| 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 | 40.4 | Very low | 36 | Very low | 243 Ų | 243 | 158.8 Ų | 158.8 | 100% | 1.197 | 83% | 0.829 | S | S | * | * | 0 | 153 | 0 | -71.5 | 165.8 | 75 | 0 | 0 | 108.3 | |||||
| 2 | S | 32.3 | Very low | 35.6 | Very low | 114 Ų | 114 | 154.5 Ų | 154.5 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -36.8 | 127.9 | -179 | -57.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3 | R | 32.5 | Very low | 35.2 | Very low | 227 Ų | 227 | 152.5 Ų | 152.5 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | 86 | 114.1 | 68.3 | -95.3 | -175.2 | 174.6 | 173.6 | -2.9 | 113.6 | |||||
| 4 | T | 35.2 | Very low | 34.9 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | 36.9 | 130.8 | 133.8 | 59.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 5 | S | 35.9 | Very low | 35 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | 161.1 | 153.3 | 108.4 | -83.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 6 | E | 33.7 | Very low | 34.8 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -58.3 | 153.7 | -174.7 | -63 | 132.5 | 117.6 | 0 | 0 | 117.7 | ||||
| 7 | S | 38.1 | Very low | 34.6 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -175.1 | 145.6 | 147 | 56.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 8 | H | 40.3 | Very low | 34.8 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | cis | -151.4 | 147.4 | -0.3 | -116 | -65.4 | 0 | 0 | 0 | 108 | ||||
| 9 | E | 34.3 | Very low | 34.6 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -65.9 | 157.4 | 159.7 | -59.7 | 172.8 | 124.8 | 0 | 0 | 110.7 | ||||
| 10 | L | 37.9 | Very low | 34.6 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | -175 | 107.3 | 137.4 | -100.7 | 174.3 | 0 | 0 | 0 | 112.9 | ||||
| 11 | N | 35.7 | Very low | 34.7 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 72% | 0.717 | 82% | 0.821 | S | S | * | * | trans | 43.7 | 111.6 | 131.7 | -67.6 | -9.9 | 0 | 0 | 0 | 122.3 | ||||
| 12 | S | 30.8 | Very low | 34.4 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | 37.8 | 123.1 | 123.8 | 63.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 13 | C | 30.4 | Very low | 34.4 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -158.4 | 119.6 | 135.9 | -131.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 14 | S | 31.7 | Very low | 34.6 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 129.2 | 161.7 | 53.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 15 | A | 35.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -136 | 114.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 16 | N | 31.9 | Very low | 34.9 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -74.2 | 153.4 | 162.3 | -81.1 | -16.6 | 0 | 0 | 0 | 110 | ||||
| 17 | S | 31.9 | Very low | 35 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 66.6 | 104.5 | 166.4 | -163.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 18 | K | 37.8 | Very low | 34.9 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | -160.3 | 140.2 | 126.8 | -110.1 | 166.9 | -173.1 | -179.1 | 0 | 111.6 | |||||
| 19 | E | 30.7 | Very low | 34.6 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -46.9 | 133.2 | 170.7 | -71.9 | 135.2 | 122.3 | 0 | 0 | 112.6 | ||||
| 20 | G | 35.6 | Very low | 34.8 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -133.9 | 110.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | F22 | G20-F22 PolarHBondContact O-N 3.19Š| ||
| 21 | H | 36.3 | Very low | 34.8 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -61.1 | 121.4 | -173 | -75.1 | -105 | 0 | 0 | 0 | 112.8 | ||||
| 22 | F | 35 | Very low | 34.8 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -123 | 82.3 | 147.1 | -87.7 | -83.1 | 0 | 0 | 0 | 107.5 | G20 | G20-F22 PolarHBondContact O-N 3.19Š| ||
| 23 | S | 32.5 | Very low | 35.1 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 60% | 0.601 | 82% | 0.819 | S | S | * | * | trans | -150.8 | 79.5 | 175 | -66.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 24 | D | 35.8 | Very low | 35.2 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -164.9 | 150.5 | 163.2 | -84.8 | -40.9 | 0 | 0 | 0 | 105.8 | ||
| 25 | I | 41.5 | Very low | 35.3 | Very low | 166 Ų | 166 | 150.4 Ų | 150.4 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 93.8 | -13 | 174.9 | -52.6 | 164.4 | 0 | 0 | 0 | 118.1 | ||
| 26 | L | 35.2 | Very low | 35.3 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -129.9 | 55.1 | 171.9 | -76.3 | 176.4 | 0 | 0 | 0 | 114 | ||||
| 27 | Q | 36.4 | Very low | 35.3 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -120.4 | 6.8 | -179.8 | -108.2 | -178.9 | 7.1 | 0 | 0 | 116.3 | A29 | Q27-A29 PolarHBondContact O-N 3.24Š| ||
| 28 | D | 35.9 | Very low | 35.5 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -101 | 47.4 | -179.3 | -77 | -35.4 | 0 | 0 | 0 | 114 | ||||
| 29 | A | 33.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 152.2 Ų | 152.2 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -118.5 | 109.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q27 T31 | Q27-A29 PolarHBondContact O-N 3.24Å; A29-T31 PolarHBondContact O-N 3.08Å; A29-T31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | P | 38.2 | Very low | 35.4 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -74.4 | 106.6 | -171.7 | 28.2 | -34.1 | 0 | 0 | 0 | 112.2 | M32 | P30-M32 PolarHBondContact O-N 3.32Å; P30-M32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | T | 39.1 | Very low | 35.4 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -72.9 | 96.3 | 168.8 | 29.9 | 0 | 0 | 0 | 0 | 110.8 | A29 N33 | A29-T31 PolarHBondContact O-N 3.08Å; A29-T31 VanDerWaalsContact O-N 3.12Å; T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 3.35Å | ||
| 32 | M | 34.8 | Very low | 35 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -69.3 | 79.4 | 171.7 | -73.3 | -139.4 | -57.6 | 0 | 0 | 111.9 | P30 | P30-M32 PolarHBondContact O-N 3.32Å; P30-M32 VanDerWaalsContact O-N 3.11Å | ||
| 33 | N | 37.1 | Very low | 35 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -143.5 | 21.4 | 175 | -118.1 | -7.1 | 0 | 0 | 0 | 114.6 | T31 | T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 3.35Å | ||
| 34 | N | 33.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 151.5 Ų | 151.5 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -134.3 | 61.8 | 178.7 | -87.7 | -31 | 0 | 0 | 0 | 113.1 | ||||
| 35 | F | 33 | Very low | 34.6 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -158.7 | 118.5 | 161 | -98.9 | -89.8 | 0 | 0 | 0 | 103.7 | ||||
| 36 | V | 35.1 | Very low | 34.1 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 67% | 0.667 | 81% | 0.813 | S | S | * | * | cis | -142.5 | 134.4 | 23.6 | 167.3 | 0 | 0 | 0 | 0 | 109.6 | S38 | V36-S38 WeakPolarHBondContact CG1-OG 3.48Š| ||
| 37 | Q | 32.3 | Very low | 34.1 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 96% | 0.963 | 80% | 0.803 | S | S | * | * | trans | -102.4 | 113.8 | 155.9 | -82.8 | -172.7 | -14.1 | 0 | 0 | 109 | ||||
| 38 | S | 35.9 | Very low | 34 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -159.3 | 88 | 164 | 55.5 | 0 | 0 | 0 | 0 | 104.8 | V36 | V36-S38 WeakPolarHBondContact CG1-OG 3.48Š| ||
| 39 | E | 32.6 | Very low | 34 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | 59.7 | 74.3 | 80.4 | -162.2 | 174.5 | -130.8 | 0 | 0 | 111.3 | |||||
| 40 | E | 33.6 | Very low | 34 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -148.2 | 91.8 | 154.5 | -131.3 | 170.6 | -159.5 | 0 | 0 | 112.5 | ||||
| 41 | I | 34.7 | Very low | 34 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 65% | 0.651 | 80% | 0.803 | S | S | * | * | trans | 49.3 | 108.4 | 134.5 | -55.3 | 170.1 | 0 | 0 | 0 | 118.1 | H43 | I41-H43 VanDerWaalsContact CG2-CD2 3.45Å; I41-H43 WeakPolarHBondContact CG2-CD2 3.22Å; I41-H43 PolarHBondContact O-N 3.19Å | ||
| 42 | S | 28.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -59.6 | 117.6 | 159.1 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 43 | H | 34.3 | Very low | 33.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -134.1 | 97.4 | 154 | -82.9 | -55.1 | 0 | 0 | 0 | 111.8 | I41 L45 | I41-H43 VanDerWaalsContact CG2-CD2 3.45Å; I41-H43 WeakPolarHBondContact CG2-CD2 3.22Å; I41-H43 PolarHBondContact O-N 3.19Å; H43-L45 PolarHBondContact O-N 3.46Å | ||
| 44 | S | 29.4 | Very low | 33.6 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 116.9 | 159.5 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 45 | L | 31.9 | Very low | 33.8 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -129 | 94.4 | 164.1 | -137.7 | 85 | 0 | 0 | 0 | 109.2 | H43 I47 | H43-L45 PolarHBondContact O-N 3.46Å; L45-I47 HydrophobicContact CD2-CD1 3.82Å; L45-I47 HydrophobicContact CD2-CG1 4.27Å | ||
| 46 | A | 29.8 | Very low | 33.8 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -76.5 | 123.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 47 | I | 36.1 | Very low | 33.9 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -134.7 | 112.5 | 163.5 | -63.9 | -175.3 | 0 | 0 | 0 | 107.1 | L45 | L45-I47 HydrophobicContact CD2-CD1 3.82Å; L45-I47 HydrophobicContact CD2-CG1 4.27Å | ||
| 48 | D | 33.6 | Very low | 34.2 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -61.3 | 145.3 | 170.1 | -66.4 | -67.4 | 0 | 0 | 0 | 111.5 | ||||
| 49 | N | 35.3 | Very low | 34 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -162.8 | 110.4 | 139.8 | -105.3 | -34.6 | 0 | 0 | 0 | 110.9 | ||||
| 50 | P | 35.6 | Very low | 34.2 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -82.1 | 152.8 | 163.3 | 35 | -32.1 | 0 | 0 | 0 | 110 | ||||
| 51 | V | 37 | Very low | 34.2 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -166.3 | 142.6 | 142.2 | 134.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 52 | E | 33.1 | Very low | 34.2 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 156.6 | -173.5 | -51.8 | 166.1 | 101.8 | 0 | 0 | 113.4 | ||||
| 53 | S | 37 | Very low | 34.3 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | -158.9 | 139.6 | 121.4 | 38.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 54 | K | 33.1 | Very low | 34 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 70% | 0.7 | 78% | 0.778 | S | S | * | * | trans | -83.1 | 153.2 | -173.9 | -64 | 157.7 | -178.6 | 163.3 | 0 | 110.6 | ||||
| 55 | N | 37.4 | Very low | 34.1 | Very low | 174 Ų | 174 | 146 Ų | 146 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -153 | 126.4 | 130.2 | -97.9 | -28.7 | 0 | 0 | 0 | 111.3 | ||||
| 56 | V | 34.1 | Very low | 33.9 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -108 | 144.2 | -177.7 | 167.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 57 | L | 36.2 | Very low | 33.9 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -147.8 | 108.5 | 150 | -88.2 | -179.1 | 0 | 0 | 0 | 112.2 | ||||
| 58 | H | 38.8 | Very low | 33.5 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | trans | 40.4 | 107.3 | 151.8 | -65.4 | -66.7 | 0 | 0 | 0 | 123.6 | ||||
| 59 | E | 32.2 | Very low | 33.3 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | 52 | 122.3 | 86.2 | -169.8 | -175.4 | -174.3 | 0 | 0 | 119.3 | |||||
| 60 | K | 36.8 | Very low | 32.9 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | -156.9 | 97.6 | 128.2 | -117.7 | 178.7 | -174.8 | 179.6 | 0 | 111.8 | |||||
| 61 | D | 32.4 | Very low | 32.7 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 143.8 | 165.4 | -64.8 | -59.4 | 0 | 0 | 0 | 110.9 | ||||
| 62 | V | 34.8 | Very low | 32.3 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -139.8 | 86 | 149.6 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 63 | E | 30.5 | Very low | 32.1 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -76.6 | 139.2 | 157.8 | -176.8 | -175.9 | -124.6 | 0 | 0 | 108.7 | ||||
| 64 | T | 28.2 | Very low | 31.7 | Very low | 104 Ų | 104 | 148 Ų | 148 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | 163.6 | 147.2 | 129.3 | 38 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 65 | K | 32.8 | Very low | 31.5 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 79.6 | 99.7 | 149.4 | -74.4 | 157.3 | -173.1 | 175.3 | 0 | 119.5 | ||||
| 66 | A | 27 | Very low | 31.1 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -32.6 | 144.2 | 135.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 67 | N | 30.7 | Very low | 30.7 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -163 | 132 | 130.1 | -92.9 | -13.6 | 0 | 0 | 0 | 109 | ||||
| 68 | D | 26.9 | Very low | 30.3 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 5 | 131.1 | 148.9 | -45.3 | -35 | 0 | 0 | 0 | 118.7 | ||||
| 69 | V | 30.3 | Very low | 29.8 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | -172.5 | 135.1 | 95.6 | 150.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 70 | F | 26.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 146 Ų | 146 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 146.8 | 175.3 | -78.9 | -111.8 | 0 | 0 | 0 | 112.8 | ||||
| 71 | H | 32 | Very low | 29.1 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | 174.7 | 143 | 113.8 | -97.5 | -70 | 0 | 0 | 0 | 110.6 | |||||
| 72 | G | 27.6 | Very low | 29 | Very low | 66 Ų | 66 | 146.9 Ų | 146.9 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 140.9 | 29.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 73 | N | 29.2 | Very low | 28.6 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 61.2 | 105.7 | 151.2 | -54.7 | 11.5 | 0 | 0 | 0 | 119.6 | ||||
| 74 | D | 27.7 | Very low | 28.4 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -70 | 154.3 | 138.5 | -58.1 | -64.8 | 0 | 0 | 0 | 110.2 | ||||
| 75 | D | 29.4 | Very low | 28.3 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 62% | 0.62 | 80% | 0.799 | S | S | * | * | trans | 166.6 | 146.1 | 156.5 | -87.7 | -22.7 | 0 | 0 | 0 | 107.8 | ||||
| 76 | E | 29.5 | Very low | 28.1 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 57% | 0.57 | 79% | 0.793 | S | S | * | * | cis | -162.5 | 115.9 | -17.3 | -175.1 | 176.8 | -154.7 | 0 | 0 | 106.2 | ||||
| 77 | F | 24.6 | Very low | 28 | Very low | 211 Ų | 211 | 150.8 Ų | 150.8 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -111.7 | 73.8 | -174.9 | -140.8 | -74.1 | 0 | 0 | 0 | 111.3 | ||||
| 78 | L | 29.3 | Very low | 28 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -170.4 | 116.5 | 154.7 | -126.8 | 81.5 | 0 | 0 | 0 | 110.9 | ||||
| 79 | G | 28.5 | Very low | 28.1 | Very low | 81 Ų | 81 | 155.4 Ų | 155.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -152.7 | 105.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 80 | L | 28.5 | Very low | 27.9 | Very low | 162 Ų | 162 | 155 Ų | 155 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -75 | 133.9 | -165.5 | -82.2 | 159.7 | 0 | 0 | 0 | 115.2 | ||||
| 81 | L | 26 | Very low | 28 | Very low | 150 Ų | 150 | 156.4 Ų | 156.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 44 | 101.9 | 127.6 | -165.1 | 77.5 | 0 | 0 | 0 | 117.7 | |||||
| 82 | K | 28.4 | Very low | 27.8 | Very low | 212 Ų | 212 | 154 Ų | 154 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | trans | -128.2 | 103.5 | 145.3 | -119.9 | 176.2 | -173.2 | 173.6 | 0 | 113.1 | Q84 | K82-Q84 PolarHBondContact O-N 2.99Š| ||
| 83 | Q | 27.3 | Very low | 27.9 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -42.5 | 117.2 | 169 | -176 | 178.7 | 41.5 | 0 | 0 | 113.5 | ||||
| 84 | Q | 26.3 | Very low | 27.8 | Very low | 185 Ų | 185 | 154.9 Ų | 154.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -141.8 | 103.6 | 151.2 | -118.6 | -176.9 | 9.8 | 0 | 0 | 111.2 | K82 T86 | K82-Q84 PolarHBondContact O-N 2.99Å; Q84-T86 PolarHBondContact O-N 2.95Å | ||
| 85 | T | 25.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -59.8 | 115.8 | 173 | 16.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 86 | T | 28.3 | Very low | 28 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | trans | -133.2 | 114.1 | 156.6 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | Q84 K88 | Q84-T86 PolarHBondContact O-N 2.95Å; T86-K88 PolarHBondContact O-N 3.27Å | ||
| 87 | N | 26.1 | Very low | 28 | Very low | 173 Ų | 173 | 155 Ų | 155 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -65.8 | 99.3 | 172 | -75.4 | -38.9 | 0 | 0 | 0 | 109.7 | ||||
| 88 | K | 29.7 | Very low | 28.4 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -109.2 | 92.2 | 168.9 | -81.9 | -173.8 | 175.9 | 176.8 | 0 | 110.9 | T86 T90 | T86-K88 PolarHBondContact O-N 3.27Å; K88-T90 PolarHBondContact O-N 2.86Å | ||
| 89 | K | 28.8 | Very low | 28.4 | Very low | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | trans | -44 | 114 | 166.3 | -171.5 | 172 | -173.3 | 170 | 0 | 110.2 | R91 | K89-R91 PolarHBondContact O-N 3.02Š| ||
| 90 | T | 27.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -61 | 104.3 | -177.4 | -46.1 | 0 | 0 | 0 | 0 | 110.5 | K88 I92 | K88-T90 PolarHBondContact O-N 2.86Å; T90-I92 PolarHBondContact O-N 3.34Å | ||
| 91 | R | 26.8 | Very low | 28.7 | Very low | 217 Ų | 217 | 152.5 Ų | 152.5 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -79.5 | 102.6 | 172.4 | -167.6 | -178.5 | -161.9 | 173.1 | 4.3 | 107.6 | K89 N93 | K89-R91 PolarHBondContact O-N 3.02Å; R91-N93 PolarHBondContact O-N 3.41Å | ||
| 92 | I | 29.6 | Very low | 28.8 | Very low | 138 Ų | 138 | 152 Ų | 152 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 106.5 | 172.5 | -58 | 174.5 | 0 | 0 | 0 | 107.3 | T90 C94 | T90-I92 PolarHBondContact O-N 3.34Å; I92-C94 PolarHBondContact O-N 3.49Å | ||
| 93 | N | 28.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -75.6 | 97.5 | 169.8 | -89.3 | -3.5 | 0 | 0 | 0 | 108.4 | R91 S95 | R91-N93 PolarHBondContact O-N 3.41Å; N93-S95 VanDerWaalsContact C-N 3.34Å; N93-S95 PolarHBondContact O-N 2.88Å | ||
| 94 | C | 28.1 | Very low | 29.1 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | trans | -77 | 84.4 | 170 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | I92 N96 | I92-C94 PolarHBondContact O-N 3.49Å; C94-N96 PolarHBondContact O-N 2.9Å; C94-N96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | S | 29.2 | Very low | 29.3 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -75.5 | 88.3 | 166.2 | 51.4 | 0 | 0 | 0 | 0 | 110 | N93 | N93-S95 VanDerWaalsContact C-N 3.34Å; N93-S95 PolarHBondContact O-N 2.88Å | ||
| 96 | N | 30.9 | Very low | 29.7 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | 169.8 | 74 | 153.4 | -88.5 | -15.7 | 0 | 0 | 0 | 110.9 | C94 | C94-N96 PolarHBondContact O-N 2.9Å; C94-N96 VanDerWaalsContact O-N 3.12Å | ||
| 97 | L | 30.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | -137 | 59.5 | 173.2 | -81 | 172 | 0 | 0 | 0 | 110.7 | ||||
| 98 | N | 31.9 | Very low | 30 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -92.3 | -5.7 | 178.7 | -85.8 | 4.9 | 0 | 0 | 0 | 114.8 | ||||
| 99 | D | 30.1 | Very low | 30.1 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -108 | 29.2 | -178.9 | -64.9 | -41.4 | 0 | 0 | 0 | 113.7 | ||||
| 100 | S | 31.8 | Very low | 30.1 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | trans | -104.7 | 112.5 | 173.5 | -69.2 | 0 | 0 | 0 | 0 | 111.1 | I102 | S100-I102 PolarHBondContact O-N 3.45Š| ||
| 101 | I | 31.4 | Very low | 30.1 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -62.2 | 100.7 | 177 | -57.8 | 171.8 | 0 | 0 | 0 | 109.3 | L103 | I101-L103 HydrophobicContact CG2-CD2 4.1Å; I101-L103 HydrophobicContact CG2-CG 4.08Å; I101-L103 PolarHBondContact O-N 3.41Å; I101-L103 VanDerWaalsContact O-N 3.1Å | ||
| 102 | I | 28.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | -77 | 95.3 | 172.1 | -61.3 | 178.3 | 0 | 0 | 0 | 108.2 | S100 N104 | S100-I102 PolarHBondContact O-N 3.45Å; I102-N104 VanDerWaalsContact C-N 3.26Å; I102-N104 HydrophobicContact CG2-CB 4.5Å; I102-N104 PolarHBondContact O-N 2.93Å | ||
| 103 | L | 30.5 | Very low | 30.5 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | trans | -75.2 | 80.1 | 166.6 | -69.2 | 176.2 | 0 | 0 | 0 | 109.8 | I101 F105 | I101-L103 HydrophobicContact CG2-CD2 4.1Å; I101-L103 HydrophobicContact CG2-CG 4.08Å; I101-L103 PolarHBondContact O-N 3.41Å; I101-L103 VanDerWaalsContact O-N 3.1Å; L103-F105 HydrophobicContact CB-CD2 4.01Å; L103-F105 HydrophobicContact CB-CE2 3.99Å; L103-F105 HydrophobicContact CD1-CE2 4.31Å; L103-F105 HydrophobicContact CD2-CE2 4.14Å; L103-F105 HydrophobicContact CG-CE2 4.37Å; L103-F105 PolarHBondContact O-N 3.12Å | ||
| 104 | N | 30.9 | Very low | 30.6 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -69.5 | 93.4 | 166.5 | -100.9 | 4 | 0 | 0 | 0 | 109.4 | I102 | I102-N104 VanDerWaalsContact C-N 3.26Å; I102-N104 HydrophobicContact CG2-CB 4.5Å; I102-N104 PolarHBondContact O-N 2.93Å | ||
| 105 | F | 30.8 | Very low | 30.5 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 74% | 0.737 | 77% | 0.772 | S | S | * | * | trans | -97 | 103.1 | 164.3 | -78.7 | -78.8 | 0 | 0 | 0 | 109.3 | L103 P107 | L103-F105 HydrophobicContact CB-CD2 4.01Å; L103-F105 HydrophobicContact CB-CE2 3.99Å; L103-F105 HydrophobicContact CD1-CE2 4.31Å; L103-F105 HydrophobicContact CD2-CE2 4.14Å; L103-F105 HydrophobicContact CG-CE2 4.37Å; L103-F105 PolarHBondContact O-N 3.12Å; F105-P107 WeakPolarHBondContact O-CD 3.49Å | ||
| 106 | D | 33.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -105.6 | 97.7 | 173.2 | -159 | -3.4 | 0 | 0 | 0 | 108.9 | L108 | D106-L108 PolarHBondContact O-N 3.2Š| ||
| 107 | P | 30.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -85.5 | 12.8 | -167.9 | -4.3 | 23.9 | 0 | 0 | 0 | 113.5 | F105 | F105-P107 WeakPolarHBondContact O-CD 3.49Š| ||
| 108 | L | 30.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -134.2 | 60.5 | -166.3 | -68.4 | 175.4 | 0 | 0 | 0 | 112.8 | D106 | D106-L108 PolarHBondContact O-N 3.2Š| ||
| 109 | M | 32.2 | Very low | 30.4 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -130.1 | 137.4 | 163.1 | -98.7 | -60.8 | 111.1 | 0 | 0 | 114.5 | ||||
| 110 | S | 29.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 58 | 67 | 168.7 | 62.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 111 | V | 26.5 | Very low | 30.1 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -98.9 | 82.9 | 142.9 | -174.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 112 | S | 34 | Very low | 29.9 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -133.5 | 101.2 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 113 | K | 30.9 | Very low | 30 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | 29.3 | 104.6 | 153.9 | -66.4 | 177.4 | 178.2 | 175.2 | 0 | 118.1 | ||||
| 114 | G | 30 | Very low | 30 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -150.7 | 85.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A116 | G114-A116 PolarHBondContact O-N 2.92Š| ||
| 115 | C | 26.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 97% | 0.966 | 80% | 0.801 | S | S | * | * | trans | -79 | 107.4 | 178.5 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 116 | A | 31.6 | Very low | 29.9 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -154.6 | 130.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G114 | G114-A116 PolarHBondContact O-N 2.92Š| ||
| 117 | S | 30.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -72.3 | 162.7 | -174.4 | -68.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 118 | P | 28.8 | Very low | 29.8 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -91.4 | 159.4 | -156.7 | 36.1 | -36.6 | 0 | 0 | 0 | 114.6 | ||||
| 119 | Q | 29.9 | Very low | 29.8 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -115.8 | 104 | 154.6 | -80 | -171.4 | -19.7 | 0 | 0 | 110.1 | ||||
| 120 | L | 24.9 | Very low | 29.7 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -69.6 | 121.2 | 155 | -76.8 | 159.9 | 0 | 0 | 0 | 107.5 | ||||
| 121 | C | 29.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -134 | 87.9 | 162.1 | -144.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 122 | E | 27.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -46 | 121.8 | 160.1 | 170.8 | -178.1 | -129.7 | 0 | 0 | 111.7 | ||||
| 123 | S | 30.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 176 | 122.6 | 135.8 | 33.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 124 | V | 29.6 | Very low | 29 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | 78.6 | 128.2 | 130.8 | 178.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 125 | D | 26.8 | Very low | 28.9 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -61.8 | 141.1 | 171.2 | -47.4 | -93.8 | 0 | 0 | 0 | 114.9 | ||||
| 126 | Q | 33.3 | Very low | 29 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -178.2 | 117 | 132.3 | -101.2 | 154.3 | 82.9 | 0 | 0 | 112.6 | ||||
| 127 | L | 28.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | 49.8 | 153.8 | 125.7 | -64.7 | 172.8 | 0 | 0 | 0 | 121.3 | |||||
| 128 | P | 34.8 | Very low | 28.8 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | -136.6 | -163.1 | -52.2 | 35.9 | -15.5 | 0 | 0 | 0 | 111.4 | |||||
| 129 | E | 29.6 | Very low | 28.9 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 71.9 | 137.7 | 169.7 | -56.7 | 171.9 | -170.5 | 0 | 0 | 115.6 | ||||
| 130 | Q | 29.5 | Very low | 28.9 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | -126.6 | 134.9 | 10.3 | -66.2 | 172.9 | -13.1 | 0 | 0 | 111.6 | ||||
| 131 | L | 26.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -96.3 | 105.6 | 169.1 | -127.3 | 143.3 | 0 | 0 | 0 | 107.9 | T133 | L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 3.39Å | ||
| 132 | I | 27.4 | Very low | 29 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -75.6 | 88.8 | 172.7 | -61.3 | 179.1 | 0 | 0 | 0 | 108.1 | I134 | I132-I134 HydrophobicContact CG2-CG1 4.05Å; I132-I134 PolarHBondContact O-N 2.88Å | ||
| 133 | T | 25.7 | Very low | 29.2 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | trans | -80.6 | 104.8 | 166.5 | -58.9 | 0 | 0 | 0 | 0 | 108.4 | L131 T135 | L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 3.39Å; T133-T135 PolarHBondContact O-N 3.49Å | ||
| 134 | I | 27.3 | Very low | 29 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -76.1 | 94.4 | 170.7 | -54.3 | 179.4 | 0 | 0 | 0 | 108 | I132 | I132-I134 HydrophobicContact CG2-CG1 4.05Å; I132-I134 PolarHBondContact O-N 2.88Å | ||
| 135 | T | 27.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 130.2 | 168.7 | -50.6 | 0 | 0 | 0 | 0 | 108.6 | T133 E137 | T133-T135 PolarHBondContact O-N 3.49Å; T135-E137 PolarHBondContact O-N 2.74Å |
| 136 | P | 30.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 116.5 | 170.6 | -2.4 | 17.2 | 0 | 0 | 0 | 109.1 | ||
| 137 | E | 28.4 | Very low | 29.1 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.7 | 169.6 | -89.2 | -152.9 | 143 | 0 | 0 | 111.2 | T135 S139 | T135-E137 PolarHBondContact O-N 2.74Å; E137-S139 PolarHBondContact O-N 2.98Å |
| 138 | P | 27.6 | Very low | 29.4 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -86.1 | 97 | 177.5 | 33.6 | -32.4 | 0 | 0 | 0 | 111.2 | ||||
| 139 | S | 32.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -90.8 | 109.2 | 171 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | E137 S141 | E137-S139 PolarHBondContact O-N 2.98Å; S139-S141 PolarHBondContact O-N 2.91Å | ||
| 140 | N | 28.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -60.1 | 124.9 | 177.5 | -74.8 | -45.5 | 0 | 0 | 0 | 112.6 | ||||
| 141 | S | 30.9 | Very low | 30 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -152.7 | 133.7 | 142.2 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | S139 I143 | S139-S141 PolarHBondContact O-N 2.91Å; S141-I143 PolarHBondContact O-N 3.15Å | ||
| 142 | N | 27.1 | Very low | 30.5 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -71.4 | 118.4 | -171.9 | -66.7 | -41.1 | 0 | 0 | 0 | 111.9 | ||||
| 143 | I | 30.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | -132.1 | 108.3 | 156.4 | -58.2 | -176.5 | 0 | 0 | 0 | 108.9 | S141 I145 | S141-I143 PolarHBondContact O-N 3.15Å; I143-I145 HydrophobicContact CG2-CG1 4.04Å; I143-I145 PolarHBondContact O-N 2.9Å | ||
| 144 | T | 26.9 | Very low | 31.9 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -76.5 | 105 | 174.8 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 145 | I | 30.9 | Very low | 32.5 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | trans | -99.6 | 111.1 | 168.6 | -57.2 | -176.1 | 0 | 0 | 0 | 108.3 | I143 T147 | I143-I145 HydrophobicContact CG2-CG1 4.04Å; I143-I145 PolarHBondContact O-N 2.9Å; I145-T147 PolarHBondContact O-N 3.45Å | ||
| 146 | N | 31.1 | Very low | 32.8 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -63.7 | 125.3 | 179.8 | -98.6 | -26.6 | 0 | 0 | 0 | 110.9 | ||||
| 147 | T | 30.8 | Very low | 33.1 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 64% | 0.644 | 71% | 0.705 | S | S | * | * | trans | -77.5 | 122.3 | 168.7 | 35.5 | 0 | 0 | 0 | 0 | 109.7 | I145 Y149 | I145-T147 PolarHBondContact O-N 3.45Å; T147-Y149 WeakPolarHBondContact O-CD2 3.44Å; T147-Y149 PolarHBondContact O-N 3.31Å | ||
| 148 | S | 33.1 | Very low | 33.4 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 58% | 0.58 | 70% | 0.695 | S | S | * | * | trans | -76.4 | 113.8 | 174.8 | 44 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 149 | Y | 34.4 | Very low | 33.7 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 125.9 | 175.5 | -76.8 | -97.6 | 0 | 0 | 0 | 110.7 | T147 | T147-Y149 WeakPolarHBondContact O-CD2 3.44Å; T147-Y149 PolarHBondContact O-N 3.31Å |
| 150 | Y | 30.9 | Very low | 33.7 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 63% | 0.627 | 70% | 0.702 | S | S | * | * | B | Isolated β-bridge | trans | -82.9 | 141 | 168.3 | -68.7 | -91.9 | 0 | 0 | 0 | 110.4 | L156 | Y150-L156 HydrophobicContact CE1-CD2 4.47Å |
| 151 | N | 42.7 | Very low | 33.7 | Very low | 55 Ų | 55 | 126.3 Ų | 126.3 | 29% | 0.294 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 171.4 | 167.3 | 82 | -5.5 | 0 | 0 | 0 | 111.3 | T153 G154 H155 I157 | N151-T153 PolarHBondContact ND2-OG1 2.99Å; N151-T153 PolarHBondContact O-N 2.87Å; N151-T153 WeakPolarHBondContact OD1-CA 3.31Å; N151-T153 PolarHBondContact OD1-N 2.94Å; N151-T153 PolarHBondContact OD1-OG1 3.45Å; N151-G154 PolarHBondContact O-N 2.96Å; N151-G154 PolarHBondContact OD1-N 2.82Å; N151-H155 PolarHBondContact OD1-N 3.37Å; N151-I157 HydrophobicContact CB-CD1 3.65Å; N151-I157 HydrophobicContact CB-CG1 4.23Å |
| 152 | R | 36.8 | Very low | 33.8 | Very low | 265 Ų | 265 | 129.2 Ų | 129.2 | 100% | 1 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -5.7 | 178 | -93.4 | -174.9 | 172.8 | -175.5 | -2.4 | 115.5 | ||
| 153 | T | 50.2 | Low | 33.9 | Very low | 105 Ų | 105 | 130 Ų | 130 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 7.9 | 176.5 | 34.8 | 0 | 0 | 0 | 0 | 113.8 | N151 H155 | N151-T153 PolarHBondContact ND2-OG1 2.99Å; N151-T153 PolarHBondContact O-N 2.87Å; N151-T153 WeakPolarHBondContact OD1-CA 3.31Å; N151-T153 PolarHBondContact OD1-N 2.94Å; N151-T153 PolarHBondContact OD1-OG1 3.45Å; T153-H155 VanDerWaalsContact C-N 3.31Å; T153-H155 PolarHBondContact O-N 3.36Å |
