | 61.4 | Low | 59 | Low | 204 Ų | 204 | 146.9 Ų | 146.9 | 95% | 0.953 | 84% | 0.842 | S | S | * | * | trans | -151.7 | 132.9 | 160 | -65.2 | -172 | 108.7 | 0 | 0 | 104.7 | ||||
| 4 | G | 60.8 | Low | 58.8 | Low | 66 Ų | 66 | 144.1 Ų | 144.1 | 68% | 0.68 | 84% | 0.836 | S | S | * | * | cis | 128.4 | 115.3 | 21 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 5 | D | 69.8 | Low | 58.8 | Low | 173 Ų | 173 | 141 Ų | 141 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -169.7 | 129.7 | 147.9 | -105.9 | -42 | 0 | 0 | 0 | 112.3 | ||||
| 6 | Q | 55.2 | Low | 58.4 | Low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -114 | 143.4 | 177.2 | -79.1 | -114.5 | 7 | 0 | 0 | 108.3 | ||||
| 7 | V | 71.9 | Confident | 57.8 | Low | 142 Ų | 142 | 140.5 Ų | 140.5 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | -137.4 | 115.2 | 170 | 22 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 8 | S | 56.2 | Low | 57.8 | Low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | trans | -67.3 | 156.9 | 167.4 | -46.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | S | 60.1 | Low | 57.9 | Low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | 170.9 | 137 | 89.1 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 10 | S | 53.3 | Low | 57.5 | Low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | 10.1 | 144.3 | 144.8 | 52.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 11 | S | 55.6 | Low | 57.2 | Low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | 173.6 | 119.1 | 108.3 | -71.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 12 | S | 56 | Low | 57.9 | Low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -0.6 | 147.1 | 146.3 | -42.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 13 | R | 58.9 | Low | 57.5 | Low | 233 Ų | 233 | 126.2 Ų | 126.2 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 165.9 | 110.4 | 134.5 | -91 | 161.1 | 157.1 | -151.2 | -10.6 | 111.4 | ||||
| 14 | S | 56.8 | Low | 57.2 | Low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | 41.5 | 129.8 | 84.9 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 15 | S | 58.1 | Low | 57 | Low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | cis | -176.2 | 157.1 | 44.5 | -34.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 16 | Q | 53.4 | Low | 56.7 | Low | 186 Ų | 186 | 121.6 Ų | 121.6 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 45.3 | 122.6 | 138.4 | -66.6 | 165.4 | 17.5 | 0 | 0 | 120.9 | ||||
| 17 | A | 48.3 | Very low | 56.9 | Low | 88 Ų | 88 | 118.6 Ų | 118.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 92.4 | 137.4 | 61 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 18 | S | 57.7 | Low | 55.6 | Low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 67.8 | 145.5 | 167.2 | 49.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 19 | S | 58.5 | Low | 55.6 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | cis | -178 | 154.7 | 3 | 41.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 20 | G | 49.8 | Very low | 55.6 | Low | 86 Ų | 86 | 122.2 Ų | 122.2 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | 86.6 | 142.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 21 | G | 51.2 | Low | 55.6 | Low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | -175.6 | 147.9 | 2.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 22 | T | 55.9 | Low | 55.2 | Low | 146 Ų | 146 | 119.8 Ų | 119.8 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | 65.7 | 142.8 | 136.6 | 66 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 23 | S | 59.1 | Low | 55 | Low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 98.1 | 85.2 | 161.8 | -159 | 0 | 0 | 0 | 0 | 115 | ||||
| 24 | S | 55.2 | Low | 54.3 | Low | 109 Ų | 109 | 122.9 Ų | 122.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | 74 | 91.4 | 85 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 25 | S | 56.8 | Low | 53.6 | Low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -165.6 | 148 | 148.7 | -83.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | P | 63.5 | Low | 52.7 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -84.3 | 163.6 | -151 | 34.3 | -35.9 | 0 | 0 | 0 | 113.9 | W28 | P26-W28 PolarHBondContact O-N 3.09Š| ||
| 27 | P | 58.5 | Low | 52.3 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -79.6 | 117.3 | 174 | 31.9 | -30.1 | 0 | 0 | 0 | 110.1 | S29 | P27-S29 PolarHBondContact O-N 3.43Å; P27-S29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | W | 44.2 | Very low | 52.2 | Low | 229 Ų | 229 | 118 Ų | 118 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -59 | 113.3 | 160.3 | 165.4 | -73.3 | 0 | 0 | 0 | 108 | P26 | P26-W28 PolarHBondContact O-N 3.09Š| ||
| 29 | S | 57.7 | Low | 51.7 | Low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | -98 | 117 | 166 | -65.6 | 0 | 0 | 0 | 0 | 108 | P27 A31 | P27-S29 PolarHBondContact O-N 3.43Å; P27-S29 VanDerWaalsContact O-N 3.09Å; S29-A31 VanDerWaalsContact C-N 3.29Å; S29-A31 PolarHBondContact O-N 3.42Å | ||
| 30 | P | 59 | Low | 51 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | -81.9 | 88.9 | 154.4 | 28.7 | -17.2 | 0 | 0 | 0 | 106.5 | G32 | P30-G32 PolarHBondContact O-N 3.28Š| ||
| 31 | A | 54.4 | Low | 50.9 | Low | 104 Ų | 104 | 133.1 Ų | 133.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -66.1 | 88.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | S29 | S29-A31 VanDerWaalsContact C-N 3.29Å; S29-A31 PolarHBondContact O-N 3.42Å | ||
| 32 | G | 46.3 | Very low | 50.6 | Low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | -162.8 | 69.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P30 K34 | P30-G32 PolarHBondContact O-N 3.28Å; G32-K34 PolarHBondContact O-N 3.44Å | ||
| 33 | K | 52.3 | Low | 50 | Low | 207 Ų | 207 | 139.5 Ų | 139.5 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | trans | -60.1 | 102.6 | -176.7 | -59.6 | 174.9 | -179.9 | -174.1 | 0 | 110.6 | ||||
| 34 | K | 44.1 | Very low | 49.3 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -140.1 | 97.4 | 139.5 | -77.3 | -152.8 | 178.7 | -174.5 | 0 | 109.3 | G32 G36 | G32-K34 PolarHBondContact O-N 3.44Å; K34-G36 VanDerWaalsContact C-N 3.28Å; K34-G36 PolarHBondContact O-N 3.41Å | ||
| 35 | A | 41.6 | Very low | 48.9 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -63.3 | 93 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 36 | G | 39.7 | Very low | 48.3 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -104.9 | 82.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | K34 A38 | K34-G36 VanDerWaalsContact C-N 3.28Å; K34-G36 PolarHBondContact O-N 3.41Å; G36-A38 PolarHBondContact O-N 3.28Å | ||
| 37 | A | 44.3 | Very low | 47.2 | Very low | 81 Ų | 81 | 143 Ų | 143 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -51.4 | 132.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E39 | A37-E39 WeakPolarHBondContact O-CB 3.27Å; A37-E39 PolarHBondContact O-N 3.42Å | ||
| 38 | A | 47.6 | Very low | 46.4 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 93% | 0.934 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 23.2 | 33.8 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | G36 | G36-A38 PolarHBondContact O-N 3.28Š|
| 39 | E | 47 | Very low | 46.4 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -120 | 44.2 | -172.9 | -161.3 | -177.9 | 105.4 | 0 | 0 | 113.4 | A37 | A37-E39 WeakPolarHBondContact O-CB 3.27Å; A37-E39 PolarHBondContact O-N 3.42Å | ||
| 40 | K | 43.3 | Very low | 45.9 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | trans | -141.2 | 25.8 | 170.2 | -72.3 | -166 | 178.2 | 175.3 | 0 | 114.9 | ||||
| 41 | R | 47.6 | Very low | 45.4 | Very low | 253 Ų | 253 | 141.6 Ų | 141.6 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -111.5 | 45 | 174.3 | -70.6 | -177.2 | 176.4 | -111.4 | 2.1 | 112.2 | ||
| 42 | A | 44.2 | Very low | 45.4 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | -163 | 68.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A44 | A42-A44 PolarHBondContact O-N 3.19Š| ||
| 43 | R | 43.3 | Very low | 46.2 | Very low | 257 Ų | 257 | 143.4 Ų | 143.4 | 97% | 0.97 | 79% | 0.788 | S | S | * | * | trans | -77.1 | 57.8 | 158.1 | -160 | 159.4 | -172.5 | -164.1 | -0 | 108.6 | R45 | R43-R45 PolarHBondContact O-N 3.37Š| ||
| 44 | A | 45.5 | Very low | 47.8 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 58% | 0.579 | 77% | 0.768 | S | S | * | * | trans | -63.3 | 110.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | A42 | A42-A44 PolarHBondContact O-N 3.19Š| ||
| 45 | R | 45.7 | Very low | 50.1 | Low | 183 Ų | 183 | 129.4 Ų | 129.4 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | 56.3 | 56.8 | 78.4 | -158.6 | 179.8 | -178.9 | -133.5 | 1 | 110.9 | R43 T47 V107 | R43-R45 PolarHBondContact O-N 3.37Å; R45-T47 PolarHBondContact O-OG1 3.05Å; R45-V107 HydrophobicContact CG-CG2 4.48Å | |||
| 46 | E | 43.9 | Very low | 52.4 | Low | 180 Ų | 180 | 129.9 Ų | 129.9 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -109.4 | 102.3 | 152.2 | -69.5 | 168.4 | 170.6 | 0 | 0 | 102.6 | ||||
| 47 | T | 41.8 | Very low | 54.9 | Low | 93 Ų | 93 | 128 Ų | 128 | 57% | 0.571 | 69% | 0.694 | S | S | * | * | 30 | 103 | 59.7 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | R45 | R45-T47 PolarHBondContact O-OG1 3.05Š| |||
| 48 | T | 40.1 | Very low | 57.3 | Low | 127 Ų | 127 | 124.6 Ų | 124.6 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 103.2 | 99.9 | 153 | -41.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 49 | T | 45.6 | Very low | 59.5 | Low | 120 Ų | 120 | 123.3 Ų | 123.3 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 86.7 | 48.9 | 144.1 | -35.5 | 0 | 0 | 0 | 0 | 120.3 | ||
| 50 | D | 46.4 | Very low | 61.7 | Low | 146 Ų | 146 | 120.9 Ų | 120.9 | 78% | 0.781 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -144.4 | 142 | 151.1 | -77.4 | -57.7 | 0 | 0 | 0 | 108.7 | P52 | D50-P52 WeakPolarHBondContact O-CD 3.43Š|
| 51 | P | 48.5 | Very low | 64.1 | Low | 119 Ų | 119 | 117.6 Ų | 117.6 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | trans | -59.5 | 111.9 | 175.8 | 25.3 | -32 | 0 | 0 | 0 | 107.8 | S53 | P51-S53 PolarHBondContact O-N 2.89Š| ||
| 52 | P | 54.7 | Low | 66.2 | Low | 74 Ų | 74 | 111 Ų | 111 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | trans | -70.9 | 115 | -172.4 | 28.6 | -31.9 | 0 | 0 | 0 | 106.8 | D50 S54 Y55 | D50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-S54 PolarHBondContact O-N 3.01Å; P52-Y55 HydrophobicContact CG-CD1 4.34Å; P52-Y55 HydrophobicContact CG-CE1 4.41Å | ||
| 53 | S | 64.1 | Low | 68.3 | Low | 132 Ų | 132 | 116.8 Ų | 116.8 | 92% | 0.923 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -56 | -5 | 174.2 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | P51 | P51-S53 PolarHBondContact O-N 2.89Š|
| 54 | S | 84.8 | Confident | 70.7 | Confident | 66 Ų | 66 | 106.8 Ų | 106.8 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -153.5 | 127.9 | 163.1 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | P52 V58 | P52-S54 PolarHBondContact O-N 3.01Å; S54-V58 PolarHBondContact OG-O 3.1Å |
| 55 | Y | 91.7 | Very high | 73 | Confident | 51 Ų | 51 | 107.9 Ų | 107.9 | 20% | 0.2 | 58% | 0.579 | C | S | . | * | trans | -63.2 | 154.5 | 168.5 | -65 | -82.1 | 0 | 0 | 0 | 112 | P52 V58 P87 E88 A91 N109 F110 | P52-Y55 HydrophobicContact CG-CD1 4.34Å; P52-Y55 HydrophobicContact CG-CE1 4.41Å; Y55-V58 PolarHBondContact O-N 3.42Å; Y55-P87 HydrophobicContact CD2-CB 3.8Å; Y55-P87 HydrophobicContact CE2-CB 3.88Å; Y55-P87 HydrophobicContact CE2-CG 4.29Å; Y55-E88 HydrophobicContact CE2-CG 4.35Å; Y55-A91 HydrophobicContact CD1-CB 3.75Å; Y55-A91 HydrophobicContact CD2-CB 4.15Å; Y55-A91 HydrophobicContact CE1-CB 4.45Å; Y55-A91 HydrophobicContact CG-CB 3.57Å; Y55-N109 HydrophobicContact CD1-CB 4.13Å; Y55-F110 HydrophobicContact CD1-CZ 4.22Å; Y55-F110 AromaticContact CE1-CE1 3.98Å; Y55-F110 HydrophobicContact CE1-CE1 3.98Å; Y55-F110 AromaticContact CE1-CZ 3.64Å; Y55-F110 HydrophobicContact CE1-CZ 3.64Å | ||
| 56 | R | 91.8 | Very high | 75.3 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | 132.7 | 178.3 | -59.8 | 173.4 | 68.3 | -115.8 | 5.4 | 109.6 | V58 H94 V107 N109 | R56-V58 PolarHBondContact O-N 2.66Å; R56-H94 PolarHBondContact O-CD2 3.25Å; R56-H94 VanDerWaalsContact O-CD2 3.24Å; R56-V107 PolarHBondContact NH1-O 2.98Å; R56-N109 VanDerWaalsContact CB-OD1 3.28Å; R56-N109 WeakPolarHBondContact CB-OD1 3.45Å; R56-N109 WeakPolarHBondContact CG-OD1 2.96Å; R56-N109 PolarHBondContact N-OD1 3.12Å; R56-N109 PolarHBondContact O-ND2 3.31Å |
| 57 | G | 91.8 | Very high | 77.7 | Confident | 33 Ų | 33 | 93.1 Ų | 93.1 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 0.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | E69 | G57-E69 PolarHBondContact O-N 2.8Š|
| 58 | V | 94.1 | Very high | 80.3 | Confident | 9 Ų | 9 | 88.7 Ų | 88.7 | 6% | 0.055 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.4 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | S54 Y55 R56 W66 V67 A90 A91 | S54-V58 PolarHBondContact OG-O 3.1Å; Y55-V58 PolarHBondContact O-N 3.42Å; R56-V58 PolarHBondContact O-N 2.66Å; V58-W66 HydrophobicContact CG1-CB 4.24Å; V58-W66 HydrophobicContact CG1-CD2 4.33Å; V58-W66 HydrophobicContact CG1-CE3 3.53Å; V58-W66 HydrophobicContact CG1-CZ3 4.21Å; V58-V67 WeakPolarHBondContact CA-O 3.11Å; V58-A90 HydrophobicContact CB-CB 4.33Å; V58-A90 HydrophobicContact CG1-CB 3.74Å; V58-A90 HydrophobicContact CG2-CB 3.67Å; V58-A91 HydrophobicContact CG2-CB 3.99Å |
| 59 | R | 93.8 | Very high | 82.9 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.6 | 173.9 | 63.2 | 177.7 | -178.3 | 73.6 | 1.5 | 111.4 | V67 E69 | R59-V67 HydrophobicContact CG-CB 3.99Å; R59-V67 PolarHBondContact N-O 3.43Å; R59-V67 PolarHBondContact O-N 3.44Å; R59-E69 IonicContact CZ-OE2 3.31Å; R59-E69 IonicContact NE-OE2 2.82Å; R59-E69 PolarHBondContact NE-OE2 2.93Å; R59-E69 IonicContact NH2-OE2 2.84Å |
| 60 | M | 93.6 | Very high | 85.2 | Confident | 126 Ų | 126 | 79.4 Ų | 79.4 | 62% | 0.621 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.2 | 172.1 | -167.9 | 165.5 | 63.6 | 0 | 0 | 109.9 | W66 | M60-W66 HydrophobicContact CB-CD2 4.41Å; M60-W66 HydrophobicContact CB-CE3 3.87Å; M60-W66 HydrophobicContact CB-CH2 4.19Å; M60-W66 HydrophobicContact CB-CZ3 3.78Å; M60-W66 HydrophobicContact CG-CE3 4.47Å; M60-W66 HydrophobicContact CG-CZ3 4.48Å; M60-W66 HydrophobicContact SD-CH2 3.95Å; M60-W66 HydrophobicContact SD-CZ2 3.78Å; M60-W66 HydrophobicContact SD-CZ3 4.48Å |
| 61 | R | 93.5 | Very high | 87.4 | Confident | 138 Ų | 138 | 80.2 Ų | 80.2 | 52% | 0.521 | 42% | 0.421 | S | S | . | . | trans | -96.5 | 157.5 | 170.3 | -176.2 | 173.4 | -77.4 | 165.5 | -4.9 | 109.4 | W63 G64 K65 | R61-W63 HydrophobicContact CG-CB 4.48Å; R61-W63 PolarHBondContact O-N 3.12Å; R61-G64 PolarHBondContact O-N 3.16Å; R61-K65 PolarHBondContact N-O 3.03Å | ||
| 62 | A | 91.9 | Very high | 89.2 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 95% | 0.95 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -22.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G64 | A62-G64 PolarHBondContact O-N 3.35Š|
| 63 | W | 88.5 | Confident | 90.7 | Very high | 206 Ų | 206 | 77 Ų | 77 | 78% | 0.78 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -8.1 | 172.4 | -176.8 | -113.5 | 0 | 0 | 0 | 114.2 | R61 K65 | R61-W63 HydrophobicContact CG-CB 4.48Å; R61-W63 PolarHBondContact O-N 3.12Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 HydrophobicContact CG-CG 4.42Å; W63-K65 PolarHBondContact O-N 3.31Å |
| 64 | G | 92.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 82.3 Ų | 82.3 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 77.9 | 14.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R61 A62 | R61-G64 PolarHBondContact O-N 3.16Å; A62-G64 PolarHBondContact O-N 3.35Å |
| 65 | K | 93.8 | Very high | 92 | Very high | 93 Ų | 93 | 83.8 Ų | 83.8 | 40% | 0.404 | 40% | 0.396 | S | S | . | . | trans | -103 | 142.4 | 172.2 | -61.9 | -66.9 | -178.1 | -176.4 | 0 | 110.9 | R61 W63 | R61-K65 PolarHBondContact N-O 3.03Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 HydrophobicContact CG-CG 4.42Å; W63-K65 PolarHBondContact O-N 3.31Å | ||
| 66 | W | 95.1 | Very high | 91.8 | Very high | 50 Ų | 50 | 91.9 Ų | 91.9 | 19% | 0.189 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.3 | 174.7 | -60 | 90.7 | 0 | 0 | 0 | 109 | V58 M60 T83 F84 P87 A90 | V58-W66 HydrophobicContact CG1-CB 4.24Å; V58-W66 HydrophobicContact CG1-CD2 4.33Å; V58-W66 HydrophobicContact CG1-CE3 3.53Å; V58-W66 HydrophobicContact CG1-CZ3 4.21Å; M60-W66 HydrophobicContact CB-CD2 4.41Å; M60-W66 HydrophobicContact CB-CE3 3.87Å; M60-W66 HydrophobicContact CB-CH2 4.19Å; M60-W66 HydrophobicContact CB-CZ3 3.78Å; M60-W66 HydrophobicContact CG-CE3 4.47Å; M60-W66 HydrophobicContact CG-CZ3 4.48Å; M60-W66 HydrophobicContact SD-CH2 3.95Å; M60-W66 HydrophobicContact SD-CZ2 3.78Å; M60-W66 HydrophobicContact SD-CZ3 4.48Å; W66-T83 CarbonylContact O-C 3.48Å; W66-T83 VanDerWaalsContact O-CA 3.26Å; W66-T83 WeakPolarHBondContact O-CA 3.23Å; W66-F84 WeakPolarHBondContact CB-O 3.43Å; W66-F84 PolarHBondContact N-O 3.33Å; W66-F84 PolarHBondContact O-N 2.84Å; W66-P87 HydrophobicContact CD2-CB 3.68Å; W66-P87 HydrophobicContact CD2-CG 4.31Å; W66-P87 HydrophobicContact CE3-CB 3.81Å; W66-P87 HydrophobicContact CG-CB 4.28Å; W66-P87 HydrophobicContact CH2-CB 3.88Å; W66-P87 HydrophobicContact CH2-CG 4.17Å; W66-P87 HydrophobicContact CZ2-CB 3.81Å; W66-P87 HydrophobicContact CZ2-CG 3.75Å; W66-P87 HydrophobicContact CZ3-CB 3.88Å; W66-A90 HydrophobicContact CB-CB 4Å |
| 67 | V | 94.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 89.6 Ų | 89.6 | 2% | 0.018 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.5 | 179 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | V58 R59 T83 | V58-V67 WeakPolarHBondContact CA-O 3.11Å; R59-V67 HydrophobicContact CG-CB 3.99Å; R59-V67 PolarHBondContact N-O 3.43Å; R59-V67 PolarHBondContact O-N 3.44Å; V67-T83 HydrophobicContact CB-CG2 4.47Å; V67-T83 HydrophobicContact CG1-CG2 4.18Å; V67-T83 HydrophobicContact CG2-CG2 4.02Å |
| 68 | S | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 94.7 Ų | 94.7 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.4 | 173.7 | -164.1 | 0 | 0 | 0 | 0 | 110.1 | L81 G82 A90 | S68-L81 WeakPolarHBondContact O-CB 3.26Å; S68-L81 PolarHBondContact O-N 3.23Å; S68-G82 PolarHBondContact N-O 2.82Å; S68-G82 VanDerWaalsContact N-O 3.07Å; S68-G82 PolarHBondContact O-N 2.85Å; S68-A90 WeakPolarHBondContact CB-O 3.44Å; S68-A90 PolarHBondContact OG-O 2.78Å |
| 69 | E | 94.6 | Very high | 91.8 | Very high | 42 Ų | 42 | 94.6 Ų | 94.6 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 154.5 | 176.9 | 64.6 | -176.3 | -121.6 | 0 | 0 | 110.4 | G57 R59 R78 I79 H94 | G57-E69 PolarHBondContact O-N 2.8Å; R59-E69 IonicContact CZ-OE2 3.31Å; R59-E69 IonicContact NE-OE2 2.82Å; R59-E69 PolarHBondContact NE-OE2 2.93Å; R59-E69 IonicContact NH2-OE2 2.84Å; E69-R78 IonicContact OE1-NH1 3.43Å; E69-R78 PolarHBondContact OE1-NH1 2.84Å; E69-I79 WeakPolarHBondContact CA-O 3.26Å; E69-H94 PolarHBondContact O-CE1 3.14Å; E69-H94 VanDerWaalsContact O-CE1 3.28Å; E69-H94 PolarHBondContact O-ND1 3.35Å |
| 70 | I | 93.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 97.4 Ų | 97.4 | 5% | 0.051 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.8 | 176.2 | -167.8 | 161.7 | 0 | 0 | 0 | 111.9 | I79 L81 A97 A98 V101 | I70-I79 HydrophobicContact CG2-CB 3.88Å; I70-I79 HydrophobicContact CG2-CD1 4.45Å; I70-I79 PolarHBondContact N-O 3.33Å; I70-I79 PolarHBondContact O-N 3.03Å; I70-L81 HydrophobicContact CB-CD1 4.38Å; I70-L81 HydrophobicContact CG2-CD1 4.44Å; I70-L81 HydrophobicContact CG2-CD2 4.1Å; I70-L81 HydrophobicContact CG2-CG 4.44Å; I70-A97 HydrophobicContact CB-CB 4.49Å; I70-A97 HydrophobicContact CD1-CB 4.05Å; I70-A97 HydrophobicContact CG2-CB 4.17Å; I70-A98 HydrophobicContact CD1-CB 4.17Å; I70-V101 HydrophobicContact CD1-CB 3.82Å; I70-V101 HydrophobicContact CD1-CG1 4.19Å; I70-V101 HydrophobicContact CD1-CG2 3.94Å; I70-V101 HydrophobicContact CG1-CG1 4.43Å; I70-V101 HydrophobicContact CG1-CG2 4.46Å; I70-V101 HydrophobicContact CG2-CG2 4.31Å |
| 71 | R | 92.6 | Very high | 91.9 | Very high | 163 Ų | 163 | 92 Ų | 92 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.9 | 173.6 | -62 | -176.1 | 178.8 | -146.4 | 7.5 | 108.9 | R78 | R71-R78 HydrophobicContact CG-CG 4.37Å |