| 154 | G | 32 | Very low | 33.8 | Very low | 52 Ų | 52 | 131 Ų | 131 | 54% | 0.536 | 70% | 0.695 | S | S | . | * | S | Bend | trans | 76.2 | 11 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N151 | N151-G154 PolarHBondContact O-N 2.96Å; N151-G154 PolarHBondContact OD1-N 2.82Å |
| 155 | H | 40.2 | Very low | 33.9 | Very low | 133 Ų | 133 | 133 Ų | 133 | 62% | 0.616 | 70% | 0.701 | S | S | * | * | trans | -91.5 | 140.1 | 173.3 | -71 | -66.4 | 0 | 0 | 0 | 111.3 | N151 T153 I157 | N151-H155 PolarHBondContact OD1-N 3.37Å; T153-H155 VanDerWaalsContact C-N 3.31Å; T153-H155 PolarHBondContact O-N 3.36Å; H155-I157 PolarHBondContact O-N 3.08Å | ||
| 156 | L | 34 | Very low | 33.6 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | B | Isolated β-bridge | trans | -64.6 | 113.9 | 165.8 | -76.5 | 166.5 | 0 | 0 | 0 | 108.7 | Y150 | Y150-L156 HydrophobicContact CE1-CD2 4.47Å |
| 157 | I | 35.9 | Very low | 33.5 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 56% | 0.564 | 71% | 0.709 | S | S | * | * | trans | -90.9 | 107.4 | 169.5 | -61.3 | -175.7 | 0 | 0 | 0 | 107.9 | N151 H155 | N151-I157 HydrophobicContact CB-CD1 3.65Å; N151-I157 HydrophobicContact CB-CG1 4.23Å; H155-I157 PolarHBondContact O-N 3.08Å | ||
| 158 | S | 34.5 | Very low | 33.2 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -66.5 | 132.8 | 158.4 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | I160 | S158-I160 PolarHBondContact O-N 2.93Š| ||
| 159 | P | 34.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -68.8 | 107.6 | 175.7 | 27.2 | -32.4 | 0 | 0 | 0 | 110.2 | ||||
| 160 | I | 32.2 | Very low | 32.5 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -101.3 | 139.2 | 167.9 | -72.8 | 175.9 | 0 | 0 | 0 | 108.5 | S158 | S158-I160 PolarHBondContact O-N 2.93Š| ||
| 161 | G | 28.5 | Very low | 32.3 | Very low | 56 Ų | 56 | 131.1 Ų | 131.1 | 58% | 0.577 | 73% | 0.73 | S | S | * | * | trans | 125.8 | 128.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 162 | N | 32.2 | Very low | 31.5 | Very low | 170 Ų | 170 | 134 Ų | 134 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | cis | -139.3 | 164 | 18.2 | -62.9 | -40.2 | 0 | 0 | 0 | 112.8 | ||||
| 163 | E | 29.5 | Very low | 31.4 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -88.8 | -178.7 | -168.9 | -53.9 | 178.7 | 158.2 | 0 | 0 | 113.5 | ||||
| 164 | E | 27.9 | Very low | 30.4 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | 60.8 | 111.1 | 162.4 | -56.8 | -168.1 | 135.6 | 0 | 0 | 118.4 | ||||
| 165 | L | 29.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | -164.8 | 131.1 | 92 | -98 | 166.7 | 0 | 0 | 0 | 112 | |||||
| 166 | I | 25.2 | Very low | 29.5 | Very low | 139 Ų | 139 | 134 Ų | 134 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -72.2 | 139.9 | -178.9 | -64.6 | 156.5 | 0 | 0 | 0 | 110.1 | V168 | I166-V168 HydrophobicContact CG2-CG2 3.88Š| ||
| 167 | N | 28.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | trans | -144.5 | 114.8 | 146.1 | -112.3 | -25.6 | 0 | 0 | 0 | 111.8 | ||||
| 168 | V | 23.7 | Very low | 28.8 | Very low | 105 Ų | 105 | 134 Ų | 134 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -85.4 | 128.1 | -179.4 | 172.6 | 0 | 0 | 0 | 0 | 109.5 | I166 T170 | I166-V168 HydrophobicContact CG2-CG2 3.88Å; V168-T170 HydrophobicContact CG1-CG2 3.96Å | ||
| 169 | V | 28 | Very low | 28.4 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -133.7 | 119.8 | 149.3 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 170 | T | 25.2 | Very low | 28 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -84.8 | 140.8 | -177.7 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | V168 | V168-T170 HydrophobicContact CG1-CG2 3.96Š| ||
| 171 | A | 27.9 | Very low | 28 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -159.2 | 130.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 172 | S | 25.4 | Very low | 28 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -131.9 | -159.6 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 173 | P | 33.6 | Very low | 28 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | -128.4 | 173.1 | -99.7 | 39.5 | -22.3 | 0 | 0 | 0 | 114.8 | |||||
| 174 | T | 29.3 | Very low | 27.9 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -156.5 | 110.8 | 164.2 | -41.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 175 | M | 25.9 | Very low | 28 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | 78.2 | 147.3 | 64.2 | -81.8 | -77.7 | -80 | 0 | 0 | 115.5 | |||||
| 176 | I | 29.1 | Very low | 27.8 | Very low | 148 Ų | 148 | 127 Ų | 127 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 90.3 | 135.4 | 169.1 | -58.2 | 163.1 | 0 | 0 | 0 | 115.9 | ||||
| 177 | T | 28.7 | Very low | 28.1 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | cis | -167.1 | 164.4 | -16.7 | -87.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 178 | T | 24.8 | Very low | 27.9 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | -34.7 | 166 | 176.6 | 63.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 179 | T | 27.6 | Very low | 28.2 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | -170.9 | 148.8 | 81.4 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 180 | T | 26 | Very low | 28 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -70 | 158.3 | -178.2 | -25.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 181 | S | 31.8 | Very low | 28.2 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | -177.4 | 142.8 | 125.2 | -80.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 182 | S | 28.7 | Very low | 28.1 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -47.2 | 159.4 | 173.5 | 56.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 183 | S | 33.1 | Very low | 28.2 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | -167.5 | 169.4 | 71.9 | 53.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 184 | I | 25.7 | Very low | 27.9 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -109.7 | 152.6 | -166.5 | -58.9 | 155.9 | 0 | 0 | 0 | 110.6 | T186 | I184-T186 HydrophobicContact CG2-CG2 4.31Š| ||
| 185 | S | 30.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -150.8 | 157.5 | 143 | -153.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 186 | T | 25.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | -121.6 | 152.5 | -159.3 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | I184 | I184-T186 HydrophobicContact CG2-CG2 4.31Š| ||
| 187 | T | 31.1 | Very low | 27.8 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | trans | -150.9 | 148.1 | 142.8 | 24.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 188 | K | 25.5 | Very low | 27.7 | Very low | 200 Ų | 200 | 125.9 Ų | 125.9 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | -90.3 | 154.8 | 180 | -60.5 | 168.1 | 177.5 | 173.9 | 0 | 110.7 | ||||
| 189 | S | 28.7 | Very low | 27.9 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -145.1 | 149.4 | 140.1 | -164.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 190 | T | 25.2 | Very low | 27.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -122.2 | 127 | -166.6 | -54.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 191 | V | 28.2 | Very low | 28 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | trans | -135.8 | 121.8 | 161.3 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 192 | A | 26.4 | Very low | 27.7 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -98.4 | 151.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 193 | P | 27.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -88 | -169.3 | -177.2 | 38 | -37.9 | 0 | 0 | 0 | 112.6 | ||||
| 194 | L | 25.9 | Very low | 27.6 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | 101.3 | 139.4 | 176.3 | -59 | 162.8 | 0 | 0 | 0 | 113.7 | ||||
| 195 | S | 27.8 | Very low | 27.6 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 54% | 0.538 | 76% | 0.76 | S | S | . | * | cis | -159.2 | 158.5 | -10.4 | -132.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 196 | P | 27.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -79.1 | 152.1 | -179.3 | 33.6 | -33.9 | 0 | 0 | 0 | 111.6 | ||||
| 197 | H | 27.7 | Very low | 28 | Very low | 151 Ų | 151 | 132 Ų | 132 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -118.7 | 118.6 | 162.2 | -140.7 | -69.6 | 0 | 0 | 0 | 111 | ||||
| 198 | V | 26.2 | Very low | 27.8 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 65% | 0.648 | 75% | 0.754 | S | S | * | * | trans | -63 | 146.2 | 168.4 | 175.7 | 0 | 0 | 0 | 0 | 108.9 | V200 | V198-V200 HydrophobicContact CG1-CG2 3.76Š| ||
| 199 | N | 29.2 | Very low | 28.1 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -132.8 | 132.6 | 146.3 | -150.1 | 21.9 | 0 | 0 | 0 | 110.8 | ||||
| 200 | V | 25.2 | Very low | 28.1 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | trans | -109.5 | 117.3 | 178.8 | 172.3 | 0 | 0 | 0 | 0 | 106.8 | V198 | V198-V200 HydrophobicContact CG1-CG2 3.76Š| ||
| 201 | D | 29.9 | Very low | 28.3 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -125.8 | 79.5 | 168 | -88.7 | -47.4 | 0 | 0 | 0 | 111 | ||||
| 202 | Q | 26.4 | Very low | 28.3 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | 0.7 | 112.9 | 134.5 | -180 | 175 | 68.9 | 0 | 0 | 116.8 | ||||
| 203 | F | 30.4 | Very low | 28.4 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | trans | -139.9 | 134.2 | 149.4 | -101 | -81.4 | 0 | 0 | 0 | 112.1 | ||||
| 204 | N | 28.2 | Very low | 28.4 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -69.6 | 165.6 | 178.9 | -44.8 | -74.8 | 0 | 0 | 0 | 110.4 | ||||
| 205 | S | 27.4 | Very low | 28.3 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -172 | 172 | 38.6 | -138.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 206 | P | 33.2 | Very low | 28.2 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | trans | -101.5 | 173.3 | -164.7 | 40.2 | -36.2 | 0 | 0 | 0 | 115.5 | ||||
| 207 | C | 29.8 | Very low | 28 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 90% | 0.899 | 76% | 0.757 | S | S | * | * | trans | -141.5 | 116.2 | 151.5 | -82.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 208 | D | 26.5 | Very low | 28 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -72.6 | 151.7 | 163.7 | -72.6 | -68.3 | 0 | 0 | 0 | 110.4 | ||||
| 209 | D | 33 | Very low | 27.9 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -158.3 | 98.3 | 130.7 | -113.7 | -21.9 | 0 | 0 | 0 | 113.4 | ||||
| 210 | V | 27.8 | Very low | 27.9 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | trans | 2.3 | 128.8 | 141 | -177 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 211 | I | 30.8 | Very low | 27.9 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | -158.7 | 132.1 | 121 | -99.5 | 152.1 | 0 | 0 | 0 | 111.2 | |||||
| 212 | Q | 27.7 | Very low | 27.6 | Very low | 141 Ų | 141 | 142 Ų | 142 | 66% | 0.659 | 78% | 0.776 | S | S | * | * | trans | -93.7 | 172.2 | 179.2 | -64.5 | 174.2 | -22.6 | 0 | 0 | 112.1 | ||||
| 213 | R | 27.6 | Very low | 27.6 | Very low | 206 Ų | 206 | 141.6 Ų | 141.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | 93.8 | 106.4 | 131.9 | -126.1 | -173.7 | -71.9 | 156.1 | -2.1 | 117.7 | ||||
| 214 | I | 28.8 | Very low | 27.1 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | 166.7 | 126.9 | 96.8 | -80.6 | 173 | 0 | 0 | 0 | 108.9 | |||||
| 215 | T | 23.2 | Very low | 27.1 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -97.9 | 134.9 | 172 | -39.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 216 | T | 25.9 | Very low | 26.9 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -145.5 | 128.4 | 160.1 | -42.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 217 | T | 23.3 | Very low | 26.6 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | -111.7 | 135.6 | 178.8 | 30.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 218 | V | 26.8 | Very low | 26.4 | Very low | 128 Ų | 128 | 137 Ų | 137 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -145.3 | 122.3 | 161.5 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 219 | P | 25.7 | Very low | 26.5 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -104.1 | 145.3 | 172.5 | 36.6 | -29.7 | 0 | 0 | 0 | 112.3 | ||||
| 220 | V | 27.8 | Very low | 26.1 | Very low | 143 Ų | 143 | 139 Ų | 139 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -135.1 | 145.2 | 169.3 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 221 | K | 25.3 | Very low | 26.1 | Very low | 178 Ų | 178 | 142 Ų | 142 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | -104 | 139.9 | -167 | -119 | 177.5 | 178.9 | 178 | 0 | 112.3 | ||||
| 222 | T | 23.8 | Very low | 25.7 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | 25.9 | 132.2 | 138.5 | 58 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 223 | T | 26.2 | Very low | 25.8 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | -170.3 | 145.3 | 112.1 | 23.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 224 | C | 20.5 | Very low | 25.6 | Very low | 132 Ų | 132 | 133 Ų | 133 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | trans | -91.5 | 155.1 | 178.6 | -47.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 225 | S | 27.1 | Very low | 25.7 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -157.9 | 134.3 | 146.2 | -164.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 226 | T | 24.3 | Very low | 26.1 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -76.7 | 147 | -176.8 | -43.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 227 | G | 27.3 | Very low | 26 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -162.8 | 96.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 228 | V | 25.8 | Very low | 26.2 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -83.3 | 133.2 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 229 | E | 28.1 | Very low | 26.2 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -164.1 | 138.3 | 137.9 | -114.8 | 170.9 | -155.4 | 0 | 0 | 113.7 | ||||
| 230 | L | 24 | Very low | 26.4 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -87.1 | 132.6 | 174.4 | -80.7 | 147.4 | 0 | 0 | 0 | 110.2 | ||||
| 231 | L | 27.4 | Very low | 26.4 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -144.3 | 132.5 | 154.1 | -84 | -177 | 0 | 0 | 0 | 112.7 | ||||
| 232 | S | 23.6 | Very low | 26.6 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -101 | 138.4 | 174.2 | -55.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 233 | S | 28.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -157.7 | 111.5 | 163.9 | 56.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 234 | S | 25.2 | Very low | 27.2 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | 73.9 | 102 | 64.6 | -61 | 0 | 0 | 0 | 0 | 115 | |||||
| 235 | F | 29.7 | Very low | 27.5 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -140.3 | 101.8 | 154.4 | -81.7 | -85.8 | 0 | 0 | 0 | 106 | ||||
| 236 | S | 31.7 | Very low | 27.5 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | 75.6 | 86.7 | 68.6 | -173.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 237 | T | 24.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 30.9 | 126.4 | 131.1 | 11.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 238 | L | 26.3 | Very low | 27.6 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | -144.8 | 99 | 129.4 | -163.4 | 69.3 | 0 | 0 | 0 | 111.3 | |||||
| 239 | A | 26.2 | Very low | 27.6 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | -97.9 | 113.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 240 | N | 30.2 | Very low | 27.4 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -103.2 | 115 | 177.5 | -134 | -9.2 | 0 | 0 | 0 | 110.5 | ||||
| 241 | K | 29.3 | Very low | 27.5 | Very low | 205 Ų | 205 | 132.4 Ų | 132.4 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -85.3 | 115.9 | -178.8 | -68.8 | 175.6 | 178.3 | 174.9 | 0 | 110.2 | ||||
| 242 | S | 28.5 | Very low | 27.3 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -147.5 | 111.2 | 154.5 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 243 | S | 29.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -82.6 | 132.4 | -179.9 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 244 | K | 33.6 | Very low | 27.1 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -172.5 | 103.2 | 132.4 | -103.1 | 161.1 | -172.7 | -177.9 | 0 | 111.9 | ||||
| 245 | T | 27.5 | Very low | 27.1 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | 32.9 | 98.9 | 142.8 | 51.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 246 | C | 26.6 | Very low | 27 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -138.1 | 156.9 | 136.9 | -107.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 247 | P | 30.4 | Very low | 26.8 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -67.8 | 154.2 | -166.5 | -20.2 | 33.8 | 0 | 0 | 0 | 113.9 | V249 | P247-V249 PolarHBondContact O-N 3.19Š| ||
| 248 | A | 22.5 | Very low | 27 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -63.1 | 119.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | V | 26.2 | Very low | 27 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -83.7 | 103.7 | 150.6 | 178.4 | 0 | 0 | 0 | 0 | 106.2 | P247 S251 | P247-V249 PolarHBondContact O-N 3.19Å; V249-S251 PolarHBondContact O-N 3.01Å | ||
| 250 | T | 24.2 | Very low | 27.2 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | trans | -74.9 | 72.2 | 175.5 | -45.4 | 0 | 0 | 0 | 0 | 109.3 | I252 | T250-I252 VanDerWaalsContact C-N 3.29Å; T250-I252 HydrophobicContact CG2-CG1 4.12Å; T250-I252 PolarHBondContact O-N 3.32Å | ||
| 251 | S | 25.8 | Very low | 27.5 | Very low | 91 Ų | 91 | 120.5 Ų | 120.5 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -65.3 | 95.4 | 164.9 | -64.3 | 0 | 0 | 0 | 0 | 107.6 | V249 T253 | V249-S251 PolarHBondContact O-N 3.01Å; S251-T253 PolarHBondContact O-N 2.69Å | ||
| 252 | I | 23.3 | Very low | 27.9 | Very low | 125 Ų | 125 | 119 Ų | 119 | 64% | 0.641 | 70% | 0.699 | S | S | * | * | trans | -66.1 | 91.1 | 170.3 | -60.9 | 176.3 | 0 | 0 | 0 | 106.4 | T250 N254 | T250-I252 VanDerWaalsContact C-N 3.29Å; T250-I252 HydrophobicContact CG2-CG1 4.12Å; T250-I252 PolarHBondContact O-N 3.32Å; I252-N254 HydrophobicContact CG2-CB 4.25Å; I252-N254 VanDerWaalsContact CG2-CG 3.5Å; I252-N254 VanDerWaalsContact CG2-OD1 3.25Å; I252-N254 WeakPolarHBondContact CG2-OD1 3.31Å; I252-N254 PolarHBondContact O-N 3Å | ||
| 253 | T | 24.6 | Very low | 28.5 | Very low | 131 Ų | 131 | 122 Ų | 122 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -68.7 | 73.7 | 159.8 | 42.9 | 0 | 0 | 0 | 0 | 107.7 | S251 A255 | S251-T253 PolarHBondContact O-N 2.69Å; T253-A255 PolarHBondContact O-N 3.19Å | ||
| 254 | N | 24.3 | Very low | 29 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 67% | 0.674 | 68% | 0.683 | S | S | * | * | trans | -61.9 | 88.1 | 154.6 | -83.8 | -13.5 | 0 | 0 | 0 | 105.8 | I252 T256 | I252-N254 HydrophobicContact CG2-CB 4.25Å; I252-N254 VanDerWaalsContact CG2-CG 3.5Å; I252-N254 VanDerWaalsContact CG2-OD1 3.25Å; I252-N254 WeakPolarHBondContact CG2-OD1 3.31Å; I252-N254 PolarHBondContact O-N 3Å; N254-T256 PolarHBondContact O-N 3.48Å; N254-T256 PolarHBondContact O-OG1 3.41Å | ||
| 255 | A | 24.4 | Very low | 28.9 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -64.9 | 69.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | T253 T257 | T253-A255 PolarHBondContact O-N 3.19Å; A255-T257 PolarHBondContact O-N 2.87Å | ||
| 256 | T | 27.5 | Very low | 29.6 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | trans | -59.1 | 99.1 | 167.1 | -40.6 | 0 | 0 | 0 | 0 | 104.1 | N254 I258 | N254-T256 PolarHBondContact O-N 3.48Å; N254-T256 PolarHBondContact O-OG1 3.41Å; T256-I258 PolarHBondContact O-N 3.39Å | ||
| 257 | T | 27.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | trans | -63.7 | 99 | 168.9 | -59.8 | 0 | 0 | 0 | 0 | 103.6 | A255 Y259 | A255-T257 PolarHBondContact O-N 2.87Å; T257-Y259 PolarHBondContact O-N 2.92Å | ||
| 258 | I | 29 | Very low | 30.7 | Very low | 121 Ų | 121 | 114.7 Ų | 114.7 | 62% | 0.621 | 62% | 0.622 | S | S | * | * | trans | -67.7 | 93.1 | -178.4 | -62.4 | -179.6 | 0 | 0 | 0 | 105.4 | T256 S260 | T256-I258 PolarHBondContact O-N 3.39Å; I258-S260 PolarHBondContact O-N 3.48Å | ||
| 259 | Y | 26.6 | Very low | 31.6 | Very low | 170 Ų | 170 | 114.1 Ų | 114.1 | 67% | 0.667 | 61% | 0.606 | S | S | * | * | trans | -80.4 | 69.3 | -175 | -150.8 | -77.7 | 0 | 0 | 0 | 107.2 | T257 P261 H264 | T257-Y259 PolarHBondContact O-N 2.92Å; Y259-P261 VanDerWaalsContact O-CD 3.24Å; Y259-P261 WeakPolarHBondContact O-CD 3.45Å; Y259-P261 VanDerWaalsContact O-N 3.12Å; Y259-H264 AromaticContact CE1-NE2 3.47Å; Y259-H264 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H264 AromaticContact CZ-NE2 3.77Å; Y259-H264 PolarHBondContact OH-NE2 3.31Å | ||
| 260 | S | 30.1 | Very low | 32.6 | Very low | 21 Ų | 21 | 115.1 Ų | 115.1 | 15% | 0.147 | 60% | 0.602 | C | S | . | * | trans | -56.2 | 117.6 | 175.8 | -73.5 | 0 | 0 | 0 | 0 | 108.2 | I258 W262 R263 E796 | I258-S260 PolarHBondContact O-N 3.48Å; S260-W262 PolarHBondContact O-N 3.41Å; S260-R263 PolarHBondContact O-N 2.99Å; S260-E796 PolarHBondContact OG-OE1 2.64Å | ||
| 261 | P | 36.1 | Very low | 33.3 | Very low | 96 Ų | 96 | 111.5 Ų | 111.5 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -55.5 | -29.5 | -179.4 | -26.3 | 35.7 | 0 | 0 | 0 | 112.3 | Y259 R263 H264 | Y259-P261 VanDerWaalsContact O-CD 3.24Å; Y259-P261 WeakPolarHBondContact O-CD 3.45Å; Y259-P261 VanDerWaalsContact O-N 3.12Å; P261-R263 VanDerWaalsContact C-N 3.29Å; P261-R263 PolarHBondContact O-N 2.96Å; P261-H264 PolarHBondContact O-N 3.44Å |
| 262 | W | 38.2 | Very low | 34.3 | Very low | 174 Ų | 174 | 111.7 Ų | 111.7 | 66% | 0.659 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -68.1 | -16 | 178.9 | -49 | 107.4 | 0 | 0 | 0 | 115.2 | S260 H264 E796 | S260-W262 PolarHBondContact O-N 3.41Å; W262-H264 VanDerWaalsContact C-N 3.25Å; W262-H264 PolarHBondContact O-N 3.5Å; W262-E796 VanDerWaalsContact CD1-OE1 3.29Å |
| 263 | R | 41.6 | Very low | 34.8 | Very low | 183 Ų | 183 | 108 Ų | 108 | 69% | 0.691 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -77.1 | -9.3 | 175.5 | -76.2 | -169 | 179 | -124.3 | -1.8 | 113.6 | S260 P261 R265 | S260-R263 PolarHBondContact O-N 2.99Å; P261-R263 VanDerWaalsContact C-N 3.29Å; P261-R263 PolarHBondContact O-N 2.96Å; R263-R265 VanDerWaalsContact C-N 3.34Å; R263-R265 PolarHBondContact O-N 3.48Å |
| 264 | H | 38.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 103.8 Ų | 103.8 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -72.3 | 93 | 162.6 | -77.7 | -77.2 | 0 | 0 | 0 | 109.8 | Y259 P261 W262 S266 | Y259-H264 AromaticContact CE1-NE2 3.47Å; Y259-H264 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H264 AromaticContact CZ-NE2 3.77Å; Y259-H264 PolarHBondContact OH-NE2 3.31Å; P261-H264 PolarHBondContact O-N 3.44Å; W262-H264 VanDerWaalsContact C-N 3.25Å; W262-H264 PolarHBondContact O-N 3.5Å; H264-S266 PolarHBondContact O-N 3.01Å |
| 265 | R | 32.2 | Very low | 35.5 | Very low | 192 Ų | 192 | 101.3 Ų | 101.3 | 73% | 0.725 | 56% | 0.557 | S | S | * | * | trans | -40 | 137.8 | 162.1 | -75.8 | 174.9 | 153.1 | -130.3 | -7 | 109.7 | R263 D276 | R263-R265 VanDerWaalsContact C-N 3.34Å; R263-R265 PolarHBondContact O-N 3.48Å; R265-D276 IonicContact CZ-OD2 3.62Å; R265-D276 IonicContact NH1-OD2 3.83Å; R265-D276 PolarHBondContact NH1-OD2 3.32Å; R265-D276 IonicContact NH2-OD2 2.66Å; R265-D276 PolarHBondContact NH2-OD2 3.1Å | ||
| 266 | S | 42.3 | Very low | 36.3 | Very low | 40 Ų | 40 | 102.8 Ų | 102.8 | 28% | 0.28 | 55% | 0.553 | S | S | . | * | trans | 77.7 | 78.2 | 166.6 | -172.2 | 0 | 0 | 0 | 0 | 118.7 | H264 Q270 | H264-S266 PolarHBondContact O-N 3.01Å; S266-Q270 WeakPolarHBondContact OG-CB 3.38Å; S266-Q270 VanDerWaalsContact OG-CD 3.25Å; S266-Q270 WeakPolarHBondContact OG-CG 3.4Å; S266-Q270 PolarHBondContact OG-N 2.85Å; S266-Q270 PolarHBondContact OG-NE2 2.98Å | ||
| 267 | V | 39.2 | Very low | 36.6 | Very low | 122 Ų | 122 | 100.7 Ų | 100.7 | 74% | 0.739 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -107 | -48.8 | 131.9 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | N269 Q270 A271 | V267-N269 PolarHBondContact O-N 3.03Å; V267-Q270 PolarHBondContact O-N 3.09Å; V267-A271 PolarHBondContact O-N 3.44Å |
| 268 | L | 39.9 | Very low | 37.1 | Very low | 56 Ų | 56 | 103 Ų | 103 | 29% | 0.293 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -38.1 | 177.3 | -126.7 | 80 | 0 | 0 | 0 | 113.5 | Q270 A271 L272 Q803 | L268-Q270 VanDerWaalsContact C-N 3.32Å; L268-Q270 PolarHBondContact O-N 3.41Å; L268-A271 PolarHBondContact O-N 3.27Å; L268-L272 HydrophobicContact CD2-CD1 4.06Å; L268-L272 HydrophobicContact CG-CD1 4.12Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 2.84Å; L268-Q803 HydrophobicContact CD2-CG 4.08Å |
| 269 | N | 42.7 | Very low | 37.5 | Very low | 79 Ų | 79 | 105 Ų | 105 | 42% | 0.422 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.6 | -30 | 177.8 | -71.4 | 15.2 | 0 | 0 | 0 | 112.4 | V267 G273 G274 | V267-N269 PolarHBondContact O-N 3.03Å; N269-G273 PolarHBondContact O-N 3.4Å; N269-G273 VanDerWaalsContact O-N 3.09Å; N269-G274 PolarHBondContact O-N 3.47Å |
| 270 | Q | 45.7 | Very low | 37.9 | Very low | 148 Ų | 148 | 106.4 Ų | 106.4 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.3 | -40.4 | 168.9 | -103.5 | 161.3 | 46.4 | 0 | 0 | 111.5 | S266 V267 L268 | S266-Q270 WeakPolarHBondContact OG-CB 3.38Å; S266-Q270 VanDerWaalsContact OG-CD 3.25Å; S266-Q270 WeakPolarHBondContact OG-CG 3.4Å; S266-Q270 PolarHBondContact OG-N 2.85Å; S266-Q270 PolarHBondContact OG-NE2 2.98Å; V267-Q270 PolarHBondContact O-N 3.09Å; L268-Q270 VanDerWaalsContact C-N 3.32Å; L268-Q270 PolarHBondContact O-N 3.41Å |
| 271 | A | 39.7 | Very low | 37.8 | Very low | 40 Ų | 40 | 108.8 Ų | 108.8 | 33% | 0.331 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.9 | -26.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V267 L268 | V267-A271 PolarHBondContact O-N 3.44Å; L268-A271 PolarHBondContact O-N 3.27Å |
| 272 | L | 45.8 | Very low | 37.6 | Very low | 95 Ų | 95 | 107.4 Ų | 107.4 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -110.3 | 5.1 | -174.3 | -63.1 | 174.1 | 0 | 0 | 0 | 114.5 | L268 V810 | L268-L272 HydrophobicContact CD2-CD1 4.06Å; L268-L272 HydrophobicContact CG-CD1 4.12Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 2.84Å; L272-V810 HydrophobicContact CD1-CG2 4.45Å; L272-V810 HydrophobicContact CD2-CG2 4.25Å |
| 273 | G | 34 | Very low | 37.1 | Very low | 47 Ų | 47 | 107 Ų | 107 | 49% | 0.485 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 73.1 | 26 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N269 G275 | N269-G273 PolarHBondContact O-N 3.4Å; N269-G273 VanDerWaalsContact O-N 3.09Å; G273-G275 PolarHBondContact O-N 3.48Å |
| 274 | G | 33.5 | Very low | 36.5 | Very low | 44 Ų | 44 | 103.3 Ų | 103.3 | 45% | 0.454 | 63% | 0.628 | S | S | . | * | trans | -88.7 | 83 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N269 | N269-G274 PolarHBondContact O-N 3.47Š| ||
| 275 | G | 31.2 | Very low | 36.1 | Very low | 74 Ų | 74 | 102.7 Ų | 102.7 | 76% | 0.763 | 64% | 0.637 | S | S | * | * | trans | -85.3 | 119.4 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | G273 | G273-G275 PolarHBondContact O-N 3.48Š| ||
| 276 | D | 41.2 | Very low | 36.2 | Very low | 119 Ų | 119 | 96.6 Ų | 96.6 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | -68.6 | 135.3 | 168.8 | -88.4 | -24.1 | 0 | 0 | 0 | 110.1 | R265 | R265-D276 IonicContact CZ-OD2 3.62Å; R265-D276 IonicContact NH1-OD2 3.83Å; R265-D276 PolarHBondContact NH1-OD2 3.32Å; R265-D276 IonicContact NH2-OD2 2.66Å; R265-D276 PolarHBondContact NH2-OD2 3.1Å | ||
| 277 | G | 34.2 | Very low | 35.6 | Very low | 57 Ų | 57 | 102.3 Ų | 102.3 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 82.1 | 107.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118 | D279 | G277-D279 PolarHBondContact O-N 3.05Š|
| 278 | D | 36.4 | Very low | 35.2 | Very low | 163 Ų | 163 | 105.7 Ų | 105.7 | 87% | 0.872 | 64% | 0.644 | S | S | * | * | 57.7 | 57.4 | 126.7 | -46.8 | -17.8 | 0 | 0 | 0 | 118.8 | |||||
| 279 | D | 39.2 | Very low | 34.6 | Very low | 163 Ų | 163 | 106.7 Ų | 106.7 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | trans | -148.8 | 140.4 | 150.7 | -109.6 | -31.6 | 0 | 0 | 0 | 112.7 | G277 G281 | G277-D279 PolarHBondContact O-N 3.05Å; D279-G281 PolarHBondContact O-N 2.98Å | ||
| 280 | E | 33.2 | Very low | 33.8 | Very low | 201 Ų | 201 | 108 Ų | 108 | 94% | 0.939 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 122.1 | -174.7 | -74.3 | -110 | -172.7 | 0 | 0 | 112.8 | ||
| 281 | G | 29.7 | Very low | 32.8 | Very low | 70 Ų | 70 | 109.7 Ų | 109.7 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.7 | 12 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | D279 N283 | D279-G281 PolarHBondContact O-N 2.98Å; G281-N283 PolarHBondContact O-N 3.03Å |
| 282 | G | 30.6 | Very low | 32.2 | Very low | 68 Ų | 68 | 112.7 Ų | 112.7 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -84.8 | 68.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | S284 | G282-S284 VanDerWaalsContact C-N 3.31Å; G282-S284 PolarHBondContact O-N 3.43Å | ||
| 283 | N | 28 | Very low | 31.3 | Very low | 165 Ų | 165 | 115.1 Ų | 115.1 | 88% | 0.882 | 71% | 0.712 | S | S | * | * | trans | -76.5 | 71.8 | 176 | -69.1 | 20.8 | 0 | 0 | 0 | 113.1 | G281 | G281-N283 PolarHBondContact O-N 3.03Š| ||
| 284 | S | 29.2 | Very low | 31 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -110.8 | 77.9 | -178.5 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | G282 | G282-S284 VanDerWaalsContact C-N 3.31Å; G282-S284 PolarHBondContact O-N 3.43Å | ||
| 285 | S | 30.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -68.9 | 138.6 | 161.8 | -66.9 | 0 | 0 | 0 | 0 | 110.2 | E287 | S285-E287 PolarHBondContact O-N 2.88Š| ||
| 286 | P | 34.1 | Very low | 30.9 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 42% | 0.416 | 73% | 0.728 | S | S | . | * | trans | -66.3 | 117.3 | 169.2 | -14 | 27.8 | 0 | 0 | 0 | 110 | W288 | P286-W288 PolarHBondContact O-N 3.12Š| ||
| 287 | E | 29.9 | Very low | 30.3 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -71.4 | 94.5 | 170.5 | -74.3 | 177.2 | 161.3 | 0 | 0 | 109.1 | S285 A289 | S285-E287 PolarHBondContact O-N 2.88Å; E287-A289 PolarHBondContact O-N 2.76Å | ||
| 288 | W | 31.1 | Very low | 30.2 | Very low | 193 Ų | 193 | 134 Ų | 134 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | trans | -74 | 65 | 166.8 | -70.6 | 87.9 | 0 | 0 | 0 | 110.5 | P286 F291 | P286-W288 PolarHBondContact O-N 3.12Å; W288-F291 HydrophobicContact CZ3-CE2 4.24Å | ||
| 289 | A | 26.8 | Very low | 29.9 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | trans | -94.6 | 140.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E287 | E287-A289 PolarHBondContact O-N 2.76Š| ||
| 290 | S | 26 | Very low | 29.5 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 81.1 | 52.3 | 175.4 | -49.8 | 0 | 0 | 0 | 0 | 118.2 | S292 | S290-S292 PolarHBondContact O-N 3.19Š| ||
| 291 | F | 25.3 | Very low | 29.2 | Very low | 185 Ų | 185 | 134 Ų | 134 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -87.6 | 74.6 | 134.1 | -93.6 | -80.8 | 0 | 0 | 0 | 109 | W288 I293 | W288-F291 HydrophobicContact CZ3-CE2 4.24Å; F291-I293 PolarHBondContact O-N 3.07Å; F291-I293 VanDerWaalsContact O-N 3.15Å | ||
| 292 | S | 26.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -72.2 | 101.6 | 164.5 | -62.7 | 0 | 0 | 0 | 0 | 107.5 | S290 L294 | S290-S292 PolarHBondContact O-N 3.19Å; S292-L294 PolarHBondContact O-N 3.5Å | ||
| 293 | I | 26.9 | Very low | 29 | Very low | 147 Ų | 147 | 140 Ų | 140 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -62.9 | 107.9 | 166.3 | -62.3 | 176.4 | 0 | 0 | 0 | 106.3 | F291 N295 | F291-I293 PolarHBondContact O-N 3.07Å; F291-I293 VanDerWaalsContact O-N 3.15Å; I293-N295 VanDerWaalsContact C-N 3.29Å; I293-N295 PolarHBondContact O-N 3.24Å | ||
| 294 | L | 28.3 | Very low | 29.1 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | trans | -67.2 | 89.8 | 175.3 | -174.4 | 78 | 0 | 0 | 0 | 107.9 | S292 D296 | S292-L294 PolarHBondContact O-N 3.5Å; L294-D296 WeakPolarHBondContact CD2-OD2 3.37Å; L294-D296 HydrophobicContact CG-CB 4.35Å; L294-D296 WeakPolarHBondContact CG-OD2 3.36Å; L294-D296 PolarHBondContact O-N 3.39Å | ||
| 295 | N | 28.3 | Very low | 29 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -82.4 | 55.8 | -175.2 | -154.1 | 34.8 | 0 | 0 | 0 | 111.1 | I293 N297 | I293-N295 VanDerWaalsContact C-N 3.29Å; I293-N295 PolarHBondContact O-N 3.24Å; N295-N297 PolarHBondContact O-N 2.99Å | ||
| 296 | D | 33 | Very low | 28.8 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 52% | 0.519 | 74% | 0.739 | S | S | . | * | trans | -82.4 | 92.6 | 179.1 | -85.5 | -28.4 | 0 | 0 | 0 | 111.1 | L294 K298 | L294-D296 WeakPolarHBondContact CD2-OD2 3.37Å; L294-D296 HydrophobicContact CG-CB 4.35Å; L294-D296 WeakPolarHBondContact CG-OD2 3.36Å; L294-D296 PolarHBondContact O-N 3.39Å; D296-K298 PolarHBondContact O-N 3.37Å | ||
| 297 | N | 29.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 152.1 Ų | 152.1 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 33.4 | 77.8 | 142.7 | -63 | -44.6 | 0 | 0 | 0 | 118.3 | N295 | N295-N297 PolarHBondContact O-N 2.99Š|
| 298 | K | 31.3 | Very low | 28.2 | Very low | 207 Ų | 207 | 150.1 Ų | 150.1 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | trans | 167.4 | 86.5 | 137.3 | -95.4 | 171.7 | 178.7 | -177.3 | 0 | 111.3 | D296 | D296-K298 PolarHBondContact O-N 3.37Š| ||
| 299 | L | 30.7 | Very low | 28.1 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -130.5 | 134.4 | 151.8 | -89.6 | 172.8 | 0 | 0 | 0 | 109.1 | ||||
| 300 | Q | 30.6 | Very low | 28.1 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -75 | 162.4 | -167.7 | -69.4 | 164.5 | -51.3 | 0 | 0 | 112.2 | I302 | Q300-I302 PolarHBondContact O-N 3.36Å; Q300-I302 VanDerWaalsContact O-N 3.12Å | ||
| 301 | E | 26.6 | Very low | 28.2 | Very low | 173 Ų | 173 | 156.9 Ų | 156.9 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -51.6 | 112.1 | 173 | -61.2 | 166 | 112.1 | 0 | 0 | 111.8 | N303 | E301-N303 PolarHBondContact O-N 2.86Š| ||
| 302 | I | 29.1 | Very low | 28.4 | Very low | 149 Ų | 149 | 159.3 Ų | 159.3 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -93.5 | 80.3 | 159.8 | -66.3 | -178.8 | 0 | 0 | 0 | 107.6 | Q300 I304 | Q300-I302 PolarHBondContact O-N 3.36Å; Q300-I302 VanDerWaalsContact O-N 3.12Å; I302-I304 HydrophobicContact CG2-CD1 3.89Å; I302-I304 HydrophobicContact CG2-CG1 3.71Å; I302-I304 PolarHBondContact O-N 3.4Å | ||
| 303 | N | 26.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 161.2 Ų | 161.2 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 93.6 | 163.9 | -95.9 | -47 | 0 | 0 | 0 | 108.9 | E301 I305 | E301-N303 PolarHBondContact O-N 2.86Å; N303-I305 VanDerWaalsContact C-N 3.3Å; N303-I305 PolarHBondContact O-N 3.45Å; N303-I305 VanDerWaalsContact O-N 3.15Å | ||
| 304 | I | 29.6 | Very low | 29 | Very low | 157 Ų | 157 | 162.3 Ų | 162.3 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 82.7 | 165.3 | -62.8 | 173.7 | 0 | 0 | 0 | 108.3 | I302 | I302-I304 HydrophobicContact CG2-CD1 3.89Å; I302-I304 HydrophobicContact CG2-CG1 3.71Å; I302-I304 PolarHBondContact O-N 3.4Å | ||
| 305 | I | 28 | Very low | 29.1 | Very low | 134 Ų | 134 | 159 Ų | 159 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | -82.9 | 144.3 | 166.2 | -68 | 175.2 | 0 | 0 | 0 | 108.8 | N303 | N303-I305 VanDerWaalsContact C-N 3.3Å; N303-I305 PolarHBondContact O-N 3.45Å; N303-I305 VanDerWaalsContact O-N 3.15Å | ||
| 306 | R | 25.1 | Very low | 29.5 | Very low | 216 Ų | 216 | 159.1 Ų | 159.1 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -37.4 | 136.7 | 172.2 | -62.7 | 168.5 | 167.4 | 178.4 | -4.5 | 114.1 | ||||
| 307 | Q | 25.7 | Very low | 29.6 | Very low | 188 Ų | 188 | 160.2 Ų | 160.2 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | 162.4 | 120.3 | 121.1 | -90.5 | 174 | 17.4 | 0 | 0 | 111.5 | |||||
| 308 | S | 26.4 | Very low | 29.9 | Very low | 118 Ų | 118 | 158.9 Ų | 158.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 175 | 86.2 | 148.9 | 28.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 309 | Q | 28.2 | Very low | 30.2 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | trans | -108.5 | 122.2 | 147.4 | -75.9 | -172.9 | 5.2 | 0 | 0 | 106.1 | ||||
| 310 | L | 28.7 | Very low | 30.4 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -114.5 | 129.8 | 176.6 | -107.9 | 159.4 | 0 | 0 | 0 | 107.6 | ||||
| 311 | E | 27.2 | Very low | 30.4 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -67.7 | 146.8 | -175.3 | -59.9 | 165 | 113.2 | 0 | 0 | 112.1 | ||||
| 312 | Y | 29.2 | Very low | 30.7 | Very low | 236 Ų | 236 | 146.2 Ų | 146.2 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -143 | 113.8 | 146.4 | -95.2 | -77.9 | 0 | 0 | 0 | 109.3 | ||||
| 313 | N | 29.1 | Very low | 30.7 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -82.3 | 145.4 | 173.7 | -78.7 | -50.4 | 0 | 0 | 0 | 110.8 | ||||
| 314 | D | 37 | Very low | 31.2 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -163 | 126.3 | 136.1 | -127.7 | -17.6 | 0 | 0 | 0 | 113.9 | ||||
| 315 | G | 31.6 | Very low | 31.4 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 95.4 | 73.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 316 | N | 36.9 | Very low | 31.6 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | 79.1 | 102.6 | 118.9 | -139.3 | 47.8 | 0 | 0 | 0 | 123.8 | |||||
| 317 | N | 34.4 | Very low | 32 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | 59.9 | 127 | 123.2 | -96.9 | 32.9 | 0 | 0 | 0 | 125.1 | |||||
| 318 | D | 36.5 | Very low | 32.6 | Very low | 117 Ų | 117 | 142 Ų | 142 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | 156.1 | 113.8 | 85.1 | -104.7 | -34.5 | 0 | 0 | 0 | 117.3 | |||||
| 319 | N | 36.5 | Very low | 33 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | 75.3 | 113 | 127.9 | -93 | -65.1 | 0 | 0 | 0 | 127.6 | |||||
| 320 | N | 34.3 | Very low | 33.9 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 48% | 0.481 | 76% | 0.755 | S | S | . | * | 68.4 | 132.7 | 119.3 | -107.7 | -65.5 | 0 | 0 | 0 | 126.4 | |||||
| 321 | L | 32.1 | Very low | 34.8 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | 180 | 152.7 | 116.8 | -165.4 | 60.2 | 0 | 0 | 0 | 113.4 | |||||
| 322 | C | 31.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | trans | -117.4 | -176.9 | -157.6 | -158.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 323 | E | 31 | Very low | 36.7 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 72.2 | 116.3 | 159.1 | -66 | -169.7 | 139.4 | 0 | 0 | 122.9 | ||||
| 324 | N | 37.1 | Very low | 37.4 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | -178.8 | 137.1 | 99.3 | -100.5 | -78.9 | 0 | 0 | 0 | 113.8 | |||||
| 325 | I | 32.5 | Very low | 37.8 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | -123.2 | 133.8 | 173.1 | -67.3 | 169.6 | 0 | 0 | 0 | 108.7 | ||||
| 326 | S | 32.2 | Very low | 38.6 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | -177.9 | 154.7 | 134.3 | -154.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 327 | N | 33.8 | Very low | 39.5 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | 67.8 | 103.2 | 160.8 | -60.3 | -36.5 | 0 | 0 | 0 | 120.2 | ||||
| 328 | N | 38.1 | Very low | 40.2 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | -166.6 | 146.8 | 96.1 | -127.6 | -26.7 | 0 | 0 | 0 | 114 | |||||
| 329 | N | 35.7 | Very low | 40.5 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | trans | -104.4 | 107.1 | -174.1 | -72.1 | -47.9 | 0 | 0 | 0 | 112.2 | ||||
| 330 | N | 46.8 | Very low | 41.5 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | trans | -144.8 | -11 | 173.9 | -89.3 | -32.3 | 0 | 0 | 0 | 117.8 | K332 | N330-K332 PolarHBondContact O-N 2.92Š| ||
| 331 | N | 48.1 | Very low | 42.6 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | trans | -103.5 | 26.8 | -161.2 | -60.9 | 21 | 0 | 0 | 0 | 115.5 | ||||
| 332 | K | 45.7 | Very low | 43.4 | Very low | 160 Ų | 160 | 128 Ų | 128 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.3 | -36.6 | -170.9 | -165.8 | 174.3 | 177.9 | -177.4 | 0 | 114.7 | N330 | N330-K332 PolarHBondContact O-N 2.92Å |
| 333 | E | 49.4 | Very low | 44.5 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.4 | -26.9 | -175.4 | -67 | -173.3 | 138 | 0 | 0 | 113.7 | E336 S337 | E333-E336 PolarHBondContact O-N 2.97Å; E333-S337 PolarHBondContact O-N 2.96Å; E333-S337 PolarHBondContact O-OG 2.85Å |
| 334 | E | 45.2 | Very low | 45.7 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.7 | -33.5 | 180 | -153.9 | 166.5 | -146.1 | 0 | 0 | 111.6 | S337 S338 | E334-S337 WeakPolarHBondContact CA-OG 3.31Å; E334-S337 PolarHBondContact O-OG 2.83Å; E334-S337 VanDerWaalsContact O-OG 3.08Å; E334-S338 PolarHBondContact O-N 3.23Å; E334-S338 VanDerWaalsContact O-N 3.17Å |
| 335 | F | 45.6 | Very low | 46.3 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.1 | -39.7 | 173.8 | -119.6 | -90.4 | 0 | 0 | 0 | 112.6 | S337 A339 | F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 3.16Å; F335-A339 VanDerWaalsContact O-CB 3.29Å; F335-A339 WeakPolarHBondContact O-CB 3.43Å; F335-A339 PolarHBondContact O-N 2.84Å |
| 336 | E | 48.4 | Very low | 47.1 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.6 | -24.4 | 179.6 | -73.4 | -170.5 | -166.3 | 0 | 0 | 113.8 | E333 R340 | E333-E336 PolarHBondContact O-N 2.97Å; E336-R340 PolarHBondContact O-N 2.95Å; E336-R340 PolarHBondContact O-NE 3.14Å; E336-R340 IonicContact OE2-NH2 2.78Å |
| 337 | S | 54.6 | Low | 47.9 | Very low | 62 Ų | 62 | 121 Ų | 121 | 43% | 0.434 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -83.2 | -41.6 | 176.8 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | E333 E334 F335 R340 K341 | E333-S337 PolarHBondContact O-N 2.96Å; E333-S337 PolarHBondContact O-OG 2.85Å; E334-S337 WeakPolarHBondContact CA-OG 3.31Å; E334-S337 PolarHBondContact O-OG 2.83Å; E334-S337 VanDerWaalsContact O-OG 3.08Å; F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 3.16Å; S337-R340 PolarHBondContact O-N 3.31Å; S337-K341 PolarHBondContact O-N 3.36Å; S337-K341 VanDerWaalsContact O-N 3.14Å |
| 338 | S | 50 | Low | 48.8 | Very low | 50 Ų | 50 | 119.1 Ų | 119.1 | 35% | 0.35 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61 | -42.7 | 169 | -76.6 | 0 | 0 | 0 | 0 | 112.6 | E334 R340 K341 I342 | E334-S338 PolarHBondContact O-N 3.23Å; E334-S338 VanDerWaalsContact O-N 3.17Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.41Å; S338-K341 PolarHBondContact O-N 3.29Å; S338-I342 WeakPolarHBondContact O-CG1 3.38Å; S338-I342 PolarHBondContact O-N 3.01Å |
| 339 | A | 42.8 | Very low | 49.2 | Very low | 57 Ų | 57 | 118.6 Ų | 118.6 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.1 | -36.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F335 K343 | F335-A339 VanDerWaalsContact O-CB 3.29Å; F335-A339 WeakPolarHBondContact O-CB 3.43Å; F335-A339 PolarHBondContact O-N 2.84Å; A339-K343 PolarHBondContact O-N 3.2Å |
| 340 | R | 56.2 | Low | 49.6 | Very low | 171 Ų | 171 | 117 Ų | 117 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.8 | -45.5 | 173.8 | -94.1 | 178.9 | -91 | -175.9 | -11.5 | 112.1 | E336 S337 S338 I342 K343 E344 | E336-R340 PolarHBondContact O-N 2.95Å; E336-R340 PolarHBondContact O-NE 3.14Å; E336-R340 IonicContact OE2-NH2 2.78Å; S337-R340 PolarHBondContact O-N 3.31Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.41Å; R340-I342 PolarHBondContact O-N 2.92Å; R340-K343 PolarHBondContact O-N 2.95Å; R340-K343 VanDerWaalsContact O-N 3.13Å; R340-E344 PolarHBondContact O-N 3.49Å; R340-E344 VanDerWaalsContact O-N 3.07Å |
| 341 | K | 58.6 | Low | 50 | Low | 146 Ų | 146 | 117.4 Ų | 117.4 | 64% | 0.635 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -38.2 | -177 | -140.1 | 175.6 | -167.4 | -178.7 | 0 | 113 | S337 S338 K343 N345 | S337-K341 PolarHBondContact O-N 3.36Å; S337-K341 VanDerWaalsContact O-N 3.14Å; S338-K341 PolarHBondContact O-N 3.29Å; K341-K343 VanDerWaalsContact C-N 3.33Å; K341-N345 PolarHBondContact O-N 2.86Å; K341-N345 VanDerWaalsContact O-N 3.15Å |
| 342 | I | 47.8 | Very low | 50 | Low | 69 Ų | 69 | 114.7 Ų | 114.7 | 35% | 0.354 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -42.3 | 172.8 | -66.5 | 165.5 | 0 | 0 | 0 | 110.5 | S338 R340 E344 T346 | S338-I342 WeakPolarHBondContact O-CG1 3.38Å; S338-I342 PolarHBondContact O-N 3.01Å; R340-I342 PolarHBondContact O-N 2.92Å; I342-E344 PolarHBondContact O-N 3.12Å; I342-T346 WeakPolarHBondContact O-CB 3.26Å; I342-T346 PolarHBondContact O-N 3.32Å; I342-T346 PolarHBondContact O-OG1 2.85Å |
| 343 | K | 55.5 | Low | 49.7 | Very low | 166 Ų | 166 | 110.6 Ų | 110.6 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.8 | -35.5 | -176.5 | -153.5 | 171.8 | -171.1 | 176.8 | 0 | 112.9 | A339 R340 K341 A347 | A339-K343 PolarHBondContact O-N 3.2Å; R340-K343 PolarHBondContact O-N 2.95Å; R340-K343 VanDerWaalsContact O-N 3.13Å; K341-K343 VanDerWaalsContact C-N 3.33Å; K343-A347 PolarHBondContact O-N 3.49Å |
| 344 | E | 55.1 | Low | 49.5 | Very low | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.2 | -51.2 | 174.7 | -165.6 | 164.1 | -146.9 | 0 | 0 | 111.3 | R340 I342 T346 A347 D348 | R340-E344 PolarHBondContact O-N 3.49Å; R340-E344 VanDerWaalsContact O-N 3.07Å; I342-E344 PolarHBondContact O-N 3.12Å; E344-T346 VanDerWaalsContact C-N 3.28Å; E344-T346 PolarHBondContact O-N 3.39Å; E344-A347 PolarHBondContact O-N 3.33Å; E344-A347 VanDerWaalsContact O-N 3.08Å; E344-D348 PolarHBondContact O-N 3.23Å; E344-D348 VanDerWaalsContact O-N 3.13Å |
| 345 | N | 49.8 | Very low | 49.5 | Very low | 110 Ų | 110 | 108.4 Ų | 108.4 | 59% | 0.588 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.1 | -38.9 | 175.4 | -74.9 | -1.7 | 0 | 0 | 0 | 112.8 | K341 A347 F349 | K341-N345 PolarHBondContact O-N 2.86Å; K341-N345 VanDerWaalsContact O-N 3.15Å; N345-A347 VanDerWaalsContact C-N 3.33Å; N345-A347 PolarHBondContact O-N 3.11Å; N345-F349 WeakPolarHBondContact O-CB 3.39Å; N345-F349 PolarHBondContact O-N 2.85Å |
| 346 | T | 50.1 | Low | 49.1 | Very low | 72 Ų | 72 | 107.2 Ų | 107.2 | 44% | 0.442 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 179 | -46.4 | 0 | 0 | 0 | 0 | 111.8 | I342 E344 H350 | I342-T346 WeakPolarHBondContact O-CB 3.26Å; I342-T346 PolarHBondContact O-N 3.32Å; I342-T346 PolarHBondContact O-OG1 2.85Å; E344-T346 VanDerWaalsContact C-N 3.28Å; E344-T346 PolarHBondContact O-N 3.39Å; T346-H350 PolarHBondContact O-N 3.27Å |
| 347 | A | 48.3 | Very low | 49 | Very low | 58 Ų | 58 | 105.9 Ų | 105.9 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.2 | -43.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | K343 E344 N345 H350 K351 | K343-A347 PolarHBondContact O-N 3.49Å; E344-A347 PolarHBondContact O-N 3.33Å; E344-A347 VanDerWaalsContact O-N 3.08Å; N345-A347 VanDerWaalsContact C-N 3.33Å; N345-A347 PolarHBondContact O-N 3.11Å; A347-H350 PolarHBondContact O-N 3.1Å; A347-K351 WeakPolarHBondContact O-CB 3.32Å; A347-K351 PolarHBondContact O-N 3.15Å |
| 348 | D | 52.3 | Low | 48.6 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | 176 | -80.2 | -22.8 | 0 | 0 | 0 | 112.1 | E344 K351 S352 | E344-D348 PolarHBondContact O-N 3.23Å; E344-D348 VanDerWaalsContact O-N 3.13Å; D348-K351 PolarHBondContact O-N 2.88Å; D348-S352 WeakPolarHBondContact O-CB 3.46Å; D348-S352 PolarHBondContact O-N 3.43Å |
| 349 | F | 46.5 | Very low | 48.5 | Very low | 141 Ų | 141 | 109.5 Ų | 109.5 | 62% | 0.618 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 173.7 | -166.3 | -109.8 | 0 | 0 | 0 | 111.9 | N345 K351 S352 I353 | N345-F349 WeakPolarHBondContact O-CB 3.39Å; N345-F349 PolarHBondContact O-N 2.85Å; F349-K351 VanDerWaalsContact C-N 3.31Å; F349-K351 PolarHBondContact O-N 3.08Å; F349-S352 PolarHBondContact O-N 3.49Å; F349-I353 HydrophobicContact CD1-CD1 3.7Å; F349-I353 HydrophobicContact CE1-CD1 3.35Å; F349-I353 HydrophobicContact CE1-CG1 4.44Å; F349-I353 HydrophobicContact CG-CD1 4.42Å; F349-I353 HydrophobicContact CZ-CD1 3.81Å; F349-I353 WeakPolarHBondContact O-CG1 3.32Å; F349-I353 PolarHBondContact O-N 3.49Å |
| 350 | H | 44.4 | Very low | 48.9 | Very low | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.537 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 174.5 | -112.8 | -80.8 | 0 | 0 | 0 | 112.6 | T346 A347 H354 | T346-H350 PolarHBondContact O-N 3.27Å; A347-H350 PolarHBondContact O-N 3.1Å; H350-H354 PolarHBondContact O-CD2 2.83Å; H350-H354 PolarHBondContact O-N 3.1Å |
| 351 | K | 55.5 | Low | 48.6 | Very low | 155 Ų | 155 | 105.8 Ų | 105.8 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.1 | -32.5 | 179.5 | -163.2 | 175.3 | -174.9 | -179.5 | 0 | 112.4 | A347 D348 F349 K355 | A347-K351 WeakPolarHBondContact O-CB 3.32Å; A347-K351 PolarHBondContact O-N 3.15Å; D348-K351 PolarHBondContact O-N 2.88Å; F349-K351 VanDerWaalsContact C-N 3.31Å; F349-K351 PolarHBondContact O-N 3.08Å; K351-K355 WeakPolarHBondContact O-CB 3.35Å; K351-K355 PolarHBondContact O-N 3.07Å |
| 352 | S | 49.1 | Very low | 48.4 | Very low | 66 Ų | 66 | 104.2 Ų | 104.2 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 173.4 | -161.3 | 0 | 0 | 0 | 0 | 111.5 | D348 F349 K355 M356 | D348-S352 WeakPolarHBondContact O-CB 3.46Å; D348-S352 PolarHBondContact O-N 3.43Å; F349-S352 PolarHBondContact O-N 3.49Å; S352-K355 PolarHBondContact O-N 3.04Å; S352-M356 PolarHBondContact O-N 2.63Å |
| 353 | I | 39 | Very low | 48.9 | Very low | 75 Ų | 75 | 105.8 Ų | 105.8 | 39% | 0.385 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -51.7 | 176.4 | -72.8 | 175.1 | 0 | 0 | 0 | 111.1 | F349 K355 M356 T357 | F349-I353 HydrophobicContact CD1-CD1 3.7Å; F349-I353 HydrophobicContact CE1-CD1 3.35Å; F349-I353 HydrophobicContact CE1-CG1 4.44Å; F349-I353 HydrophobicContact CG-CD1 4.42Å; F349-I353 HydrophobicContact CZ-CD1 3.81Å; F349-I353 WeakPolarHBondContact O-CG1 3.32Å; F349-I353 PolarHBondContact O-N 3.49Å; I353-K355 PolarHBondContact O-N 2.97Å; I353-M356 PolarHBondContact O-N 3.31Å; I353-T357 PolarHBondContact O-N 3.43Å; I353-T357 PolarHBondContact O-OG1 3.26Å; I353-T357 VanDerWaalsContact O-OG1 3.09Å |
| 354 | H | 44.2 | Very low | 49.2 | Very low | 94 Ų | 94 | 103.1 Ų | 103.1 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.7 | -35.6 | 177.2 | -92.9 | -83.6 | 0 | 0 | 0 | 112.7 | H350 E358 | H350-H354 PolarHBondContact O-CD2 2.83Å; H350-H354 PolarHBondContact O-N 3.1Å; H354-E358 IonicContact CE1-OE1 2.68Å; H354-E358 IonicContact CG-OE1 3.44Å; H354-E358 IonicContact ND1-OE1 3.27Å; H354-E358 PolarHBondContact ND1-OE1 3.39Å; H354-E358 WeakPolarHBondContact O-CB 3.35Å; H354-E358 WeakPolarHBondContact O-CG 3.3Å; H354-E358 PolarHBondContact O-N 2.87Å |
| 355 | K | 45 | Very low | 49 | Very low | 172 Ų | 172 | 101.2 Ų | 101.2 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.8 | -28.3 | 179.2 | -157.2 | 176 | -174.5 | -174 | 0 | 113.5 | K351 S352 I353 S359 | K351-K355 WeakPolarHBondContact O-CB 3.35Å; K351-K355 PolarHBondContact O-N 3.07Å; S352-K355 PolarHBondContact O-N 3.04Å; I353-K355 PolarHBondContact O-N 2.97Å; K355-S359 PolarHBondContact O-OG 2.87Å |
| 356 | M | 38.9 | Very low | 49.7 | Very low | 135 Ų | 135 | 99.5 Ų | 99.5 | 67% | 0.665 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.2 | -46.7 | 173.2 | -85.4 | -177.4 | 157.9 | 0 | 0 | 112.3 | S352 I353 S360 | S352-M356 PolarHBondContact O-N 2.63Å; I353-M356 PolarHBondContact O-N 3.31Å; M356-S360 PolarHBondContact O-OG 2.95Å |
| 357 | T | 44.5 | Very low | 49.9 | Very low | 74 Ų | 74 | 100.4 Ų | 100.4 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.2 | -29.2 | -171.5 | -45.7 | 0 | 0 | 0 | 0 | 114.1 | I353 | I353-T357 PolarHBondContact O-N 3.43Å; I353-T357 PolarHBondContact O-OG1 3.26Å; I353-T357 VanDerWaalsContact O-OG1 3.09Å |
| 358 | E | 46.6 | Very low | 50 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -83 | -11.7 | -174.5 | -70.6 | 177.1 | -169.4 | 0 | 0 | 114.7 | H354 | H354-E358 IonicContact CE1-OE1 2.68Å; H354-E358 IonicContact CG-OE1 3.44Å; H354-E358 IonicContact ND1-OE1 3.27Å; H354-E358 PolarHBondContact ND1-OE1 3.39Å; H354-E358 WeakPolarHBondContact O-CB 3.35Å; H354-E358 WeakPolarHBondContact O-CG 3.3Å; H354-E358 PolarHBondContact O-N 2.87Å |
| 359 | S | 47.7 | Very low | 50.2 | Low | 66 Ų | 66 | 103.7 Ų | 103.7 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -107.1 | -46.1 | -179.5 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | K355 D363 | K355-S359 PolarHBondContact O-OG 2.87Å; S359-D363 WeakPolarHBondContact O-CB 3.49Å; S359-D363 PolarHBondContact O-N 3.25Å |
| 360 | S | 52.8 | Low | 50.5 | Low | 64 Ų | 64 | 103.7 Ų | 103.7 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.1 | -42.1 | -171.8 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | M356 L364 | M356-S360 PolarHBondContact O-OG 2.95Å; S360-L364 VanDerWaalsContact O-CB 3.3Å; S360-L364 WeakPolarHBondContact O-CB 3.36Å; S360-L364 PolarHBondContact O-N 3.43Å |
| 361 | D | 48.2 | Very low | 50.8 | Low | 87 Ų | 87 | 108.3 Ų | 108.3 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -79.6 | -30.8 | -170.5 | -65.1 | -10.3 | 0 | 0 | 0 | 112 | L365 | D361-L365 WeakPolarHBondContact O-CB 3.47Å; D361-L365 PolarHBondContact O-N 2.78Å |
| 362 | L | 56.1 | Low | 50.1 | Low | 113 Ų | 113 | 105.5 Ų | 105.5 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.9 | -45.6 | 172.7 | -102.9 | 150.8 | 0 | 0 | 0 | 111.3 | L364 L365 V366 | L362-L364 VanDerWaalsContact C-N 3.29Å; L362-L364 PolarHBondContact O-N 3.05Å; L362-L365 PolarHBondContact O-N 3.42Å; L362-V366 WeakPolarHBondContact O-CG2 3.48Å; L362-V366 PolarHBondContact O-N 3.08Å |
| 363 | D | 57.8 | Low | 49.5 | Very low | 102 Ų | 102 | 109.7 Ų | 109.7 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -35 | 173.8 | -80.2 | -13.4 | 0 | 0 | 0 | 111.7 | S359 N367 | S359-D363 WeakPolarHBondContact O-CB 3.49Å; S359-D363 PolarHBondContact O-N 3.25Å; D363-N367 VanDerWaalsContact O-CB 3.28Å; D363-N367 WeakPolarHBondContact O-CB 3.33Å; D363-N367 PolarHBondContact O-N 3.31Å; D363-N367 PolarHBondContact O-ND2 3.27Å |
| 364 | L | 60.5 | Low | 49.5 | Very low | 109 Ų | 109 | 113.9 Ų | 113.9 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.5 | -42.5 | 174.6 | -169.2 | 69.4 | 0 | 0 | 0 | 111.6 | S360 L362 N367 M368 | S360-L364 VanDerWaalsContact O-CB 3.3Å; S360-L364 WeakPolarHBondContact O-CB 3.36Å; S360-L364 PolarHBondContact O-N 3.43Å; L362-L364 VanDerWaalsContact C-N 3.29Å; L362-L364 PolarHBondContact O-N 3.05Å; L364-N367 PolarHBondContact O-N 2.93Å; L364-M368 WeakPolarHBondContact O-CB 3.34Å; L364-M368 WeakPolarHBondContact O-CG 3.47Å; L364-M368 PolarHBondContact O-N 3.3Å |
| 365 | L | 51.8 | Low | 49.3 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.4 | -43.1 | 175.1 | -89.5 | 161.4 | 0 | 0 | 0 | 112.6 | D361 L362 M368 L369 | D361-L365 WeakPolarHBondContact O-CB 3.47Å; D361-L365 PolarHBondContact O-N 2.78Å; L362-L365 PolarHBondContact O-N 3.42Å; L365-M368 HydrophobicContact CD2-CE 3.92Å; L365-M368 HydrophobicContact CG-CE 4.35Å; L365-M368 PolarHBondContact O-N 2.86Å; L365-L369 WeakPolarHBondContact O-CG 3.33Å; L365-L369 PolarHBondContact O-N 2.95Å |
| 366 | V | 64.1 | Low | 48.8 | Very low | 73 Ų | 73 | 114.7 Ų | 114.7 | 44% | 0.442 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.2 | -46.1 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L362 M368 L369 D370 | L362-V366 WeakPolarHBondContact O-CG2 3.48Å; L362-V366 PolarHBondContact O-N 3.08Å; V366-M368 VanDerWaalsContact C-N 3.28Å; V366-M368 PolarHBondContact O-N 3.25Å; V366-L369 PolarHBondContact O-N 2.92Å; V366-L369 VanDerWaalsContact O-N 3.15Å; V366-D370 PolarHBondContact O-N 2.92Å |
| 367 | N | 55.2 | Low | 48.8 | Very low | 92 Ų | 92 | 115.3 Ų | 115.3 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.9 | -25.5 | 176.1 | -82.6 | -76.1 | 0 | 0 | 0 | 113.9 | D363 L364 R371 | D363-N367 VanDerWaalsContact O-CB 3.28Å; D363-N367 WeakPolarHBondContact O-CB 3.33Å; D363-N367 PolarHBondContact O-N 3.31Å; D363-N367 PolarHBondContact O-ND2 3.27Å; L364-N367 PolarHBondContact O-N 2.93Å; N367-R371 VanDerWaalsContact O-CD 3.3Å; N367-R371 WeakPolarHBondContact O-CD 3.31Å; N367-R371 VanDerWaalsContact O-CG 3.26Å; N367-R371 WeakPolarHBondContact O-CG 3.43Å |
| 368 | M | 50.1 | Low | 48.6 | Very low | 106 Ų | 106 | 116 Ų | 116 | 52% | 0.522 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76 | -37.7 | 171 | -76 | -165.2 | -53.3 | 0 | 0 | 111.9 | L364 L365 V366 R371 | L364-M368 WeakPolarHBondContact O-CB 3.34Å; L364-M368 WeakPolarHBondContact O-CG 3.47Å; L364-M368 PolarHBondContact O-N 3.3Å; L365-M368 HydrophobicContact CD2-CE 3.92Å; L365-M368 HydrophobicContact CG-CE 4.35Å; L365-M368 PolarHBondContact O-N 2.86Å; V366-M368 VanDerWaalsContact C-N 3.28Å; V366-M368 PolarHBondContact O-N 3.25Å; M368-R371 PolarHBondContact O-N 3.29Å |
| 369 | L | 55.5 | Low | 48.1 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 64% | 0.644 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.8 | -43 | 178.7 | -73 | 165.6 | 0 | 0 | 0 | 112.2 | L365 V366 R371 V372 | L365-L369 WeakPolarHBondContact O-CG 3.33Å; L365-L369 PolarHBondContact O-N 2.95Å; V366-L369 PolarHBondContact O-N 2.92Å; V366-L369 VanDerWaalsContact O-N 3.15Å; L369-R371 PolarHBondContact O-N 3.07Å; L369-R371 VanDerWaalsContact O-N 3.1Å; L369-V372 PolarHBondContact O-N 3.1Å |
| 370 | D | 52.9 | Low | 47.7 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -15.1 | 175.4 | -102.5 | 12.1 | 0 | 0 | 0 | 113.6 | V366 | V366-D370 PolarHBondContact O-N 2.92Š|
| 371 | R | 52.2 | Low | 46.8 | Very low | 212 Ų | 212 | 127.7 Ų | 127.7 | 80% | 0.8 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -5.7 | 176.7 | -75.3 | 177 | 174.6 | -124.8 | -2.6 | 114.1 | N367 M368 L369 E373 | N367-R371 VanDerWaalsContact O-CD 3.3Å; N367-R371 WeakPolarHBondContact O-CD 3.31Å; N367-R371 VanDerWaalsContact O-CG 3.26Å; N367-R371 WeakPolarHBondContact O-CG 3.43Å; M368-R371 PolarHBondContact O-N 3.29Å; L369-R371 PolarHBondContact O-N 3.07Å; L369-R371 VanDerWaalsContact O-N 3.1Å; R371-E373 PolarHBondContact O-N 3.43Å |
| 372 | V | 40.3 | Very low | 46.1 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | trans | -92.8 | 74.5 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | L369 M374 | L369-V372 PolarHBondContact O-N 3.1Å; V372-M374 VanDerWaalsContact C-N 3.35Å; V372-M374 HydrophobicContact CG1-CG 4.23Å; V372-M374 HydrophobicContact CG1-SD 4.31Å; V372-M374 PolarHBondContact O-N 2.92Å | ||
| 373 | E | 37 | Very low | 45.2 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | trans | -68 | 93.8 | 169.8 | -170.4 | -177.6 | -141.2 | 0 | 0 | 109.1 | R371 K375 | R371-E373 PolarHBondContact O-N 3.43Å; E373-K375 VanDerWaalsContact C-N 3.33Å; E373-K375 HydrophobicContact CG-CG 4.46Å; E373-K375 PolarHBondContact O-N 2.91Å | ||
| 374 | M | 37.9 | Very low | 43.9 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 80% | 0.798 | 67% | 0.668 | S | S | * | * | trans | -67.6 | 89.8 | 172 | -71.2 | -74.6 | -76.8 | 0 | 0 | 109.4 | V372 D376 | V372-M374 VanDerWaalsContact C-N 3.35Å; V372-M374 HydrophobicContact CG1-CG 4.23Å; V372-M374 HydrophobicContact CG1-SD 4.31Å; V372-M374 PolarHBondContact O-N 2.92Å; M374-D376 VanDerWaalsContact C-N 3.3Å; M374-D376 PolarHBondContact O-N 3.33Å | ||
| 375 | K | 39.7 | Very low | 42.6 | Very low | 148 Ų | 148 | 133 Ų | 133 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | trans | -71 | 87.6 | 167.5 | -76.9 | -164.8 | 173.6 | -170.5 | 0 | 110.6 | E373 D377 | E373-K375 VanDerWaalsContact C-N 3.33Å; E373-K375 HydrophobicContact CG-CG 4.46Å; E373-K375 PolarHBondContact O-N 2.91Å; K375-D377 PolarHBondContact O-N 3.28Å | ||
| 376 | D | 35.7 | Very low | 41.7 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | -85.3 | 82.5 | 169.1 | -156.2 | -3.7 | 0 | 0 | 0 | 109.4 | M374 S378 | M374-D376 VanDerWaalsContact C-N 3.3Å; M374-D376 PolarHBondContact O-N 3.33Å; D376-S378 PolarHBondContact O-N 3.15Å | ||
| 377 | D | 39.1 | Very low | 40.1 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | -73 | 40.2 | -177.1 | -83.4 | -34.5 | 0 | 0 | 0 | 113.2 | K375 | K375-D377 PolarHBondContact O-N 3.28Š| ||
| 378 | S | 38.4 | Very low | 38.7 | Very low | 88 Ų | 88 | 141.9 Ų | 141.9 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | -160.7 | 92.7 | 163.4 | 60.7 | 0 | 0 | 0 | 0 | 115.5 | D376 | D376-S378 PolarHBondContact O-N 3.15Š| ||
| 379 | M | 37.1 | Very low | 37.8 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | -168.3 | 132.7 | 129.6 | -102.8 | -77.2 | 90.1 | 0 | 0 | 111.5 | |||||
| 380 | Q | 38.4 | Very low | 36.6 | Very low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | trans | -89.5 | 160.4 | 172.4 | -60.7 | 177.5 | 0.1 | 0 | 0 | 110 | ||||
| 381 | Q | 33.9 | Very low | 35.5 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 66.8 | 117.2 | 160 | -70.5 | 175.8 | 3.8 | 0 | 0 | 115.6 | ||||
| 382 | N | 34.8 | Very low | 34.4 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -166.8 | 164.8 | 43 | -87.2 | -38.3 | 0 | 0 | 0 | 113 | ||||
| 383 | D | 36.2 | Very low | 34 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 60% | 0.599 | 75% | 0.753 | S | S | * | * | trans | 21.2 | 112.6 | 149.2 | -67.1 | -52.5 | 0 | 0 | 0 | 119.9 | ||||
| 384 | K | 31.6 | Very low | 33.7 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | 78.6 | 147.2 | 85.2 | -77.1 | -176.7 | -163.1 | 121 | 0 | 116.1 | |||||
| 385 | S | 31.9 | Very low | 33.3 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 71 | 124.6 | 176.4 | 68 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 386 | I | 34.1 | Very low | 33 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | cis | 67.2 | 138.7 | 46.4 | -51.4 | 169.8 | 0 | 0 | 0 | 110.8 | ||||
| 387 | I | 29.8 | Very low | 32.4 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 93.7 | 82.2 | -178.2 | -47.7 | 158.7 | 0 | 0 | 0 | 114.6 | ||||
| 388 | V | 26.6 | Very low | 32.2 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -141.7 | 60.6 | 138.6 | -168 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 389 | T | 30.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -156.5 | 139.2 | 161.3 | -29.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 390 | Q | 30.2 | Very low | 31.4 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 63 | 109.6 | 177 | -55.3 | 176.7 | 4.5 | 0 | 0 | 116 | ||||