| 72 | E | 87.4 | Confident | 92 | Very high | 24 Ų | 24 | 85.9 Ų | 85.9 | 11% | 0.112 | 41% | 0.407 | C | S | . | . | trans | -81.6 | 137.9 | 173.3 | -49.9 | -169.8 | -153.7 | 0 | 0 | 110 | R74 K75 I79 V101 | E72-R74 VanDerWaalsContact C-N 3.25Å; E72-R74 PolarHBondContact O-N 3.35Å; E72-K75 HydrophobicContact CB-CB 4.12Å; E72-K75 HydrophobicContact CB-CG 4.35Å; E72-K75 IonicContact OE1-NZ 3.53Å; E72-K75 PolarHBondContact OE1-NZ 3.39Å; E72-K75 WeakPolarHBondContact OE2-CD 3.38Å; E72-K75 WeakPolarHBondContact OE2-CE 3.39Å; E72-K75 WeakPolarHBondContact OE2-CG 3.5Å; E72-K75 IonicContact OE2-NZ 3.9Å; E72-K75 PolarHBondContact OE2-NZ 3.25Å; E72-I79 HydrophobicContact CG-CD1 4.45Å; E72-I79 VanDerWaalsContact OE1-CD1 3.23Å; E72-I79 WeakPolarHBondContact OE1-CD1 3.22Å; E72-V101 HydrophobicContact CB-CG1 3.8Å; E72-V101 HydrophobicContact CG-CB 4.45Å; E72-V101 HydrophobicContact CG-CG1 3.58Å; E72-V101 HydrophobicContact CG-CG2 4.01Å | ||
| 73 | P | 86.1 | Confident | 92.2 | Very high | 101 Ų | 101 | 84 Ų | 84 | 66% | 0.656 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -69.4 | -25.1 | 179.7 | 27.1 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 74 | R | 87 | Confident | 92.5 | Very high | 244 Ų | 244 | 75.2 Ų | 75.2 | 92% | 0.921 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -90.4 | -21.9 | -178 | -70.1 | -176.9 | 169.1 | 176.9 | -3.3 | 113.5 | E72 | E72-R74 VanDerWaalsContact C-N 3.25Å; E72-R74 PolarHBondContact O-N 3.35Å |
| 75 | K | 87.7 | Confident | 92.6 | Very high | 98 Ų | 98 | 76.8 Ų | 76.8 | 43% | 0.426 | 35% | 0.353 | S | S | . | . | trans | -112.5 | 145 | -176.1 | -55.5 | -174.6 | -166.6 | 144.5 | 0 | 109.8 | E72 S77 | E72-K75 HydrophobicContact CB-CB 4.12Å; E72-K75 HydrophobicContact CB-CG 4.35Å; E72-K75 IonicContact OE1-NZ 3.53Å; E72-K75 PolarHBondContact OE1-NZ 3.39Å; E72-K75 WeakPolarHBondContact OE2-CD 3.38Å; E72-K75 WeakPolarHBondContact OE2-CE 3.39Å; E72-K75 WeakPolarHBondContact OE2-CG 3.5Å; E72-K75 IonicContact OE2-NZ 3.9Å; E72-K75 PolarHBondContact OE2-NZ 3.25Å; K75-S77 PolarHBondContact O-N 3.48Å | ||
| 76 | K | 89.4 | Confident | 92.6 | Very high | 220 Ų | 220 | 74.4 Ų | 74.4 | 96% | 0.957 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -75.2 | -13 | 169.7 | -166.1 | 173.5 | 178.5 | -178.5 | 0 | 112.4 | ||
| 77 | S | 90.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 73.1 Ų | 73.1 | 52% | 0.524 | 35% | 0.345 | S | S | . | . | trans | -76.9 | 153 | -178.6 | -167.6 | 0 | 0 | 0 | 0 | 112.3 | K75 | K75-S77 PolarHBondContact O-N 3.48Š| ||
| 78 | R | 92.7 | Very high | 92.5 | Very high | 139 Ų | 139 | 76.3 Ų | 76.3 | 53% | 0.525 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.4 | 172.3 | -54.5 | -174.4 | -170.6 | -176.9 | 11.3 | 108.5 | E69 R71 | E69-R78 IonicContact OE1-NH1 3.43Å; E69-R78 PolarHBondContact OE1-NH1 2.84Å; R71-R78 HydrophobicContact CG-CG 4.37Å |
| 79 | I | 93.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 78.4 Ų | 78.4 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.3 | 172.6 | -57 | 171.4 | 0 | 0 | 0 | 107.4 | E69 I70 E72 L81 P125 | E69-I79 WeakPolarHBondContact CA-O 3.26Å; I70-I79 HydrophobicContact CG2-CB 3.88Å; I70-I79 HydrophobicContact CG2-CD1 4.45Å; I70-I79 PolarHBondContact N-O 3.33Å; I70-I79 PolarHBondContact O-N 3.03Å; E72-I79 HydrophobicContact CG-CD1 4.45Å; E72-I79 VanDerWaalsContact OE1-CD1 3.23Å; E72-I79 WeakPolarHBondContact OE1-CD1 3.22Å; I79-L81 HydrophobicContact CG2-CD2 4.02Å; I79-P125 HydrophobicContact CD1-CB 4.47Å; I79-P125 HydrophobicContact CD1-CG 4.38Å; I79-P125 HydrophobicContact CG1-CB 4.41Å; I79-P125 HydrophobicContact CG1-CG 4.43Å; I79-P125 HydrophobicContact CG2-CB 4.2Å |
| 80 | W | 94.5 | Very high | 92.4 | Very high | 145 Ų | 145 | 76.4 Ų | 76.4 | 55% | 0.549 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.7 | 169.2 | 176.3 | 51.4 | 0 | 0 | 0 | 108.4 | G82 T83 Q129 | W80-G82 PolarHBondContact NE1-O 2.98Å; W80-T83 HydrophobicContact CZ2-CG2 4Å; W80-Q129 WeakPolarHBondContact O-CG 3.48Å; W80-Q129 PolarHBondContact O-NE2 2.9Å |
| 81 | L | 95.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.063 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -38.4 | -175.7 | -58.1 | 174.7 | 0 | 0 | 0 | 111.2 | S68 I70 I79 A97 V128 A132 | S68-L81 WeakPolarHBondContact O-CB 3.26Å; S68-L81 PolarHBondContact O-N 3.23Å; I70-L81 HydrophobicContact CB-CD1 4.38Å; I70-L81 HydrophobicContact CG2-CD1 4.44Å; I70-L81 HydrophobicContact CG2-CD2 4.1Å; I70-L81 HydrophobicContact CG2-CG 4.44Å; I79-L81 HydrophobicContact CG2-CD2 4.02Å; L81-A97 HydrophobicContact CD1-CB 3.54Å; L81-A97 HydrophobicContact CD2-CB 3.57Å; L81-A97 HydrophobicContact CG-CB 4.21Å; L81-V128 HydrophobicContact CD2-CG1 3.6Å; L81-A132 HydrophobicContact CB-CB 4.26Å; L81-A132 HydrophobicContact CD2-CB 4.32Å |
| 82 | G | 95.7 | Very high | 92.5 | Very high | 10 Ų | 10 | 68.4 Ų | 68.4 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.8 | -175.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | S68 W80 | S68-G82 PolarHBondContact N-O 2.82Å; S68-G82 VanDerWaalsContact N-O 3.07Å; S68-G82 PolarHBondContact O-N 2.85Å; W80-G82 PolarHBondContact NE1-O 2.98Å |
| 83 | T | 96 | Very high | 92.9 | Very high | 75 Ų | 75 | 67.3 Ų | 67.3 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.6 | 171.6 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | W66 V67 W80 | W66-T83 CarbonylContact O-C 3.48Å; W66-T83 VanDerWaalsContact O-CA 3.26Å; W66-T83 WeakPolarHBondContact O-CA 3.23Å; V67-T83 HydrophobicContact CB-CG2 4.47Å; V67-T83 HydrophobicContact CG1-CG2 4.18Å; V67-T83 HydrophobicContact CG2-CG2 4.02Å; W80-T83 HydrophobicContact CZ2-CG2 4Å |
| 84 | F | 95 | Very high | 93.3 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 10% | 0.101 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.9 | -171 | -56.5 | -80.6 | 0 | 0 | 0 | 110.7 | W66 M89 A90 A93 A136 | W66-F84 WeakPolarHBondContact CB-O 3.43Å; W66-F84 PolarHBondContact N-O 3.33Å; W66-F84 PolarHBondContact O-N 2.84Å; F84-M89 HydrophobicContact CB-CB 3.98Å; F84-M89 HydrophobicContact CD1-CB 4.16Å; F84-M89 HydrophobicContact CG-CB 4.22Å; F84-A90 HydrophobicContact CB-CB 4.07Å; F84-A90 VanDerWaalsContact CD2-CA 3.44Å; F84-A90 HydrophobicContact CD2-CB 3.68Å; F84-A90 HydrophobicContact CG-CB 4.2Å; F84-A93 HydrophobicContact CD2-CB 4.47Å; F84-A93 HydrophobicContact CE1-CB 4.32Å; F84-A93 HydrophobicContact CE2-CB 3.57Å; F84-A93 HydrophobicContact CZ-CB 3.48Å; F84-A93 VanDerWaalsContact CZ-CB 3.48Å; F84-A136 HydrophobicContact CD1-CB 3.8Å; F84-A136 HydrophobicContact CE1-CB 3.31Å; F84-A136 HydrophobicContact CZ-CB 4.05Å |
| 85 | P | 93.3 | Very high | 93.7 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -74.6 | -29.3 | 177.8 | 29.4 | -33.6 | 0 | 0 | 0 | 112.5 | M89 | P85-M89 HydrophobicContact CG-SD 3.84Š|
| 86 | T | 93.6 | Very high | 94 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -116.1 | 149.9 | -179.2 | 70 | 0 | 0 | 0 | 0 | 111.5 | E88 M89 A90 | T86-E88 VanDerWaalsContact C-N 3.28Å; T86-E88 WeakPolarHBondContact CB-OE2 3.3Å; T86-E88 PolarHBondContact O-N 3.18Å; T86-M89 VanDerWaalsContact OG1-CB 3.28Å; T86-M89 WeakPolarHBondContact OG1-CB 3.39Å; T86-M89 WeakPolarHBondContact OG1-CG 3.21Å; T86-M89 PolarHBondContact OG1-N 3.07Å; T86-A90 PolarHBondContact O-N 3.28Å |
| 87 | P | 94.1 | Very high | 94.2 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -31.5 | 175.6 | 24.5 | -28.8 | 0 | 0 | 0 | 112.1 | Y55 W66 A90 A91 | Y55-P87 HydrophobicContact CD2-CB 3.8Å; Y55-P87 HydrophobicContact CE2-CB 3.88Å; Y55-P87 HydrophobicContact CE2-CG 4.29Å; W66-P87 HydrophobicContact CD2-CB 3.68Å; W66-P87 HydrophobicContact CD2-CG 4.31Å; W66-P87 HydrophobicContact CE3-CB 3.81Å; W66-P87 HydrophobicContact CG-CB 4.28Å; W66-P87 HydrophobicContact CH2-CB 3.88Å; W66-P87 HydrophobicContact CH2-CG 4.17Å; W66-P87 HydrophobicContact CZ2-CB 3.81Å; W66-P87 HydrophobicContact CZ2-CG 3.75Å; W66-P87 HydrophobicContact CZ3-CB 3.88Å; P87-A90 PolarHBondContact O-N 3.42Å; P87-A91 WeakPolarHBondContact O-CB 3.4Å; P87-A91 PolarHBondContact O-N 3.41Å |
| 88 | E | 93.5 | Very high | 94.3 | Very high | 70 Ų | 70 | 33.5 Ų | 33.5 | 33% | 0.327 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 179.1 | -61.1 | 72.9 | -157.8 | 0 | 0 | 111.1 | Y55 T86 A90 A91 R92 F110 | Y55-E88 HydrophobicContact CE2-CG 4.35Å; T86-E88 VanDerWaalsContact C-N 3.28Å; T86-E88 WeakPolarHBondContact CB-OE2 3.3Å; T86-E88 PolarHBondContact O-N 3.18Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 2.87Å; E88-A91 PolarHBondContact O-N 3.01Å; E88-A91 VanDerWaalsContact O-N 3.16Å; E88-R92 PolarHBondContact O-N 2.98Å; E88-F110 HydrophobicContact CB-CZ 4.44Å |
| 89 | M | 94.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 21% | 0.212 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.1 | -75.9 | 175.8 | -172.9 | 0 | 0 | 111.1 | F84 P85 T86 A91 R92 A93 A136 | F84-M89 HydrophobicContact CB-CB 3.98Å; F84-M89 HydrophobicContact CD1-CB 4.16Å; F84-M89 HydrophobicContact CG-CB 4.22Å; P85-M89 HydrophobicContact CG-SD 3.84Å; T86-M89 VanDerWaalsContact OG1-CB 3.28Å; T86-M89 WeakPolarHBondContact OG1-CB 3.39Å; T86-M89 WeakPolarHBondContact OG1-CG 3.21Å; T86-M89 PolarHBondContact OG1-N 3.07Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.07Å; M89-R92 PolarHBondContact O-N 2.95Å; M89-A93 WeakPolarHBondContact O-CB 3.46Å; M89-A93 PolarHBondContact O-N 3.06Å; M89-A136 HydrophobicContact CB-CB 4.42Å |
| 90 | A | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V58 W66 S68 F84 T86 P87 E88 H94 | V58-A90 HydrophobicContact CB-CB 4.33Å; V58-A90 HydrophobicContact CG1-CB 3.74Å; V58-A90 HydrophobicContact CG2-CB 3.67Å; W66-A90 HydrophobicContact CB-CB 4Å; S68-A90 WeakPolarHBondContact CB-O 3.44Å; S68-A90 PolarHBondContact OG-O 2.78Å; F84-A90 HydrophobicContact CB-CB 4.07Å; F84-A90 VanDerWaalsContact CD2-CA 3.44Å; F84-A90 HydrophobicContact CD2-CB 3.68Å; F84-A90 HydrophobicContact CG-CB 4.2Å; T86-A90 PolarHBondContact O-N 3.28Å; P87-A90 PolarHBondContact O-N 3.42Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 2.87Å; A90-H94 PolarHBondContact O-N 3.25Å |