| 391 | I | 30 | Very low | 30.9 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | -168.9 | 101 | 108.4 | -85.4 | 148.3 | 0 | 0 | 0 | 107.6 | |||||
| 392 | V | 28.8 | Very low | 30.8 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -128 | 135.1 | 152.1 | 175.6 | 0 | 0 | 0 | 0 | 104 | ||||
| 393 | Q | 31.9 | Very low | 30.7 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 70.6 | 124.1 | -163.8 | -46 | -178.8 | -4.9 | 0 | 0 | 112.3 | ||||
| 394 | K | 31.5 | Very low | 30.2 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | cis | -160 | 161.7 | 48.5 | -116.5 | 154.3 | -172.5 | 175.5 | 0 | 111.8 | ||||
| 395 | C | 29.4 | Very low | 30.3 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 167.6 | 168.4 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 396 | D | 32.5 | Very low | 30.1 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 79.1 | 125.7 | 155.2 | -50.1 | -38.7 | 0 | 0 | 0 | 119.4 | ||||
| 397 | L | 25 | Very low | 30 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 153.8 | 174.1 | -66.6 | 78.5 | 0 | 0 | 0 | 110.7 | ||||
| 398 | P | 33.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | -145 | 166.3 | 102.7 | 34.6 | -18.2 | 0 | 0 | 0 | 115.9 | |||||
| 399 | I | 27.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | -92.3 | 126.6 | -178.5 | -58.3 | 158.2 | 0 | 0 | 0 | 110.2 | ||||
| 400 | H | 32.4 | Very low | 30.3 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | -178.5 | 160 | 120.2 | -121.5 | -77.6 | 0 | 0 | 0 | 114.6 | |||||
| 401 | E | 26.9 | Very low | 30.5 | Very low | 145 Ų | 145 | 152 Ų | 152 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -74.6 | 155.9 | -177 | -52.7 | 154.1 | 110.1 | 0 | 0 | 115.1 | ||||
| 402 | H | 32.4 | Very low | 30.4 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 172.2 | 103.6 | 131.1 | -86 | -50.2 | 0 | 0 | 0 | 108.9 | ||||
| 403 | K | 32.3 | Very low | 30.5 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | 75.1 | 107.7 | 88.3 | -159.5 | 175.7 | -171.9 | 179.1 | 0 | 115.3 | |||||
| 404 | T | 27.2 | Very low | 30.3 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -71.8 | 158.5 | -179.4 | -21.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 405 | P | 32.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -121.1 | 140.2 | 146.9 | 35.2 | -24.1 | 0 | 0 | 0 | 113.2 | ||||
| 406 | E | 27 | Very low | 30.4 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -102.5 | 141.2 | 176.6 | 179.7 | -177.6 | -144.3 | 0 | 0 | 109.4 | ||||
| 407 | I | 32.5 | Very low | 30.1 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -132.8 | 140.7 | 174.8 | -63.2 | -177 | 0 | 0 | 0 | 110.2 | ||||
| 408 | Q | 34 | Very low | 30.2 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -103.7 | 150 | -159.9 | -57.6 | 172.4 | -14.9 | 0 | 0 | 114.8 | ||||
| 409 | S | 25.8 | Very low | 30 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 52.9 | 121.9 | 135 | 166.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 410 | S | 34.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -156.6 | 102.3 | 132.1 | -78.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 411 | K | 33.6 | Very low | 30 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | 84.7 | 132.1 | 97.5 | -95.2 | -177.4 | 176.9 | 176.7 | 0 | 116.1 | |||||
| 412 | S | 27.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -99.3 | 158.1 | -166.2 | 53.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 413 | V | 31.2 | Very low | 30.3 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -143 | 126.2 | 148.8 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 414 | T | 28.6 | Very low | 30.3 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -139.2 | 145 | 161.6 | 43.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 415 | P | 35.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -110.2 | 140.1 | 160.4 | 34.1 | -25.1 | 0 | 0 | 0 | 111.6 | ||||
| 416 | S | 27.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -85.3 | 154.2 | -175.2 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 417 | L | 26.6 | Very low | 30.8 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -137.4 | 125.9 | 147.8 | -162.1 | 75 | 0 | 0 | 0 | 109.3 | F419 | L417-F419 HydrophobicContact CD2-CE2 4.46Š| ||
| 418 | T | 25.4 | Very low | 30.8 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 68% | 0.681 | 81% | 0.807 | S | S | * | * | trans | -132.7 | 138.7 | -177 | -43.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 419 | F | 28.8 | Very low | 30.7 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -121 | 130.5 | 164.3 | -83.2 | -83 | 0 | 0 | 0 | 108.4 | L417 | L417-F419 HydrophobicContact CD2-CE2 4.46Š| ||
| 420 | D | 29.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 150 Ų | 150 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -135.2 | 128 | -174.2 | -162.5 | 3.7 | 0 | 0 | 0 | 107.8 | ||||
| 421 | I | 31.9 | Very low | 31.2 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | -129.7 | 123.6 | 176.5 | -62.1 | -177.4 | 0 | 0 | 0 | 108.1 | ||||
| 422 | T | 32.3 | Very low | 31.2 | Very low | 109 Ų | 109 | 149 Ų | 149 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | -99.3 | 149.1 | -157.9 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 423 | K | 31.7 | Very low | 31.5 | Very low | 203 Ų | 203 | 151.7 Ų | 151.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | 55 | 118 | 145.7 | -75.2 | 178.1 | 171.2 | 175.2 | 0 | 120.1 | ||||
| 424 | S | 33.7 | Very low | 31.5 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | -150.6 | 114.8 | 120.1 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 425 | E | 30.3 | Very low | 31.6 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -120.7 | 124.7 | 175 | 178 | -174.3 | -153.2 | 0 | 0 | 107.8 | ||||
| 426 | K | 35.9 | Very low | 31.4 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -166.7 | 110.5 | 163.6 | -115.5 | 171 | -173.2 | -178.1 | 0 | 113.6 | ||||
| 427 | M | 30.4 | Very low | 31.7 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 43.1 | 115 | 136.9 | -56.7 | 176.6 | 70.2 | 0 | 0 | 119.7 | ||||
| 428 | L | 33.8 | Very low | 31.8 | Very low | 162 Ų | 162 | 156 Ų | 156 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | -159.3 | 136.7 | 103.8 | -130.6 | 79.7 | 0 | 0 | 0 | 111.8 | |||||
| 429 | N | 31.8 | Very low | 31.8 | Very low | 145 Ų | 145 | 157.5 Ų | 157.5 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -88.4 | 157.9 | 171.7 | -72.2 | -25.2 | 0 | 0 | 0 | 111.2 | ||||
| 430 | N | 34.4 | Very low | 32 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 155.2 | 90.9 | 142.9 | -77.9 | -13.2 | 0 | 0 | 0 | 108.2 | ||||
| 431 | E | 35.8 | Very low | 32.1 | Very low | 152 Ų | 152 | 153.2 Ų | 153.2 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | 72 | 129.3 | 78.1 | -139.8 | -146.5 | 173.6 | 0 | 0 | 115.8 | |||||
| 432 | K | 33.3 | Very low | 31.9 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | trans | 72.2 | 108.2 | 161.6 | -74.4 | 174.1 | 179.3 | 111.5 | 0 | 121.5 | ||||
| 433 | L | 33 | Very low | 31.7 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | 157.6 | 88.8 | 118.7 | -85.4 | 156.4 | 0 | 0 | 0 | 109 | |||||
| 434 | V | 31.5 | Very low | 31.4 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | 65 | 93.5 | 83.5 | -176.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 435 | S | 30.4 | Very low | 31.2 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -152.6 | 136.2 | 131.5 | 50.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 436 | K | 31.2 | Very low | 31.1 | Very low | 206 Ų | 206 | 144.8 Ų | 144.8 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -114.7 | 178.9 | -169.8 | -120.1 | -156.4 | 167.2 | 177.6 | 0 | 110 | ||||
| 437 | P | 34.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -107.2 | -177.6 | -141 | 41.8 | -30.1 | 0 | 0 | 0 | 113.4 | ||||
| 438 | Q | 28.1 | Very low | 30.9 | Very low | 196 Ų | 196 | 146 Ų | 146 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -130.3 | 149.8 | 165.2 | -153.2 | 165.5 | -0.7 | 0 | 0 | 111.1 | ||||
| 439 | I | 26 | Very low | 30.6 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -128.6 | 131.3 | -165.7 | -53.8 | 161.4 | 0 | 0 | 0 | 108.6 | ||||
| 440 | S | 33 | Very low | 30.5 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -160.8 | 101.6 | 163.9 | 47.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 441 | N | 32.2 | Very low | 30.2 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | 79.6 | 112.3 | 80.5 | -78 | -9.9 | 0 | 0 | 0 | 113.8 | |||||
| 442 | L | 27.4 | Very low | 29.9 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | 51.2 | 126.4 | 136.2 | -52.4 | 164.1 | 0 | 0 | 0 | 116.9 | ||||
| 443 | T | 28.1 | Very low | 29.6 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | -171.8 | 157.2 | 59.2 | -50.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 444 | S | 25.9 | Very low | 29.4 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -66 | 140.1 | 177.2 | 51.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 445 | T | 27.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -165.6 | 154.5 | 133.3 | 19.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 446 | P | 28.1 | Very low | 29.2 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 140.6 | -171.5 | 34.7 | -33.7 | 0 | 0 | 0 | 112.9 | ||
| 447 | F | 30.2 | Very low | 29.3 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 123.3 | 172.8 | -82.1 | -79.1 | 0 | 0 | 0 | 112 | ||
| 448 | H | 31.6 | Very low | 28.9 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138.7 | -175.9 | -83.9 | -121.4 | 0 | 0 | 0 | 113.2 | N450 | H448-N450 PolarHBondContact O-N 2.97Å; H448-N450 VanDerWaalsContact O-N 3.15Å |
| 449 | L | 28.9 | Very low | 29 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -59.1 | 110.9 | 154.6 | -95.9 | 151 | 0 | 0 | 0 | 109.2 | K451 | L449-K451 PolarHBondContact O-N 2.9Å; L449-K451 VanDerWaalsContact O-N 3.14Å | ||
| 450 | N | 30.4 | Very low | 29 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -76.7 | 101.4 | -179.8 | -146.1 | 1.8 | 0 | 0 | 0 | 109.4 | H448 S452 | H448-N450 PolarHBondContact O-N 2.97Å; H448-N450 VanDerWaalsContact O-N 3.15Å; N450-S452 PolarHBondContact O-N 3.46Å | ||
| 451 | K | 28.2 | Very low | 28.9 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -72 | 90.8 | 176 | -83.9 | -176.9 | 171.5 | 179.3 | 0 | 110.7 | L449 M453 | L449-K451 PolarHBondContact O-N 2.9Å; L449-K451 VanDerWaalsContact O-N 3.14Å; K451-M453 VanDerWaalsContact C-N 3.31Å; K451-M453 PolarHBondContact O-N 2.84Å | ||
| 452 | S | 29.2 | Very low | 28.6 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -89.7 | 67.3 | 159.4 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | N450 C454 | N450-S452 PolarHBondContact O-N 3.46Å; S452-C454 VanDerWaalsContact C-N 3.32Å; S452-C454 PolarHBondContact O-N 2.9Å; S452-C454 VanDerWaalsContact O-N 3.1Å | ||
| 453 | M | 25.8 | Very low | 28.6 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 85.1 | 169.5 | -171.9 | 157.4 | 69.1 | 0 | 0 | 108.5 | K451 I455 | K451-M453 VanDerWaalsContact C-N 3.31Å; K451-M453 PolarHBondContact O-N 2.84Å; M453-I455 PolarHBondContact O-N 3.26Å | ||
| 454 | C | 28.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -78.1 | 114 | 176.2 | -146.4 | 0 | 0 | 0 | 0 | 108.9 | S452 P456 | S452-C454 VanDerWaalsContact C-N 3.32Å; S452-C454 PolarHBondContact O-N 2.9Å; S452-C454 VanDerWaalsContact O-N 3.1Å; C454-P456 WeakPolarHBondContact O-CD 3.34Å | ||
| 455 | I | 25.5 | Very low | 29.1 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 67% | 0.667 | 82% | 0.82 | S | S | * | * | trans | -85.4 | 129.8 | 174.8 | -61.7 | 164.9 | 0 | 0 | 0 | 108.2 | M453 E457 | M453-I455 PolarHBondContact O-N 3.26Å; I455-E457 HydrophobicContact CG2-CG 4.09Å | ||
| 456 | P | 32.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -102.1 | 113 | 153.6 | 5 | 16 | 0 | 0 | 0 | 108.7 | C454 | C454-P456 WeakPolarHBondContact O-CD 3.34Š| ||
| 457 | E | 32.5 | Very low | 29.4 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -73.2 | 130.6 | 169 | -72.7 | -176.4 | 123.6 | 0 | 0 | 110.3 | I455 | I455-E457 HydrophobicContact CG2-CG 4.09Š| ||
| 458 | G | 26.5 | Very low | 29.3 | Very low | 66 Ų | 66 | 146.7 Ų | 146.7 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | 69.8 | 117.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 459 | I | 29.8 | Very low | 29.4 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | -161 | 136.9 | 109.5 | -94.9 | 149 | 0 | 0 | 0 | 108.6 | |||||
| 460 | Q | 27 | Very low | 29.4 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -78.4 | 131.7 | 173.5 | -61.9 | 165.1 | -10.6 | 0 | 0 | 109.7 | ||||
| 461 | Q | 31.1 | Very low | 29.4 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -169.4 | 116.6 | 133.7 | -108 | 161.9 | 31.9 | 0 | 0 | 111.7 | ||||
| 462 | T | 25 | Very low | 29.6 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -78.8 | 135.5 | 166.7 | 46.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 463 | N | 28.3 | Very low | 29.6 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -179.2 | 107.1 | 141.9 | -91.3 | -14.6 | 0 | 0 | 0 | 109.2 | ||||
| 464 | A | 32.4 | Very low | 29.7 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -133.9 | 138 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 465 | L | 31.8 | Very low | 29.8 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -123 | 141.3 | -167.2 | -147.2 | 150.5 | 0 | 0 | 0 | 109.6 | ||||
| 466 | D | 28.3 | Very low | 29.9 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -55.7 | 143.7 | -167.8 | -78 | -58.7 | 0 | 0 | 0 | 116.6 | ||||
| 467 | V | 33.2 | Very low | 29.8 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -139.9 | 112.5 | 146.1 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | Y469 | V467-Y469 HydrophobicContact CG1-CD2 4.37Å; V467-Y469 HydrophobicContact CG1-CE2 4.47Å | ||
| 468 | P | 28.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -89.3 | 139.8 | 178.2 | 33.6 | -32.4 | 0 | 0 | 0 | 111.9 | ||||
| 469 | Y | 32.9 | Very low | 29.7 | Very low | 212 Ų | 212 | 155.9 Ų | 155.9 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -126.5 | 124.2 | 167.8 | -104.9 | -86.7 | 0 | 0 | 0 | 112.1 | V467 | V467-Y469 HydrophobicContact CG1-CD2 4.37Å; V467-Y469 HydrophobicContact CG1-CE2 4.47Å | ||
| 470 | N | 29.5 | Very low | 29.8 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -67.8 | 139.5 | 178.4 | -64.7 | -60.5 | 0 | 0 | 0 | 111.6 | ||||
| 471 | T | 30.7 | Very low | 30 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -124.6 | 125.9 | 161.6 | -48.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 472 | P | 32 | Very low | 30 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -79.5 | 134.8 | -172.5 | 30.3 | -34.4 | 0 | 0 | 0 | 112.6 | Y474 | P472-Y474 PolarHBondContact O-N 3.22Š| ||
| 473 | E | 28.2 | Very low | 30.4 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 127.5 | 166.2 | -68.6 | -175.9 | 129.1 | 0 | 0 | 110.6 | ||||
| 474 | Y | 29 | Very low | 30.5 | Very low | 213 Ų | 213 | 149.4 Ų | 149.4 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -100 | 98.6 | 166.6 | -103.7 | -87.9 | 0 | 0 | 0 | 110.2 | P472 V476 | P472-Y474 PolarHBondContact O-N 3.22Å; Y474-V476 PolarHBondContact O-N 2.87Å; Y474-V476 VanDerWaalsContact O-N 3.09Å | ||
| 475 | T | 30.7 | Very low | 30.3 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | trans | -66.1 | 104.4 | 171.6 | -50 | 0 | 0 | 0 | 0 | 110 | N477 | T475-N477 PolarHBondContact O-N 3.47Š| ||
| 476 | V | 27.1 | Very low | 30.1 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 94.9 | 174.6 | 179 | 0 | 0 | 0 | 0 | 109.2 | Y474 | Y474-V476 PolarHBondContact O-N 2.87Å; Y474-V476 VanDerWaalsContact O-N 3.09Å | ||
| 477 | N | 30.6 | Very low | 30.1 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -91.3 | 132.6 | 173.1 | -141.7 | -6.7 | 0 | 0 | 0 | 110.6 | T475 | T475-N477 PolarHBondContact O-N 3.47Š| ||
| 478 | R | 27.7 | Very low | 30 | Very low | 214 Ų | 214 | 152.3 Ų | 152.3 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -88.6 | 159.6 | -171.7 | -109.1 | 179.3 | 178.5 | 161.6 | -1.8 | 111.6 | ||||
| 479 | N | 29.5 | Very low | 30.1 | Very low | 145 Ų | 145 | 155.9 Ų | 155.9 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 80.5 | 93.6 | 163 | -45.3 | -28.5 | 0 | 0 | 0 | 117.8 | ||||
| 480 | T | 32.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 96% | 0.957 | 81% | 0.806 | S | S | * | * | -146.1 | 155.2 | 124.9 | -16.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 481 | D | 30.8 | Very low | 30.2 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -95 | 162.2 | -159 | -110.5 | -37.3 | 0 | 0 | 0 | 115.3 | ||||
| 482 | I | 31.2 | Very low | 30.4 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 68% | 0.677 | 79% | 0.788 | S | S | * | * | trans | 50.4 | 108.7 | 144.3 | -58.3 | 159.8 | 0 | 0 | 0 | 117.2 | ||||
| 483 | D | 32.4 | Very low | 30.5 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | -160.9 | 159.9 | 97.1 | -127.7 | -36.3 | 0 | 0 | 0 | 114.6 | |||||
| 484 | T | 30.3 | Very low | 31 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -87.3 | 139.4 | -163.8 | 54.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 485 | T | 27.7 | Very low | 31.7 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -170.2 | 138.8 | 134.8 | 14.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 486 | P | 27.9 | Very low | 32.2 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -88.5 | 116.4 | -174.9 | 32.9 | -32.1 | 0 | 0 | 0 | 112.3 | ||||
| 487 | Y | 29.1 | Very low | 33.3 | Very low | 223 Ų | 223 | 133.9 Ų | 133.9 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | trans | -113.2 | 127.7 | 155 | -105.6 | -90 | 0 | 0 | 0 | 109.5 | K489 | Y487-K489 PolarHBondContact O-N 3.25Å; Y487-K489 VanDerWaalsContact O-N 3.17Å | ||
| 488 | T | 31.3 | Very low | 34.3 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | trans | -65.5 | 109.7 | -174.1 | 41.5 | 0 | 0 | 0 | 0 | 111.7 | D490 | T488-D490 PolarHBondContact O-N 3.01Å; T488-D490 VanDerWaalsContact O-N 3.11Å | ||
| 489 | K | 31.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 125.2 Ų | 125.2 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | -68.8 | 99.9 | 159.6 | -83.4 | -177.6 | 172.7 | 176.3 | 0 | 109 | Y487 T491 | Y487-K489 PolarHBondContact O-N 3.25Å; Y487-K489 VanDerWaalsContact O-N 3.17Å; K489-T491 PolarHBondContact O-N 3.42Å; K489-T491 PolarHBondContact O-OG1 2.96Å; K489-T491 VanDerWaalsContact O-OG1 3.05Å | ||
| 490 | D | 32.7 | Very low | 37.2 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | trans | -63.2 | 90.9 | 157.8 | -106.9 | -8 | 0 | 0 | 0 | 107.8 | T488 G492 | T488-D490 PolarHBondContact O-N 3.01Å; T488-D490 VanDerWaalsContact O-N 3.11Å; D490-G492 PolarHBondContact O-N 3.25Å | ||
| 491 | T | 30.9 | Very low | 38.1 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | trans | -81.9 | 66.3 | -175 | -50.6 | 0 | 0 | 0 | 0 | 108.3 | K489 G493 | K489-T491 PolarHBondContact O-N 3.42Å; K489-T491 PolarHBondContact O-OG1 2.96Å; K489-T491 VanDerWaalsContact O-OG1 3.05Å; T491-G493 PolarHBondContact O-N 3.23Å | ||
| 492 | G | 34.2 | Very low | 39.2 | Very low | 56 Ų | 56 | 117.6 Ų | 117.6 | 58% | 0.577 | 67% | 0.667 | S | S | * | * | trans | -70 | 69.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D490 | D490-G492 PolarHBondContact O-N 3.25Š| ||
| 493 | G | 34 | Very low | 40.7 | Very low | 34 Ų | 34 | 121 Ų | 121 | 35% | 0.351 | 67% | 0.671 | S | S | . | * | trans | -59.5 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T491 S495 G496 F497 | T491-G493 PolarHBondContact O-N 3.23Å; G493-S495 PolarHBondContact O-N 2.92Å; G493-G496 WeakPolarHBondContact O-CA 3.41Å; G493-G496 PolarHBondContact O-N 3Å; G493-F497 PolarHBondContact O-N 3.37Å | ||
| 494 | I | 39.7 | Very low | 42 | Very low | 142 Ų | 142 | 117 Ų | 117 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -53.3 | -33.6 | -176 | -58.6 | 166.7 | 0 | 0 | 0 | 111.6 | F497 L498 | I494-F497 PolarHBondContact O-N 2.74Å; I494-L498 HydrophobicContact CG2-CD1 3.83Å; I494-L498 WeakPolarHBondContact O-CD1 3.48Å; I494-L498 PolarHBondContact O-N 2.97Å |
| 495 | S | 43.5 | Very low | 43.3 | Very low | 90 Ų | 90 | 115.5 Ų | 115.5 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.3 | -35.6 | 172.8 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | G493 S499 | G493-S495 PolarHBondContact O-N 2.92Å; S495-S499 VanDerWaalsContact O-CB 3.29Å; S495-S499 WeakPolarHBondContact O-CB 3.45Å; S495-S499 PolarHBondContact O-N 3.29Å; S495-S499 PolarHBondContact O-OG 2.97Å |
| 496 | G | 42.2 | Very low | 44.7 | Very low | 27 Ų | 27 | 116.3 Ų | 116.3 | 28% | 0.278 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.3 | -36 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G493 S499 K500 | G493-G496 WeakPolarHBondContact O-CA 3.41Å; G493-G496 PolarHBondContact O-N 3Å; G496-S499 PolarHBondContact O-N 2.91Å; G496-K500 PolarHBondContact O-N 2.78Å |
| 497 | F | 49.3 | Very low | 46.2 | Very low | 166 Ų | 166 | 114 Ų | 114 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.8 | -46.7 | 172.3 | -128.4 | -83.8 | 0 | 0 | 0 | 111.1 | G493 I494 S499 K500 A501 | G493-F497 PolarHBondContact O-N 3.37Å; I494-F497 PolarHBondContact O-N 2.74Å; F497-S499 VanDerWaalsContact C-N 3.31Å; F497-S499 PolarHBondContact O-N 3.06Å; F497-K500 PolarHBondContact O-N 3.18Å; F497-A501 WeakPolarHBondContact O-CB 3.5Å; F497-A501 PolarHBondContact O-N 3.31Å |
| 498 | L | 51.5 | Low | 47.2 | Very low | 114 Ų | 114 | 111 Ų | 111 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.1 | -40 | 171.2 | -98.3 | 89.1 | 0 | 0 | 0 | 112.2 | I494 A501 A502 | I494-L498 HydrophobicContact CG2-CD1 3.83Å; I494-L498 WeakPolarHBondContact O-CD1 3.48Å; I494-L498 PolarHBondContact O-N 2.97Å; L498-A501 PolarHBondContact O-N 3.01Å; L498-A502 WeakPolarHBondContact O-CB 3.41Å; L498-A502 PolarHBondContact O-N 3.18Å |
| 499 | S | 60 | Low | 48 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67 | -37.6 | 179.3 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | S495 G496 F497 R503 | S495-S499 VanDerWaalsContact O-CB 3.29Å; S495-S499 WeakPolarHBondContact O-CB 3.45Å; S495-S499 PolarHBondContact O-N 3.29Å; S495-S499 PolarHBondContact O-OG 2.97Å; G496-S499 PolarHBondContact O-N 2.91Å; F497-S499 VanDerWaalsContact C-N 3.31Å; F497-S499 PolarHBondContact O-N 3.06Å; S499-R503 WeakPolarHBondContact O-CB 2.84Å; S499-R503 PolarHBondContact O-N 3.17Å |
| 500 | K | 58.4 | Low | 49 | Very low | 172 Ų | 172 | 107.1 Ų | 107.1 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69 | -42.7 | 171.9 | -83 | -173.1 | 175 | -179.4 | 0 | 112 | G496 F497 R503 S504 | G496-K500 PolarHBondContact O-N 2.78Å; F497-K500 PolarHBondContact O-N 3.18Å; K500-R503 PolarHBondContact O-N 3.03Å; K500-S504 WeakPolarHBondContact O-CB 3.45Å; K500-S504 PolarHBondContact O-N 3.27Å |
| 501 | A | 50.6 | Low | 49.8 | Very low | 52 Ų | 52 | 104.3 Ų | 104.3 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.3 | -47.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F497 L498 R503 S504 V505 | F497-A501 WeakPolarHBondContact O-CB 3.5Å; F497-A501 PolarHBondContact O-N 3.31Å; L498-A501 PolarHBondContact O-N 3.01Å; A501-R503 PolarHBondContact O-N 2.98Å; A501-S504 WeakPolarHBondContact O-CB 3.38Å; A501-S504 PolarHBondContact O-N 3.33Å; A501-S504 VanDerWaalsContact O-N 3.16Å; A501-V505 WeakPolarHBondContact O-CG2 3.5Å; A501-V505 PolarHBondContact O-N 3.38Å |
| 502 | A | 55.5 | Low | 50.2 | Low | 59 Ų | 59 | 103.3 Ų | 103.3 | 49% | 0.488 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.6 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L498 S504 V505 Y506 | L498-A502 WeakPolarHBondContact O-CB 3.41Å; L498-A502 PolarHBondContact O-N 3.18Å; A502-S504 PolarHBondContact O-N 2.99Å; A502-V505 PolarHBondContact O-N 3.44Å; A502-Y506 VanDerWaalsContact O-CB 3.32Å; A502-Y506 WeakPolarHBondContact O-CB 3.35Å; A502-Y506 PolarHBondContact O-N 2.78Å |
| 503 | R | 61.6 | Low | 50.2 | Low | 203 Ų | 203 | 103.8 Ų | 103.8 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.8 | -38.9 | 173.3 | -91.6 | -176.8 | 166 | 174.5 | -3.7 | 113 | S499 K500 A501 Y506 S507 | S499-R503 WeakPolarHBondContact O-CB 2.84Å; S499-R503 PolarHBondContact O-N 3.17Å; K500-R503 PolarHBondContact O-N 3.03Å; A501-R503 PolarHBondContact O-N 2.98Å; R503-Y506 PolarHBondContact O-N 2.85Å; R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 2.85Å; R503-S507 PolarHBondContact O-OG 2.83Å |
| 504 | S | 61 | Low | 50.3 | Low | 65 Ų | 65 | 107.8 Ų | 107.8 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.4 | -48.1 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | K500 A501 A502 S507 R508 | K500-S504 WeakPolarHBondContact O-CB 3.45Å; K500-S504 PolarHBondContact O-N 3.27Å; A501-S504 WeakPolarHBondContact O-CB 3.38Å; A501-S504 PolarHBondContact O-N 3.33Å; A501-S504 VanDerWaalsContact O-N 3.16Å; A502-S504 PolarHBondContact O-N 2.99Å; S504-S507 PolarHBondContact O-N 2.82Å; S504-R508 WeakPolarHBondContact O-CB 3.35Å; S504-R508 PolarHBondContact O-N 3.32Å |
| 505 | V | 56.4 | Low | 49.8 | Very low | 87 Ų | 87 | 105.8 Ų | 105.8 | 53% | 0.527 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.8 | -43.4 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | A501 A502 R508 L509 | A501-V505 WeakPolarHBondContact O-CG2 3.5Å; A501-V505 PolarHBondContact O-N 3.38Å; A502-V505 PolarHBondContact O-N 3.44Å; V505-R508 PolarHBondContact O-N 3.13Å; V505-L509 HydrophobicContact CG1-CD1 3.84Å; V505-L509 HydrophobicContact CG1-CG 4.42Å; V505-L509 WeakPolarHBondContact O-CB 3Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 2.7Å |
| 506 | Y | 57.4 | Low | 49.2 | Very low | 151 Ų | 151 | 109.5 Ų | 109.5 | 59% | 0.592 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65 | -40.6 | 178.4 | -139.6 | -95.4 | 0 | 0 | 0 | 112 | A502 R503 L509 M510 | A502-Y506 VanDerWaalsContact O-CB 3.32Å; A502-Y506 WeakPolarHBondContact O-CB 3.35Å; A502-Y506 PolarHBondContact O-N 2.78Å; R503-Y506 PolarHBondContact O-N 2.85Å; Y506-L509 PolarHBondContact O-N 3.01Å; Y506-M510 HydrophobicContact CD1-CE 4.12Å; Y506-M510 HydrophobicContact CD1-CG 4.02Å; Y506-M510 HydrophobicContact CE1-CE 3.46Å; Y506-M510 VanDerWaalsContact CE1-CE 3.46Å; Y506-M510 HydrophobicContact CE1-CG 4.25Å; Y506-M510 WeakPolarHBondContact O-CB 3.47Å; Y506-M510 VanDerWaalsContact O-CG 3.23Å; Y506-M510 WeakPolarHBondContact O-CG 3.42Å; Y506-M510 PolarHBondContact O-N 3.19Å |
| 507 | S | 59.6 | Low | 48.5 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.8 | -41.5 | 173.6 | -64.6 | 0 | 0 | 0 | 0 | 112 | R503 S504 L509 M510 S511 | R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 2.85Å; R503-S507 PolarHBondContact O-OG 2.83Å; S504-S507 PolarHBondContact O-N 2.82Å; S507-L509 VanDerWaalsContact C-N 3.35Å; S507-M510 PolarHBondContact O-N 3.11Å; S507-S511 WeakPolarHBondContact O-CB 3.32Å; S507-S511 PolarHBondContact O-N 3.05Å; S507-S511 PolarHBondContact O-OG 2.9Å |
| 508 | R | 50.6 | Low | 47.6 | Very low | 161 Ų | 161 | 112.4 Ų | 112.4 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.8 | -35 | 177.8 | -158.7 | 178.3 | -79.2 | -169.6 | -2.3 | 111.4 | S504 V505 S512 | S504-R508 WeakPolarHBondContact O-CB 3.35Å; S504-R508 PolarHBondContact O-N 3.32Å; V505-R508 PolarHBondContact O-N 3.13Å; R508-S512 WeakPolarHBondContact O-CB 3.46Å; R508-S512 PolarHBondContact O-N 3.46Å; R508-S512 PolarHBondContact O-OG 3.38Å |
| 509 | L | 48.1 | Very low | 46.5 | Very low | 114 Ų | 114 | 114.1 Ų | 114.1 | 60% | 0.597 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.3 | -45.6 | 171.6 | -77.2 | 167 | 0 | 0 | 0 | 112.4 | V505 Y506 S507 S512 | V505-L509 HydrophobicContact CG1-CD1 3.84Å; V505-L509 HydrophobicContact CG1-CG 4.42Å; V505-L509 WeakPolarHBondContact O-CB 3Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 2.7Å; Y506-L509 PolarHBondContact O-N 3.01Å; S507-L509 VanDerWaalsContact C-N 3.35Å; L509-S512 PolarHBondContact O-N 2.91Å |
| 510 | M | 51.6 | Low | 45.3 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 62% | 0.616 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.6 | -33.9 | -177.6 | -69.1 | -63.5 | 167.8 | 0 | 0 | 113.1 | Y506 S507 S512 | Y506-M510 HydrophobicContact CD1-CE 4.12Å; Y506-M510 HydrophobicContact CD1-CG 4.02Å; Y506-M510 HydrophobicContact CE1-CE 3.46Å; Y506-M510 VanDerWaalsContact CE1-CE 3.46Å; Y506-M510 HydrophobicContact CE1-CG 4.25Å; Y506-M510 WeakPolarHBondContact O-CB 3.47Å; Y506-M510 VanDerWaalsContact O-CG 3.23Å; Y506-M510 WeakPolarHBondContact O-CG 3.42Å; Y506-M510 PolarHBondContact O-N 3.19Å; S507-M510 PolarHBondContact O-N 3.11Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 3.17Å |
| 511 | S | 49 | Very low | 43.8 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.6 | -19.4 | 173 | -72.5 | 0 | 0 | 0 | 0 | 113.9 | S507 G513 | S507-S511 WeakPolarHBondContact O-CB 3.32Å; S507-S511 PolarHBondContact O-N 3.05Å; S507-S511 PolarHBondContact O-OG 2.9Å; S511-G513 VanDerWaalsContact C-N 3.26Å; S511-G513 PolarHBondContact O-N 3.43Å |
| 512 | S | 39.7 | Very low | 42.9 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 9 | -178.8 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | R508 L509 M510 | R508-S512 WeakPolarHBondContact O-CB 3.46Å; R508-S512 PolarHBondContact O-N 3.46Å; R508-S512 PolarHBondContact O-OG 3.38Å; L509-S512 PolarHBondContact O-N 2.91Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 3.17Å |
| 513 | G | 35.4 | Very low | 41.6 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -12.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | S511 | S511-G513 VanDerWaalsContact C-N 3.26Å; S511-G513 PolarHBondContact O-N 3.43Å |
| 514 | S | 34.7 | Very low | 40.1 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -109.9 | 97.6 | -172 | -161.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 515 | S | 30.2 | Very low | 38.5 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | trans | -80.5 | 166.3 | 168.7 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 516 | Q | 30.3 | Very low | 37.3 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | 92.7 | 111.9 | 168.9 | -57.5 | -170.9 | 2.3 | 0 | 0 | 119.4 | ||||
| 517 | L | 28 | Very low | 36.1 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | 58.5 | 97.6 | 131.7 | -72.1 | 153.4 | 0 | 0 | 0 | 119.3 | ||||
| 518 | A | 29.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -143.6 | 72.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 519 | L | 29.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -69 | 126.8 | 160.9 | -86.5 | 163.9 | 0 | 0 | 0 | 108.5 | ||||
| 520 | K | 32.8 | Very low | 33 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -128.6 | 100.3 | 165.5 | -109.3 | -173.1 | 175 | -177.1 | 0 | 108.7 | ||||
| 521 | D | 27.7 | Very low | 32 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -64.2 | 141.8 | 171.4 | -59.8 | -62.4 | 0 | 0 | 0 | 110.8 | ||||