| 91 | A | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y55 V58 P87 E88 M89 A93 H94 D95 N109 F110 | Y55-A91 HydrophobicContact CD1-CB 3.75Å; Y55-A91 HydrophobicContact CD2-CB 4.15Å; Y55-A91 HydrophobicContact CE1-CB 4.45Å; Y55-A91 HydrophobicContact CG-CB 3.57Å; V58-A91 HydrophobicContact CG2-CB 3.99Å; P87-A91 WeakPolarHBondContact O-CB 3.4Å; P87-A91 PolarHBondContact O-N 3.41Å; E88-A91 PolarHBondContact O-N 3.01Å; E88-A91 VanDerWaalsContact O-N 3.16Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.07Å; A91-A93 VanDerWaalsContact C-N 3.35Å; A91-A93 PolarHBondContact O-N 3.17Å; A91-H94 WeakPolarHBondContact O-CB 3.47Å; A91-H94 PolarHBondContact O-N 3.19Å; A91-H94 VanDerWaalsContact O-N 3.12Å; A91-D95 PolarHBondContact O-N 3.22Å; A91-N109 HydrophobicContact CB-CB 4.31Å; A91-F110 HydrophobicContact CB-CD2 4.47Å; A91-F110 HydrophobicContact CB-CE2 3.51Å; A91-F110 HydrophobicContact CB-CZ 4.07Å |
| 92 | R | 93.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 172.6 | -69.6 | -163.9 | -62.5 | -115.3 | 3.5 | 112.1 | E88 M89 H94 D95 A96 F110 M113 A135 A136 M138 | E88-R92 PolarHBondContact O-N 2.98Å; M89-R92 PolarHBondContact O-N 2.95Å; R92-H94 VanDerWaalsContact C-N 3.27Å; R92-H94 PolarHBondContact O-N 3.34Å; R92-D95 PolarHBondContact O-N 2.74Å; R92-A96 PolarHBondContact O-N 2.94Å; R92-A96 VanDerWaalsContact O-N 3.11Å; R92-F110 HydrophobicContact CG-CD2 3.84Å; R92-F110 HydrophobicContact CG-CE2 3.76Å; R92-M113 HydrophobicContact CG-SD 4.13Å; R92-A135 PolarHBondContact NE-O 3.48Å; R92-A135 VanDerWaalsContact NE-O 3.14Å; R92-A136 PolarHBondContact NH2-O 3.14Å; R92-M138 PolarHBondContact NE-O 3.25Å; R92-M138 PolarHBondContact NH1-O 3.49Å; R92-M138 VanDerWaalsContact NH1-O 3.1Å; R92-M138 PolarHBondContact NH2-O 3.38Å |
| 93 | A | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F84 M89 A91 A97 A132 A136 | F84-A93 HydrophobicContact CD2-CB 4.47Å; F84-A93 HydrophobicContact CE1-CB 4.32Å; F84-A93 HydrophobicContact CE2-CB 3.57Å; F84-A93 HydrophobicContact CZ-CB 3.48Å; F84-A93 VanDerWaalsContact CZ-CB 3.48Å; M89-A93 WeakPolarHBondContact O-CB 3.46Å; M89-A93 PolarHBondContact O-N 3.06Å; A91-A93 VanDerWaalsContact C-N 3.35Å; A91-A93 PolarHBondContact O-N 3.17Å; A93-A97 PolarHBondContact O-N 2.94Å; A93-A132 HydrophobicContact CB-CB 4.03Å; A93-A136 HydrophobicContact CB-CB 4.38Å |
| 94 | H | 95.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 33.6 Ų | 33.6 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 176.6 | -168.1 | 73.2 | 0 | 0 | 0 | 112.3 | R56 E69 A90 A91 R92 A97 A98 | R56-H94 PolarHBondContact O-CD2 3.25Å; R56-H94 VanDerWaalsContact O-CD2 3.24Å; E69-H94 PolarHBondContact O-CE1 3.14Å; E69-H94 VanDerWaalsContact O-CE1 3.28Å; E69-H94 PolarHBondContact O-ND1 3.35Å; A90-H94 PolarHBondContact O-N 3.25Å; A91-H94 WeakPolarHBondContact O-CB 3.47Å; A91-H94 PolarHBondContact O-N 3.19Å; A91-H94 VanDerWaalsContact O-N 3.12Å; R92-H94 VanDerWaalsContact C-N 3.27Å; R92-H94 PolarHBondContact O-N 3.34Å; H94-A97 PolarHBondContact O-N 3.05Å; H94-A98 WeakPolarHBondContact O-CB 3.47Å; H94-A98 PolarHBondContact O-N 3.34Å |
| 95 | D | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | -178.8 | -73.3 | -8.4 | 0 | 0 | 0 | 111.9 | A91 R92 A97 A98 L99 L108 N109 F110 L117 | A91-D95 PolarHBondContact O-N 3.22Å; R92-D95 PolarHBondContact O-N 2.74Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 2.54Å; D95-A98 PolarHBondContact O-N 2.78Å; D95-L99 WeakPolarHBondContact O-CG 3.49Å; D95-L99 PolarHBondContact O-N 3.28Å; D95-L99 VanDerWaalsContact O-N 3.09Å; D95-L108 HydrophobicContact CB-CB 4.29Å; D95-L108 HydrophobicContact CB-CD2 4.05Å; D95-N109 VanDerWaalsContact CG-N 3.29Å; D95-N109 PolarHBondContact OD1-N 3.43Å; D95-N109 PolarHBondContact OD1-ND2 3.06Å; D95-N109 WeakPolarHBondContact OD2-CB 3.28Å; D95-N109 PolarHBondContact OD2-N 3.35Å; D95-F110 WeakPolarHBondContact OD2-CD2 3.37Å; D95-F110 PolarHBondContact OD2-N 3.38Å; D95-L117 HydrophobicContact CB-CD1 3.68Å |
| 96 | A | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R92 V100 A135 | R92-A96 PolarHBondContact O-N 2.94Å; R92-A96 VanDerWaalsContact O-N 3.11Å; A96-V100 WeakPolarHBondContact O-CG2 3.28Å; A96-A135 HydrophobicContact CB-CB 3.62Å |
| 97 | A | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.8 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I70 L81 A93 H94 D95 L99 V100 V101 V128 | I70-A97 HydrophobicContact CB-CB 4.49Å; I70-A97 HydrophobicContact CD1-CB 4.05Å; I70-A97 HydrophobicContact CG2-CB 4.17Å; L81-A97 HydrophobicContact CD1-CB 3.54Å; L81-A97 HydrophobicContact CD2-CB 3.57Å; L81-A97 HydrophobicContact CG-CB 4.21Å; A93-A97 PolarHBondContact O-N 2.94Å; H94-A97 PolarHBondContact O-N 3.05Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 2.54Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 2.9Å; A97-V100 PolarHBondContact O-N 3.44Å; A97-V101 PolarHBondContact O-N 3.24Å; A97-V101 VanDerWaalsContact O-N 3.07Å; A97-V128 HydrophobicContact CB-CG1 3.59Å |
| 98 | A | 93.5 | Very high | 91.8 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I70 H94 D95 V100 V101 K102 A106 L108 | I70-A98 HydrophobicContact CD1-CB 4.17Å; H94-A98 WeakPolarHBondContact O-CB 3.47Å; H94-A98 PolarHBondContact O-N 3.34Å; D95-A98 PolarHBondContact O-N 2.78Å; A98-V100 PolarHBondContact O-N 2.84Å; A98-V101 PolarHBondContact O-N 3.22Å; A98-K102 WeakPolarHBondContact O-CA 3.47Å; A98-K102 WeakPolarHBondContact O-CB 3.39Å; A98-K102 PolarHBondContact O-N 2.65Å; A98-A106 HydrophobicContact CB-CB 4.23Å; A98-L108 HydrophobicContact CB-CD2 3.95Å |
| 99 | L | 91.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 31.4 Ų | 31.4 | 18% | 0.183 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.2 | -33.6 | 175.1 | -75.6 | 172.2 | 0 | 0 | 0 | 112.8 | D95 A97 G103 L108 L117 | D95-L99 WeakPolarHBondContact O-CG 3.49Å; D95-L99 PolarHBondContact O-N 3.28Å; D95-L99 VanDerWaalsContact O-N 3.09Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 2.9Å; L99-G103 CarbonylContact O-C 3.31Å; L99-G103 VanDerWaalsContact O-C 3.31Å; L99-G103 WeakPolarHBondContact O-CA 3.46Å; L99-G103 PolarHBondContact O-N 3.5Å; L99-G103 VanDerWaalsContact O-N 3.13Å; L99-L108 HydrophobicContact CD1-CD1 4.38Å; L99-L108 HydrophobicContact CD2-CD1 4Å; L99-L108 HydrophobicContact CD2-CD2 4.28Å; L99-L108 HydrophobicContact CG-CD1 4.16Å; L99-L108 HydrophobicContact CG-CD2 4.12Å; L99-L117 HydrophobicContact CD1-CB 4.16Å; L99-L117 HydrophobicContact CD1-CD1 3.99Å |
| 100 | V | 91 | Very high | 91.6 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 22% | 0.218 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -85.4 | -48.1 | -175.2 | -173 | 0 | 0 | 0 | 0 | 110.9 | A96 A97 A98 P120 A123 V128 | A96-V100 WeakPolarHBondContact O-CG2 3.28Å; A97-V100 PolarHBondContact O-N 3.44Å; A98-V100 PolarHBondContact O-N 2.84Å; V100-P120 HydrophobicContact CB-CG 4.18Å; V100-P120 HydrophobicContact CG1-CG 4.12Å; V100-P120 HydrophobicContact CG2-CG 3.05Å; V100-A123 HydrophobicContact CG1-CB 4.02Å; V100-V128 HydrophobicContact CB-CG2 4.34Å; V100-V128 HydrophobicContact CG1-CG2 3.97Å |
| 101 | V | 90.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.3 | -39.1 | -174.1 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | I70 E72 A97 A98 | I70-V101 HydrophobicContact CD1-CB 3.82Å; I70-V101 HydrophobicContact CD1-CG1 4.19Å; I70-V101 HydrophobicContact CD1-CG2 3.94Å; I70-V101 HydrophobicContact CG1-CG1 4.43Å; I70-V101 HydrophobicContact CG1-CG2 4.46Å; I70-V101 HydrophobicContact CG2-CG2 4.31Å; E72-V101 HydrophobicContact CB-CG1 3.8Å; E72-V101 HydrophobicContact CG-CB 4.45Å; E72-V101 HydrophobicContact CG-CG1 3.58Å; E72-V101 HydrophobicContact CG-CG2 4.01Å; A97-V101 PolarHBondContact O-N 3.24Å; A97-V101 VanDerWaalsContact O-N 3.07Å; A98-V101 PolarHBondContact O-N 3.22Å |
| 102 | K | 90.2 | Very high | 91 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 60% | 0.596 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -18.6 | -176.7 | -170.8 | 61.8 | 170.6 | -179.3 | 0 | 112.3 | A98 A106 | A98-K102 WeakPolarHBondContact O-CA 3.47Å; A98-K102 WeakPolarHBondContact O-CB 3.39Å; A98-K102 PolarHBondContact O-N 2.65Å; K102-A106 HydrophobicContact CB-CB 3.92Å; K102-A106 HydrophobicContact CG-CB 4.13Å |
| 103 | G | 87.8 | Confident | 90.6 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 19% | 0.186 | 26% | 0.259 | C | S | . | . | trans | 85.2 | -168.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L99 A105 A106 | L99-G103 CarbonylContact O-C 3.31Å; L99-G103 VanDerWaalsContact O-C 3.31Å; L99-G103 WeakPolarHBondContact O-CA 3.46Å; L99-G103 PolarHBondContact O-N 3.5Å; L99-G103 VanDerWaalsContact O-N 3.13Å; G103-A105 PolarHBondContact O-N 3.42Å; G103-A105 VanDerWaalsContact O-N 3.11Å; G103-A106 VanDerWaalsContact O-CB 3.28Å; G103-A106 WeakPolarHBondContact O-CB 3.34Å; G103-A106 PolarHBondContact O-N 3.03Å | ||
| 104 | P | 83.9 | Confident | 90.1 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 89% | 0.89 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.9 | -176.1 | 26.9 | -35.5 | 0 | 0 | 0 | 113.9 | A106 | P104-A106 PolarHBondContact O-N 3.11Š|
| 105 | A | 84.3 | Confident | 89.6 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 65% | 0.653 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 15.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G103 V107 | G103-A105 PolarHBondContact O-N 3.42Å; G103-A105 VanDerWaalsContact O-N 3.11Å; A105-V107 PolarHBondContact O-N 3Å |
| 106 | A | 89.2 | Confident | 89.2 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | trans | -63.6 | 133.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A98 K102 G103 P104 L108 | A98-A106 HydrophobicContact CB-CB 4.23Å; K102-A106 HydrophobicContact CB-CB 3.92Å; K102-A106 HydrophobicContact CG-CB 4.13Å; G103-A106 VanDerWaalsContact O-CB 3.28Å; G103-A106 WeakPolarHBondContact O-CB 3.34Å; G103-A106 PolarHBondContact O-N 3.03Å; P104-A106 PolarHBondContact O-N 3.11Å; A106-L108 HydrophobicContact CB-CD2 3.81Å | ||
| 107 | V | 90.2 | Very high | 88.8 | Confident | 40 Ų | 40 | 52 Ų | 52 | 24% | 0.242 | 33% | 0.329 | C | S | . | . | trans | -78.9 | 125.5 | 163.7 | -179.4 | 0 | 0 | 0 | 0 | 106.2 | R45 R56 A105 | R45-V107 HydrophobicContact CG-CG2 4.48Å; R56-V107 PolarHBondContact NH1-O 2.98Å; A105-V107 PolarHBondContact O-N 3Å | ||