| 522 | T | 31 | Very low | 31.1 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -149.6 | 97.5 | 158.6 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 523 | P | 28.5 | Very low | 30.7 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -87.3 | 143.9 | 177.6 | 33.7 | -32.2 | 0 | 0 | 0 | 111 | ||||
| 524 | L | 29.7 | Very low | 30.5 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 94% | 0.942 | 76% | 0.762 | S | S | * | * | trans | -134.8 | 131.6 | 159.2 | -153.5 | 73.7 | 0 | 0 | 0 | 111.1 | ||||
| 525 | V | 28.2 | Very low | 30.5 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | trans | -111.2 | 160.2 | -170.1 | 171.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 526 | N | 32.1 | Very low | 30.6 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 100 | 137.2 | 172.6 | -59.1 | -64.9 | 0 | 0 | 0 | 114.5 | ||||
| 527 | K | 30.7 | Very low | 30.7 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | cis | -162.7 | 140.1 | 12.5 | -134.4 | 179.1 | 177.4 | -166.9 | 0 | 112.9 | ||||
| 528 | Q | 30.1 | Very low | 30.8 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 141.6 | 147.9 | -73.1 | 172.4 | -72.2 | 0 | 0 | 118.9 | ||||
| 529 | Q | 31.5 | Very low | 30.7 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 66% | 0.659 | 76% | 0.759 | S | S | * | * | cis | -160.6 | 134.8 | 24.8 | -169.9 | 82.2 | 6.9 | 0 | 0 | 112.6 | ||||
| 530 | S | 32.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 51.8 | 140.3 | 151.2 | 68.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 531 | M | 31 | Very low | 30.5 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | cis | -141.3 | 136.1 | 2.6 | -60.1 | -172.8 | -91.5 | 0 | 0 | 107.4 | ||||
| 532 | I | 29.1 | Very low | 30.5 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | 47.9 | 110.6 | 79.3 | -51.4 | 177.9 | 0 | 0 | 0 | 110.7 | |||||
| 533 | D | 32.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | -151.7 | 141.5 | 63 | -117.8 | -46.8 | 0 | 0 | 0 | 117.7 | |||||
| 534 | S | 29.8 | Very low | 30.4 | Very low | 94 Ų | 94 | 137 Ų | 137 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | 36.5 | 115.7 | 132.4 | -55.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 535 | S | 34.9 | Very low | 30.4 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | -168.3 | 127.6 | 79.3 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 536 | K | 33.2 | Very low | 30.4 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | 46.1 | 134.5 | 90.1 | -67.2 | -178.3 | -179.7 | 176.3 | 0 | 114.6 | |||||
| 537 | S | 32.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | cis | -173.6 | 171.3 | -6.3 | 45.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 538 | L | 30.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | cis | -155.9 | 174.9 | 17.2 | -163.2 | 68.6 | 0 | 0 | 0 | 109.4 | ||||
| 539 | I | 27.6 | Very low | 30.2 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -120.9 | 134.5 | 157.8 | -67 | 167.1 | 0 | 0 | 0 | 107.2 | ||||
| 540 | E | 30.5 | Very low | 30.3 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -140.6 | 131.4 | 168.3 | -168.3 | 158.3 | -152.4 | 0 | 0 | 111.3 | ||||
| 541 | S | 26.9 | Very low | 30.2 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -131.6 | 111.5 | -171.9 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 542 | C | 28 | Very low | 30.2 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -150.8 | 115.1 | 164.4 | -84 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 543 | S | 29.9 | Very low | 30.4 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | 90.5 | 104.5 | 66.1 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 544 | V | 28 | Very low | 30.6 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | 52.4 | 119.4 | 148.2 | -172.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 545 | G | 30.2 | Very low | 30.6 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -171.4 | 93.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 546 | N | 26.7 | Very low | 30.6 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -68.4 | 135.9 | 177.7 | -67.5 | -27.7 | 0 | 0 | 0 | 112.5 | ||||
| 547 | K | 31.2 | Very low | 30.8 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -158.6 | 135.9 | 140.9 | -115.3 | 170.1 | -176.4 | -178.3 | 0 | 111.8 | ||||
| 548 | A | 27.9 | Very low | 31.1 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | -88.1 | -171.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 549 | E | 30.4 | Very low | 31.4 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | 75.7 | 139.6 | 171.6 | -64.7 | -176.2 | 134.2 | 0 | 0 | 116.6 | ||||
| 550 | S | 33.2 | Very low | 32.1 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | cis | -170.9 | 179.1 | -18.4 | -155.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 551 | I | 31.1 | Very low | 32.6 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 76.2 | 96.1 | 155.1 | -59 | 150.5 | 0 | 0 | 0 | 118.3 | ||||
| 552 | K | 30.5 | Very low | 33.3 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | 36.7 | 113.1 | 120.2 | -58.3 | 174.8 | 174.8 | -179.3 | 0 | 119.6 | |||||
| 553 | K | 33.7 | Very low | 34.1 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -167.9 | 143.8 | 136.9 | -102.2 | -174.9 | 175 | -109.1 | 0 | 107.3 | ||||
| 554 | E | 35 | Very low | 34.6 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | -157 | 124.4 | -10.7 | -158 | 158.8 | 164 | 0 | 0 | 106.5 | S556 | E554-S556 PolarHBondContact O-N 3.44Š| ||
| 555 | L | 30.9 | Very low | 35.4 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 93% | 0.927 | 73% | 0.731 | S | S | * | * | trans | -79.4 | 116.9 | 175.2 | -97.2 | 96.1 | 0 | 0 | 0 | 109.8 | ||||
| 556 | S | 35.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -167.8 | 109.1 | 159.2 | -79.9 | 0 | 0 | 0 | 0 | 108.7 | E554 | E554-S556 PolarHBondContact O-N 3.44Š| ||
| 557 | I | 35.8 | Very low | 36.5 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 177.2 | -35.3 | 156.2 | -94.7 | 150.1 | 0 | 0 | 0 | 110.7 | Q559 E560 | I557-Q559 PolarHBondContact O-N 2.98Å; I557-E560 PolarHBondContact O-N 2.9Å |
| 558 | E | 38.8 | Very low | 36.8 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 60% | 0.603 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 5.5 | -170.8 | -135.5 | 64.6 | -150.9 | 0 | 0 | 115.9 | K561 | E558-K561 WeakPolarHBondContact OE1-CD 3.43Å; E558-K561 IonicContact OE1-NZ 3.68Å; E558-K561 PolarHBondContact OE1-NZ 3.27Å |
| 559 | Q | 38.5 | Very low | 37.2 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -13.2 | 172.7 | -160.3 | 167.4 | 1.8 | 0 | 0 | 112.9 | I557 | I557-Q559 PolarHBondContact O-N 2.98Š|
| 560 | E | 41.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 58% | 0.575 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -94.9 | -1.5 | 179.1 | -146.9 | -166.3 | 136.3 | 0 | 0 | 113.6 | I557 R564 | I557-E560 PolarHBondContact O-N 2.9Å; E560-R564 IonicContact OE1-CZ 3.97Å; E560-R564 IonicContact OE1-NE 3.36Å; E560-R564 IonicContact OE1-NH2 3.79Å; E560-R564 PolarHBondContact OE1-NH2 2.88Å |
| 561 | K | 42 | Very low | 37.7 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 51% | 0.513 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -99.2 | -28.4 | -174.2 | -146.5 | 178.3 | -177.9 | -174.9 | 0 | 113.4 | E558 R564 E565 | E558-K561 WeakPolarHBondContact OE1-CD 3.43Å; E558-K561 IonicContact OE1-NZ 3.68Å; E558-K561 PolarHBondContact OE1-NZ 3.27Å; K561-R564 PolarHBondContact O-N 3.45Å; K561-E565 PolarHBondContact O-N 3.37Å |
| 562 | H | 41.9 | Very low | 37.6 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 63% | 0.625 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77.3 | -22.1 | -178 | -152.1 | 54.6 | 0 | 0 | 0 | 113.7 | ||
| 563 | E | 43.1 | Very low | 37.7 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.5 | -22.8 | 171.7 | -70.3 | -174 | 150.8 | 0 | 0 | 113.1 | ||
| 564 | R | 42.4 | Very low | 37.5 | Very low | 166 Ų | 166 | 142 Ų | 142 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -79.5 | -31.5 | 178.6 | -64.7 | -171 | -170.5 | -159.3 | 5.8 | 113 | E560 K561 | E560-R564 IonicContact OE1-CZ 3.97Å; E560-R564 IonicContact OE1-NE 3.36Å; E560-R564 IonicContact OE1-NH2 3.79Å; E560-R564 PolarHBondContact OE1-NH2 2.88Å; K561-R564 PolarHBondContact O-N 3.45Å |
| 565 | E | 43.6 | Very low | 37.3 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 59% | 0.589 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -79.3 | -27 | 178.6 | -72.7 | 179.1 | 160 | 0 | 0 | 113.4 | K561 | K561-E565 PolarHBondContact O-N 3.37Å |
| 566 | Q | 40.7 | Very low | 37.1 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -73.8 | -30.6 | 169.8 | -73.3 | -161.4 | 8.5 | 0 | 0 | 113.2 | Q568 | Q566-Q568 VanDerWaalsContact C-N 3.31Å; Q566-Q568 PolarHBondContact O-N 3.42Å |
| 567 | H | 40.4 | Very low | 36.7 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -75.9 | -14.2 | 177.4 | -96 | -56.7 | 0 | 0 | 0 | 114.7 | ||
| 568 | Q | 35.8 | Very low | 36.5 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -88.7 | -15.5 | 178.5 | -159 | 153.8 | 25.1 | 0 | 0 | 113.8 | Q566 | Q566-Q568 VanDerWaalsContact C-N 3.31Å; Q566-Q568 PolarHBondContact O-N 3.42Å |
| 569 | Q | 36.1 | Very low | 36 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -93.2 | -3.8 | 176.1 | -65.7 | -171.3 | 3.9 | 0 | 0 | 114.5 | ||
| 570 | Q | 37.3 | Very low | 35.7 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -96.6 | 1.6 | 170.2 | -74 | -176.2 | -12.1 | 0 | 0 | 113.8 | ||
| 571 | S | 37.2 | Very low | 35.2 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -100.3 | -0.2 | -175.3 | -168.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 572 | C | 30.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -103.6 | 6.5 | -174.7 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 573 | L | 31.4 | Very low | 34.4 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -116.3 | 69.8 | 177.2 | -73 | 168 | 0 | 0 | 0 | 110.2 | ||
| 574 | N | 30.1 | Very low | 34.2 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | 177 | 61.5 | 162.5 | -94 | -23.8 | 0 | 0 | 0 | 114.2 | ||||
| 575 | V | 29.7 | Very low | 33.9 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | -143.7 | 86.3 | 152.1 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 576 | T | 27.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -79.7 | 147.4 | 154.8 | -35 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 577 | S | 27.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 59.7 | 89.9 | 170.9 | 62.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 578 | S | 31.1 | Very low | 33 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -154 | 86.6 | 134.6 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 579 | F | 27.1 | Very low | 33 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 161.8 | 161.2 | -167.6 | -108.2 | 0 | 0 | 0 | 109.3 | ||||
| 580 | V | 32.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 76.1 | 93.1 | -179.8 | -165.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 581 | Q | 31.5 | Very low | 33.3 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -176.8 | -1.2 | 136.7 | -108.8 | 176.5 | -4.2 | 0 | 0 | 117.9 | E583 | Q581-E583 PolarHBondContact O-N 2.95Š| ||
| 582 | S | 32.2 | Very low | 33.3 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -85 | 5.3 | -175.1 | 60.2 | 0 | 0 | 0 | 0 | 116.4 | Q584 | S582-Q584 PolarHBondContact O-N 3.29Š|
| 583 | E | 34.9 | Very low | 33.8 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -76.1 | -5.6 | -173.4 | -159.4 | 166 | -163.2 | 0 | 0 | 114.2 | Q581 | Q581-E583 PolarHBondContact O-N 2.95Š|
| 584 | Q | 38.1 | Very low | 34.4 | Very low | 167 Ų | 167 | 137 Ų | 137 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -99.7 | -2.7 | -177.8 | -71.3 | -175.8 | -27.3 | 0 | 0 | 115.2 | S582 | S582-Q584 PolarHBondContact O-N 3.29Š|
| 585 | I | 36.1 | Very low | 35.1 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 65% | 0.651 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -94.2 | -24 | -180 | -62.1 | 175.6 | 0 | 0 | 0 | 111.6 | Q587 Q588 | I585-Q587 PolarHBondContact O-N 2.9Å; I585-Q587 VanDerWaalsContact O-N 3.11Å; I585-Q588 PolarHBondContact O-N 3.09Å |
| 586 | S | 35.4 | Very low | 35.4 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 5.2 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 587 | Q | 36.3 | Very low | 35.8 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 6.4 | -179.6 | -78.2 | 164.1 | 5.6 | 0 | 0 | 113.6 | I585 | I585-Q587 PolarHBondContact O-N 2.9Å; I585-Q587 VanDerWaalsContact O-N 3.11Å |
| 588 | Q | 35.5 | Very low | 36.2 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -109 | -0.2 | 174.3 | -153.6 | 83.2 | 78.5 | 0 | 0 | 113 | I585 | I585-Q588 PolarHBondContact O-N 3.09Š|
| 589 | L | 36.1 | Very low | 36.3 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -116.4 | 11.7 | -178.8 | -82.6 | 164.2 | 0 | 0 | 0 | 113 | ||
| 590 | L | 38.5 | Very low | 36.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -98 | -1.7 | -178.5 | -88.2 | 164.2 | 0 | 0 | 0 | 114.1 | ||
| 591 | D | 40 | Very low | 36.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 65% | 0.647 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -89.1 | -11.4 | -176.1 | -68.2 | -26.4 | 0 | 0 | 0 | 114 | ||
| 592 | D | 38.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -93.5 | -8 | -179.7 | -71 | -29.3 | 0 | 0 | 0 | 113.9 | ||
| 593 | E | 39.9 | Very low | 36.9 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.1 | -20.6 | 179.4 | -168.9 | 77 | -146.3 | 0 | 0 | 112.2 | ||
| 594 | E | 43.5 | Very low | 36.8 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -86.3 | -22.3 | -176.6 | -162.7 | 158.2 | -130.2 | 0 | 0 | 112.9 | W596 | E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 3.09Å |
| 595 | T | 45.5 | Very low | 36.7 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -71.3 | -26.7 | -179.8 | -10.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 596 | W | 35.6 | Very low | 36.5 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 74% | 0.739 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -88.4 | -14.9 | -178 | -72.7 | 98.3 | 0 | 0 | 0 | 114.6 | E594 T598 | E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 3.09Å; W596-T598 VanDerWaalsContact C-N 3.3Å; W596-T598 PolarHBondContact O-N 2.94Å |
| 597 | K | 35.9 | Very low | 36.2 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 65% | 0.652 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -16.9 | 174.1 | -76.2 | 178.4 | -179.9 | 165.5 | 0 | 113.9 | ||
| 598 | T | 37 | Very low | 35.9 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 64% | 0.638 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -12.8 | -178.9 | -42.3 | 0 | 0 | 0 | 0 | 113.5 | W596 S601 | W596-T598 VanDerWaalsContact C-N 3.3Å; W596-T598 PolarHBondContact O-N 2.94Å; T598-S601 PolarHBondContact O-OG 3.46Å |
| 599 | V | 32.7 | Very low | 35.6 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -12.4 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 112 | ||
| 600 | S | 33 | Very low | 35.3 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -102.5 | 10.2 | 179.9 | -165.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 601 | S | 34 | Very low | 34.9 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 52% | 0.524 | 71% | 0.706 | S | S | . | * | trans | -100.7 | 3.5 | -178.5 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | T598 | T598-S601 PolarHBondContact O-OG 3.46Š| ||
| 602 | V | 32.4 | Very low | 34.3 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -107.2 | 52.5 | -176.4 | -165.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 603 | H | 37 | Very low | 34 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | trans | -152.2 | 8.5 | 161.8 | -89.7 | -42.7 | 0 | 0 | 0 | 116.4 | L605 | H603-L605 PolarHBondContact O-N 3.07Š| ||
| 604 | D | 32 | Very low | 33.4 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -74.9 | 54.4 | 167.5 | -80.1 | -25.9 | 0 | 0 | 0 | 112.2 | N606 | D604-N606 PolarHBondContact O-N 3Š| ||
| 605 | L | 35.8 | Very low | 32.8 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -93 | 74.3 | 165.9 | -76.3 | 174.3 | 0 | 0 | 0 | 109.6 | H603 G607 | H603-L605 PolarHBondContact O-N 3.07Å; L605-G607 PolarHBondContact O-N 3.49Å | ||
| 606 | N | 32.6 | Very low | 31.9 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 91% | 0.914 | 74% | 0.74 | S | S | * | * | trans | -67 | 39.3 | 152.6 | -104.1 | -9.2 | 0 | 0 | 0 | 111.1 | D604 S608 | D604-N606 PolarHBondContact O-N 3Å; N606-S608 PolarHBondContact O-N 3.29Å | ||
| 607 | G | 28.9 | Very low | 31.7 | Very low | 57 Ų | 57 | 135.1 Ų | 135.1 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | trans | -75.5 | 90 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L605 M609 | L605-G607 PolarHBondContact O-N 3.49Å; G607-M609 VanDerWaalsContact C-N 3.3Å; G607-M609 PolarHBondContact O-N 3.08Å | ||
| 608 | S | 28.8 | Very low | 31.4 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -58.2 | 97 | 162.3 | 54.6 | 0 | 0 | 0 | 0 | 108.4 | N606 E610 | N606-S608 PolarHBondContact O-N 3.29Å; S608-E610 PolarHBondContact O-N 3.26Å | ||
| 609 | M | 29 | Very low | 31 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -70.5 | 85.4 | 171.2 | -179.1 | 164.9 | 54.8 | 0 | 0 | 108 | G607 I611 | G607-M609 VanDerWaalsContact C-N 3.3Å; G607-M609 PolarHBondContact O-N 3.08Å; M609-I611 HydrophobicContact CG-CG1 4.19Å; M609-I611 PolarHBondContact O-N 2.98Å | ||
| 610 | E | 29.9 | Very low | 30.8 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -60.7 | 100.4 | 163.7 | -71.5 | -168.5 | 156.6 | 0 | 0 | 107.9 | S608 S612 | S608-E610 PolarHBondContact O-N 3.26Å; E610-S612 PolarHBondContact O-N 3.49Å | ||
| 611 | I | 30.4 | Very low | 30.8 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -71.1 | 88 | 172.3 | -55.2 | 176.3 | 0 | 0 | 0 | 107 | M609 S613 | M609-I611 HydrophobicContact CG-CG1 4.19Å; M609-I611 PolarHBondContact O-N 2.98Å; I611-S613 PolarHBondContact O-N 3.15Å | ||
| 612 | S | 27.3 | Very low | 30.7 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -71.5 | 75.7 | 176.9 | -164.5 | 0 | 0 | 0 | 0 | 110.4 | E610 K614 | E610-S612 PolarHBondContact O-N 3.49Å; S612-K614 PolarHBondContact O-N 3.07Å | ||
| 613 | S | 31.8 | Very low | 30.6 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -75.8 | 59.6 | 169.7 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | I611 M615 | I611-S613 PolarHBondContact O-N 3.15Å; S613-M615 PolarHBondContact O-N 3.36Å | ||
| 614 | K | 28.7 | Very low | 30.3 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -72.6 | 75.6 | 154.5 | -83.4 | -173.5 | 173.1 | 179.8 | 0 | 108.8 | S612 E616 | S612-K614 PolarHBondContact O-N 3.07Å; K614-E616 PolarHBondContact O-N 3.13Å | ||
| 615 | M | 30.6 | Very low | 30.4 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -74.1 | 116 | 157.9 | -173.4 | 92.8 | 100.9 | 0 | 0 | 107 | S613 I617 | S613-M615 PolarHBondContact O-N 3.36Å; M615-I617 PolarHBondContact O-N 3.47Å; M615-I617 VanDerWaalsContact O-N 3.12Å | ||
| 616 | E | 26.6 | Very low | 30 | Very low | 185 Ų | 185 | 130.2 Ų | 130.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -64.1 | 110.8 | 174.7 | -66.2 | 178.9 | 128.1 | 0 | 0 | 110.2 | K614 | K614-E616 PolarHBondContact O-N 3.13Š| ||
| 617 | I | 30.8 | Very low | 30 | Very low | 152 Ų | 152 | 127 Ų | 127 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -117.9 | 97.2 | 158.4 | -59.1 | -177.3 | 0 | 0 | 0 | 107 | M615 G619 | M615-I617 PolarHBondContact O-N 3.47Å; M615-I617 VanDerWaalsContact O-N 3.12Å; I617-G619 PolarHBondContact O-N 3.04Å | ||
| 618 | T | 29.2 | Very low | 29.9 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -56.7 | 117.6 | 172.3 | 47 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 619 | G | 29 | Very low | 30.2 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -166.7 | 73.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I617 | I617-G619 PolarHBondContact O-N 3.04Š| ||
| 620 | S | 28.2 | Very low | 30.3 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -66.9 | 127 | 176.4 | 55 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 621 | C | 33.8 | Very low | 30.4 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -153.2 | 138.9 | 143.6 | -93.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 622 | T | 31.5 | Very low | 30.5 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -103.1 | 176.8 | -168.7 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 623 | D | 31.5 | Very low | 30.9 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | 84.3 | 128.7 | 155 | -45.4 | -49 | 0 | 0 | 0 | 118.6 | ||||
| 624 | G | 30.3 | Very low | 31.2 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | 132.2 | 62.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 625 | D | 33.8 | Very low | 31.6 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | 31.7 | 105.4 | 144.7 | -60.7 | -23 | 0 | 0 | 0 | 121.2 | ||||
| 626 | G | 27.7 | Very low | 32 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 0.3 | 123.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 627 | A | 32 | Very low | 32.5 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -150.2 | 116.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 628 | M | 27.6 | Very low | 32.7 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 129 | 159.6 | -71.7 | -178.9 | 71.2 | 0 | 0 | 108.6 | ||||
| 629 | L | 35.1 | Very low | 33 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -170 | 135.9 | 140.3 | -105 | 162 | 0 | 0 | 0 | 112.7 | ||||
| 630 | L | 31.2 | Very low | 33.2 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -25.8 | 141.4 | 170.3 | -82.3 | 50 | 0 | 0 | 0 | 117.2 | ||||
| 631 | G | 31 | Very low | 33.4 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -161.7 | 8.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 632 | N | 32.1 | Very low | 33.4 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 42.7 | 96.9 | 157 | -55.1 | -10.6 | 0 | 0 | 0 | 120.6 | ||||
| 633 | K | 36.9 | Very low | 33.5 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | trans | -164.6 | 165.8 | 139.2 | -117.1 | 168.5 | -180 | 179.9 | 0 | 110.8 | ||||
| 634 | E | 37.2 | Very low | 33.5 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 73.9 | 33.9 | 167.9 | -61.9 | 171.4 | -171.7 | 0 | 0 | 119.1 | ||
| 635 | N | 37.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 65% | 0.652 | 80% | 0.801 | S | S | * | * | trans | -125.7 | 25.6 | 168.4 | -135.4 | 0.6 | 0 | 0 | 0 | 114.4 | ||||
| 636 | T | 38.6 | Very low | 33.6 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -91.5 | -9.2 | -173.1 | -20.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 637 | E | 37.1 | Very low | 33.8 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -111.5 | -23.1 | -173.9 | -66.2 | -179 | 176.2 | 0 | 0 | 113.7 | L639 | E637-L639 VanDerWaalsContact C-N 3.34Å; E637-L639 PolarHBondContact O-N 3.14Å |
| 638 | C | 35.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 155.1 Ų | 155.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -0.3 | 179.6 | -92.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 639 | L | 34.9 | Very low | 34.2 | Very low | 134 Ų | 134 | 155 Ų | 155 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -0.6 | -178.7 | -84.5 | 167 | 0 | 0 | 0 | 115.1 | E637 | E637-L639 VanDerWaalsContact C-N 3.34Å; E637-L639 PolarHBondContact O-N 3.14Å |
| 640 | Q | 34.6 | Very low | 34 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -83.2 | -19.3 | 173.5 | -70.2 | -161.5 | -3.7 | 0 | 0 | 113.9 | Y642 | Q640-Y642 VanDerWaalsContact C-N 3.29Å; Q640-Y642 PolarHBondContact O-N 3.21Å |
| 641 | L | 32.5 | Very low | 34 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.2 | -175.9 | -85.7 | 165 | 0 | 0 | 0 | 115.6 | ||
| 642 | Y | 32.8 | Very low | 34.1 | Very low | 224 Ų | 224 | 153.8 Ų | 153.8 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 10.2 | -178.1 | -113.4 | -89.2 | 0 | 0 | 0 | 114.9 | Q640 | Q640-Y642 VanDerWaalsContact C-N 3.29Å; Q640-Y642 PolarHBondContact O-N 3.21Å |
| 643 | K | 33.2 | Very low | 34.2 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -127.8 | 20.4 | -176 | -144 | -173.4 | 178.1 | -171.8 | 0 | 115.5 | ||
| 644 | T | 31.9 | Very low | 34 | Very low | 118 Ų | 118 | 151 Ų | 151 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -128.7 | 32.2 | -175.2 | -36.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 645 | V | 32.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -126.8 | 17.2 | -175.8 | -162.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 646 | H | 34.3 | Very low | 33.5 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -143 | -5.8 | -176.8 | -109.4 | -60.5 | 0 | 0 | 0 | 118.9 | ||
| 647 | E | 31.3 | Very low | 33.1 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -130.1 | 157.7 | 169.7 | -78.8 | 165.1 | 142.4 | 0 | 0 | 108.2 | ||
| 648 | D | 31.6 | Very low | 32.9 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | 75.9 | 48.9 | 179.2 | -53.6 | -16.1 | 0 | 0 | 0 | 119.6 | ||||
| 649 | I | 36.5 | Very low | 32.7 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | trans | -130.4 | 54.3 | 152.3 | -44.6 | 179.2 | 0 | 0 | 0 | 109.8 | ||||
| 650 | G | 30.5 | Very low | 32.6 | Very low | 65 Ų | 65 | 152.7 Ų | 152.7 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -148 | 24.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 651 | D | 32.2 | Very low | 32.6 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -176 | 86.1 | 157.8 | -100.1 | -25.3 | 0 | 0 | 0 | 110.9 | ||||
| 652 | V | 32.8 | Very low | 32.5 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -129.7 | 103.8 | 161.4 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | M654 | V652-M654 PolarHBondContact O-N 3.35Å; V652-M654 VanDerWaalsContact O-N 3.12Å | ||
| 653 | S | 34.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -50 | 111.7 | 172.6 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | K655 | S653-K655 PolarHBondContact O-N 3.32Š| ||
| 654 | M | 31.7 | Very low | 32.5 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 74.5 | 170.3 | -73.9 | -87.7 | -80.5 | 0 | 0 | 110.3 | V652 S656 | V652-M654 PolarHBondContact O-N 3.35Å; V652-M654 VanDerWaalsContact O-N 3.12Å; M654-S656 PolarHBondContact O-N 3.39Å | ||
| 655 | K | 32 | Very low | 32.5 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 103.6 | 160.7 | -83.7 | -172 | 174.6 | -177.5 | 0 | 108.6 | S653 E657 | S653-K655 PolarHBondContact O-N 3.32Å; K655-E657 PolarHBondContact O-N 3.35Å | ||
| 656 | S | 31.3 | Very low | 32.5 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -72.1 | 105 | 172.2 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | M654 | M654-S656 PolarHBondContact O-N 3.39Š| ||
| 657 | E | 31.6 | Very low | 32.4 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -109.7 | 106.9 | 161 | -84.4 | -174.4 | 161.9 | 0 | 0 | 110.2 | K655 T659 | K655-E657 PolarHBondContact O-N 3.35Å; E657-T659 PolarHBondContact O-N 3.08Å | ||
| 658 | N | 31.3 | Very low | 32.4 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -68.1 | 109.6 | 166.8 | -78.2 | -27.3 | 0 | 0 | 0 | 109.4 | ||||
| 659 | T | 33.6 | Very low | 32.5 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -124.5 | 100.4 | 149.4 | 53.8 | 0 | 0 | 0 | 0 | 110 | E657 S661 | E657-T659 PolarHBondContact O-N 3.08Å; T659-S661 PolarHBondContact O-N 2.88Å | ||
| 660 | S | 31.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -10.4 | 121.4 | 148.3 | 51.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 661 | S | 34.2 | Very low | 33 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | -178.2 | 133.6 | 117.8 | -79.6 | 0 | 0 | 0 | 0 | 112.7 | T659 | T659-S661 PolarHBondContact O-N 2.88Š| |||
| 662 | T | 31.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | 50.9 | 108.8 | 150.2 | 58.8 | 0 | 0 | 0 | 0 | 119 | N664 | T662-N664 PolarHBondContact O-N 3.3Å; T662-N664 VanDerWaalsContact O-N 3.16Å | ||
| 663 | S | 32 | Very low | 33.4 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -53.7 | 112.9 | 154.7 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 664 | N | 33.4 | Very low | 33.8 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -118.8 | 108.4 | 160.7 | -84.6 | -46.1 | 0 | 0 | 0 | 108.6 | T662 | T662-N664 PolarHBondContact O-N 3.3Å; T662-N664 VanDerWaalsContact O-N 3.16Å | ||
| 665 | L | 32.6 | Very low | 34.1 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -62.6 | 166 | 168.1 | -79 | 81.5 | 0 | 0 | 0 | 110.5 | ||||
| 666 | S | 31.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | 72.7 | 80.7 | 165.2 | 72.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 667 | R | 32.4 | Very low | 34.4 | Very low | 250 Ų | 250 | 143.9 Ų | 143.9 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | trans | -128.9 | 77.1 | 147 | -91 | -171.9 | 164.2 | -179.9 | -7.1 | 111.2 | ||||
| 668 | S | 32.2 | Very low | 34.3 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 53% | 0.531 | 78% | 0.782 | S | S | . | * | trans | -71.9 | 136.2 | 157.7 | -52.5 | 0 | 0 | 0 | 0 | 108.8 | L670 | S668-L670 PolarHBondContact O-N 3.46Š| ||
| 669 | P | 33.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 12.4 | -175.3 | -22.6 | 34.5 | 0 | 0 | 0 | 117 | ||
| 670 | L | 37 | Very low | 34.7 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 5.2 | -167.1 | -87.2 | 162.8 | 0 | 0 | 0 | 115.4 | S668 | S668-L670 PolarHBondContact O-N 3.46Š|
| 671 | K | 40.1 | Very low | 34.6 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -98.4 | -3.9 | -179.6 | -89.4 | -172.7 | 173.2 | -177.4 | 0 | 115.9 | ||
| 672 | E | 37.3 | Very low | 34.7 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -8.9 | -175.1 | -152.3 | 153.6 | -139.4 | 0 | 0 | 113.9 | ||
| 673 | L | 36.9 | Very low | 34.8 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -4.5 | -176.7 | -117.1 | 133.9 | 0 | 0 | 0 | 115.3 | ||
| 674 | I | 42.1 | Very low | 34.9 | Very low | 140 Ų | 140 | 150 Ų | 150 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -106.9 | -18.4 | -175.8 | -67.4 | 174.6 | 0 | 0 | 0 | 112.9 | ||
| 675 | N | 37.8 | Very low | 35 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -93 | 7 | -174.9 | -92.4 | 23.7 | 0 | 0 | 0 | 115.9 | ||
| 676 | N | 34.5 | Very low | 35 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -102.2 | 24.5 | -176.4 | -84.8 | -4.2 | 0 | 0 | 0 | 115.1 | ||||
| 677 | N | 35.3 | Very low | 35.2 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -112.4 | 114.8 | 166.3 | -92.9 | -28.7 | 0 | 0 | 0 | 110.8 | I679 | N677-I679 PolarHBondContact O-N 2.97Š|
| 678 | N | 30.5 | Very low | 35.5 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -50.6 | 108.1 | 170.9 | -88.7 | -28.1 | 0 | 0 | 0 | 111.3 | ||||
| 679 | I | 37.5 | Very low | 35.5 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -120.3 | 113.6 | 153.3 | -62.4 | -178.4 | 0 | 0 | 0 | 105.9 | N677 | N677-I679 PolarHBondContact O-N 2.97Š| ||
| 680 | N | 35.9 | Very low | 35.5 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -62.3 | 135.1 | -174.8 | -63 | -57.2 | 0 | 0 | 0 | 111.4 | V682 | N680-V682 PolarHBondContact O-N 3.4Å; N680-V682 VanDerWaalsContact O-N 3.07Å | ||
| 681 | D | 28.8 | Very low | 35.2 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -54.4 | 108.5 | 160.5 | -83.1 | -52.7 | 0 | 0 | 0 | 110.6 | ||||
| 682 | V | 36.3 | Very low | 35 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -138.4 | 100.6 | 154.2 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | N680 I684 | N680-V682 PolarHBondContact O-N 3.4Å; N680-V682 VanDerWaalsContact O-N 3.07Å; V682-I684 HydrophobicContact CG1-CG1 4.33Å; V682-I684 PolarHBondContact O-N 3.32Å | ||
| 683 | N | 33.3 | Very low | 34.9 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -58.8 | 118.4 | 166.4 | -75.9 | -67.1 | 0 | 0 | 0 | 111.1 | ||||
| 684 | I | 34.7 | Very low | 34.6 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -141.4 | 120.8 | 151.2 | -54.4 | -177.8 | 0 | 0 | 0 | 108.5 | V682 | V682-I684 HydrophobicContact CG1-CG1 4.33Å; V682-I684 PolarHBondContact O-N 3.32Å | ||
| 685 | P | 36.2 | Very low | 34.2 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -85.9 | 161.4 | 179.8 | 34.9 | -35.3 | 0 | 0 | 0 | 113.5 | ||||
| 686 | D | 31.8 | Very low | 34 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -21.1 | 120.8 | 173.5 | -52.7 | -42.5 | 0 | 0 | 0 | 117.9 | ||||
| 687 | N | 36.1 | Very low | 34.1 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | 168.7 | 153.3 | 100.3 | -92.1 | -64.5 | 0 | 0 | 0 | 114.2 | |||||
| 688 | N | 38.1 | Very low | 34.1 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | 76.8 | 106.6 | 150.6 | -69.2 | -27.3 | 0 | 0 | 0 | 122.5 | ||||
| 689 | I | 32.6 | Very low | 34.3 | Very low | 140 Ų | 140 | 142 Ų | 142 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | 82.3 | 143 | 118.7 | -64.5 | 165.7 | 0 | 0 | 0 | 119.4 | |||||
| 690 | T | 33.6 | Very low | 34 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 74.4 | 101.8 | 166.2 | 33.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 691 | T | 30.1 | Very low | 34 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -16.7 | 128.7 | 130.5 | 50.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 692 | N | 36.2 | Very low | 34.2 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -167 | 104.8 | 137.5 | -87 | -19.2 | 0 | 0 | 0 | 105.3 | ||||
| 693 | D | 33.8 | Very low | 34.2 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | 96.7 | 118.9 | 97.8 | -89.3 | -20.1 | 0 | 0 | 0 | 112.5 | S695 | D693-S695 PolarHBondContact O-N 2.98Š| |||
| 694 | F | 31.3 | Very low | 34.4 | Very low | 226 Ų | 226 | 147 Ų | 147 | 99% | 0.991 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 113.4 | 173.9 | -88.1 | -101.4 | 0 | 0 | 0 | 110.2 | ||||
| 695 | S | 34.7 | Very low | 34.4 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -127.9 | 107.6 | 161.1 | 69.3 | 0 | 0 | 0 | 0 | 112 | D693 | D693-S695 PolarHBondContact O-N 2.98Š| ||
| 696 | N | 31.8 | Very low | 34.3 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -4.4 | 128.8 | 148.3 | -102.4 | -11.1 | 0 | 0 | 0 | 116.2 | ||||
| 697 | N | 36.6 | Very low | 34.3 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | -175.9 | 116.1 | 109.6 | -88.9 | -23.9 | 0 | 0 | 0 | 114.2 | |||||
| 698 | Q | 36.6 | Very low | 34.2 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | 48.2 | 122.8 | 133.3 | -72.6 | 179.1 | -25.5 | 0 | 0 | 123.4 | ||||
| 699 | S | 33.9 | Very low | 33.9 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | 91.3 | 81.4 | 122.9 | -163.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 700 | C | 31.8 | Very low | 34 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | 43.3 | 133 | 118.9 | -55.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 701 | H | 34.8 | Very low | 34.2 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 78.6 | 107.9 | 148.8 | -75.9 | -54.9 | 0 | 0 | 0 | 120.9 | ||||
| 702 | E | 33.9 | Very low | 34.4 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | -138.4 | 127.2 | 119.6 | -101.9 | 176.6 | -176.1 | 0 | 0 | 108.7 | |||||
| 703 | H | 37 | Very low | 34.1 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -155.1 | 115.2 | 170.9 | -124.5 | -69.7 | 0 | 0 | 0 | 108.7 | ||||
| 704 | N | 37.6 | Very low | 34 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -103.1 | 137 | 170.7 | -79.8 | -35.4 | 0 | 0 | 0 | 109 | ||||
| 705 | G | 34.1 | Very low | 34.2 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 147 | 66.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 706 | I | 34.6 | Very low | 34 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 61 | 76 | 144 | -50.7 | 169.4 | 0 | 0 | 0 | 115.6 | ||||
| 707 | T | 31.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | 65.2 | 101.4 | 95.5 | 59.4 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 708 | T | 32.5 | Very low | 34.3 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -134.3 | 142.6 | 137.2 | -50 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 709 | T | 31.7 | Very low | 34.4 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -79 | 131.9 | -159.2 | 43.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 710 | V | 36 | Very low | 34.5 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -125.9 | 134.3 | 163 | -176.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 711 | P | 36.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -73.1 | 150.3 | -174.4 | 28.8 | -35.4 | 0 | 0 | 0 | 113.4 | ||||
| 712 | P | 34.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -91.8 | 135.2 | -167.8 | 34.2 | -35.3 | 0 | 0 | 0 | 115.8 | ||||
| 713 | V | 31.3 | Very low | 35 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 45.7 | 105.3 | 135.7 | -168.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 714 | S | 30.9 | Very low | 35 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 164 | 137.8 | 123.2 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 715 | S | 35.5 | Very low | 35 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -163.8 | 148.3 | 42.1 | 42 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 716 | S | 31.6 | Very low | 35.2 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 17.4 | 124.5 | 156.1 | 55.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 717 | P | 37.7 | Very low | 35.3 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -95.6 | 117.1 | 142.6 | 32.4 | -25.6 | 0 | 0 | 0 | 110.7 | K719 | P717-K719 PolarHBondContact O-N 3.41Š| ||
| 718 | T | 35.7 | Very low | 35.7 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -63.8 | 111 | 179.5 | -14.1 | 0 | 0 | 0 | 0 | 110.9 | S720 | T718-S720 PolarHBondContact O-N 3.38Š| ||
| 719 | K | 39 | Very low | 36 | Very low | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -70.7 | 94.5 | 165.6 | -79.6 | -174.8 | 177.5 | 177.2 | 0 | 109 | P717 K721 | P717-K719 PolarHBondContact O-N 3.41Å; K719-K721 PolarHBondContact O-N 2.77Å | ||
| 720 | S | 36.6 | Very low | 36.3 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 74.2 | 170.1 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | T718 S722 | T718-S720 PolarHBondContact O-N 3.38Å; S720-S722 PolarHBondContact O-N 2.87Å | ||
| 721 | K | 37.3 | Very low | 36.5 | Very low | 165 Ų | 165 | 129 Ų | 129 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -73.1 | 81.5 | 162.2 | -84.7 | -178.7 | 164.1 | -173 | 0 | 108.1 | K719 F723 | K719-K721 PolarHBondContact O-N 2.77Å; K721-F723 HydrophobicContact CB-CD2 4.08Å; K721-F723 HydrophobicContact CB-CE2 4.38Å; K721-F723 HydrophobicContact CD-CD2 4.44Å; K721-F723 HydrophobicContact CD-CE2 4.02Å; K721-F723 HydrophobicContact CG-CE2 4.34Å; K721-F723 PolarHBondContact O-N 3.36Å | ||
| 722 | S | 34.2 | Very low | 36.6 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 71.3 | 164.8 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | S720 I724 | S720-S722 PolarHBondContact O-N 2.87Å; S722-I724 VanDerWaalsContact C-N 3.32Å; S722-I724 PolarHBondContact O-N 3.18Å | ||
| 723 | F | 38 | Very low | 37.2 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -65.4 | 100.4 | 158.6 | -86.9 | -80.9 | 0 | 0 | 0 | 107.1 | K721 S725 | K721-F723 HydrophobicContact CB-CD2 4.08Å; K721-F723 HydrophobicContact CB-CE2 4.38Å; K721-F723 HydrophobicContact CD-CD2 4.44Å; K721-F723 HydrophobicContact CD-CE2 4.02Å; K721-F723 HydrophobicContact CG-CE2 4.34Å; K721-F723 PolarHBondContact O-N 3.36Å; F723-S725 PolarHBondContact O-N 2.89Å | ||
| 724 | I | 37.4 | Very low | 37.9 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -65.6 | 90.7 | 164.8 | -55.9 | 178.8 | 0 | 0 | 0 | 106 | S722 I726 | S722-I724 VanDerWaalsContact C-N 3.32Å; S722-I724 PolarHBondContact O-N 3.18Å; I724-I726 HydrophobicContact CG2-CD1 4.4Å; I724-I726 HydrophobicContact CG2-CG1 3.7Å; I724-I726 PolarHBondContact O-N 3.3Å | ||
| 725 | S | 37 | Very low | 38.9 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -72.2 | 86.7 | 170.7 | -167.7 | 0 | 0 | 0 | 0 | 107.5 | F723 N727 | F723-S725 PolarHBondContact O-N 2.89Å; S725-N727 PolarHBondContact O-N 2.95Å | ||
| 726 | I | 39.1 | Very low | 40 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | trans | -68.6 | 92.2 | 170 | -56.8 | -176.1 | 0 | 0 | 0 | 106.6 | I724 N728 | I724-I726 HydrophobicContact CG2-CD1 4.4Å; I724-I726 HydrophobicContact CG2-CG1 3.7Å; I724-I726 PolarHBondContact O-N 3.3Å; I726-N728 PolarHBondContact O-N 3.27Å | ||
| 727 | N | 37.4 | Very low | 41.8 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -68.6 | 77.8 | 174.2 | -179.2 | 22.4 | 0 | 0 | 0 | 109.3 | S725 N729 | S725-N727 PolarHBondContact O-N 2.95Å; N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 PolarHBondContact OD1-ND2 3.32Å | ||
| 728 | N | 38.9 | Very low | 43.5 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -74.7 | 71.3 | 173.6 | -108.9 | 7.1 | 0 | 0 | 0 | 110 | I726 | I726-N728 PolarHBondContact O-N 3.27Š| ||
| 729 | N | 39.1 | Very low | 45.4 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | trans | -115.6 | 126.5 | 164.7 | -83.4 | -56.8 | 0 | 0 | 0 | 109.2 | N727 | N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 PolarHBondContact OD1-ND2 3.32Å | ||
| 730 | N | 39.1 | Very low | 47.3 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 89.1 | 109.4 | 172.8 | -55.6 | -25.6 | 0 | 0 | 0 | 118.7 | ||
| 731 | S | 40 | Very low | 49.4 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | trans | 67.6 | 112.9 | 139.3 | 60.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 732 | N | 39.4 | Very low | 51.5 | Low | 163 Ų | 163 | 121.6 Ų | 121.6 | 87% | 0.872 | 65% | 0.652 | S | S | * | * | trans | 50.7 | 69.9 | 138.1 | -62.3 | -3.3 | 0 | 0 | 0 | 117.3 | ||||
| 733 | I | 45.4 | Very low | 53.9 | Low | 142 Ų | 142 | 119.6 Ų | 119.6 | 73% | 0.728 | 64% | 0.638 | S | S | * | * | trans | -116.7 | 117.4 | 146.2 | -56.6 | -177.3 | 0 | 0 | 0 | 107.4 | E735 | I733-E735 HydrophobicContact CB-CG 4.47Å; I733-E735 HydrophobicContact CG2-CG 3.8Å; I733-E735 PolarHBondContact O-N 3.34Å | ||
| 734 | I | 46.6 | Very low | 56.2 | Low | 166 Ų | 166 | 116 Ų | 116 | 85% | 0.851 | 62% | 0.622 | S | S | * | * | trans | -74.4 | 75.4 | 168.2 | -58.1 | 171.8 | 0 | 0 | 0 | 105.9 | N736 | I734-N736 PolarHBondContact O-N 2.95Š| ||
| 735 | E | 52.8 | Low | 58.6 | Low | 132 Ų | 132 | 112.8 Ų | 112.8 | 62% | 0.617 | 60% | 0.604 | S | S | * | * | trans | -65.5 | 119.8 | 166 | -72 | -168.6 | 154.4 | 0 | 0 | 107.2 | I733 P737 I740 | I733-E735 HydrophobicContact CB-CG 4.47Å; I733-E735 HydrophobicContact CG2-CG 3.8Å; I733-E735 PolarHBondContact O-N 3.34Å; E735-P737 WeakPolarHBondContact O-CD 3.26Å; E735-I740 HydrophobicContact CB-CD1 3.88Å; E735-I740 HydrophobicContact CB-CG1 4.33Å | ||
| 736 | N | 58.6 | Low | 61.2 | Low | 65 Ų | 65 | 112.2 Ų | 112.2 | 35% | 0.348 | 59% | 0.591 | S | S | . | * | trans | -51.3 | 118 | -173.5 | -177.1 | 9.9 | 0 | 0 | 0 | 109.1 | I734 E738 N739 I740 | I734-N736 PolarHBondContact O-N 2.95Å; N736-E738 PolarHBondContact ND2-OE2 2.96Å; N736-E738 PolarHBondContact O-N 3.19Å; N736-E738 PolarHBondContact OD1-N 3.49Å; N736-N739 HydrophobicContact CB-CB 4.21Å; N736-N739 WeakPolarHBondContact O-CA 3.47Å; N736-N739 WeakPolarHBondContact O-CB 3.15Å; N736-N739 PolarHBondContact O-N 3.27Å; N736-I740 PolarHBondContact O-N 3.45Å | ||
| 737 | P | 67.9 | Low | 63.7 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 58% | 0.584 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.3 | -26.5 | -176.7 | 21.3 | -33.4 | 0 | 0 | 0 | 112.2 | E735 I740 E741 | E735-P737 WeakPolarHBondContact O-CD 3.26Å; P737-I740 PolarHBondContact O-N 2.91Å; P737-E741 PolarHBondContact O-N 3.27Å |
| 738 | E | 73.7 | Confident | 66.3 | Low | 137 Ų | 137 | 111 Ų | 111 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.9 | -40 | 171.7 | -58.2 | 176.7 | 147.7 | 0 | 0 | 112.7 | N736 E741 M742 | N736-E738 PolarHBondContact ND2-OE2 2.96Å; N736-E738 PolarHBondContact O-N 3.19Å; N736-E738 PolarHBondContact OD1-N 3.49Å; E738-E741 PolarHBondContact O-N 2.86Å; E738-M742 WeakPolarHBondContact O-CB 3.32Å; E738-M742 PolarHBondContact O-N 3.17Å |
| 739 | N | 76.3 | Confident | 68.9 | Low | 96 Ų | 96 | 108 Ų | 108 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.8 | -38.1 | 175 | -84.7 | 4.1 | 0 | 0 | 0 | 111.5 | N736 S743 | N736-N739 HydrophobicContact CB-CB 4.21Å; N736-N739 WeakPolarHBondContact O-CA 3.47Å; N736-N739 WeakPolarHBondContact O-CB 3.15Å; N736-N739 PolarHBondContact O-N 3.27Å; N739-S743 VanDerWaalsContact O-CB 3.27Å; N739-S743 WeakPolarHBondContact O-CB 3.41Å; N739-S743 PolarHBondContact O-N 3.49Å; N739-S743 PolarHBondContact O-OG 3.02Å |
| 740 | I | 79.2 | Confident | 71.5 | Confident | 67 Ų | 67 | 107 Ų | 107 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.4 | -45.5 | 176.8 | -64.7 | 176.5 | 0 | 0 | 0 | 110.2 | E735 N736 P737 S743 K744 | E735-I740 HydrophobicContact CB-CD1 3.88Å; E735-I740 HydrophobicContact CB-CG1 4.33Å; N736-I740 PolarHBondContact O-N 3.45Å; P737-I740 PolarHBondContact O-N 2.91Å; I740-S743 PolarHBondContact O-N 2.88Å; I740-K744 HydrophobicContact CG2-CD 4.22Å; I740-K744 WeakPolarHBondContact O-CG 3.44Å; I740-K744 PolarHBondContact O-N 3.1Å |
| 741 | E | 79.7 | Confident | 74 | Confident | 80 Ų | 80 | 105.4 Ų | 105.4 | 37% | 0.374 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.9 | -33.4 | 179.7 | -158 | 59.6 | -145.2 | 0 | 0 | 112.6 | P737 E738 K744 Q745 R748 | P737-E741 PolarHBondContact O-N 3.27Å; E738-E741 PolarHBondContact O-N 2.86Å; E741-K744 PolarHBondContact O-N 3.49Å; E741-K744 WeakPolarHBondContact OE2-CD 3.36Å; E741-K744 IonicContact OE2-NZ 2.79Å; E741-K744 PolarHBondContact OE2-NZ 3Å; E741-Q745 WeakPolarHBondContact O-CB 3.23Å; E741-Q745 PolarHBondContact O-N 2.66Å; E741-R748 IonicContact OE1-CZ 2.93Å; E741-R748 IonicContact OE1-NH1 3.43Å; E741-R748 PolarHBondContact OE1-NH1 2.87Å; E741-R748 IonicContact OE1-NH2 3.99Å; E741-R748 PolarHBondContact OE1-NH2 3.16Å |
| 742 | M | 82 | Confident | 76.5 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 170.3 | -171.9 | -179.4 | -61.9 | 0 | 0 | 111.4 | E738 K744 Q745 I746 | E738-M742 WeakPolarHBondContact O-CB 3.32Å; E738-M742 PolarHBondContact O-N 3.17Å; M742-K744 PolarHBondContact O-N 3.45Å; M742-Q745 PolarHBondContact O-N 3.48Å; M742-Q745 VanDerWaalsContact O-N 3.17Å; M742-I746 HydrophobicContact CG-CD1 4.16Å; M742-I746 WeakPolarHBondContact O-CG1 3.43Å; M742-I746 PolarHBondContact O-N 3.46Å |
| 743 | S | 83.8 | Confident | 79.1 | Confident | 65 Ų | 65 | 101.4 Ų | 101.4 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176 | -58.4 | 0 | 0 | 0 | 0 | 112 | N739 I740 Q745 I746 L747 | N739-S743 VanDerWaalsContact O-CB 3.27Å; N739-S743 WeakPolarHBondContact O-CB 3.41Å; N739-S743 PolarHBondContact O-N 3.49Å; N739-S743 PolarHBondContact O-OG 3.02Å; I740-S743 PolarHBondContact O-N 2.88Å; S743-Q745 VanDerWaalsContact C-N 3.34Å; S743-I746 PolarHBondContact O-N 2.84Å; S743-L747 WeakPolarHBondContact O-CB 3.29Å; S743-L747 VanDerWaalsContact O-CG 3.29Å; S743-L747 WeakPolarHBondContact O-CG 3.44Å; S743-L747 PolarHBondContact O-N 3.29Å |
| 744 | K | 86.6 | Confident | 81.5 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 40% | 0.4 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 171.9 | -75.1 | 162.2 | 175.2 | 166.3 | 0 | 112.1 | I740 E741 M742 L747 R748 | I740-K744 HydrophobicContact CG2-CD 4.22Å; I740-K744 WeakPolarHBondContact O-CG 3.44Å; I740-K744 PolarHBondContact O-N 3.1Å; E741-K744 PolarHBondContact O-N 3.49Å; E741-K744 WeakPolarHBondContact OE2-CD 3.36Å; E741-K744 IonicContact OE2-NZ 2.79Å; E741-K744 PolarHBondContact OE2-NZ 3Å; M742-K744 PolarHBondContact O-N 3.45Å; K744-L747 PolarHBondContact O-N 3.47Å; K744-R748 VanDerWaalsContact O-CG 3.3Å; K744-R748 WeakPolarHBondContact O-CG 3.35Å; K744-R748 PolarHBondContact O-N 3Å |
| 745 | Q | 88.6 | Confident | 83.8 | Confident | 79 Ų | 79 | 98 Ų | 98 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 179 | -169.5 | 56 | 39.2 | 0 | 0 | 111.2 | E741 M742 S743 L747 R748 D749 | E741-Q745 WeakPolarHBondContact O-CB 3.23Å; E741-Q745 PolarHBondContact O-N 2.66Å; M742-Q745 PolarHBondContact O-N 3.48Å; M742-Q745 VanDerWaalsContact O-N 3.17Å; S743-Q745 VanDerWaalsContact C-N 3.34Å; Q745-L747 VanDerWaalsContact C-N 3.29Å; Q745-L747 PolarHBondContact O-N 2.88Å; Q745-R748 WeakPolarHBondContact O-CB 3.45Å; Q745-R748 PolarHBondContact O-N 3.39Å; Q745-R748 VanDerWaalsContact O-N 3.07Å; Q745-R748 VanDerWaalsContact OE1-NH1 3.11Å; Q745-D749 PolarHBondContact NE2-OD1 2.82Å; Q745-D749 PolarHBondContact O-N 3.49Å |
| 746 | I | 90.8 | Very high | 85.7 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.1 | -45.6 | 172.3 | -67.7 | 164.1 | 0 | 0 | 0 | 110.6 | M742 S743 D749 E750 | M742-I746 HydrophobicContact CG-CD1 4.16Å; M742-I746 WeakPolarHBondContact O-CG1 3.43Å; M742-I746 PolarHBondContact O-N 3.46Å; S743-I746 PolarHBondContact O-N 2.84Å; I746-D749 PolarHBondContact O-N 3.43Å; I746-E750 WeakPolarHBondContact O-CB 3.26Å; I746-E750 PolarHBondContact O-N 3.38Å |
| 747 | L | 92.1 | Very high | 87.4 | Confident | 103 Ų | 103 | 97.9 Ų | 97.9 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 176.2 | -72.3 | 170.3 | 0 | 0 | 0 | 113.1 | S743 K744 Q745 I751 | S743-L747 WeakPolarHBondContact O-CB 3.29Å; S743-L747 VanDerWaalsContact O-CG 3.29Å; S743-L747 WeakPolarHBondContact O-CG 3.44Å; S743-L747 PolarHBondContact O-N 3.29Å; K744-L747 PolarHBondContact O-N 3.47Å; Q745-L747 VanDerWaalsContact C-N 3.29Å; Q745-L747 PolarHBondContact O-N 2.88Å; L747-I751 WeakPolarHBondContact O-CB 3.49Å; L747-I751 WeakPolarHBondContact O-CD1 3.46Å; L747-I751 WeakPolarHBondContact O-CG1 3.28Å; L747-I751 PolarHBondContact O-N 3.15Å |
| 748 | R | 92.2 | Very high | 88.6 | Confident | 120 Ų | 120 | 96.3 Ų | 96.3 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 173.8 | -74.1 | 172.7 | -168.2 | 133.8 | 4.7 | 111.2 | E741 K744 Q745 I751 A752 | E741-R748 IonicContact OE1-CZ 2.93Å; E741-R748 IonicContact OE1-NH1 3.43Å; E741-R748 PolarHBondContact OE1-NH1 2.87Å; E741-R748 IonicContact OE1-NH2 3.99Å; E741-R748 PolarHBondContact OE1-NH2 3.16Å; K744-R748 VanDerWaalsContact O-CG 3.3Å; K744-R748 WeakPolarHBondContact O-CG 3.35Å; K744-R748 PolarHBondContact O-N 3Å; Q745-R748 WeakPolarHBondContact O-CB 3.45Å; Q745-R748 PolarHBondContact O-N 3.39Å; Q745-R748 VanDerWaalsContact O-N 3.07Å; Q745-R748 VanDerWaalsContact OE1-NH1 3.11Å; R748-I751 PolarHBondContact O-N 3.42Å; R748-A752 WeakPolarHBondContact O-CB 3.34Å; R748-A752 PolarHBondContact O-N 2.87Å |
| 749 | D | 92.7 | Very high | 89.6 | Confident | 91 Ų | 91 | 94 Ų | 94 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 179.6 | -63 | -21.5 | 0 | 0 | 0 | 110.9 | Q745 I746 A752 K753 | Q745-D749 PolarHBondContact NE2-OD1 2.82Å; Q745-D749 PolarHBondContact O-N 3.49Å; I746-D749 PolarHBondContact O-N 3.43Å; D749-A752 PolarHBondContact O-N 2.9Å; D749-K753 WeakPolarHBondContact O-CB 3.29Å; D749-K753 PolarHBondContact O-N 2.97Å |
| 750 | E | 93.2 | Very high | 90.4 | Very high | 97 Ų | 97 | 94.4 Ų | 94.4 | 45% | 0.453 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 174.2 | -173.9 | 144.9 | -138.5 | 0 | 0 | 112.5 | I746 A752 K753 L754 | I746-E750 WeakPolarHBondContact O-CB 3.26Å; I746-E750 PolarHBondContact O-N 3.38Å; E750-A752 VanDerWaalsContact C-N 3.32Å; E750-A752 PolarHBondContact O-N 3.49Å; E750-K753 PolarHBondContact O-N 2.93Å; E750-L754 HydrophobicContact CG-CD1 4.23Å; E750-L754 WeakPolarHBondContact O-CB 3.35Å; E750-L754 VanDerWaalsContact O-CG 3.32Å; E750-L754 WeakPolarHBondContact O-CG 3.3Å; E750-L754 PolarHBondContact O-N 2.92Å |
| 751 | I | 92.7 | Very high | 91.2 | Very high | 115 Ų | 115 | 98.9 Ų | 98.9 | 59% | 0.59 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -40.6 | 170.5 | -72.3 | 164.2 | 0 | 0 | 0 | 110.9 | L747 R748 L754 K755 | L747-I751 WeakPolarHBondContact O-CB 3.49Å; L747-I751 WeakPolarHBondContact O-CD1 3.46Å; L747-I751 WeakPolarHBondContact O-CG1 3.28Å; L747-I751 PolarHBondContact O-N 3.15Å; R748-I751 PolarHBondContact O-N 3.42Å; I751-L754 PolarHBondContact O-N 3.14Å; I751-K755 VanDerWaalsContact O-CB 3.31Å; I751-K755 WeakPolarHBondContact O-CB 3.37Å; I751-K755 PolarHBondContact O-N 3.39Å |
| 752 | A | 92.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 101.4 Ų | 101.4 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R748 D749 E750 K755 N756 | R748-A752 WeakPolarHBondContact O-CB 3.34Å; R748-A752 PolarHBondContact O-N 2.87Å; D749-A752 PolarHBondContact O-N 2.9Å; E750-A752 VanDerWaalsContact C-N 3.32Å; E750-A752 PolarHBondContact O-N 3.49Å; A752-K755 PolarHBondContact O-N 2.84Å; A752-N756 VanDerWaalsContact O-CG 3.26Å; A752-N756 PolarHBondContact O-N 3.46Å; A752-N756 PolarHBondContact O-ND2 3.35Å |
| 753 | K | 94.4 | Very high | 92.5 | Very high | 132 Ų | 132 | 98.5 Ų | 98.5 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.7 | -50.8 | 173.5 | -177.8 | -172.3 | 171.1 | -164.6 | 0 | 111.7 | D749 E750 K755 N756 E757 | D749-K753 WeakPolarHBondContact O-CB 3.29Å; D749-K753 PolarHBondContact O-N 2.97Å; E750-K753 PolarHBondContact O-N 2.93Å; K753-K755 VanDerWaalsContact C-N 3.27Å; K753-K755 PolarHBondContact O-N 3.38Å; K753-N756 PolarHBondContact O-N 3.33Å; K753-E757 WeakPolarHBondContact O-CB 3.3Å; K753-E757 PolarHBondContact O-N 3.46Å |
| 754 | L | 94.3 | Very high | 93 | Very high | 99 Ų | 99 | 98.7 Ų | 98.7 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -34.1 | 178.1 | -72.8 | 170.8 | 0 | 0 | 0 | 112.3 | E750 I751 E757 A758 | E750-L754 HydrophobicContact CG-CD1 4.23Å; E750-L754 WeakPolarHBondContact O-CB 3.35Å; E750-L754 VanDerWaalsContact O-CG 3.32Å; E750-L754 WeakPolarHBondContact O-CG 3.3Å; E750-L754 PolarHBondContact O-N 2.92Å; I751-L754 PolarHBondContact O-N 3.14Å; L754-E757 PolarHBondContact O-N 3.03Å; L754-A758 WeakPolarHBondContact O-CB 3.49Å; L754-A758 PolarHBondContact O-N 3.34Å |
| 755 | K | 94.6 | Very high | 93.4 | Very high | 137 Ų | 137 | 99.8 Ų | 99.8 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -46.6 | 174.3 | -173.1 | 178.8 | 177.8 | -175.4 | 0 | 111.9 | I751 A752 K753 E757 A758 D759 | I751-K755 VanDerWaalsContact O-CB 3.31Å; I751-K755 WeakPolarHBondContact O-CB 3.37Å; I751-K755 PolarHBondContact O-N 3.39Å; A752-K755 PolarHBondContact O-N 2.84Å; K753-K755 VanDerWaalsContact C-N 3.27Å; K753-K755 PolarHBondContact O-N 3.38Å; K755-E757 VanDerWaalsContact C-N 3.26Å; K755-E757 PolarHBondContact O-N 3.38Å; K755-A758 PolarHBondContact O-N 3.39Å; K755-D759 PolarHBondContact O-N 2.97Å |
| 756 | N | 93.6 | Very high | 93.7 | Very high | 114 Ų | 114 | 102.4 Ų | 102.4 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -37.6 | 175.1 | -68.8 | -21.4 | 0 | 0 | 0 | 111.6 | A752 K753 D759 L760 | A752-N756 VanDerWaalsContact O-CG 3.26Å; A752-N756 PolarHBondContact O-N 3.46Å; A752-N756 PolarHBondContact O-ND2 3.35Å; K753-N756 PolarHBondContact O-N 3.33Å; N756-D759 PolarHBondContact O-N 2.95Å; N756-L760 WeakPolarHBondContact O-CB 3.44Å; N756-L760 PolarHBondContact O-N 2.67Å |
| 757 | E | 94 | Very high | 93.8 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 174.2 | -174 | 175.1 | 165.7 | 0 | 0 | 111.8 | K753 L754 K755 D759 L760 W761 | K753-E757 WeakPolarHBondContact O-CB 3.3Å; K753-E757 PolarHBondContact O-N 3.46Å; L754-E757 PolarHBondContact O-N 3.03Å; K755-E757 VanDerWaalsContact C-N 3.26Å; K755-E757 PolarHBondContact O-N 3.38Å; E757-D759 PolarHBondContact O-N 3.05Å; E757-L760 WeakPolarHBondContact O-CB 3.42Å; E757-L760 PolarHBondContact O-N 2.91Å; E757-W761 PolarHBondContact O-N 3.38Å; E757-W761 PolarHBondContact OE1-NE1 3.34Å |
| 758 | A | 93.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 104.7 Ų | 104.7 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L754 K755 W761 K762 | L754-A758 WeakPolarHBondContact O-CB 3.49Å; L754-A758 PolarHBondContact O-N 3.34Å; K755-A758 PolarHBondContact O-N 3.39Å; A758-W761 PolarHBondContact O-N 2.95Å; A758-K762 WeakPolarHBondContact O-CB 3.39Å; A758-K762 PolarHBondContact O-N 3.2Å |
| 759 | D | 93.7 | Very high | 94 | Very high | 88 Ų | 88 | 104.5 Ų | 104.5 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 174.1 | -76.1 | -36.8 | 0 | 0 | 0 | 111.7 | K755 N756 E757 K762 S763 | K755-D759 PolarHBondContact O-N 2.97Å; N756-D759 PolarHBondContact O-N 2.95Å; E757-D759 PolarHBondContact O-N 3.05Å; D759-K762 PolarHBondContact O-N 3.02Å; D759-S763 PolarHBondContact O-N 3.39Å |
| 760 | L | 94.4 | Very high | 94 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -50.4 | 170.9 | 178 | 64.3 | 0 | 0 | 0 | 111.7 | N756 E757 K762 S763 V764 | N756-L760 WeakPolarHBondContact O-CB 3.44Å; N756-L760 PolarHBondContact O-N 2.67Å; E757-L760 WeakPolarHBondContact O-CB 3.42Å; E757-L760 PolarHBondContact O-N 2.91Å; L760-K762 PolarHBondContact O-N 2.9Å; L760-S763 WeakPolarHBondContact O-CA 3.35Å; L760-S763 WeakPolarHBondContact O-CB 3.33Å; L760-S763 PolarHBondContact O-N 3.3Å; L760-V764 HydrophobicContact CD1-CG2 4.47Å; L760-V764 WeakPolarHBondContact O-CG2 3.46Å; L760-V764 PolarHBondContact O-N 3.07Å |
| 761 | W | 94.9 | Very high | 94 | Very high | 160 Ų | 160 | 103.5 Ų | 103.5 | 61% | 0.606 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58 | -35.5 | 175.7 | -74.8 | 117 | 0 | 0 | 0 | 112.1 | E757 A758 V764 L765 | E757-W761 PolarHBondContact O-N 3.38Å; E757-W761 PolarHBondContact OE1-NE1 3.34Å; A758-W761 PolarHBondContact O-N 2.95Å; W761-V764 PolarHBondContact O-N 3.32Å; W761-L765 WeakPolarHBondContact O-CB 3.42Å; W761-L765 PolarHBondContact O-N 3.03Å |
| 762 | K | 94.9 | Very high | 94.1 | Very high | 133 Ų | 133 | 102 Ų | 102 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.3 | -30 | 174.8 | -169.6 | 175.6 | -176.3 | 177.6 | 0 | 113.2 | A758 D759 L760 K766 | A758-K762 WeakPolarHBondContact O-CB 3.39Å; A758-K762 PolarHBondContact O-N 3.2Å; D759-K762 PolarHBondContact O-N 3.02Å; L760-K762 PolarHBondContact O-N 2.9Å; K762-K766 WeakPolarHBondContact O-CG 3.43Å; K762-K766 PolarHBondContact O-N 3.42Å |
| 763 | S | 93.8 | Very high | 94.1 | Very high | 58 Ų | 58 | 103.5 Ų | 103.5 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -51.5 | 169.2 | -162.5 | 0 | 0 | 0 | 0 | 110.7 | D759 L760 L765 K766 D767 | D759-S763 PolarHBondContact O-N 3.39Å; L760-S763 WeakPolarHBondContact O-CA 3.35Å; L760-S763 WeakPolarHBondContact O-CB 3.33Å; L760-S763 PolarHBondContact O-N 3.3Å; S763-L765 PolarHBondContact O-N 2.9Å; S763-K766 WeakPolarHBondContact O-CA 3.32Å; S763-K766 WeakPolarHBondContact O-CB 3.31Å; S763-K766 PolarHBondContact O-N 2.84Å; S763-D767 PolarHBondContact O-N 3.44Å |
| 764 | V | 95 | Very high | 94.1 | Very high | 69 Ų | 69 | 100.8 Ų | 100.8 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.4 | -39 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | L760 W761 D767 Y768 | L760-V764 HydrophobicContact CD1-CG2 4.47Å; L760-V764 WeakPolarHBondContact O-CG2 3.46Å; L760-V764 PolarHBondContact O-N 3.07Å; W761-V764 PolarHBondContact O-N 3.32Å; V764-D767 PolarHBondContact O-N 3.31Å; V764-Y768 WeakPolarHBondContact O-CB 3.31Å; V764-Y768 PolarHBondContact O-N 2.82Å |
| 765 | L | 94.7 | Very high | 94 | Very high | 115 Ų | 115 | 98.1 Ų | 98.1 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -36.3 | 176.1 | -175.4 | 62 | 0 | 0 | 0 | 112.8 | W761 S763 Q769 | W761-L765 WeakPolarHBondContact O-CB 3.42Å; W761-L765 PolarHBondContact O-N 3.03Å; S763-L765 PolarHBondContact O-N 2.9Å; L765-Q769 WeakPolarHBondContact O-CB 3.45Å; L765-Q769 PolarHBondContact O-N 3.43Å |
| 766 | K | 94.6 | Very high | 93.9 | Very high | 133 Ų | 133 | 96.4 Ų | 96.4 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.4 | -42.6 | 173.5 | -74.8 | 178.4 | 172.8 | -171.1 | 0 | 111.7 | K762 S763 Y768 Q769 S770 | K762-K766 WeakPolarHBondContact O-CG 3.43Å; K762-K766 PolarHBondContact O-N 3.42Å; S763-K766 WeakPolarHBondContact O-CA 3.32Å; S763-K766 WeakPolarHBondContact O-CB 3.31Å; S763-K766 PolarHBondContact O-N 2.84Å; K766-Y768 VanDerWaalsContact C-N 3.33Å; K766-Q769 PolarHBondContact O-N 3.48Å; K766-S770 WeakPolarHBondContact O-CB 3.33Å; K766-S770 PolarHBondContact O-N 3.07Å |
| 767 | D | 93.3 | Very high | 93.8 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 178.7 | -60.7 | -32.4 | 0 | 0 | 0 | 110.5 | S763 V764 S770 T771 | S763-D767 PolarHBondContact O-N 3.44Å; V764-D767 PolarHBondContact O-N 3.31Å; D767-S770 PolarHBondContact O-N 2.96Å; D767-T771 WeakPolarHBondContact O-CB 3.29Å; D767-T771 PolarHBondContact O-N 3.06Å; D767-T771 PolarHBondContact O-OG1 3.41Å |
| 768 | Y | 94 | Very high | 93.7 | Very high | 154 Ų | 154 | 95.1 Ų | 95.1 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.8 | -48.2 | 171.1 | 179.5 | -95.4 | 0 | 0 | 0 | 112 | V764 K766 S770 T771 H772 | V764-Y768 WeakPolarHBondContact O-CB 3.31Å; V764-Y768 PolarHBondContact O-N 2.82Å; K766-Y768 VanDerWaalsContact C-N 3.33Å; Y768-S770 PolarHBondContact O-N 2.91Å; Y768-T771 PolarHBondContact O-N 3.07Å; Y768-H772 WeakPolarHBondContact O-CB 3.36Å; Y768-H772 PolarHBondContact O-N 3.28Å |
| 769 | Q | 94.2 | Very high | 93.6 | Very high | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 178.6 | -170.8 | 176 | 12.9 | 0 | 0 | 111.9 | L765 K766 T771 H772 N773 | L765-Q769 WeakPolarHBondContact O-CB 3.45Å; L765-Q769 PolarHBondContact O-N 3.43Å; K766-Q769 PolarHBondContact O-N 3.48Å; Q769-T771 VanDerWaalsContact C-N 3.35Å; Q769-H772 PolarHBondContact O-N 3.24Å; Q769-N773 PolarHBondContact O-N 3.1Å; Q769-N773 PolarHBondContact O-OD1 3.39Å |
| 770 | S | 93.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 96.1 Ų | 96.1 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 174.4 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | K766 D767 Y768 T774 | K766-S770 WeakPolarHBondContact O-CB 3.33Å; K766-S770 PolarHBondContact O-N 3.07Å; D767-S770 PolarHBondContact O-N 2.96Å; Y768-S770 PolarHBondContact O-N 2.91Å; S770-T774 WeakPolarHBondContact O-CB 3.49Å; S770-T774 PolarHBondContact O-N 2.83Å; S770-T774 VanDerWaalsContact O-N 3.08Å; S770-T774 PolarHBondContact O-OG1 3.47Å |
| 771 | T | 93.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 96.9 Ų | 96.9 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | D767 Y768 Q769 T774 A775 | D767-T771 WeakPolarHBondContact O-CB 3.29Å; D767-T771 PolarHBondContact O-N 3.06Å; D767-T771 PolarHBondContact O-OG1 3.41Å; Y768-T771 PolarHBondContact O-N 3.07Å; Q769-T771 VanDerWaalsContact C-N 3.35Å; T771-T774 WeakPolarHBondContact O-CB 3.45Å; T771-T774 PolarHBondContact O-N 2.98Å; T771-A775 PolarHBondContact O-N 3.06Å |