| 108 | L | 92.3 | Very high | 88.3 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | trans | -108.1 | 162.2 | -180 | -54.5 | -174.8 | 0 | 0 | 0 | 110.3 | D95 A98 L99 A106 A114 L117 | D95-L108 HydrophobicContact CB-CB 4.29Å; D95-L108 HydrophobicContact CB-CD2 4.05Å; A98-L108 HydrophobicContact CB-CD2 3.95Å; L99-L108 HydrophobicContact CD1-CD1 4.38Å; L99-L108 HydrophobicContact CD2-CD1 4Å; L99-L108 HydrophobicContact CD2-CD2 4.28Å; L99-L108 HydrophobicContact CG-CD1 4.16Å; L99-L108 HydrophobicContact CG-CD2 4.12Å; A106-L108 HydrophobicContact CB-CD2 3.81Å; L108-A114 HydrophobicContact CD1-CB 3.59Å; L108-L117 HydrophobicContact CD1-CD1 4.49Å | ||
| 109 | N | 92.1 | Very high | 87.9 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -76.6 | -40.3 | 170.7 | -62.5 | -72.1 | 0 | 0 | 0 | 110.9 | Y55 R56 A91 D95 P111 | Y55-N109 HydrophobicContact CD1-CB 4.13Å; R56-N109 VanDerWaalsContact CB-OD1 3.28Å; R56-N109 WeakPolarHBondContact CB-OD1 3.45Å; R56-N109 WeakPolarHBondContact CG-OD1 2.96Å; R56-N109 PolarHBondContact N-OD1 3.12Å; R56-N109 PolarHBondContact O-ND2 3.31Å; A91-N109 HydrophobicContact CB-CB 4.31Å; D95-N109 VanDerWaalsContact CG-N 3.29Å; D95-N109 PolarHBondContact OD1-N 3.43Å; D95-N109 PolarHBondContact OD1-ND2 3.06Å; D95-N109 WeakPolarHBondContact OD2-CB 3.28Å; D95-N109 PolarHBondContact OD2-N 3.35Å; N109-P111 VanDerWaalsContact O-CD 3.3Å; N109-P111 WeakPolarHBondContact O-CD 3.09Å |
| 110 | F | 90.5 | Very high | 87.4 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | trans | -115 | 84.8 | 180 | -54.1 | -72.6 | 0 | 0 | 0 | 110.4 | Y55 E88 A91 R92 D95 D112 M113 | Y55-F110 HydrophobicContact CD1-CZ 4.22Å; Y55-F110 AromaticContact CE1-CE1 3.98Å; Y55-F110 HydrophobicContact CE1-CE1 3.98Å; Y55-F110 AromaticContact CE1-CZ 3.64Å; Y55-F110 HydrophobicContact CE1-CZ 3.64Å; E88-F110 HydrophobicContact CB-CZ 4.44Å; A91-F110 HydrophobicContact CB-CD2 4.47Å; A91-F110 HydrophobicContact CB-CE2 3.51Å; A91-F110 HydrophobicContact CB-CZ 4.07Å; R92-F110 HydrophobicContact CG-CD2 3.84Å; R92-F110 HydrophobicContact CG-CE2 3.76Å; D95-F110 WeakPolarHBondContact OD2-CD2 3.37Å; D95-F110 PolarHBondContact OD2-N 3.38Å; F110-D112 PolarHBondContact O-N 3.4Å; F110-M113 HydrophobicContact CB-CB 4.1Å; F110-M113 HydrophobicContact CB-CG 4.15Å; F110-M113 HydrophobicContact CB-SD 4.11Å; F110-M113 HydrophobicContact CG-SD 4.33Å; F110-M113 PolarHBondContact O-N 3.16Å | ||
| 111 | P | 88.1 | Confident | 86.9 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -60.6 | -32.7 | 178.2 | 25.3 | -33.6 | 0 | 0 | 0 | 112.1 | N109 M113 A114 | N109-P111 VanDerWaalsContact O-CD 3.3Å; N109-P111 WeakPolarHBondContact O-CD 3.09Å; P111-M113 PolarHBondContact O-N 2.92Å; P111-A114 WeakPolarHBondContact O-CB 3.45Å; P111-A114 PolarHBondContact O-N 2.81Å; P111-A114 VanDerWaalsContact O-N 3.15Å |
| 112 | D | 88.3 | Confident | 86.8 | Confident | 156 Ų | 156 | 66.3 Ų | 66.3 | 83% | 0.834 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -65.3 | -27.7 | -178.9 | -53.3 | -35 | 0 | 0 | 0 | 112.6 | F110 | F110-D112 PolarHBondContact O-N 3.4Š|
| 113 | M | 85.3 | Confident | 86.7 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 19% | 0.192 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -91.1 | -6.6 | 178.6 | -66.2 | -176.5 | -174.3 | 0 | 0 | 113.7 | R92 F110 P111 A115 A116 L117 M140 | R92-M113 HydrophobicContact CG-SD 4.13Å; F110-M113 HydrophobicContact CB-CB 4.1Å; F110-M113 HydrophobicContact CB-CG 4.15Å; F110-M113 HydrophobicContact CB-SD 4.11Å; F110-M113 HydrophobicContact CG-SD 4.33Å; F110-M113 PolarHBondContact O-N 3.16Å; P111-M113 PolarHBondContact O-N 2.92Å; M113-A115 PolarHBondContact O-N 3.4Å; M113-A116 PolarHBondContact O-N 2.86Å; M113-L117 HydrophobicContact CB-CG 4.47Å; M113-L117 WeakPolarHBondContact O-CG 3.2Å; M113-L117 PolarHBondContact O-N 3.21Å; M113-L117 VanDerWaalsContact O-N 3.11Å; M113-M140 HydrophobicContact CE-CB 3.46Å; M113-M140 VanDerWaalsContact CE-CB 3.46Å; M113-M140 HydrophobicContact CE-CE 4.39Å; M113-M140 HydrophobicContact CE-CG 3.52Å; M113-M140 HydrophobicContact CE-SD 3.16Å; M113-M140 WeakPolarHBondContact CE-SD 3.21Å |
| 114 | A | 84.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -33.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L108 P111 | L108-A114 HydrophobicContact CD1-CB 3.59Å; P111-A114 WeakPolarHBondContact O-CB 3.45Å; P111-A114 PolarHBondContact O-N 2.81Å; P111-A114 VanDerWaalsContact O-N 3.15Å |
| 115 | A | 84.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 75% | 0.752 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -29.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M113 | M113-A115 PolarHBondContact O-N 3.4Š|
| 116 | A | 86.9 | Confident | 87.8 | Confident | 64 Ų | 64 | 66 Ų | 66 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -20.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M113 M138 | M113-A116 PolarHBondContact O-N 2.86Å; A116-M138 WeakPolarHBondContact O-CE 3.16Å |
| 117 | L | 84.5 | Confident | 88 | Confident | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -64.3 | 137.6 | -176.2 | -69.7 | 172.1 | 0 | 0 | 0 | 112.4 | D95 L99 L108 M113 R119 A135 | D95-L117 HydrophobicContact CB-CD1 3.68Å; L99-L117 HydrophobicContact CD1-CB 4.16Å; L99-L117 HydrophobicContact CD1-CD1 3.99Å; L108-L117 HydrophobicContact CD1-CD1 4.49Å; M113-L117 HydrophobicContact CB-CG 4.47Å; M113-L117 WeakPolarHBondContact O-CG 3.2Å; M113-L117 PolarHBondContact O-N 3.21Å; M113-L117 VanDerWaalsContact O-N 3.11Å; L117-R119 PolarHBondContact O-N 3.09Å; L117-A135 HydrophobicContact CD2-CB 3.69Å |
| 118 | P | 84.7 | Confident | 88.2 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 122.3 | 175.9 | 27.9 | -34.5 | 0 | 0 | 0 | 109.8 | P120 A131 R134 A135 | P118-P120 WeakPolarHBondContact O-CD 3.48Å; P118-A131 HydrophobicContact CG-CB 4.42Å; P118-A131 VanDerWaalsContact CG-O 3.31Å; P118-A131 WeakPolarHBondContact CG-O 3.45Å; P118-R134 HydrophobicContact CB-CB 4.37Å; P118-R134 HydrophobicContact CG-CB 3.81Å; P118-A135 HydrophobicContact CG-CB 4.08Å |
| 119 | R | 83.8 | Confident | 88.3 | Confident | 199 Ų | 199 | 68.3 Ų | 68.3 | 75% | 0.751 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 118.4 | 174 | -60.3 | -176.1 | -169.4 | 178.6 | 4.4 | 108.7 | L117 | L117-R119 PolarHBondContact O-N 3.09Š|
| 120 | P | 82.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 16% | 0.156 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 148.5 | 173.3 | 27.4 | -30.2 | 0 | 0 | 0 | 110.4 | V100 P118 S122 D127 A131 | V100-P120 HydrophobicContact CB-CG 4.18Å; V100-P120 HydrophobicContact CG1-CG 4.12Å; V100-P120 HydrophobicContact CG2-CG 3.05Å; P118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-S122 PolarHBondContact O-N 3.23Å; P120-D127 HydrophobicContact CB-CB 3.96Å; P120-A131 HydrophobicContact CB-CB 3.78Å; P120-A131 HydrophobicContact CG-CB 3.82Å |
| 121 | A | 80.5 | Confident | 88.6 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 91% | 0.909 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -67.8 | -25 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 122 | S | 88.4 | Confident | 88.9 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -142.1 | 163.6 | -177.6 | 95.9 | 0 | 0 | 0 | 0 | 112.8 | P120 S124 D127 | P120-S122 PolarHBondContact O-N 3.23Å; S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 VanDerWaalsContact OG-CB 3.26Å; S122-S124 WeakPolarHBondContact OG-CB 3.48Å; S122-S124 PolarHBondContact OG-N 3.23Å; S122-S124 PolarHBondContact OG-OG 3.46Å; S122-D127 WeakPolarHBondContact CB-OD2 3.45Å; S122-D127 PolarHBondContact OG-OD2 3.32Å |
| 123 | A | 87.9 | Confident | 89.2 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -83.7 | 19.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V100 | V100-A123 HydrophobicContact CG1-CB 4.02Š|
| 124 | S | 91.8 | Very high | 89.6 | Confident | 40 Ų | 40 | 65 Ų | 65 | 28% | 0.28 | 38% | 0.378 | S | S | . | . | trans | -69.1 | 142.4 | 172.9 | 86.1 | 0 | 0 | 0 | 0 | 110 | S122 R126 D127 V128 | S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 VanDerWaalsContact OG-CB 3.26Å; S122-S124 WeakPolarHBondContact OG-CB 3.48Å; S122-S124 PolarHBondContact OG-N 3.23Å; S122-S124 PolarHBondContact OG-OG 3.46Å; S124-R126 PolarHBondContact O-N 3.46Å; S124-D127 PolarHBondContact O-N 3.18Å; S124-D127 WeakPolarHBondContact OG-CB 3.19Å; S124-D127 PolarHBondContact OG-N 3.13Å; S124-D127 PolarHBondContact OG-OD2 3.11Å; S124-V128 VanDerWaalsContact O-CG2 3.3Å; S124-V128 WeakPolarHBondContact O-CG2 3.3Å; S124-V128 PolarHBondContact O-N 2.87Å | ||
| 125 | P | 92.9 | Very high | 90 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.6 | -35.9 | 179.2 | -27.9 | 35.5 | 0 | 0 | 0 | 113.6 | I79 Q129 | I79-P125 HydrophobicContact CD1-CB 4.47Å; I79-P125 HydrophobicContact CD1-CG 4.38Å; I79-P125 HydrophobicContact CG1-CB 4.41Å; I79-P125 HydrophobicContact CG1-CG 4.43Å; I79-P125 HydrophobicContact CG2-CB 4.2Å; P125-Q129 WeakPolarHBondContact O-CB 3.37Å; P125-Q129 WeakPolarHBondContact O-CG 3.13Å; P125-Q129 PolarHBondContact O-N 3.44Å |
| 126 | R | 94.3 | Very high | 90.4 | Very high | 203 Ų | 203 | 59.6 Ų | 59.6 | 77% | 0.766 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67 | -45.1 | -179.5 | -170.8 | 179.4 | -175 | -179.4 | 0.9 | 111.9 | S124 Q129 A130 | S124-R126 PolarHBondContact O-N 3.46Å; R126-Q129 PolarHBondContact O-N 3.42Å; R126-A130 WeakPolarHBondContact O-CB 3.37Å; R126-A130 PolarHBondContact O-N 3.28Å |
| 127 | D | 94.4 | Very high | 90.6 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 32% | 0.316 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 179.6 | -61 | -31.4 | 0 | 0 | 0 | 111.1 | P120 S122 S124 Q129 A130 A131 | P120-D127 HydrophobicContact CB-CB 3.96Å; S122-D127 WeakPolarHBondContact CB-OD2 3.45Å; S122-D127 PolarHBondContact OG-OD2 3.32Å; S124-D127 PolarHBondContact O-N 3.18Å; S124-D127 WeakPolarHBondContact OG-CB 3.19Å; S124-D127 PolarHBondContact OG-N 3.13Å; S124-D127 PolarHBondContact OG-OD2 3.11Å; D127-Q129 VanDerWaalsContact C-N 3.35Å; D127-Q129 PolarHBondContact O-N 3.26Å; D127-A130 PolarHBondContact O-N 2.94Å; D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 3.03Å |