| 772 | H | 93.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 92.4 Ų | 92.4 | 38% | 0.384 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 176.7 | 179.3 | 39.3 | 0 | 0 | 0 | 111.8 | Y768 Q769 T774 A775 E776 | Y768-H772 WeakPolarHBondContact O-CB 3.36Å; Y768-H772 PolarHBondContact O-N 3.28Å; Q769-H772 PolarHBondContact O-N 3.24Å; H772-T774 PolarHBondContact O-N 3.04Å; H772-A775 WeakPolarHBondContact O-CB 3.17Å; H772-A775 PolarHBondContact O-N 2.93Å; H772-E776 IonicContact CE1-OE1 2.87Å; H772-E776 PolarHBondContact CE1-OE1 2.96Å; H772-E776 IonicContact NE2-OE1 2.89Å; H772-E776 PolarHBondContact O-N 2.86Å |
| 773 | N | 93.6 | Very high | 93 | Very high | 79 Ų | 79 | 91.4 Ų | 91.4 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.6 | -36.7 | 175.7 | -65.6 | 5.6 | 0 | 0 | 0 | 112.1 | Q769 T777 | Q769-N773 PolarHBondContact O-N 3.1Å; Q769-N773 PolarHBondContact O-OD1 3.39Å; N773-T777 PolarHBondContact O-N 3.44Å; N773-T777 PolarHBondContact O-OG1 2.92Å |
| 774 | T | 93.9 | Very high | 92.9 | Very high | 74 Ų | 74 | 94 Ų | 94 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | S770 T771 H772 T777 I778 | S770-T774 WeakPolarHBondContact O-CB 3.49Å; S770-T774 PolarHBondContact O-N 2.83Å; S770-T774 VanDerWaalsContact O-N 3.08Å; S770-T774 PolarHBondContact O-OG1 3.47Å; T771-T774 WeakPolarHBondContact O-CB 3.45Å; T771-T774 PolarHBondContact O-N 2.98Å; H772-T774 PolarHBondContact O-N 3.04Å; T774-T777 WeakPolarHBondContact O-CB 3.29Å; T774-T777 PolarHBondContact O-N 3.08Å; T774-I778 HydrophobicContact CG2-CD1 4.14Å; T774-I778 WeakPolarHBondContact O-CG1 3.36Å; T774-I778 PolarHBondContact O-N 3.35Å |
| 775 | A | 92.3 | Very high | 92.8 | Very high | 43 Ų | 43 | 95.6 Ų | 95.6 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T771 H772 T777 I778 I779 | T771-A775 PolarHBondContact O-N 3.06Å; H772-A775 WeakPolarHBondContact O-CB 3.17Å; H772-A775 PolarHBondContact O-N 2.93Å; A775-T777 VanDerWaalsContact C-N 3.31Å; A775-T777 PolarHBondContact O-N 3.22Å; A775-I778 PolarHBondContact O-N 3.37Å; A775-I779 VanDerWaalsContact O-CG1 3.28Å; A775-I779 WeakPolarHBondContact O-CG1 3.37Å; A775-I779 PolarHBondContact O-N 3.39Å |
| 776 | E | 91.8 | Very high | 92.5 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 173.8 | -70 | -168.2 | 146.3 | 0 | 0 | 112.2 | H772 I779 S780 | H772-E776 IonicContact CE1-OE1 2.87Å; H772-E776 PolarHBondContact CE1-OE1 2.96Å; H772-E776 IonicContact NE2-OE1 2.89Å; H772-E776 PolarHBondContact O-N 2.86Å; E776-I779 PolarHBondContact O-N 3.15Å; E776-S780 WeakPolarHBondContact O-CB 3.3Å; E776-S780 PolarHBondContact O-N 3.29Å; E776-S780 PolarHBondContact O-OG 3.42Å |
| 777 | T | 92.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 94.1 Ų | 94.1 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 174.7 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | N773 T774 A775 I779 S780 E781 | N773-T777 PolarHBondContact O-N 3.44Å; N773-T777 PolarHBondContact O-OG1 2.92Å; T774-T777 WeakPolarHBondContact O-CB 3.29Å; T774-T777 PolarHBondContact O-N 3.08Å; A775-T777 VanDerWaalsContact C-N 3.31Å; A775-T777 PolarHBondContact O-N 3.22Å; T777-I779 PolarHBondContact O-N 3.02Å; T777-S780 WeakPolarHBondContact O-CB 3.4Å; T777-S780 PolarHBondContact O-N 2.83Å; T777-E781 WeakPolarHBondContact O-CG 3.36Å; T777-E781 PolarHBondContact O-N 3.23Å |
| 778 | I | 92.5 | Very high | 92.4 | Very high | 92 Ų | 92 | 92.6 Ų | 92.6 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.2 | -67.3 | 165.5 | 0 | 0 | 0 | 111.5 | T774 A775 S780 E781 C782 | T774-I778 HydrophobicContact CG2-CD1 4.14Å; T774-I778 WeakPolarHBondContact O-CG1 3.36Å; T774-I778 PolarHBondContact O-N 3.35Å; A775-I778 PolarHBondContact O-N 3.37Å; I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 3.23Å; I778-E781 PolarHBondContact O-N 2.73Å; I778-C782 PolarHBondContact O-N 3.44Å; I778-C782 PolarHBondContact O-SG 3.13Å; I778-C782 VanDerWaalsContact O-SG 3.35Å |
| 779 | I | 91.6 | Very high | 92.3 | Very high | 94 Ų | 94 | 91.5 Ų | 91.5 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.3 | -70.3 | 165.1 | 0 | 0 | 0 | 110.6 | A775 E776 T777 C782 Q783 | A775-I779 VanDerWaalsContact O-CG1 3.28Å; A775-I779 WeakPolarHBondContact O-CG1 3.37Å; A775-I779 PolarHBondContact O-N 3.39Å; E776-I779 PolarHBondContact O-N 3.15Å; T777-I779 PolarHBondContact O-N 3.02Å; I779-C782 PolarHBondContact O-N 2.82Å; I779-Q783 WeakPolarHBondContact O-CB 3.34Å; I779-Q783 WeakPolarHBondContact O-CG 3.32Å; I779-Q783 PolarHBondContact O-N 2.87Å |
| 780 | S | 91.4 | Very high | 92.2 | Very high | 70 Ų | 70 | 90.3 Ų | 90.3 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 178 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | E776 T777 I778 L784 | E776-S780 WeakPolarHBondContact O-CB 3.3Å; E776-S780 PolarHBondContact O-N 3.29Å; E776-S780 PolarHBondContact O-OG 3.42Å; T777-S780 WeakPolarHBondContact O-CB 3.4Å; T777-S780 PolarHBondContact O-N 2.83Å; I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 3.23Å; S780-L784 WeakPolarHBondContact O-CB 3.39Å; S780-L784 PolarHBondContact O-N 3.04Å |
| 781 | E | 91.4 | Very high | 92.2 | Very high | 122 Ų | 122 | 91.6 Ų | 91.6 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -44.7 | 174.2 | -73.2 | -179.5 | 175.3 | 0 | 0 | 111.9 | T777 I778 Q783 L784 V785 | T777-E781 WeakPolarHBondContact O-CG 3.36Å; T777-E781 PolarHBondContact O-N 3.23Å; I778-E781 PolarHBondContact O-N 2.73Å; E781-Q783 PolarHBondContact O-N 2.76Å; E781-L784 PolarHBondContact O-N 3.47Å; E781-V785 WeakPolarHBondContact O-CG2 3.47Å; E781-V785 PolarHBondContact O-N 3.05Å |
| 782 | C | 90 | Very high | 92.1 | Very high | 66 Ų | 66 | 91.6 Ų | 91.6 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 174.7 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | I778 I779 L784 V785 E786 | I778-C782 PolarHBondContact O-N 3.44Å; I778-C782 PolarHBondContact O-SG 3.13Å; I778-C782 VanDerWaalsContact O-SG 3.35Å; I779-C782 PolarHBondContact O-N 2.82Å; C782-L784 VanDerWaalsContact C-N 3.31Å; C782-L784 PolarHBondContact O-N 2.95Å; C782-V785 PolarHBondContact O-N 3.5Å; C782-E786 WeakPolarHBondContact O-CG 3.48Å; C782-E786 PolarHBondContact O-N 2.87Å |
| 783 | Q | 91.6 | Very high | 92.1 | Very high | 113 Ų | 113 | 91.5 Ų | 91.5 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.9 | -73.6 | 175.9 | -3.6 | 0 | 0 | 112.2 | I779 E781 T787 | I779-Q783 WeakPolarHBondContact O-CB 3.34Å; I779-Q783 WeakPolarHBondContact O-CG 3.32Å; I779-Q783 PolarHBondContact O-N 2.87Å; E781-Q783 PolarHBondContact O-N 2.76Å; Q783-T787 WeakPolarHBondContact O-CB 3.38Å; Q783-T787 VanDerWaalsContact O-CG2 3.31Å; Q783-T787 WeakPolarHBondContact O-CG2 3.49Å; Q783-T787 PolarHBondContact O-N 3.3Å; Q783-T787 PolarHBondContact O-OG1 3.24Å |
| 784 | L | 92.5 | Very high | 92 | Very high | 112 Ų | 112 | 91.9 Ų | 91.9 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 175.1 | -177.4 | 62 | 0 | 0 | 0 | 111.9 | S780 E781 C782 T787 T788 | S780-L784 WeakPolarHBondContact O-CB 3.39Å; S780-L784 PolarHBondContact O-N 3.04Å; E781-L784 PolarHBondContact O-N 3.47Å; C782-L784 VanDerWaalsContact C-N 3.31Å; C782-L784 PolarHBondContact O-N 2.95Å; L784-T787 WeakPolarHBondContact CA-OG1 3.29Å; L784-T787 PolarHBondContact O-OG1 3.38Å; L784-T787 VanDerWaalsContact O-OG1 3.12Å; L784-T788 WeakPolarHBondContact O-CB 3.23Å; L784-T788 PolarHBondContact O-N 2.94Å; L784-T788 PolarHBondContact O-OG1 3.49Å |
| 785 | V | 92.5 | Very high | 91.9 | Very high | 103 Ų | 103 | 93.2 Ų | 93.2 | 62% | 0.624 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -44.1 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | E781 C782 T788 K789 | E781-V785 WeakPolarHBondContact O-CG2 3.47Å; E781-V785 PolarHBondContact O-N 3.05Å; C782-V785 PolarHBondContact O-N 3.5Å; V785-T788 PolarHBondContact O-N 3.29Å; V785-K789 WeakPolarHBondContact O-CB 3.36Å; V785-K789 PolarHBondContact O-N 3.24Å |
| 786 | E | 89.2 | Confident | 91.8 | Very high | 136 Ų | 136 | 94.3 Ų | 94.3 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.5 | -46.1 | 177.7 | -73.5 | 180 | 172.8 | 0 | 0 | 112.4 | C782 T788 K789 L790 | C782-E786 WeakPolarHBondContact O-CG 3.48Å; C782-E786 PolarHBondContact O-N 2.87Å; E786-T788 VanDerWaalsContact C-N 3.34Å; E786-T788 PolarHBondContact O-N 3.48Å; E786-K789 PolarHBondContact O-N 2.93Å; E786-L790 PolarHBondContact O-N 3.12Å |
| 787 | T | 92.1 | Very high | 91.8 | Very high | 81 Ų | 81 | 96.2 Ų | 96.2 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 176 | 51 | 0 | 0 | 0 | 0 | 112.2 | Q783 L784 L790 M791 | Q783-T787 WeakPolarHBondContact O-CB 3.38Å; Q783-T787 VanDerWaalsContact O-CG2 3.31Å; Q783-T787 WeakPolarHBondContact O-CG2 3.49Å; Q783-T787 PolarHBondContact O-N 3.3Å; Q783-T787 PolarHBondContact O-OG1 3.24Å; L784-T787 WeakPolarHBondContact CA-OG1 3.29Å; L784-T787 PolarHBondContact O-OG1 3.38Å; L784-T787 VanDerWaalsContact O-OG1 3.12Å; T787-L790 PolarHBondContact O-N 3.49Å; T787-M791 WeakPolarHBondContact O-CB 3.37Å; T787-M791 PolarHBondContact O-N 3.15Å |
| 788 | T | 92.8 | Very high | 91.8 | Very high | 61 Ų | 61 | 95.4 Ų | 95.4 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 172.4 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | L784 V785 E786 M791 H792 | L784-T788 WeakPolarHBondContact O-CB 3.23Å; L784-T788 PolarHBondContact O-N 2.94Å; L784-T788 PolarHBondContact O-OG1 3.49Å; V785-T788 PolarHBondContact O-N 3.29Å; E786-T788 VanDerWaalsContact C-N 3.34Å; E786-T788 PolarHBondContact O-N 3.48Å; T788-M791 PolarHBondContact O-N 2.9Å; T788-H792 PolarHBondContact O-N 2.86Å; T788-H792 VanDerWaalsContact O-N 3.1Å; T788-H792 PolarHBondContact O-ND1 3.19Å |
| 789 | K | 92.7 | Very high | 91.7 | Very high | 130 Ų | 130 | 96 Ų | 96 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 176.1 | -175.5 | -179.1 | 177.1 | -174.2 | 0 | 111.8 | V785 E786 H792 L793 | V785-K789 WeakPolarHBondContact O-CB 3.36Å; V785-K789 PolarHBondContact O-N 3.24Å; E786-K789 PolarHBondContact O-N 2.93Å; K789-H792 PolarHBondContact O-N 2.85Å; K789-L793 HydrophobicContact CG-CD1 4.48Å; K789-L793 WeakPolarHBondContact O-CG 3.33Å; K789-L793 PolarHBondContact O-N 3.47Å; K789-L793 VanDerWaalsContact O-N 3.11Å |
| 790 | L | 92.3 | Very high | 91.7 | Very high | 90 Ų | 90 | 94.3 Ų | 94.3 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.7 | -177.4 | 61.5 | 0 | 0 | 0 | 111.8 | E786 T787 L793 I794 | E786-L790 PolarHBondContact O-N 3.12Å; T787-L790 PolarHBondContact O-N 3.49Å; L790-L793 PolarHBondContact O-N 3Å; L790-I794 HydrophobicContact CD1-CD1 4.36Å; L790-I794 HydrophobicContact CG-CD1 4.05Å; L790-I794 WeakPolarHBondContact O-CG1 3.34Å; L790-I794 PolarHBondContact O-N 3.01Å |
| 791 | M | 92.6 | Very high | 91.7 | Very high | 100 Ų | 100 | 93.9 Ų | 93.9 | 49% | 0.493 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.8 | -173 | 174.2 | -69.8 | 0 | 0 | 112 | T787 T788 L793 I794 E795 | T787-M791 WeakPolarHBondContact O-CB 3.37Å; T787-M791 PolarHBondContact O-N 3.15Å; T788-M791 PolarHBondContact O-N 2.9Å; M791-L793 VanDerWaalsContact C-N 3.34Å; M791-L793 PolarHBondContact O-N 3.09Å; M791-I794 PolarHBondContact O-N 3.2Å; M791-E795 WeakPolarHBondContact O-CG 3.32Å; M791-E795 PolarHBondContact O-N 2.68Å |
| 792 | H | 92 | Very high | 91.7 | Very high | 95 Ų | 95 | 91 Ų | 91 | 44% | 0.44 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 176.4 | -75.6 | 78 | 0 | 0 | 0 | 112.7 | T788 K789 E795 E796 | T788-H792 PolarHBondContact O-N 2.86Å; T788-H792 VanDerWaalsContact O-N 3.1Å; T788-H792 PolarHBondContact O-ND1 3.19Å; K789-H792 PolarHBondContact O-N 2.85Å; H792-E795 PolarHBondContact O-N 3.31Å; H792-E796 PolarHBondContact O-N 2.9Å |
| 793 | L | 92.4 | Very high | 91.8 | Very high | 82 Ų | 82 | 90.8 Ų | 90.8 | 43% | 0.429 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 176 | -71 | 169.9 | 0 | 0 | 0 | 112.2 | K789 L790 M791 R797 | K789-L793 HydrophobicContact CG-CD1 4.48Å; K789-L793 WeakPolarHBondContact O-CG 3.33Å; K789-L793 PolarHBondContact O-N 3.47Å; K789-L793 VanDerWaalsContact O-N 3.11Å; L790-L793 PolarHBondContact O-N 3Å; M791-L793 VanDerWaalsContact C-N 3.34Å; M791-L793 PolarHBondContact O-N 3.09Å; L793-R797 VanDerWaalsContact O-CB 3.25Å; L793-R797 WeakPolarHBondContact O-CB 3.43Å; L793-R797 PolarHBondContact O-N 2.93Å |
| 794 | I | 91.7 | Very high | 91.8 | Very high | 86 Ų | 86 | 87.9 Ų | 87.9 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 174.5 | -69 | 165.2 | 0 | 0 | 0 | 110.9 | L790 M791 R797 N798 | L790-I794 HydrophobicContact CD1-CD1 4.36Å; L790-I794 HydrophobicContact CG-CD1 4.05Å; L790-I794 WeakPolarHBondContact O-CG1 3.34Å; L790-I794 PolarHBondContact O-N 3.01Å; M791-I794 PolarHBondContact O-N 3.2Å; I794-R797 PolarHBondContact O-N 3.5Å; I794-N798 WeakPolarHBondContact O-CB 3.42Å; I794-N798 VanDerWaalsContact O-CG 3.23Å; I794-N798 PolarHBondContact O-N 3.02Å; I794-N798 PolarHBondContact O-ND2 3.27Å |
| 795 | E | 92.6 | Very high | 91.8 | Very high | 103 Ų | 103 | 87.9 Ų | 87.9 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 174.1 | -71.7 | 176.3 | -179.1 | 0 | 0 | 111.9 | M791 H792 R797 N798 E799 | M791-E795 WeakPolarHBondContact O-CG 3.32Å; M791-E795 PolarHBondContact O-N 2.68Å; H792-E795 PolarHBondContact O-N 3.31Å; E795-R797 VanDerWaalsContact C-N 3.34Å; E795-R797 PolarHBondContact O-N 3.14Å; E795-N798 PolarHBondContact O-N 3.26Å; E795-N798 VanDerWaalsContact O-N 3.11Å; E795-E799 PolarHBondContact O-N 3.36Å |
| 796 | E | 90.3 | Very high | 91.7 | Very high | 65 Ų | 65 | 88.3 Ų | 88.3 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.3 | -173 | 165.8 | -143.5 | 0 | 0 | 112 | S260 W262 H792 N798 T800 | S260-E796 PolarHBondContact OG-OE1 2.64Å; W262-E796 VanDerWaalsContact CD1-OE1 3.29Å; H792-E796 PolarHBondContact O-N 2.9Å; E796-N798 VanDerWaalsContact C-N 3.32Å; E796-N798 PolarHBondContact O-N 3.43Å; E796-T800 WeakPolarHBondContact O-CB 3.35Å; E796-T800 WeakPolarHBondContact O-CG2 3.42Å; E796-T800 PolarHBondContact O-N 3.38Å; E796-T800 PolarHBondContact O-OG1 3.33Å |
| 797 | R | 91.3 | Very high | 91.8 | Very high | 142 Ų | 142 | 87.9 Ų | 87.9 | 54% | 0.536 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.5 | -33.3 | 173.1 | -176.9 | -91 | 174.6 | -165.4 | -1.1 | 112.7 | L793 I794 E795 T800 M801 | L793-R797 VanDerWaalsContact O-CB 3.25Å; L793-R797 WeakPolarHBondContact O-CB 3.43Å; L793-R797 PolarHBondContact O-N 2.93Å; I794-R797 PolarHBondContact O-N 3.5Å; E795-R797 VanDerWaalsContact C-N 3.34Å; E795-R797 PolarHBondContact O-N 3.14Å; R797-T800 WeakPolarHBondContact CA-OG1 3.47Å; R797-T800 PolarHBondContact O-OG1 2.99Å; R797-T800 VanDerWaalsContact O-OG1 3.05Å; R797-M801 PolarHBondContact NH1-SD 3.5Å; R797-M801 VanDerWaalsContact NH1-SD 3.43Å; R797-M801 VanDerWaalsContact O-CB 3.31Å; R797-M801 WeakPolarHBondContact O-CB 3.42Å; R797-M801 PolarHBondContact O-N 3.33Å; R797-M801 VanDerWaalsContact O-N 3.13Å |
| 798 | N | 92.7 | Very high | 91.8 | Very high | 61 Ų | 61 | 88.5 Ų | 88.5 | 33% | 0.326 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77.4 | -40.6 | 178.3 | -72.5 | -22.7 | 0 | 0 | 0 | 112 | I794 E795 E796 M801 D802 | I794-N798 WeakPolarHBondContact O-CB 3.42Å; I794-N798 VanDerWaalsContact O-CG 3.23Å; I794-N798 PolarHBondContact O-N 3.02Å; I794-N798 PolarHBondContact O-ND2 3.27Å; E795-N798 PolarHBondContact O-N 3.26Å; E795-N798 VanDerWaalsContact O-N 3.11Å; E796-N798 VanDerWaalsContact C-N 3.32Å; E796-N798 PolarHBondContact O-N 3.43Å; N798-M801 PolarHBondContact O-N 3.33Å; N798-D802 PolarHBondContact O-N 3.01Å |
| 799 | E | 91.2 | Very high | 91.8 | Very high | 103 Ų | 103 | 88.3 Ų | 88.3 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.6 | -177.2 | 58 | -127.9 | 0 | 0 | 111.6 | E795 M801 D802 Q803 R806 | E795-E799 PolarHBondContact O-N 3.36Å; E799-M801 PolarHBondContact O-N 2.95Å; E799-D802 PolarHBondContact O-N 3.24Å; E799-Q803 WeakPolarHBondContact O-CB 3.47Å; E799-Q803 PolarHBondContact O-N 3.47Å; E799-R806 IonicContact OE1-CZ 2.76Å; E799-R806 IonicContact OE1-NH1 2.73Å; E799-R806 PolarHBondContact OE1-NH1 3.03Å; E799-R806 IonicContact OE1-NH2 3.47Å; E799-R806 PolarHBondContact OE1-NH2 2.95Å |
| 800 | T | 90.3 | Very high | 91.8 | Very high | 59 Ų | 59 | 85.5 Ų | 85.5 | 36% | 0.362 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.3 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | E796 R797 Q803 A804 | E796-T800 WeakPolarHBondContact O-CB 3.35Å; E796-T800 WeakPolarHBondContact O-CG2 3.42Å; E796-T800 PolarHBondContact O-N 3.38Å; E796-T800 PolarHBondContact O-OG1 3.33Å; R797-T800 WeakPolarHBondContact CA-OG1 3.47Å; R797-T800 PolarHBondContact O-OG1 2.99Å; R797-T800 VanDerWaalsContact O-OG1 3.05Å; T800-Q803 PolarHBondContact O-N 3.44Å; T800-A804 PolarHBondContact O-N 3.04Å |
| 801 | M | 91 | Very high | 91.7 | Very high | 61 Ų | 61 | 86 Ų | 86 | 30% | 0.3 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 171.9 | 177.7 | -179.6 | 56 | 0 | 0 | 112.1 | R797 N798 E799 A804 K805 | R797-M801 PolarHBondContact NH1-SD 3.5Å; R797-M801 VanDerWaalsContact NH1-SD 3.43Å; R797-M801 VanDerWaalsContact O-CB 3.31Å; R797-M801 WeakPolarHBondContact O-CB 3.42Å; R797-M801 PolarHBondContact O-N 3.33Å; R797-M801 VanDerWaalsContact O-N 3.13Å; N798-M801 PolarHBondContact O-N 3.33Å; E799-M801 PolarHBondContact O-N 2.95Å; M801-A804 PolarHBondContact O-N 2.91Å; M801-K805 WeakPolarHBondContact O-CG 3.25Å; M801-K805 PolarHBondContact O-N 2.9Å |
| 802 | D | 91.2 | Very high | 91.8 | Very high | 61 Ų | 61 | 87 Ų | 87 | 33% | 0.326 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.2 | -32.8 | 178.5 | -74.5 | -14.5 | 0 | 0 | 0 | 112.3 | N798 E799 A804 K805 R806 | N798-D802 PolarHBondContact O-N 3.01Å; E799-D802 PolarHBondContact O-N 3.24Å; D802-A804 VanDerWaalsContact C-N 3.35Å; D802-K805 PolarHBondContact O-N 3.22Å; D802-K805 WeakPolarHBondContact OD1-CD 3.49Å; D802-K805 WeakPolarHBondContact OD1-CE 3.43Å; D802-K805 IonicContact OD1-NZ 3.41Å; D802-K805 PolarHBondContact OD1-NZ 3.46Å; D802-R806 WeakPolarHBondContact O-CG 3.43Å; D802-R806 PolarHBondContact O-N 2.92Å |
| 803 | Q | 92.6 | Very high | 91.8 | Very high | 63 Ų | 63 | 85.5 Ų | 85.5 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 167.5 | -174.6 | 177.4 | -8.9 | 0 | 0 | 111.5 | L268 E799 T800 R806 M807 | L268-Q803 HydrophobicContact CD2-CG 4.08Å; E799-Q803 WeakPolarHBondContact O-CB 3.47Å; E799-Q803 PolarHBondContact O-N 3.47Å; T800-Q803 PolarHBondContact O-N 3.44Å; Q803-R806 PolarHBondContact O-N 2.68Å; Q803-M807 PolarHBondContact O-N 3.48Å |
| 804 | A | 91 | Very high | 91.8 | Very high | 51 Ų | 51 | 86 Ų | 86 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | T800 M801 D802 M807 L808 | T800-A804 PolarHBondContact O-N 3.04Å; M801-A804 PolarHBondContact O-N 2.91Å; D802-A804 VanDerWaalsContact C-N 3.35Å; A804-M807 PolarHBondContact O-N 3.31Å; A804-L808 WeakPolarHBondContact O-CB 3.37Å; A804-L808 PolarHBondContact O-N 2.97Å |
| 805 | K | 92.9 | Very high | 91.8 | Very high | 113 Ų | 113 | 85 Ų | 85 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 172.5 | -68.7 | 171.9 | -165.7 | 158.5 | 0 | 112 | M801 D802 L808 A809 | M801-K805 WeakPolarHBondContact O-CG 3.25Å; M801-K805 PolarHBondContact O-N 2.9Å; D802-K805 PolarHBondContact O-N 3.22Å; D802-K805 WeakPolarHBondContact OD1-CD 3.49Å; D802-K805 WeakPolarHBondContact OD1-CE 3.43Å; D802-K805 IonicContact OD1-NZ 3.41Å; D802-K805 PolarHBondContact OD1-NZ 3.46Å; K805-L808 PolarHBondContact O-N 3.35Å; K805-A809 PolarHBondContact O-N 2.93Å |
| 806 | R | 91.8 | Very high | 91.7 | Very high | 112 Ų | 112 | 85 Ų | 85 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 177 | -70.8 | -176.4 | -59.1 | -107.2 | 8.4 | 111.3 | E799 D802 Q803 A809 V810 | E799-R806 IonicContact OE1-CZ 2.76Å; E799-R806 IonicContact OE1-NH1 2.73Å; E799-R806 PolarHBondContact OE1-NH1 3.03Å; E799-R806 IonicContact OE1-NH2 3.47Å; E799-R806 PolarHBondContact OE1-NH2 2.95Å; D802-R806 WeakPolarHBondContact O-CG 3.43Å; D802-R806 PolarHBondContact O-N 2.92Å; Q803-R806 PolarHBondContact O-N 2.68Å; R806-A809 PolarHBondContact O-N 3.37Å; R806-V810 WeakPolarHBondContact O-CG2 3.41Å; R806-V810 PolarHBondContact O-N 3.25Å |
| 807 | M | 90 | Very high | 91.7 | Very high | 126 Ų | 126 | 89.2 Ų | 89.2 | 62% | 0.621 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 176.2 | -172.1 | 173.3 | 70.4 | 0 | 0 | 112.4 | Q803 A804 A809 V810 H811 | Q803-M807 PolarHBondContact O-N 3.48Å; A804-M807 PolarHBondContact O-N 3.31Å; M807-A809 VanDerWaalsContact C-N 3.32Å; M807-A809 PolarHBondContact O-N 3.44Å; M807-V810 PolarHBondContact O-N 3.16Å; M807-H811 PolarHBondContact O-N 2.97Å |
| 808 | L | 92.1 | Very high | 91.6 | Very high | 94 Ų | 94 | 86.4 Ų | 86.4 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 174.9 | -179.7 | 62 | 0 | 0 | 0 | 112.4 | A804 K805 H811 K812 | A804-L808 WeakPolarHBondContact O-CB 3.37Å; A804-L808 PolarHBondContact O-N 2.97Å; K805-L808 PolarHBondContact O-N 3.35Å; L808-H811 PolarHBondContact O-N 3.47Å; L808-K812 WeakPolarHBondContact O-CG 3.39Å; L808-K812 PolarHBondContact O-N 3.31Å |
| 809 | A | 92.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 87.8 Ų | 87.8 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K805 R806 M807 K812 D813 | K805-A809 PolarHBondContact O-N 2.93Å; R806-A809 PolarHBondContact O-N 3.37Å; M807-A809 VanDerWaalsContact C-N 3.32Å; M807-A809 PolarHBondContact O-N 3.44Å; A809-K812 PolarHBondContact O-N 2.95Å; A809-D813 PolarHBondContact O-N 3.4Å |
| 810 | V | 92.5 | Very high | 91.2 | Very high | 71 Ų | 71 | 89.9 Ų | 89.9 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L272 R806 M807 K812 D813 M814 | L272-V810 HydrophobicContact CD1-CG2 4.45Å; L272-V810 HydrophobicContact CD2-CG2 4.25Å; R806-V810 WeakPolarHBondContact O-CG2 3.41Å; R806-V810 PolarHBondContact O-N 3.25Å; M807-V810 PolarHBondContact O-N 3.16Å; V810-K812 VanDerWaalsContact C-N 3.34Å; V810-K812 PolarHBondContact O-N 3.02Å; V810-D813 PolarHBondContact O-N 3.2Å; V810-M814 WeakPolarHBondContact O-CB 3.41Å; V810-M814 PolarHBondContact O-N 3.46Å |
| 811 | H | 91.2 | Very high | 91 | Very high | 99 Ų | 99 | 89.9 Ų | 89.9 | 46% | 0.458 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.6 | -178.4 | -86.3 | 0 | 0 | 0 | 112.1 | M807 L808 M814 V815 | M807-H811 PolarHBondContact O-N 2.97Å; L808-H811 PolarHBondContact O-N 3.47Å; H811-M814 WeakPolarHBondContact O-CB 3.4Å; H811-M814 PolarHBondContact O-N 3.44Å; H811-V815 WeakPolarHBondContact O-CG2 3.39Å; H811-V815 PolarHBondContact O-N 3.43Å |
| 812 | K | 93.8 | Very high | 90.9 | Very high | 121 Ų | 121 | 92.3 Ų | 92.3 | 53% | 0.526 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 176 | -74.5 | 177.1 | 178.8 | -176 | 0 | 112.8 | L808 A809 V810 M814 V815 H816 | L808-K812 WeakPolarHBondContact O-CG 3.39Å; L808-K812 PolarHBondContact O-N 3.31Å; A809-K812 PolarHBondContact O-N 2.95Å; V810-K812 VanDerWaalsContact C-N 3.34Å; V810-K812 PolarHBondContact O-N 3.02Å; K812-M814 VanDerWaalsContact C-N 3.33Å; K812-M814 PolarHBondContact O-N 3.32Å; K812-V815 PolarHBondContact O-N 3.12Å; K812-H816 PolarHBondContact O-CD2 3.5Å; K812-H816 VanDerWaalsContact O-CD2 3.24Å; K812-H816 PolarHBondContact O-N 3.39Å |
| 813 | D | 93 | Very high | 90.6 | Very high | 64 Ų | 64 | 93.9 Ų | 93.9 | 34% | 0.342 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.3 | -179.1 | 47 | 0 | 0 | 0 | 111.4 | A809 V810 H816 R817 R820 | A809-D813 PolarHBondContact O-N 3.4Å; V810-D813 PolarHBondContact O-N 3.2Å; D813-H816 PolarHBondContact O-N 2.82Å; D813-R817 VanDerWaalsContact O-CG 3.28Å; D813-R817 WeakPolarHBondContact O-CG 3.49Å; D813-R817 PolarHBondContact O-N 3.48Å; D813-R817 IonicContact OD1-NE 3.12Å; D813-R817 PolarHBondContact OD1-NE 3.15Å; D813-R817 IonicContact OD2-CZ 3.59Å; D813-R817 IonicContact OD2-NE 3.93Å; D813-R817 PolarHBondContact OD2-NE 3.3Å; D813-R817 IonicContact OD2-NH2 3.89Å; D813-R817 PolarHBondContact OD2-NH2 2.91Å; D813-R820 IonicContact OD1-NH2 3.54Å |
| 814 | M | 91.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 97.3 Ų | 97.3 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 174.5 | -175.4 | -178.3 | 72 | 0 | 0 | 111.9 | V810 H811 K812 H816 R817 I818 | V810-M814 WeakPolarHBondContact O-CB 3.41Å; V810-M814 PolarHBondContact O-N 3.46Å; H811-M814 WeakPolarHBondContact O-CB 3.4Å; H811-M814 PolarHBondContact O-N 3.44Å; K812-M814 VanDerWaalsContact C-N 3.33Å; K812-M814 PolarHBondContact O-N 3.32Å; M814-H816 PolarHBondContact O-N 2.99Å; M814-R817 WeakPolarHBondContact O-CB 3.32Å; M814-R817 PolarHBondContact O-N 3.36Å; M814-R817 VanDerWaalsContact O-N 3.14Å; M814-I818 HydrophobicContact CG-CD1 4.08Å; M814-I818 WeakPolarHBondContact O-CG1 3.14Å; M814-I818 PolarHBondContact O-N 2.67Å |
| 815 | V | 91.7 | Very high | 90.2 | Very high | 66 Ų | 66 | 101.6 Ų | 101.6 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | H811 K812 R817 I818 E819 | H811-V815 WeakPolarHBondContact O-CG2 3.39Å; H811-V815 PolarHBondContact O-N 3.43Å; K812-V815 PolarHBondContact O-N 3.12Å; V815-R817 VanDerWaalsContact C-N 3.26Å; V815-R817 PolarHBondContact O-N 3.22Å; V815-I818 PolarHBondContact O-N 3.34Å; V815-I818 VanDerWaalsContact O-N 3.13Å; V815-E819 WeakPolarHBondContact O-CB 3.4Å; V815-E819 PolarHBondContact O-N 3.06Å |
| 816 | H | 90.6 | Very high | 89.9 | Confident | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -21.1 | 176.2 | -71.2 | -49.5 | 0 | 0 | 0 | 114.1 | K812 D813 M814 E819 R820 | K812-H816 PolarHBondContact O-CD2 3.5Å; K812-H816 VanDerWaalsContact O-CD2 3.24Å; K812-H816 PolarHBondContact O-N 3.39Å; D813-H816 PolarHBondContact O-N 2.82Å; M814-H816 PolarHBondContact O-N 2.99Å; H816-E819 IonicContact CE1-OE2 2.68Å; H816-E819 IonicContact CG-OE2 2.67Å; H816-E819 IonicContact ND1-OE2 3.47Å; H816-E819 PolarHBondContact ND1-OE2 2.97Å; H816-R820 WeakPolarHBondContact O-CB 3.44Å; H816-R820 VanDerWaalsContact O-CG 3.25Å; H816-R820 WeakPolarHBondContact O-CG 3.43Å; H816-R820 PolarHBondContact O-N 3.45Å; H816-R820 PolarHBondContact O-NE 3.3Å |
| 817 | R | 90.7 | Very high | 89.6 | Confident | 152 Ų | 152 | 99.4 Ų | 99.4 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -75.4 | -41.3 | 169.1 | -73.6 | 173.2 | -170.4 | -143 | 8.6 | 111.3 | D813 M814 V815 R820 A821 | D813-R817 VanDerWaalsContact O-CG 3.28Å; D813-R817 WeakPolarHBondContact O-CG 3.49Å; D813-R817 PolarHBondContact O-N 3.48Å; D813-R817 IonicContact OD1-NE 3.12Å; D813-R817 PolarHBondContact OD1-NE 3.15Å; D813-R817 IonicContact OD2-CZ 3.59Å; D813-R817 IonicContact OD2-NE 3.93Å; D813-R817 PolarHBondContact OD2-NE 3.3Å; D813-R817 IonicContact OD2-NH2 3.89Å; D813-R817 PolarHBondContact OD2-NH2 2.91Å; M814-R817 WeakPolarHBondContact O-CB 3.32Å; M814-R817 PolarHBondContact O-N 3.36Å; M814-R817 VanDerWaalsContact O-N 3.14Å; V815-R817 VanDerWaalsContact C-N 3.26Å; V815-R817 PolarHBondContact O-N 3.22Å; R817-R820 PolarHBondContact O-N 3.28Å; R817-A821 WeakPolarHBondContact O-CB 3.43Å; R817-A821 PolarHBondContact O-N 3.23Å |
| 818 | I | 89.6 | Confident | 89.6 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 43% | 0.431 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 175.7 | -67.3 | 164.2 | 0 | 0 | 0 | 110.1 | M814 V815 R820 A821 Q822 | M814-I818 HydrophobicContact CG-CD1 4.08Å; M814-I818 WeakPolarHBondContact O-CG1 3.14Å; M814-I818 PolarHBondContact O-N 2.67Å; V815-I818 PolarHBondContact O-N 3.34Å; V815-I818 VanDerWaalsContact O-N 3.13Å; I818-R820 PolarHBondContact O-N 3.01Å; I818-A821 CarbonylContact O-C 3.58Å; I818-A821 WeakPolarHBondContact O-CA 3.47Å; I818-A821 WeakPolarHBondContact O-CB 3.25Å; I818-A821 PolarHBondContact O-N 3.32Å; I818-Q822 HydrophobicContact CG2-CG 4.41Å; I818-Q822 WeakPolarHBondContact O-CG 3.24Å; I818-Q822 PolarHBondContact O-N 3.17Å |
| 819 | E | 89.2 | Confident | 89.6 | Confident | 89 Ų | 89 | 99 Ų | 99 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 176.4 | -177.9 | -179.5 | -154.2 | 0 | 0 | 111.7 | V815 H816 A821 Q822 N823 | V815-E819 WeakPolarHBondContact O-CB 3.4Å; V815-E819 PolarHBondContact O-N 3.06Å; H816-E819 IonicContact CE1-OE2 2.68Å; H816-E819 IonicContact CG-OE2 2.67Å; H816-E819 IonicContact ND1-OE2 3.47Å; H816-E819 PolarHBondContact ND1-OE2 2.97Å; E819-A821 VanDerWaalsContact C-N 3.31Å; E819-A821 PolarHBondContact O-N 3.41Å; E819-Q822 PolarHBondContact O-N 3.36Å; E819-N823 WeakPolarHBondContact O-CB 3.48Å; E819-N823 VanDerWaalsContact O-CG 3.23Å; E819-N823 PolarHBondContact O-N 3.26Å; E819-N823 PolarHBondContact O-OD1 3.06Å |
| 820 | R | 86.9 | Confident | 89.5 | Confident | 148 Ų | 148 | 101.2 Ų | 101.2 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -33.9 | 174 | -76.8 | -178.1 | -67.8 | 164.5 | -7.2 | 113.2 | D813 H816 R817 I818 K824 | D813-R820 IonicContact OD1-NH2 3.54Å; H816-R820 WeakPolarHBondContact O-CB 3.44Å; H816-R820 VanDerWaalsContact O-CG 3.25Å; H816-R820 WeakPolarHBondContact O-CG 3.43Å; H816-R820 PolarHBondContact O-N 3.45Å; H816-R820 PolarHBondContact O-NE 3.3Å; R817-R820 PolarHBondContact O-N 3.28Å; I818-R820 PolarHBondContact O-N 3.01Å; R820-K824 VanDerWaalsContact O-CB 3.24Å; R820-K824 WeakPolarHBondContact O-CB 3.36Å; R820-K824 PolarHBondContact O-N 3.01Å; R820-K824 VanDerWaalsContact O-N 3.08Å |
| 821 | A | 86 | Confident | 89.4 | Confident | 58 Ų | 58 | 101.6 Ų | 101.6 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.3 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R817 I818 E819 K824 Q825 | R817-A821 WeakPolarHBondContact O-CB 3.43Å; R817-A821 PolarHBondContact O-N 3.23Å; I818-A821 CarbonylContact O-C 3.58Å; I818-A821 WeakPolarHBondContact O-CA 3.47Å; I818-A821 WeakPolarHBondContact O-CB 3.25Å; I818-A821 PolarHBondContact O-N 3.32Å; E819-A821 VanDerWaalsContact C-N 3.31Å; E819-A821 PolarHBondContact O-N 3.41Å; A821-K824 PolarHBondContact O-N 3.22Å; A821-Q825 WeakPolarHBondContact O-CB 3.39Å; A821-Q825 PolarHBondContact O-N 3.04Å |
| 822 | Q | 87.1 | Confident | 89.5 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -50.9 | 174.2 | -74.1 | 173.7 | -28.8 | 0 | 0 | 111.3 | I818 E819 K824 Q825 E826 | I818-Q822 HydrophobicContact CG2-CG 4.41Å; I818-Q822 WeakPolarHBondContact O-CG 3.24Å; I818-Q822 PolarHBondContact O-N 3.17Å; E819-Q822 PolarHBondContact O-N 3.36Å; Q822-K824 PolarHBondContact O-N 2.97Å; Q822-Q825 CarbonylContact O-C 3.57Å; Q822-Q825 WeakPolarHBondContact O-CA 3.28Å; Q822-Q825 WeakPolarHBondContact O-CB 3.45Å; Q822-Q825 PolarHBondContact O-N 3.45Å; Q822-E826 PolarHBondContact O-N 3.05Å |
| 823 | N | 86.7 | Confident | 89.4 | Confident | 93 Ų | 93 | 101.8 Ų | 101.8 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -34.9 | 176.4 | -65.7 | -9.2 | 0 | 0 | 0 | 111.8 | E819 S827 | E819-N823 WeakPolarHBondContact O-CB 3.48Å; E819-N823 VanDerWaalsContact O-CG 3.23Å; E819-N823 PolarHBondContact O-N 3.26Å; E819-N823 PolarHBondContact O-OD1 3.06Å; N823-S827 PolarHBondContact O-N 3.24Å; N823-S827 PolarHBondContact O-OG 2.99Å |