| 128 | V | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L81 A97 V100 S124 A132 | L81-V128 HydrophobicContact CD2-CG1 3.6Å; A97-V128 HydrophobicContact CB-CG1 3.59Å; V100-V128 HydrophobicContact CB-CG2 4.34Å; V100-V128 HydrophobicContact CG1-CG2 3.97Å; S124-V128 VanDerWaalsContact O-CG2 3.3Å; S124-V128 WeakPolarHBondContact O-CG2 3.3Å; S124-V128 PolarHBondContact O-N 2.87Å; V128-A132 WeakPolarHBondContact O-CB 3.44Å; V128-A132 PolarHBondContact O-N 3.03Å |
| 129 | Q | 95.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.6 | -76.6 | 168.7 | -8.1 | 0 | 0 | 112.2 | W80 P125 R126 D127 A131 A132 A133 | W80-Q129 WeakPolarHBondContact O-CG 3.48Å; W80-Q129 PolarHBondContact O-NE2 2.9Å; P125-Q129 WeakPolarHBondContact O-CB 3.37Å; P125-Q129 WeakPolarHBondContact O-CG 3.13Å; P125-Q129 PolarHBondContact O-N 3.44Å; R126-Q129 PolarHBondContact O-N 3.42Å; D127-Q129 VanDerWaalsContact C-N 3.35Å; D127-Q129 PolarHBondContact O-N 3.26Å; Q129-A131 PolarHBondContact O-N 3.49Å; Q129-A132 PolarHBondContact O-N 2.89Å; Q129-A133 WeakPolarHBondContact O-CB 3.38Å; Q129-A133 PolarHBondContact O-N 3.01Å |
| 130 | A | 94.4 | Very high | 88.7 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | R126 D127 R134 | R126-A130 WeakPolarHBondContact O-CB 3.37Å; R126-A130 PolarHBondContact O-N 3.28Å; D127-A130 PolarHBondContact O-N 2.94Å; A130-R134 WeakPolarHBondContact O-CG 3.28Å; A130-R134 PolarHBondContact O-N 3.19Å; A130-R134 VanDerWaalsContact O-N 3.14Å |
| 131 | A | 94.2 | Very high | 87.4 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.033 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P118 P120 D127 Q129 A133 R134 A135 | P118-A131 HydrophobicContact CG-CB 4.42Å; P118-A131 VanDerWaalsContact CG-O 3.31Å; P118-A131 WeakPolarHBondContact CG-O 3.45Å; P120-A131 HydrophobicContact CB-CB 3.78Å; P120-A131 HydrophobicContact CG-CB 3.82Å; D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 3.03Å; Q129-A131 PolarHBondContact O-N 3.49Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.85Å; A131-R134 PolarHBondContact O-N 2.93Å; A131-A135 WeakPolarHBondContact O-CB 3.41Å; A131-A135 PolarHBondContact O-N 3.41Å |
| 132 | A | 94.5 | Very high | 86 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L81 A93 V128 Q129 A135 A136 | L81-A132 HydrophobicContact CB-CB 4.26Å; L81-A132 HydrophobicContact CD2-CB 4.32Å; A93-A132 HydrophobicContact CB-CB 4.03Å; V128-A132 WeakPolarHBondContact O-CB 3.44Å; V128-A132 PolarHBondContact O-N 3.03Å; Q129-A132 PolarHBondContact O-N 2.89Å; A132-A135 PolarHBondContact O-N 2.85Å; A132-A136 WeakPolarHBondContact O-CB 3.31Å; A132-A136 PolarHBondContact O-N 3.29Å |
| 133 | A | 94 | Very high | 84.1 | Confident | 57 Ų | 57 | 71 Ų | 71 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q129 A131 A136 A137 | Q129-A133 WeakPolarHBondContact O-CB 3.38Å; Q129-A133 PolarHBondContact O-N 3.01Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.85Å; A133-A136 PolarHBondContact O-N 2.91Å; A133-A137 PolarHBondContact O-N 3.48Å; A133-A137 VanDerWaalsContact O-N 3.13Å |
| 134 | R | 93.9 | Very high | 82.3 | Confident | 170 Ų | 170 | 72.5 Ų | 72.5 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 174.9 | -70 | -178.2 | -137.1 | -164 | 2.7 | 111.9 | P118 A130 A131 A136 A137 M138 | P118-R134 HydrophobicContact CB-CB 4.37Å; P118-R134 HydrophobicContact CG-CB 3.81Å; A130-R134 WeakPolarHBondContact O-CG 3.28Å; A130-R134 PolarHBondContact O-N 3.19Å; A130-R134 VanDerWaalsContact O-N 3.14Å; A131-R134 PolarHBondContact O-N 2.93Å; R134-A136 VanDerWaalsContact C-N 3.34Å; R134-A137 PolarHBondContact O-N 3.04Å; R134-M138 PolarHBondContact O-N 3.5Å |
| 135 | A | 93.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R92 A96 L117 P118 A131 A132 A137 M138 | R92-A135 PolarHBondContact NE-O 3.48Å; R92-A135 VanDerWaalsContact NE-O 3.14Å; A96-A135 HydrophobicContact CB-CB 3.62Å; L117-A135 HydrophobicContact CD2-CB 3.69Å; P118-A135 HydrophobicContact CG-CB 4.08Å; A131-A135 WeakPolarHBondContact O-CB 3.41Å; A131-A135 PolarHBondContact O-N 3.41Å; A132-A135 PolarHBondContact O-N 2.85Å; A135-A137 VanDerWaalsContact C-N 3.29Å; A135-A137 PolarHBondContact O-N 2.79Å; A135-M138 PolarHBondContact O-N 3.45Å |
| 136 | A | 93.4 | Very high | 78 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F84 M89 R92 A93 A132 A133 R134 M138 | F84-A136 HydrophobicContact CD1-CB 3.8Å; F84-A136 HydrophobicContact CE1-CB 3.31Å; F84-A136 HydrophobicContact CZ-CB 4.05Å; M89-A136 HydrophobicContact CB-CB 4.42Å; R92-A136 PolarHBondContact NH2-O 3.14Å; A93-A136 HydrophobicContact CB-CB 4.38Å; A132-A136 WeakPolarHBondContact O-CB 3.31Å; A132-A136 PolarHBondContact O-N 3.29Å; A133-A136 PolarHBondContact O-N 2.91Å; R134-A136 VanDerWaalsContact C-N 3.34Å; A136-M138 VanDerWaalsContact C-N 3.3Å; A136-M138 PolarHBondContact O-N 3.33Å |
| 137 | A | 90.4 | Very high | 75.6 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A133 R134 A135 E139 | A133-A137 PolarHBondContact O-N 3.48Å; A133-A137 VanDerWaalsContact O-N 3.13Å; R134-A137 PolarHBondContact O-N 3.04Å; A135-A137 VanDerWaalsContact C-N 3.29Å; A135-A137 PolarHBondContact O-N 2.79Å; A137-E139 PolarHBondContact O-N 3.13Å |
| 138 | M | 84.5 | Confident | 73.4 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 39% | 0.389 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -74.6 | 94.7 | 174.5 | -73.8 | 173.8 | 153.1 | 0 | 0 | 109.5 | R92 A116 R134 A135 A136 M140 | R92-M138 PolarHBondContact NE-O 3.25Å; R92-M138 PolarHBondContact NH1-O 3.49Å; R92-M138 VanDerWaalsContact NH1-O 3.1Å; R92-M138 PolarHBondContact NH2-O 3.38Å; A116-M138 WeakPolarHBondContact O-CE 3.16Å; R134-M138 PolarHBondContact O-N 3.5Å; A135-M138 PolarHBondContact O-N 3.45Å; A136-M138 VanDerWaalsContact C-N 3.3Å; A136-M138 PolarHBondContact O-N 3.33Å; M138-M140 PolarHBondContact O-N 3.24Å; M138-M140 VanDerWaalsContact O-N 3.14Å |
| 139 | E | 67 | Low | 71.6 | Confident | 134 Ų | 134 | 85.9 Ų | 85.9 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | trans | -53.4 | 116.5 | 179.5 | -63.9 | -60.3 | 150.1 | 0 | 0 | 111.6 | A137 | A137-E139 PolarHBondContact O-N 3.13Š| ||
| 140 | M | 60.4 | Low | 69.8 | Low | 97 Ų | 97 | 88.8 Ų | 88.8 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | trans | -101 | 114.2 | 153.7 | -176.7 | -178.7 | -179.9 | 0 | 0 | 102.2 | M113 M138 P142 | M113-M140 HydrophobicContact CE-CB 3.46Å; M113-M140 VanDerWaalsContact CE-CB 3.46Å; M113-M140 HydrophobicContact CE-CE 4.39Å; M113-M140 HydrophobicContact CE-CG 3.52Å; M113-M140 HydrophobicContact CE-SD 3.16Å; M113-M140 WeakPolarHBondContact CE-SD 3.21Å; M138-M140 PolarHBondContact O-N 3.24Å; M138-M140 VanDerWaalsContact O-N 3.14Å; M140-P142 VanDerWaalsContact O-CD 3.26Å; M140-P142 WeakPolarHBondContact O-CD 3.18Å | ||
| 141 | E | 55 | Low | 67.3 | Low | 167 Ų | 167 | 93.9 Ų | 93.9 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | trans | -31.7 | 105.7 | 172.6 | -81.5 | -71.2 | 124 | 0 | 0 | 109.2 | A143 | E141-A143 PolarHBondContact O-N 2.86Å; E141-A143 VanDerWaalsContact O-N 3.09Å | ||
| 142 | P | 52.9 | Low | 65 | Low | 63 Ų | 63 | 96.4 Ų | 96.4 | 41% | 0.409 | 56% | 0.564 | S | S | . | * | trans | -67.7 | 117.8 | -177.3 | 24.8 | -30.9 | 0 | 0 | 0 | 106.4 | M140 A144 A145 | M140-P142 VanDerWaalsContact O-CD 3.26Å; M140-P142 WeakPolarHBondContact O-CD 3.18Å; P142-A144 PolarHBondContact O-N 3.29Å; P142-A145 HydrophobicContact CG-CB 4.04Å; P142-A145 PolarHBondContact O-N 3.14Å; P142-A145 VanDerWaalsContact O-N 3.09Å | ||
| 143 | A | 48.6 | Very low | 62.8 | Low | 108 Ų | 108 | 102.5 Ų | 102.5 | 89% | 0.893 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -6.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E141 | E141-A143 PolarHBondContact O-N 2.86Å; E141-A143 VanDerWaalsContact O-N 3.09Å |
| 144 | A | 49.6 | Very low | 60.2 | Low | 84 Ų | 84 | 104.3 Ų | 104.3 | 69% | 0.694 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -3.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P142 L146 | P142-A144 PolarHBondContact O-N 3.29Å; A144-L146 PolarHBondContact O-N 3.26Å |
| 145 | A | 47.6 | Very low | 57.9 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 65% | 0.653 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 11.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | P142 | P142-A145 HydrophobicContact CG-CB 4.04Å; P142-A145 PolarHBondContact O-N 3.14Å; P142-A145 VanDerWaalsContact O-N 3.09Å |
| 146 | L | 45.7 | Very low | 55.8 | Low | 172 Ų | 172 | 111.8 Ų | 111.8 | 90% | 0.901 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 23 | 174.1 | -77.4 | 173.9 | 0 | 0 | 0 | 114.2 | A144 | A144-L146 PolarHBondContact O-N 3.26Š|
| 147 | H | 44.6 | Very low | 53.4 | Low | 164 Ų | 164 | 115.8 Ų | 115.8 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -135 | 115.8 | 178.2 | -157.3 | 77.7 | 0 | 0 | 0 | 112.5 | ||
| 148 | E | 47.3 | Very low | 51.4 | Low | 149 Ų | 149 | 117 Ų | 117 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | trans | 76.8 | 96.8 | 166.6 | -69.6 | -98.8 | 95.8 | 0 | 0 | 118.4 | ||||
| 149 | P | 57 | Low | 49.6 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 57% | 0.571 | 73% | 0.725 | S | S | * | * | trans | -62.8 | 151.1 | 153.1 | 30.2 | -33.9 | 0 | 0 | 0 | 109.9 | D151 | P149-D151 VanDerWaalsContact C-N 3.3Å; P149-D151 PolarHBondContact O-N 3.47Å | ||
| 150 | P | 56.7 | Low | 48.6 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | -72.1 | 87.5 | 171.8 | 30.7 | -32.8 | 0 | 0 | 0 | 109.5 | G152 | P150-G152 PolarHBondContact O-N 3.36Š| ||
| 151 | D | 41.8 | Very low | 48.1 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -72.6 | 76.8 | 163 | -78.4 | -45 | 0 | 0 | 0 | 108.9 | P149 | P149-D151 VanDerWaalsContact C-N 3.3Å; P149-D151 PolarHBondContact O-N 3.47Å | ||
| 152 | G | 45.7 | Very low | 47.8 | Very low | 58 Ų | 58 | 124.7 Ų | 124.7 | 60% | 0.598 | 77% | 0.765 | S | S | * | * | trans | -111.8 | 121.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P150 | P150-G152 PolarHBondContact O-N 3.36Š| ||
| 153 | P | 48.5 | Very low | 47.7 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 136.8 | -172.8 | 28.2 | -33.1 | 0 | 0 | 0 | 111.2 | D155 | P153-D155 PolarHBondContact O-N 3.29Å; P153-D155 VanDerWaalsContact O-N 3.17Å | ||
| 154 | A | 39.7 | Very low | 47.2 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -64.4 | 105.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 155 | D | 46.8 | Very low | 46.7 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -154.6 | 137.5 | 156.9 | -91.1 | -46.5 | 0 | 0 | 0 | 111.1 | P153 | P153-D155 PolarHBondContact O-N 3.29Å; P153-D155 VanDerWaalsContact O-N 3.17Å | ||
| 156 | E | 47.7 | Very low | 46.1 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | 66.9 | 99.8 | 157 | -87.9 | 179.3 | 77.6 | 0 | 0 | 121.4 | ||||
| 157 | A | 43.2 | Very low | 45.6 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | 88.1 | 139.7 | 109.7 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 158 | A | 49 | Very low | 45.5 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 92.3 | 101.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 159 | A | 47.3 | Very low | 46.1 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | 92.7 | 94.9 | 124.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q161 | A159-Q161 PolarHBondContact O-N 3.23Š| |||
| 160 | L | 46.5 | Very low | 45.5 | Very low | 178 Ų | 178 | 125.9 Ų | 125.9 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | 21 | 94.6 | 126.8 | -69.7 | 163.8 | 0 | 0 | 0 | 115.9 | |||||
| 161 | Q | 49.7 | Very low | 44.5 | Very low | 185 Ų | 185 | 125 Ų | 125 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -145.9 | 115.4 | 153.1 | -131.8 | 168 | 93.1 | 0 | 0 | 110.5 | A159 | A159-Q161 PolarHBondContact O-N 3.23Š| ||
| 162 | M | 47.5 | Very low | 44.2 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -90.3 | 99.4 | -175.1 | -174.5 | 120.7 | 68.9 | 0 | 0 | 109.1 | ||||
| 163 | Q | 52.1 | Low | 43.6 | Very low | 169 Ų | 169 | 121.9 Ų | 121.9 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -153.1 | 126.7 | 163.1 | -68.3 | -166.5 | -27.6 | 0 | 0 | 110.3 | ||||
| 164 | P | 38.3 | Very low | 43.3 | Very low | 136 Ų | 136 | 125 Ų | 125 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -92.7 | 118.6 | 170 | 33.4 | -24.8 | 0 | 0 | 0 | 109.1 | ||||
| 165 | A | 37.3 | Very low | 43.4 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -136.9 | 130.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 166 | A | 35.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | 74.6 | 72.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | A168 | A166-A168 PolarHBondContact O-N 3.28Š| ||
| 167 | A | 34.4 | Very low | 42.9 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 168 | A | 44.1 | Very low | 43.4 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 144.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A166 | A166-A168 PolarHBondContact O-N 3.28Š|
| 169 | P | 60.1 | Low | 43.6 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127.7 | 164.6 | 30.1 | -29.4 | 0 | 0 | 0 | 109.7 | ||
| 170 | P | 44.3 | Very low | 43.7 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78 | 146.8 | 173.1 | 31.6 | -32.2 | 0 | 0 | 0 | 111.2 | G172 | P170-G172 PolarHBondContact O-N 3Š|
| 171 | A | 34.6 | Very low | 43.9 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 122.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 172 | G | 35.4 | Very low | 44.1 | Very low | 68 Ų | 68 | 136.3 Ų | 136.3 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -164.4 | 118.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | P170 | P170-G172 PolarHBondContact O-N 3Š| ||
| 173 | G | 32.5 | Very low | 44.3 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | 86.5 | 113.4 | 56.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 174 | Q | 42.5 | Very low | 44.6 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | 93.3 | 114.2 | 173.4 | -46.3 | -159.4 | -79.6 | 0 | 0 | 116.7 | Q176 | Q174-Q176 PolarHBondContact O-N 3.15Š| ||
| 175 | Q | 41.5 | Very low | 45.7 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -48.6 | 116.8 | 165.5 | -72.1 | 158.1 | -103.9 | 0 | 0 | 109.9 | D177 | Q175-D177 VanDerWaalsContact C-N 3.3Å; Q175-D177 PolarHBondContact O-N 3Å | ||
| 176 | Q | 37 | Very low | 46.6 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -83.3 | 83 | 157.1 | -69.7 | 169.1 | 0.4 | 0 | 0 | 106.5 | Q174 | Q174-Q176 PolarHBondContact O-N 3.15Š| ||
| 177 | D | 48.3 | Very low | 47.8 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | trans | -85.1 | 151 | 142.1 | -65.2 | -58.2 | 0 | 0 | 0 | 104.9 | Q175 | Q175-D177 VanDerWaalsContact C-N 3.3Å; Q175-D177 PolarHBondContact O-N 3Å | ||
| 178 | E | 54.3 | Low | 48.7 | Very low | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 69.2 | 62.4 | 170 | 46.8 | -173 | 71.5 | 0 | 0 | 119.8 | ||
| 179 | E | 52.5 | Low | 49.1 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -162.1 | 69.7 | 144.1 | -147.3 | 177.1 | 115.7 | 0 | 0 | 112.5 | ||||
| 180 | L | 50.2 | Low | 48.4 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | trans | -97.7 | 57.3 | 167.9 | -75.5 | 170.1 | 0 | 0 | 0 | 109.9 | ||||
| 181 | E | 48.8 | Very low | 48.6 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -140.9 | 65.8 | 176.2 | -67.4 | -169.2 | -171.7 | 0 | 0 | 111.8 | ||||
| 182 | A | 53.9 | Low | 49.4 | Very low | 89 Ų | 89 | 149.5 Ų | 149.5 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -148.6 | 63.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V184 | A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.1Å | ||
| 183 | I | 53.5 | Low | 49.8 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | trans | -66.8 | 99.2 | 160.6 | -60.6 | 170.2 | 0 | 0 | 0 | 105.4 | E185 | I183-E185 PolarHBondContact O-N 3.14Š| ||
| 184 | V | 57.4 | Low | 50.4 | Low | 126 Ų | 126 | 153.2 Ų | 153.2 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -66.8 | 96.4 | 157.6 | 175.6 | 0 | 0 | 0 | 0 | 105.4 | A182 L186 | A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.1Å; V184-L186 PolarHBondContact O-N 3.05Å | ||
| 185 | E | 60.4 | Low | 50.2 | Low | 156 Ų | 156 | 150.8 Ų | 150.8 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | -53.3 | 97.7 | 173.9 | -171.4 | 171.6 | -173.6 | 0 | 0 | 108.6 | I183 | I183-E185 PolarHBondContact O-N 3.14Š| ||
| 186 | L | 57.9 | Low | 50.4 | Low | 144 Ų | 144 | 146.7 Ų | 146.7 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 133.3 | 167.4 | -70.9 | 173.9 | 0 | 0 | 0 | 107.3 | V184 R188 | V184-L186 PolarHBondContact O-N 3.05Å; L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 VanDerWaalsContact O-N 3.14Å | ||
| 187 | P | 60.7 | Low | 50.8 | Low | 107 Ų | 107 | 143.2 Ų | 143.2 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -55.5 | 125.6 | 174.9 | 23.1 | -32 | 0 | 0 | 0 | 108.7 | L189 | P187-L189 PolarHBondContact O-N 2.85Å; P187-L189 VanDerWaalsContact O-N 3.12Å | ||
| 188 | R | 52.7 | Low | 50.9 | Low | 195 Ų | 195 | 145.5 Ų | 145.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -56.1 | 114.5 | 172.2 | -67.7 | -172.6 | -178 | 170.2 | 2.4 | 108 | L186 D190 | L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 VanDerWaalsContact O-N 3.14Å; R188-D190 PolarHBondContact O-N 3.05Å; R188-D190 VanDerWaalsContact O-N 3.16Å | ||
| 189 | L | 52.8 | Low | 50.3 | Low | 176 Ų | 176 | 139.9 Ų | 139.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -87.1 | 61.3 | 168.9 | -70.1 | 176.9 | 0 | 0 | 0 | 108.2 | P187 | P187-L189 PolarHBondContact O-N 2.85Å; P187-L189 VanDerWaalsContact O-N 3.12Å | ||
| 190 | D | 46.2 | Very low | 50.2 | Low | 102 Ų | 102 | 135.7 Ų | 135.7 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | trans | -139.7 | 141.6 | 165.9 | 34.6 | -82.3 | 0 | 0 | 0 | 104.6 | R188 | R188-D190 PolarHBondContact O-N 3.05Å; R188-D190 VanDerWaalsContact O-N 3.16Å | ||
| 191 | E | 48.7 | Very low | 50.7 | Low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | 94.9 | 61.1 | -175.3 | -44.6 | -162.7 | 117.1 | 0 | 0 | 116.8 | ||||
| 192 | D | 49.9 | Very low | 51 | Low | 161 Ų | 161 | 130.7 Ų | 130.7 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -148.6 | 58.1 | 141.8 | -87.2 | -45.6 | 0 | 0 | 0 | 109.8 | A194 | D192-A194 PolarHBondContact O-N 3.35Å; D192-A194 VanDerWaalsContact O-N 3.1Å | ||
| 193 | C | 43.3 | Very low | 50.9 | Low | 139 Ų | 139 | 132.7 Ų | 132.7 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -80.7 | 65.4 | 159.8 | -156.1 | 0 | 0 | 0 | 0 | 107.7 | V195 | C193-V195 PolarHBondContact O-N 3.44Š| ||
| 194 | A | 45.3 | Very low | 50.8 | Low | 80 Ų | 80 | 133 Ų | 133 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -82.3 | 101.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | D192 A196 | D192-A194 PolarHBondContact O-N 3.35Å; D192-A194 VanDerWaalsContact O-N 3.1Å; A194-A196 PolarHBondContact O-N 3.29Å | ||
| 195 | V | 39.1 | Very low | 50.4 | Low | 139 Ų | 139 | 132 Ų | 132 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -58.9 | 100.8 | 163.1 | 61.7 | 0 | 0 | 0 | 0 | 109.2 | C193 | C193-V195 PolarHBondContact O-N 3.44Š| ||
| 196 | A | 45.2 | Very low | 50 | Low | 90 Ų | 90 | 129.9 Ų | 129.9 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -131.5 | 85.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A194 L198 | A194-A196 PolarHBondContact O-N 3.29Å; A196-L198 PolarHBondContact O-N 3.09Å | ||
| 197 | T | 46.2 | Very low | 50.3 | Low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | -42.5 | 126.3 | 154 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 198 | L | 48.9 | Very low | 50.1 | Low | 165 Ų | 165 | 132.1 Ų | 132.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 143.2 | 104.9 | 139 | -72.4 | 173.2 | 0 | 0 | 0 | 111.3 | A196 | A196-L198 PolarHBondContact O-N 3.09Š| ||
| 199 | G | 43.4 | Very low | 50.2 | Low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 90 | 124.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 200 | A | 50.1 | Low | 50.1 | Low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 85.7 | 102.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 201 | T | 59.4 | Low | 50.5 | Low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 62.3 | 114.9 | 141.3 | 52.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 202 | P | 56.2 | Low | 50.7 | Low | 121 Ų | 121 | 129.2 Ų | 129.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -84.1 | 117.9 | 164.5 | 32.6 | -29 | 0 | 0 | 0 | 111 | L204 | P202-L204 PolarHBondContact O-N 2.8Š| ||
| 203 | C | 52.3 | Low | 51.1 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -84.1 | 98.1 | 164.5 | 39.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 204 | L | 50.4 | Low | 52 | Low | 167 Ų | 167 | 123.8 Ų | 123.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 114.5 | 164.6 | -65.5 | 164.8 | 0 | 0 | 0 | 108.3 | P202 | P202-L204 PolarHBondContact O-N 2.8Š| ||
| 205 | S | 50.1 | Low | 52.7 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 175.3 | 108.7 | 148.2 | -175.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 206 | S | 51.6 | Low | 53.6 | Low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -150.8 | 105.4 | 146.2 | -83.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 207 | S | 64.1 | Low | 54.8 | Low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -60.1 | 131.1 | 175.3 | -71.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 208 | F | 56.6 | Low | 55.6 | Low | 190 Ų | 190 | 131.7 Ų | 131.7 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -129.5 | 127.1 | 148.7 | 36.8 | -91.4 | 0 | 0 | 0 | 106.6 | D210 | F208-D210 PolarHBondContact O-N 3.09Š| ||
| 209 | H | 54.1 | Low | 56.1 | Low | 175 Ų | 175 | 130.5 Ų | 130.5 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -62.3 | 118.8 | -168.6 | -71.3 | -86.7 | 0 | 0 | 0 | 111.9 | V211 | H209-V211 PolarHBondContact O-N 2.93Š| ||
| 210 | D | 50.2 | Low | 56.7 | Low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -74.2 | 107.5 | 156.4 | -167.1 | -102 | 0 | 0 | 0 | 107.4 | F208 L212 | F208-D210 PolarHBondContact O-N 3.09Å; D210-L212 PolarHBondContact O-N 2.87Å | ||
| 211 | V | 55.8 | Low | 56.9 | Low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -90.8 | 95 | 169.6 | 170.2 | 0 | 0 | 0 | 0 | 107.4 | H209 A213 | H209-V211 PolarHBondContact O-N 2.93Å; V211-A213 PolarHBondContact O-N 3.17Å | ||
| 212 | L | 52.5 | Low | 56.7 | Low | 143 Ų | 143 | 134.5 Ų | 134.5 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -55.4 | 112.4 | 162.3 | -176.3 | 75.5 | 0 | 0 | 0 | 110 | D210 | D210-L212 PolarHBondContact O-N 2.87Š| ||
| 213 | A | 57.5 | Low | 56.8 | Low | 86 Ų | 86 | 133.2 Ų | 133.2 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -146.9 | 88.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V211 | V211-A213 PolarHBondContact O-N 3.17Š| ||
| 214 | P | 63.3 | Low | 56.7 | Low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -78.4 | 115 | 152 | 30.4 | -26.9 | 0 | 0 | 0 | 107.5 | P216 | P214-P216 VanDerWaalsContact O-CD 3.27Å; P214-P216 WeakPolarHBondContact O-CD 3.26Å | ||
| 215 | A | 59.8 | Low | 56.7 | Low | 87 Ų | 87 | 133.2 Ų | 133.2 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | -76.4 | 123.4 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 216 | P | 58.8 | Low | 56.9 | Low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -113.7 | 122.3 | 169.2 | 32.4 | -15.7 | 0 | 0 | 0 | 110 | P214 | P214-P216 VanDerWaalsContact O-CD 3.27Å; P214-P216 WeakPolarHBondContact O-CD 3.26Å | ||
| 217 | W | 69.6 | Low | 56.7 | Low | 182 Ų | 182 | 132.4 Ų | 132.4 | 69% | 0.689 | 76% | 0.761 | S | S | * | * | trans | -166.1 | 72.9 | 163.9 | 54.4 | -82.4 | 0 | 0 | 0 | 113.9 | ||||
| 218 | W | 63.6 | Low | 56 | Low | 205 Ų | 205 | 131.8 Ų | 131.8 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -159.5 | 88.8 | 141.3 | 14.2 | 74.2 | 0 | 0 | 0 | 105.7 | ||||
| 219 | V | 58.7 | Low | 56 | Low | 140 Ų | 140 | 126.5 Ų | 126.5 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | 81.2 | 105.6 | 96.1 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 220 | D | 56.5 | Low | 56 | Low | 144 Ų | 144 | 126.7 Ų | 126.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -30.1 | 135.9 | 153.1 | -86.5 | -103.6 | 0 | 0 | 0 | 114.1 | ||||
| 221 | D | 53.7 | Low | 56 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | -153.4 | 133 | 108.9 | -165.3 | -109.9 | 0 | 0 | 0 | 109.9 | |||||
| 222 | A | 55.4 | Low | 56.1 | Low | 82 Ų | 82 | 127 Ų | 127 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -110.8 | 115.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 223 | A | 57.6 | Low | 56.2 | Low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 178.3 | 120.8 | 153 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 224 | G | 51.4 | Low | 56 | Low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | 98.5 | 126.6 | 57.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 225 | Y | 50.8 | Low | 55.4 | Low | 222 Ų | 222 | 134 Ų | 134 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | trans | 102 | 101.3 | 158.3 | -121.1 | -103.5 | 0 | 0 | 0 | 120.9 | ||||
| 226 | V | 53.4 | Low | 55 | Low | 108 Ų | 108 | 133 Ų | 133 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | 59.4 | 127.6 | 124.8 | -169 | 0 | 0 | 0 | 0 | 122 | |||||
| 227 | A | 47.6 | Very low | 55 | Low | 90 Ų | 90 | 135.7 Ų | 135.7 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -17.3 | 169.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 228 | A | 49.1 | Very low | 54.3 | Low | 94 Ų | 94 | 134.6 Ų | 134.6 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | 96.2 | 103.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 229 | A | 56.1 | Low | 53.9 | Low | 80 Ų | 80 | 128.2 Ų | 128.2 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | 67.5 | 133.3 | 78.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 230 | H | 55.1 | Low | 53.8 | Low | 178 Ų | 178 | 128.9 Ų | 128.9 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 87 | 98.8 | 170.1 | -54.6 | -84.6 | 0 | 0 | 0 | 117.3 | ||||
| 231 | D | 49.9 | Very low | 54.2 | Low | 152 Ų | 152 | 130.5 Ų | 130.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | 14.4 | 106.6 | 114.7 | -136.5 | -87 | 0 | 0 | 0 | 115.2 | |||||
| 232 | V | 57.8 | Low | 54.2 | Low | 130 Ų | 130 | 126.8 Ų | 126.8 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | 178.9 | 149.6 | 131.5 | -90.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 233 | D | 54 | Low | 54.7 | Low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -38.4 | 165 | 178.3 | -64.4 | -88.4 | 0 | 0 | 0 | 119.2 | ||||
| 234 | L | 53.6 | Low | 54.6 | Low | 139 Ų | 139 | 134.2 Ų | 134.2 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | 111.9 | 139.4 | 132.8 | -154.8 | 63.7 | 0 | 0 | 0 | 115.8 | ||||
| 235 | F | 51.5 | Low | 54.9 | Low | 187 Ų | 187 | 139.4 Ų | 139.4 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | trans | 94.9 | 97.7 | 173.5 | -59.3 | -76.6 | 0 | 0 | 0 | 116.8 | ||||
| 236 | G | 49.9 | Very low | 55.1 | Low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 155.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 237 | L | 59.1 | Low | 55.5 | Low | 172 Ų | 172 | 136.3 Ų | 136.3 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -143.1 | 136 | 154.2 | -77.8 | 179.3 | 0 | 0 | 0 | 108.3 | ||||
| 238 | D | 55.6 | Low | 55.6 | Low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -53.4 | 150.8 | -179.6 | -65.4 | -80.4 | 0 | 0 | 0 | 114.6 | ||||
| 239 | G | 55.7 | Low | 56.1 | Low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -161.2 | 55.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H241 | G239-H241 PolarHBondContact O-N 3.28Š| ||
| 240 | D | 57 | Low | 56.6 | Low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -69.5 | 113.3 | 166.4 | -100.7 | -43.1 | 0 | 0 | 0 | 109.6 | ||||
| 241 | H | 64.1 | Low | 56.8 | Low | 178 Ų | 178 | 139 Ų | 139 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -119.5 | 97.2 | 166.5 | -75.5 | 8.9 | 0 | 0 | 0 | 109.4 | G239 | G239-H241 PolarHBondContact O-N 3.28Š| ||
| 242 | G | 54.2 | Low | 57.5 | Low | 79 Ų | 79 | 142.6 Ų | 142.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -69.9 | 124.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 243 | W | 64.3 | Low | 58.1 | Low | 248 Ų | 248 | 143.1 Ų | 143.1 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -101 | 89.9 | 168.5 | 59 | -62 | 0 | 0 | 0 | 107.3 | ||||
| 244 | A | 57.3 | Low | 58.7 | Low | 85 Ų | 85 | 147.9 Ų | 147.9 | 70% | 0.702 | 84% | 0.84 | S | S | * | * | trans | -142.1 | 140.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 245 | Q | 56.7 | Low | 58.9 | Low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | 107.6 | 123.5 | 162.2 | -58.3 | -174 | 75.4 | 0 | 0 | 117.8 | ||||
| 246 | S | 55.5 | Low | 59.3 | Low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 85% | 0.847 | S | S | * | * | trans | 84.3 | 91.2 | 134.6 | -69.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 247 | V | 62.4 | Low | 59.8 | Low | 155 Ų | 155 | 150.6 Ų | 150.6 | 94% | 0.939 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -143.4 | 130.8 | 133.2 | -80.8 | 0 | 0 | 0 | 0 | 106.2 | ||
| 248 | G | 48.5 | Very low | 59.9 | Low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | cis | -161.3 | 130.4 | -15.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 249 | A | 60.1 | Low | 60.1 | Low | 108 Ų | 108 | 148.8 Ų | 148.8 | 89% | 0.893 | 85% | 0.853 | S | S | * | * | trans | -112.3 | 99.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 250 | L | 66.8 | Low | 60.4 | Low | 163 Ų | 163 | 154 Ų | 154 | 85% | 0.853 | 86% | 0.862 | S | S | * | * | trans | -96 | 120.1 | 168.3 | -96.2 | 148.3 | 0 | 0 | 0 | 107.8 | ||||
| 251 | L | 58.4 | Low | 60.7 | Low | 152 Ų | 152 | 153.9 Ų | 153.9 | 80% | 0.796 | 86% | 0.864 | S | S | * | * | trans | 27 | 108.9 | 139.6 | -103.7 | 61.9 | 0 | 0 | 0 | 115.5 | ||||
| 252 | W | 65.4 | Low | 60.4 | Low | 226 Ų | 226 | 152.1 Ų | 152.1 | 86% | 0.856 | 87% | 0.867 | S | S | * | * | 36.1 | 115.9 | 70.8 | -81.4 | 68.1 | 0 | 0 | 0 | 115.7 | |||||
| 253 | N | 69.3 | Low | 60.9 | Low | 142 Ų | 142 | 158.2 Ų | 158.2 | 76% | 0.759 | 87% | 0.871 | S | S | * | * | trans | 68.5 | 92.1 | 154.2 | -88.1 | -24 | 0 | 0 | 0 | 118.9 | ||||
| 254 | L | 66.7 | Low | 60.6 | Low | 248 Ų | 248 | 150 Ų | 150 | 100% | 1.298 | 87% | 0.865 | S | S | * | * | -153 | 0 | 109 | -159.6 | 66 | 0 | 0 | 0 | 108.9 |
Retrieved 254 of 254 residues in 46.7 ms
(Link to these results)