| 824 | K | 87 | Confident | 89.4 | Confident | 136 Ų | 136 | 103.6 Ų | 103.6 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.9 | -41.1 | 172.7 | -178.8 | 171.3 | -179.7 | -176.4 | 0 | 112.2 | R820 A821 Q822 E826 S827 L828 | R820-K824 VanDerWaalsContact O-CB 3.24Å; R820-K824 WeakPolarHBondContact O-CB 3.36Å; R820-K824 PolarHBondContact O-N 3.01Å; R820-K824 VanDerWaalsContact O-N 3.08Å; A821-K824 PolarHBondContact O-N 3.22Å; Q822-K824 PolarHBondContact O-N 2.97Å; K824-E826 VanDerWaalsContact C-N 3.33Å; K824-S827 PolarHBondContact O-N 3.03Å; K824-S827 PolarHBondContact O-OG 3.34Å; K824-L828 HydrophobicContact CG-CD1 3.89Å; K824-L828 WeakPolarHBondContact O-CB 3.47Å; K824-L828 WeakPolarHBondContact O-CD1 3.4Å; K824-L828 PolarHBondContact O-N 2.99Å |
| 825 | Q | 87 | Confident | 89.4 | Confident | 140 Ų | 140 | 103.4 Ų | 103.4 | 65% | 0.654 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 175.9 | -178 | 178 | -4.8 | 0 | 0 | 111.5 | A821 Q822 L828 K829 | A821-Q825 WeakPolarHBondContact O-CB 3.39Å; A821-Q825 PolarHBondContact O-N 3.04Å; Q822-Q825 CarbonylContact O-C 3.57Å; Q822-Q825 WeakPolarHBondContact O-CA 3.28Å; Q822-Q825 WeakPolarHBondContact O-CB 3.45Å; Q822-Q825 PolarHBondContact O-N 3.45Å; Q825-L828 PolarHBondContact O-N 2.8Å; Q825-K829 WeakPolarHBondContact O-CB 3.43Å; Q825-K829 PolarHBondContact O-N 3.13Å |
| 826 | E | 87 | Confident | 89.5 | Confident | 121 Ų | 121 | 105.8 Ų | 105.8 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -43.6 | 176.2 | -172.8 | 162.9 | -145.6 | 0 | 0 | 111.8 | Q822 K824 L828 K829 I830 | Q822-E826 PolarHBondContact O-N 3.05Å; K824-E826 VanDerWaalsContact C-N 3.33Å; E826-L828 VanDerWaalsContact C-N 3.33Å; E826-L828 PolarHBondContact O-N 2.97Å; E826-K829 WeakPolarHBondContact O-CB 3.38Å; E826-K829 PolarHBondContact O-N 3.45Å; E826-K829 VanDerWaalsContact O-N 3.15Å; E826-I830 HydrophobicContact CG-CD1 4.24Å; E826-I830 WeakPolarHBondContact O-CG1 3.36Å; E826-I830 PolarHBondContact O-N 2.95Å |
| 827 | S | 85.9 | Confident | 89.7 | Confident | 58 Ų | 58 | 104 Ų | 104 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 173.6 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | N823 K824 N831 | N823-S827 PolarHBondContact O-N 3.24Å; N823-S827 PolarHBondContact O-OG 2.99Å; K824-S827 PolarHBondContact O-N 3.03Å; K824-S827 PolarHBondContact O-OG 3.34Å; S827-N831 WeakPolarHBondContact O-CB 3.12Å; S827-N831 PolarHBondContact O-N 2.97Å; S827-N831 PolarHBondContact O-ND2 2.86Å |
| 828 | L | 89.3 | Confident | 89.9 | Confident | 78 Ų | 78 | 101 Ų | 101 | 41% | 0.408 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 170 | -95.3 | 139.1 | 0 | 0 | 0 | 111.7 | K824 Q825 E826 N831 F832 | K824-L828 HydrophobicContact CG-CD1 3.89Å; K824-L828 WeakPolarHBondContact O-CB 3.47Å; K824-L828 WeakPolarHBondContact O-CD1 3.4Å; K824-L828 PolarHBondContact O-N 2.99Å; Q825-L828 PolarHBondContact O-N 2.8Å; E826-L828 VanDerWaalsContact C-N 3.33Å; E826-L828 PolarHBondContact O-N 2.97Å; L828-N831 PolarHBondContact O-N 3.11Å; L828-F832 HydrophobicContact CD2-CE2 3.87Å; L828-F832 WeakPolarHBondContact O-CD2 3.43Å; L828-F832 PolarHBondContact O-N 2.99Å |
| 829 | K | 91.9 | Very high | 90 | Very high | 134 Ų | 134 | 100.7 Ų | 100.7 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -49.8 | 176.3 | -175.2 | -174.7 | 172.6 | -169.1 | 0 | 111.4 | Q825 E826 N831 F832 D833 | Q825-K829 WeakPolarHBondContact O-CB 3.43Å; Q825-K829 PolarHBondContact O-N 3.13Å; E826-K829 WeakPolarHBondContact O-CB 3.38Å; E826-K829 PolarHBondContact O-N 3.45Å; E826-K829 VanDerWaalsContact O-N 3.15Å; K829-N831 VanDerWaalsContact C-N 3.28Å; K829-N831 PolarHBondContact O-N 3.47Å; K829-F832 PolarHBondContact O-N 3.29Å; K829-F832 VanDerWaalsContact O-N 3.07Å; K829-D833 VanDerWaalsContact O-CG 3.31Å; K829-D833 PolarHBondContact O-N 2.83Å |
| 830 | I | 91.3 | Very high | 90.3 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 176.5 | -66.8 | 164.2 | 0 | 0 | 0 | 111 | E826 D833 M834 | E826-I830 HydrophobicContact CG-CD1 4.24Å; E826-I830 WeakPolarHBondContact O-CG1 3.36Å; E826-I830 PolarHBondContact O-N 2.95Å; I830-D833 PolarHBondContact O-N 2.76Å; I830-M834 WeakPolarHBondContact O-CB 3.4Å; I830-M834 PolarHBondContact O-N 3.29Å |
| 831 | N | 90.9 | Very high | 90.6 | Very high | 79 Ų | 79 | 95.5 Ų | 95.5 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.4 | -77.4 | -52 | 0 | 0 | 0 | 112.7 | S827 L828 K829 M834 I835 | S827-N831 WeakPolarHBondContact O-CB 3.12Å; S827-N831 PolarHBondContact O-N 2.97Å; S827-N831 PolarHBondContact O-ND2 2.86Å; L828-N831 PolarHBondContact O-N 3.11Å; K829-N831 VanDerWaalsContact C-N 3.28Å; K829-N831 PolarHBondContact O-N 3.47Å; N831-M834 PolarHBondContact O-N 3.12Å; N831-I835 WeakPolarHBondContact O-CB 3.34Å; N831-I835 WeakPolarHBondContact O-CD1 3.47Å; N831-I835 VanDerWaalsContact O-CG1 3.25Å; N831-I835 WeakPolarHBondContact O-CG1 3.45Å; N831-I835 PolarHBondContact O-N 3.43Å |
| 832 | F | 91.6 | Very high | 90.9 | Very high | 133 Ų | 133 | 97.2 Ų | 97.2 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | 174.6 | -81.7 | -62.9 | 0 | 0 | 0 | 112.1 | L828 K829 M834 I835 H836 | L828-F832 HydrophobicContact CD2-CE2 3.87Å; L828-F832 WeakPolarHBondContact O-CD2 3.43Å; L828-F832 PolarHBondContact O-N 2.99Å; K829-F832 PolarHBondContact O-N 3.29Å; K829-F832 VanDerWaalsContact O-N 3.07Å; F832-M834 VanDerWaalsContact C-N 3.34Å; F832-M834 PolarHBondContact O-N 2.66Å; F832-I835 PolarHBondContact O-N 3.37Å; F832-H836 VanDerWaalsContact O-CB 3.32Å; F832-H836 WeakPolarHBondContact O-CB 3.37Å; F832-H836 PolarHBondContact O-N 3.35Å |
| 833 | D | 92.5 | Very high | 91.3 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.9 | -67.2 | -24.3 | 0 | 0 | 0 | 110.9 | K829 I830 H836 S837 | K829-D833 VanDerWaalsContact O-CG 3.31Å; K829-D833 PolarHBondContact O-N 2.83Å; I830-D833 PolarHBondContact O-N 2.76Å; D833-H836 PolarHBondContact O-N 2.78Å; D833-S837 WeakPolarHBondContact O-CB 3.48Å; D833-S837 PolarHBondContact O-N 3.11Å |
| 834 | M | 92.8 | Very high | 91.6 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 173.5 | -178.8 | 175.2 | 62.4 | 0 | 0 | 112.5 | I830 N831 F832 H836 S837 N838 | I830-M834 WeakPolarHBondContact O-CB 3.4Å; I830-M834 PolarHBondContact O-N 3.29Å; N831-M834 PolarHBondContact O-N 3.12Å; F832-M834 VanDerWaalsContact C-N 3.34Å; F832-M834 PolarHBondContact O-N 2.66Å; M834-H836 VanDerWaalsContact C-N 3.31Å; M834-H836 PolarHBondContact O-N 3.1Å; M834-S837 PolarHBondContact O-N 3.42Å; M834-N838 PolarHBondContact O-N 3.3Å |
| 835 | I | 92.7 | Very high | 92 | Very high | 89 Ų | 89 | 98.3 Ų | 98.3 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.6 | -70.2 | 164.6 | 0 | 0 | 0 | 110.5 | N831 F832 N838 I839 | N831-I835 WeakPolarHBondContact O-CB 3.34Å; N831-I835 WeakPolarHBondContact O-CD1 3.47Å; N831-I835 VanDerWaalsContact O-CG1 3.25Å; N831-I835 WeakPolarHBondContact O-CG1 3.45Å; N831-I835 PolarHBondContact O-N 3.43Å; F832-I835 PolarHBondContact O-N 3.37Å; I835-N838 PolarHBondContact O-N 2.9Å; I835-I839 HydrophobicContact CG2-CD1 3.87Å; I835-I839 WeakPolarHBondContact O-CG1 3.45Å; I835-I839 PolarHBondContact O-N 3.36Å |
| 836 | H | 93.6 | Very high | 92.3 | Very high | 116 Ų | 116 | 96 Ų | 96 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.6 | -168.8 | 66.4 | 0 | 0 | 0 | 112 | F832 D833 M834 N838 I839 I840 | F832-H836 VanDerWaalsContact O-CB 3.32Å; F832-H836 WeakPolarHBondContact O-CB 3.37Å; F832-H836 PolarHBondContact O-N 3.35Å; D833-H836 PolarHBondContact O-N 2.78Å; M834-H836 VanDerWaalsContact C-N 3.31Å; M834-H836 PolarHBondContact O-N 3.1Å; H836-N838 PolarHBondContact O-N 3.34Å; H836-I839 PolarHBondContact O-N 3.01Å; H836-I840 WeakPolarHBondContact O-CG1 3.32Å; H836-I840 PolarHBondContact O-N 2.67Å |
| 837 | S | 94 | Very high | 92.7 | Very high | 66 Ų | 66 | 96.8 Ų | 96.8 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 174 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | D833 M834 I839 I840 T841 | D833-S837 WeakPolarHBondContact O-CB 3.48Å; D833-S837 PolarHBondContact O-N 3.11Å; M834-S837 PolarHBondContact O-N 3.42Å; S837-I839 PolarHBondContact O-N 3.1Å; S837-I840 PolarHBondContact O-N 2.95Å; S837-T841 WeakPolarHBondContact O-CB 3.33Å; S837-T841 PolarHBondContact O-N 3.19Å; S837-T841 PolarHBondContact O-OG1 3.07Å |
| 838 | N | 94.3 | Very high | 93.2 | Very high | 90 Ų | 90 | 98.9 Ų | 98.9 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 174.5 | -72.6 | -13.7 | 0 | 0 | 0 | 112 | M834 I835 H836 T841 I842 | M834-N838 PolarHBondContact O-N 3.3Å; I835-N838 PolarHBondContact O-N 2.9Å; H836-N838 PolarHBondContact O-N 3.34Å; N838-T841 PolarHBondContact O-N 3.01Å; N838-I842 VanDerWaalsContact O-CG1 3.3Å; N838-I842 WeakPolarHBondContact O-CG1 3.37Å; N838-I842 PolarHBondContact O-N 3.04Å |
| 839 | I | 93 | Very high | 93.4 | Very high | 76 Ų | 76 | 101.1 Ų | 101.1 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.7 | -70.5 | 165.6 | 0 | 0 | 0 | 111.1 | I835 H836 S837 T841 I842 Q843 | I835-I839 HydrophobicContact CG2-CD1 3.87Å; I835-I839 WeakPolarHBondContact O-CG1 3.45Å; I835-I839 PolarHBondContact O-N 3.36Å; H836-I839 PolarHBondContact O-N 3.01Å; S837-I839 PolarHBondContact O-N 3.1Å; I839-T841 VanDerWaalsContact C-N 3.34Å; I839-T841 PolarHBondContact O-N 3.31Å; I839-I842 PolarHBondContact O-N 3.38Å; I839-Q843 HydrophobicContact CG2-CG 4.47Å; I839-Q843 WeakPolarHBondContact O-CG 3.43Å; I839-Q843 PolarHBondContact O-N 2.95Å |
| 840 | I | 94 | Very high | 93.5 | Very high | 69 Ų | 69 | 99.1 Ų | 99.1 | 35% | 0.354 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 175.7 | -68.2 | 167.4 | 0 | 0 | 0 | 110 | H836 S837 I842 Q843 E844 | H836-I840 WeakPolarHBondContact O-CG1 3.32Å; H836-I840 PolarHBondContact O-N 2.67Å; S837-I840 PolarHBondContact O-N 2.95Å; I840-I842 VanDerWaalsContact C-N 3.3Å; I840-I842 PolarHBondContact O-N 3.29Å; I840-Q843 WeakPolarHBondContact O-CB 3.4Å; I840-Q843 PolarHBondContact O-N 3.32Å; I840-Q843 VanDerWaalsContact O-N 3.1Å; I840-E844 HydrophobicContact CG2-CG 4.48Å; I840-E844 WeakPolarHBondContact O-CG 3.37Å; I840-E844 PolarHBondContact O-N 2.8Å |
| 841 | T | 93.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 97.3 Ų | 97.3 | 36% | 0.362 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 178.7 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | S837 N838 I839 K845 | S837-T841 WeakPolarHBondContact O-CB 3.33Å; S837-T841 PolarHBondContact O-N 3.19Å; S837-T841 PolarHBondContact O-OG1 3.07Å; N838-T841 PolarHBondContact O-N 3.01Å; I839-T841 VanDerWaalsContact C-N 3.34Å; I839-T841 PolarHBondContact O-N 3.31Å; T841-K845 WeakPolarHBondContact O-CG 3.44Å; T841-K845 PolarHBondContact O-N 2.78Å |
| 842 | I | 93.4 | Very high | 93.9 | Very high | 95 Ų | 95 | 96.1 Ų | 96.1 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.1 | -42.8 | 175.3 | -69.7 | 164.7 | 0 | 0 | 0 | 110.9 | N838 I839 I840 E844 K845 I846 | N838-I842 VanDerWaalsContact O-CG1 3.3Å; N838-I842 WeakPolarHBondContact O-CG1 3.37Å; N838-I842 PolarHBondContact O-N 3.04Å; I839-I842 PolarHBondContact O-N 3.38Å; I840-I842 VanDerWaalsContact C-N 3.3Å; I840-I842 PolarHBondContact O-N 3.29Å; I842-E844 VanDerWaalsContact C-N 3.34Å; I842-E844 PolarHBondContact O-N 2.77Å; I842-K845 PolarHBondContact O-N 2.9Å; I842-I846 HydrophobicContact CG2-CD1 3.8Å; I842-I846 HydrophobicContact CG2-CG1 4.44Å; I842-I846 VanDerWaalsContact O-CG1 3.31Å; I842-I846 WeakPolarHBondContact O-CG1 3.43Å; I842-I846 PolarHBondContact O-N 3.39Å |
| 843 | Q | 94.4 | Very high | 94 | Very high | 121 Ų | 121 | 95.6 Ų | 95.6 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 176.4 | -72.3 | 176 | 0.1 | 0 | 0 | 112.1 | I839 I840 I846 K847 | I839-Q843 HydrophobicContact CG2-CG 4.47Å; I839-Q843 WeakPolarHBondContact O-CG 3.43Å; I839-Q843 PolarHBondContact O-N 2.95Å; I840-Q843 WeakPolarHBondContact O-CB 3.4Å; I840-Q843 PolarHBondContact O-N 3.32Å; I840-Q843 VanDerWaalsContact O-N 3.1Å; Q843-I846 PolarHBondContact O-N 3Å; Q843-K847 WeakPolarHBondContact O-CB 3.09Å; Q843-K847 PolarHBondContact O-N 2.73Å |
| 844 | E | 94.5 | Very high | 94.1 | Very high | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.533 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 173.8 | -71.2 | -172.7 | 162.9 | 0 | 0 | 112.3 | I840 I842 I846 K847 N848 | I840-E844 HydrophobicContact CG2-CG 4.48Å; I840-E844 WeakPolarHBondContact O-CG 3.37Å; I840-E844 PolarHBondContact O-N 2.8Å; I842-E844 VanDerWaalsContact C-N 3.34Å; I842-E844 PolarHBondContact O-N 2.77Å; E844-I846 VanDerWaalsContact C-N 3.35Å; E844-I846 PolarHBondContact O-N 3.12Å; E844-K847 PolarHBondContact O-N 3.2Å; E844-N848 WeakPolarHBondContact O-CB 3.43Å; E844-N848 PolarHBondContact O-N 3.48Å; E844-N848 PolarHBondContact O-ND2 3.41Å |
| 845 | K | 94.6 | Very high | 94.2 | Very high | 129 Ų | 129 | 97.8 Ų | 97.8 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.5 | -45.1 | 173.4 | -76.3 | 177.3 | 179.1 | -177.4 | 0 | 111.7 | T841 I842 N848 F849 | T841-K845 WeakPolarHBondContact O-CG 3.44Å; T841-K845 PolarHBondContact O-N 2.78Å; I842-K845 PolarHBondContact O-N 2.9Å; K845-N848 PolarHBondContact O-N 3.23Å; K845-F849 WeakPolarHBondContact O-CB 3.47Å; K845-F849 PolarHBondContact O-N 3.4Å |
| 846 | I | 94.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.5 | -69.9 | 167 | 0 | 0 | 0 | 110.8 | I842 Q843 E844 N848 F849 I850 | I842-I846 HydrophobicContact CG2-CD1 3.8Å; I842-I846 HydrophobicContact CG2-CG1 4.44Å; I842-I846 VanDerWaalsContact O-CG1 3.31Å; I842-I846 WeakPolarHBondContact O-CG1 3.43Å; I842-I846 PolarHBondContact O-N 3.39Å; Q843-I846 PolarHBondContact O-N 3Å; E844-I846 VanDerWaalsContact C-N 3.35Å; E844-I846 PolarHBondContact O-N 3.12Å; I846-N848 PolarHBondContact O-N 2.91Å; I846-F849 PolarHBondContact O-N 3.43Å; I846-I850 HydrophobicContact CG2-CD1 3.75Å; I846-I850 HydrophobicContact CG2-CG1 4.42Å; I846-I850 VanDerWaalsContact O-CG1 3.31Å; I846-I850 WeakPolarHBondContact O-CG1 3.4Å; I846-I850 PolarHBondContact O-N 3.39Å |
| 847 | K | 94.9 | Very high | 94.4 | Very high | 137 Ų | 137 | 98.4 Ų | 98.4 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 177 | -176.2 | -178.5 | 178.7 | -175.7 | 0 | 111.8 | Q843 E844 I850 N851 | Q843-K847 WeakPolarHBondContact O-CB 3.09Å; Q843-K847 PolarHBondContact O-N 2.73Å; E844-K847 PolarHBondContact O-N 3.2Å; K847-I850 PolarHBondContact O-N 3.22Å; K847-N851 WeakPolarHBondContact O-CB 3.45Å; K847-N851 PolarHBondContact O-N 2.95Å; K847-N851 PolarHBondContact O-ND2 3.41Å; K847-N851 PolarHBondContact O-OD1 2.9Å |
| 848 | N | 95.2 | Very high | 94.5 | Very high | 101 Ų | 101 | 98.8 Ų | 98.8 | 54% | 0.54 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 178 | -69.7 | -23.2 | 0 | 0 | 0 | 112.1 | E844 K845 I846 S852 | E844-N848 WeakPolarHBondContact O-CB 3.43Å; E844-N848 PolarHBondContact O-N 3.48Å; E844-N848 PolarHBondContact O-ND2 3.41Å; K845-N848 PolarHBondContact O-N 3.23Å; I846-N848 PolarHBondContact O-N 2.91Å; N848-S852 WeakPolarHBondContact O-CB 3.33Å; N848-S852 PolarHBondContact O-N 3.05Å |
| 849 | F | 94.3 | Very high | 94.5 | Very high | 126 Ų | 126 | 98.1 Ų | 98.1 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -47.4 | 173.7 | 178.7 | -94.5 | 0 | 0 | 0 | 112 | K845 I846 S852 Y853 | K845-F849 WeakPolarHBondContact O-CB 3.47Å; K845-F849 PolarHBondContact O-N 3.4Å; I846-F849 PolarHBondContact O-N 3.43Å; F849-S852 PolarHBondContact O-N 2.83Å; F849-Y853 HydrophobicContact CD1-CD2 4.25Å; F849-Y853 HydrophobicContact CD2-CD2 4.34Å; F849-Y853 AromaticContact CE1-CD2 3.71Å; F849-Y853 HydrophobicContact CE1-CD2 3.71Å; F849-Y853 AromaticContact CE1-CE2 3.9Å; F849-Y853 HydrophobicContact CE1-CE2 3.9Å; F849-Y853 AromaticContact CE2-CD2 3.83Å; F849-Y853 HydrophobicContact CE2-CD2 3.83Å; F849-Y853 AromaticContact CE2-CE2 3.6Å; F849-Y853 HydrophobicContact CE2-CE2 3.6Å; F849-Y853 AromaticContact CZ-CD2 3.5Å; F849-Y853 HydrophobicContact CZ-CD2 3.5Å; F849-Y853 VanDerWaalsContact CZ-CD2 3.5Å; F849-Y853 AromaticContact CZ-CE2 3.24Å; F849-Y853 HydrophobicContact CZ-CE2 3.24Å; F849-Y853 PolarHBondContact O-N 2.81Å |
| 850 | I | 95 | Very high | 94.6 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -49.7 | 175.9 | -69.5 | 167.4 | 0 | 0 | 0 | 110.3 | I846 K847 S852 Y853 E854 | I846-I850 HydrophobicContact CG2-CD1 3.75Å; I846-I850 HydrophobicContact CG2-CG1 4.42Å; I846-I850 VanDerWaalsContact O-CG1 3.31Å; I846-I850 WeakPolarHBondContact O-CG1 3.4Å; I846-I850 PolarHBondContact O-N 3.39Å; K847-I850 PolarHBondContact O-N 3.22Å; I850-S852 VanDerWaalsContact C-N 3.29Å; I850-S852 PolarHBondContact O-N 3.49Å; I850-Y853 PolarHBondContact O-N 2.96Å; I850-E854 WeakPolarHBondContact O-CB 3.49Å; I850-E854 PolarHBondContact O-N 3.44Å |
| 851 | N | 94.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 99.9 Ų | 99.9 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 177.8 | -69.2 | -13.8 | 0 | 0 | 0 | 112.2 | K847 Q855 | K847-N851 WeakPolarHBondContact O-CB 3.45Å; K847-N851 PolarHBondContact O-N 2.95Å; K847-N851 PolarHBondContact O-ND2 3.41Å; K847-N851 PolarHBondContact O-OD1 2.9Å; N851-Q855 WeakPolarHBondContact O-CB 3.31Å; N851-Q855 VanDerWaalsContact O-CG 3.29Å; N851-Q855 WeakPolarHBondContact O-CG 3.5Å; N851-Q855 PolarHBondContact O-N 3.19Å |
| 852 | S | 95 | Very high | 94.8 | Very high | 54 Ų | 54 | 101.2 Ų | 101.2 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 177.2 | -171.3 | 0 | 0 | 0 | 0 | 112 | N848 F849 I850 Q855 Q856 | N848-S852 WeakPolarHBondContact O-CB 3.33Å; N848-S852 PolarHBondContact O-N 3.05Å; F849-S852 PolarHBondContact O-N 2.83Å; I850-S852 VanDerWaalsContact C-N 3.29Å; I850-S852 PolarHBondContact O-N 3.49Å; S852-Q855 PolarHBondContact O-N 3.11Å; S852-Q856 WeakPolarHBondContact O-CG 3.24Å; S852-Q856 PolarHBondContact O-N 3.48Å; S852-Q856 PolarHBondContact OG-NE2 3.47Å |
| 853 | Y | 94.3 | Very high | 94.9 | Very high | 123 Ų | 123 | 100.6 Ų | 100.6 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.1 | -109.4 | -91.2 | 0 | 0 | 0 | 112.1 | F849 I850 Q856 L857 | F849-Y853 HydrophobicContact CD1-CD2 4.25Å; F849-Y853 HydrophobicContact CD2-CD2 4.34Å; F849-Y853 AromaticContact CE1-CD2 3.71Å; F849-Y853 HydrophobicContact CE1-CD2 3.71Å; F849-Y853 AromaticContact CE1-CE2 3.9Å; F849-Y853 HydrophobicContact CE1-CE2 3.9Å; F849-Y853 AromaticContact CE2-CD2 3.83Å; F849-Y853 HydrophobicContact CE2-CD2 3.83Å; F849-Y853 AromaticContact CE2-CE2 3.6Å; F849-Y853 HydrophobicContact CE2-CE2 3.6Å; F849-Y853 AromaticContact CZ-CD2 3.5Å; F849-Y853 HydrophobicContact CZ-CD2 3.5Å; F849-Y853 VanDerWaalsContact CZ-CD2 3.5Å; F849-Y853 AromaticContact CZ-CE2 3.24Å; F849-Y853 HydrophobicContact CZ-CE2 3.24Å; F849-Y853 PolarHBondContact O-N 2.81Å; I850-Y853 PolarHBondContact O-N 2.96Å; Y853-Q856 PolarHBondContact O-N 3.26Å; Y853-L857 WeakPolarHBondContact O-CB 3.46Å; Y853-L857 WeakPolarHBondContact O-CG 3.25Å; Y853-L857 PolarHBondContact O-N 2.96Å |
| 854 | E | 94.8 | Very high | 94.9 | Very high | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 176.2 | -168.4 | -174.9 | 158.2 | 0 | 0 | 111.4 | I850 Q856 L857 N858 | I850-E854 WeakPolarHBondContact O-CB 3.49Å; I850-E854 PolarHBondContact O-N 3.44Å; E854-Q856 PolarHBondContact O-N 2.92Å; E854-L857 PolarHBondContact O-N 2.94Å; E854-N858 VanDerWaalsContact O-CB 3.29Å; E854-N858 WeakPolarHBondContact O-CB 3.47Å; E854-N858 VanDerWaalsContact O-CG 3.26Å; E854-N858 PolarHBondContact O-N 2.96Å; E854-N858 PolarHBondContact O-ND2 2.86Å |
| 855 | Q | 94.8 | Very high | 95 | Very high | 131 Ų | 131 | 98.8 Ų | 98.8 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 174.3 | -74.9 | 175.6 | 8 | 0 | 0 | 112.8 | N851 S852 T859 | N851-Q855 WeakPolarHBondContact O-CB 3.31Å; N851-Q855 VanDerWaalsContact O-CG 3.29Å; N851-Q855 WeakPolarHBondContact O-CG 3.5Å; N851-Q855 PolarHBondContact O-N 3.19Å; S852-Q855 PolarHBondContact O-N 3.11Å; Q855-T859 WeakPolarHBondContact O-CB 3.43Å; Q855-T859 PolarHBondContact O-N 3.38Å; Q855-T859 PolarHBondContact O-OG1 2.93Å |
| 856 | Q | 95.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 98.5 Ų | 98.5 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 176 | -71.7 | 176.1 | 47 | 0 | 0 | 111.7 | S852 Y853 E854 T859 T860 | S852-Q856 WeakPolarHBondContact O-CG 3.24Å; S852-Q856 PolarHBondContact O-N 3.48Å; S852-Q856 PolarHBondContact OG-NE2 3.47Å; Y853-Q856 PolarHBondContact O-N 3.26Å; E854-Q856 PolarHBondContact O-N 2.92Å; Q856-T859 PolarHBondContact O-N 3.35Å; Q856-T860 PolarHBondContact O-N 2.95Å; Q856-T860 PolarHBondContact O-OG1 3.32Å; Q856-T860 VanDerWaalsContact O-OG1 3.08Å |
| 857 | L | 94.6 | Very high | 95.1 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 176.3 | -72.9 | 170 | 0 | 0 | 0 | 111.7 | Y853 E854 T859 T860 L861 | Y853-L857 WeakPolarHBondContact O-CB 3.46Å; Y853-L857 WeakPolarHBondContact O-CG 3.25Å; Y853-L857 PolarHBondContact O-N 2.96Å; E854-L857 PolarHBondContact O-N 2.94Å; L857-T859 VanDerWaalsContact C-N 3.33Å; L857-T859 PolarHBondContact O-N 2.91Å; L857-T860 PolarHBondContact O-N 3.41Å; L857-L861 WeakPolarHBondContact O-CB 3.33Å; L857-L861 PolarHBondContact O-N 3.24Å |
| 858 | N | 95.9 | Very high | 95.1 | Very high | 74 Ų | 74 | 95.8 Ų | 95.8 | 40% | 0.396 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 176.1 | -75.9 | -28.9 | 0 | 0 | 0 | 111.8 | E854 L861 I862 | E854-N858 VanDerWaalsContact O-CB 3.29Å; E854-N858 WeakPolarHBondContact O-CB 3.47Å; E854-N858 VanDerWaalsContact O-CG 3.26Å; E854-N858 PolarHBondContact O-N 2.96Å; E854-N858 PolarHBondContact O-ND2 2.86Å; N858-L861 PolarHBondContact O-N 3.08Å; N858-I862 WeakPolarHBondContact O-CB 3.22Å; N858-I862 WeakPolarHBondContact O-CD1 3.44Å; N858-I862 VanDerWaalsContact O-CG1 3.23Å; N858-I862 WeakPolarHBondContact O-CG1 3.41Å; N858-I862 PolarHBondContact O-N 2.78Å |
| 859 | T | 95.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 95.7 Ų | 95.7 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | Q855 Q856 L857 N863 | Q855-T859 WeakPolarHBondContact O-CB 3.43Å; Q855-T859 PolarHBondContact O-N 3.38Å; Q855-T859 PolarHBondContact O-OG1 2.93Å; Q856-T859 PolarHBondContact O-N 3.35Å; L857-T859 VanDerWaalsContact C-N 3.33Å; L857-T859 PolarHBondContact O-N 2.91Å; T859-N863 WeakPolarHBondContact O-CB 3.43Å; T859-N863 VanDerWaalsContact O-CG 3.29Å; T859-N863 PolarHBondContact O-N 3.06Å; T859-N863 PolarHBondContact O-ND2 3.32Å |
| 860 | T | 94.8 | Very high | 95.3 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 56% | 0.564 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 175.8 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | Q856 L857 N863 Q864 | Q856-T860 PolarHBondContact O-N 2.95Å; Q856-T860 PolarHBondContact O-OG1 3.32Å; Q856-T860 VanDerWaalsContact O-OG1 3.08Å; L857-T860 PolarHBondContact O-N 3.41Å; T860-N863 PolarHBondContact O-N 2.9Å; T860-Q864 PolarHBondContact O-N 3.35Å |
| 861 | L | 96 | Very high | 95.3 | Very high | 89 Ų | 89 | 97.4 Ų | 97.4 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 176.9 | -176.1 | 64.6 | 0 | 0 | 0 | 111.5 | L857 N858 N863 Q864 D865 | L857-L861 WeakPolarHBondContact O-CB 3.33Å; L857-L861 PolarHBondContact O-N 3.24Å; N858-L861 PolarHBondContact O-N 3.08Å; L861-N863 PolarHBondContact O-N 3.27Å; L861-Q864 WeakPolarHBondContact O-CB 3.37Å; L861-Q864 PolarHBondContact O-N 3.03Å; L861-D865 PolarHBondContact O-N 3.46Å |
| 862 | I | 95.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.9 | -37.5 | 175.7 | -71.4 | 165.2 | 0 | 0 | 0 | 111.5 | N858 K866 | N858-I862 WeakPolarHBondContact O-CB 3.22Å; N858-I862 WeakPolarHBondContact O-CD1 3.44Å; N858-I862 VanDerWaalsContact O-CG1 3.23Å; N858-I862 WeakPolarHBondContact O-CG1 3.41Å; N858-I862 PolarHBondContact O-N 2.78Å; I862-K866 HydrophobicContact CG2-CD 4.37Å; I862-K866 VanDerWaalsContact O-CG 3.29Å; I862-K866 WeakPolarHBondContact O-CG 3.4Å; I862-K866 PolarHBondContact O-N 3.32Å; I862-K866 VanDerWaalsContact O-N 3.1Å |
| 863 | N | 94.6 | Very high | 95.4 | Very high | 82 Ų | 82 | 103.1 Ų | 103.1 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.6 | -36.4 | 176.8 | -73 | -24.5 | 0 | 0 | 0 | 112.3 | T859 T860 L861 K866 Q867 | T859-N863 WeakPolarHBondContact O-CB 3.43Å; T859-N863 VanDerWaalsContact O-CG 3.29Å; T859-N863 PolarHBondContact O-N 3.06Å; T859-N863 PolarHBondContact O-ND2 3.32Å; T860-N863 PolarHBondContact O-N 2.9Å; L861-N863 PolarHBondContact O-N 3.27Å; N863-K866 PolarHBondContact O-N 2.76Å; N863-Q867 WeakPolarHBondContact O-CG 3.25Å; N863-Q867 PolarHBondContact O-N 2.91Å; N863-Q867 VanDerWaalsContact O-N 3.08Å |
| 864 | Q | 95.5 | Very high | 95.5 | Very high | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 172.6 | -175.1 | 174.4 | -5.2 | 0 | 0 | 111.5 | T860 L861 K866 Q867 N868 | T860-Q864 PolarHBondContact O-N 3.35Å; L861-Q864 WeakPolarHBondContact O-CB 3.37Å; L861-Q864 PolarHBondContact O-N 3.03Å; Q864-K866 PolarHBondContact O-N 3.46Å; Q864-Q867 WeakPolarHBondContact O-CB 3.43Å; Q864-Q867 PolarHBondContact O-N 2.92Å; Q864-Q867 VanDerWaalsContact O-N 3.15Å; Q864-N868 VanDerWaalsContact O-CG 3.24Å; Q864-N868 PolarHBondContact O-N 3.14Å; Q864-N868 PolarHBondContact O-ND2 2.83Å |
| 865 | D | 95.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 103 Ų | 103 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176.5 | -72.2 | -22.4 | 0 | 0 | 0 | 112 | L861 Q867 N868 E869 | L861-D865 PolarHBondContact O-N 3.46Å; D865-Q867 VanDerWaalsContact C-N 3.32Å; D865-Q867 PolarHBondContact O-N 3.45Å; D865-N868 PolarHBondContact O-N 3.41Å; D865-E869 WeakPolarHBondContact O-CB 3.48Å; D865-E869 PolarHBondContact O-N 3.35Å |
| 866 | K | 95.8 | Very high | 95.7 | Very high | 122 Ų | 122 | 101.8 Ų | 101.8 | 53% | 0.53 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 172.2 | -73.4 | 168.6 | -174.8 | 169.8 | 0 | 112.8 | I862 N863 Q864 F870 | I862-K866 HydrophobicContact CG2-CD 4.37Å; I862-K866 VanDerWaalsContact O-CG 3.29Å; I862-K866 WeakPolarHBondContact O-CG 3.4Å; I862-K866 PolarHBondContact O-N 3.32Å; I862-K866 VanDerWaalsContact O-N 3.1Å; N863-K866 PolarHBondContact O-N 2.76Å; Q864-K866 PolarHBondContact O-N 3.46Å; K866-F870 WeakPolarHBondContact O-CB 3.47Å; K866-F870 PolarHBondContact O-N 3.26Å |
| 867 | Q | 95.1 | Very high | 95.7 | Very high | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 175 | -71.8 | -69.1 | -18.3 | 0 | 0 | 111.1 | N863 Q864 D865 E869 F870 Y871 | N863-Q867 WeakPolarHBondContact O-CG 3.25Å; N863-Q867 PolarHBondContact O-N 2.91Å; N863-Q867 VanDerWaalsContact O-N 3.08Å; Q864-Q867 WeakPolarHBondContact O-CB 3.43Å; Q864-Q867 PolarHBondContact O-N 2.92Å; Q864-Q867 VanDerWaalsContact O-N 3.15Å; D865-Q867 VanDerWaalsContact C-N 3.32Å; D865-Q867 PolarHBondContact O-N 3.45Å; Q867-E869 PolarHBondContact O-N 3.03Å; Q867-F870 WeakPolarHBondContact O-CB 3.39Å; Q867-F870 PolarHBondContact O-N 3.42Å; Q867-Y871 HydrophobicContact CB-CE2 4.23Å; Q867-Y871 WeakPolarHBondContact O-CD2 3.32Å; Q867-Y871 PolarHBondContact O-N 2.72Å |
| 868 | N | 95.7 | Very high | 95.8 | Very high | 72 Ų | 72 | 102.2 Ų | 102.2 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 174.6 | -68 | -23 | 0 | 0 | 0 | 111.1 | Q864 D865 F870 Y871 E872 | Q864-N868 VanDerWaalsContact O-CG 3.24Å; Q864-N868 PolarHBondContact O-N 3.14Å; Q864-N868 PolarHBondContact O-ND2 2.83Å; D865-N868 PolarHBondContact O-N 3.41Å; N868-F870 VanDerWaalsContact C-N 3.29Å; N868-F870 PolarHBondContact O-N 2.82Å; N868-Y871 PolarHBondContact O-N 2.86Å; N868-Y871 VanDerWaalsContact O-N 3.1Å; N868-E872 PolarHBondContact O-N 2.85Å |
| 869 | E | 95.9 | Very high | 95.9 | Very high | 98 Ų | 98 | 101 Ų | 101 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 176.7 | -161.1 | -154.8 | -178.9 | 0 | 0 | 112 | D865 Q867 K873 | D865-E869 WeakPolarHBondContact O-CB 3.48Å; D865-E869 PolarHBondContact O-N 3.35Å; Q867-E869 PolarHBondContact O-N 3.03Å; E869-K873 HydrophobicContact CG-CD 4.47Å; E869-K873 WeakPolarHBondContact O-CB 3.31Å; E869-K873 VanDerWaalsContact O-CG 3.26Å; E869-K873 WeakPolarHBondContact O-CG 3.36Å; E869-K873 PolarHBondContact O-N 2.83Å; E869-K873 WeakPolarHBondContact OE1-CE 3.47Å; E869-K873 IonicContact OE1-NZ 2.63Å; E869-K873 PolarHBondContact OE1-NZ 2.93Å; E869-K873 IonicContact OE2-NZ 2.97Å; E869-K873 PolarHBondContact OE2-NZ 3.19Å |
| 870 | F | 96.1 | Very high | 95.9 | Very high | 117 Ų | 117 | 104 Ų | 104 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 173.3 | 176.8 | -98.6 | 0 | 0 | 0 | 112.4 | K866 Q867 N868 K873 K874 | K866-F870 WeakPolarHBondContact O-CB 3.47Å; K866-F870 PolarHBondContact O-N 3.26Å; Q867-F870 WeakPolarHBondContact O-CB 3.39Å; Q867-F870 PolarHBondContact O-N 3.42Å; N868-F870 VanDerWaalsContact C-N 3.29Å; N868-F870 PolarHBondContact O-N 2.82Å; F870-K873 PolarHBondContact O-N 3.41Å; F870-K874 WeakPolarHBondContact O-CB 3.28Å; F870-K874 PolarHBondContact O-N 2.93Å |
| 871 | Y | 94.8 | Very high | 96 | Very high | 137 Ų | 137 | 103.4 Ų | 103.4 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.6 | -70.2 | -57.8 | 0 | 0 | 0 | 112.2 | Q867 N868 K874 L875 | Q867-Y871 HydrophobicContact CB-CE2 4.23Å; Q867-Y871 WeakPolarHBondContact O-CD2 3.32Å; Q867-Y871 PolarHBondContact O-N 2.72Å; N868-Y871 PolarHBondContact O-N 2.86Å; N868-Y871 VanDerWaalsContact O-N 3.1Å; Y871-K874 PolarHBondContact O-N 3.47Å; Y871-L875 WeakPolarHBondContact O-CB 3.5Å; Y871-L875 PolarHBondContact O-N 3.35Å |
| 872 | E | 95.7 | Very high | 96 | Very high | 124 Ų | 124 | 107.3 Ų | 107.3 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 173.4 | -72.8 | -167.9 | 164 | 0 | 0 | 112 | N868 K874 L875 N876 | N868-E872 PolarHBondContact O-N 2.85Å; E872-K874 VanDerWaalsContact C-N 3.29Å; E872-K874 PolarHBondContact O-N 3.45Å; E872-L875 PolarHBondContact O-N 2.83Å; E872-N876 WeakPolarHBondContact O-CB 3.48Å; E872-N876 PolarHBondContact O-N 2.82Å; E872-N876 PolarHBondContact O-ND2 2.99Å; E872-N876 VanDerWaalsContact O-ND2 3.14Å |
| 873 | K | 96.2 | Very high | 96.1 | Very high | 117 Ų | 117 | 111 Ų | 111 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | 173.8 | -75.3 | 167.1 | -176.3 | 166.5 | 0 | 111.6 | E869 F870 K877 | E869-K873 HydrophobicContact CG-CD 4.47Å; E869-K873 WeakPolarHBondContact O-CB 3.31Å; E869-K873 VanDerWaalsContact O-CG 3.26Å; E869-K873 WeakPolarHBondContact O-CG 3.36Å; E869-K873 PolarHBondContact O-N 2.83Å; E869-K873 WeakPolarHBondContact OE1-CE 3.47Å; E869-K873 IonicContact OE1-NZ 2.63Å; E869-K873 PolarHBondContact OE1-NZ 2.93Å; E869-K873 IonicContact OE2-NZ 2.97Å; E869-K873 PolarHBondContact OE2-NZ 3.19Å; F870-K873 PolarHBondContact O-N 3.41Å; K873-K877 WeakPolarHBondContact O-CB 3.45Å; K873-K877 PolarHBondContact O-N 2.95Å |
| 874 | K | 96.8 | Very high | 96.2 | Very high | 117 Ų | 117 | 111.8 Ų | 111.8 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 176.3 | -170.7 | 176.6 | -178.9 | -179.9 | 0 | 112.3 | F870 Y871 E872 K877 L878 | F870-K874 WeakPolarHBondContact O-CB 3.28Å; F870-K874 PolarHBondContact O-N 2.93Å; Y871-K874 PolarHBondContact O-N 3.47Å; E872-K874 VanDerWaalsContact C-N 3.29Å; E872-K874 PolarHBondContact O-N 3.45Å; K874-K877 PolarHBondContact O-N 3.06Å; K874-L878 HydrophobicContact CG-CD1 4.42Å; K874-L878 WeakPolarHBondContact O-CG 3.45Å; K874-L878 PolarHBondContact O-N 3.48Å |
| 875 | L | 96.2 | Very high | 96.2 | Very high | 109 Ų | 109 | 111.4 Ų | 111.4 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 176.6 | -179 | 62 | 0 | 0 | 0 | 111.8 | Y871 E872 L878 T879 | Y871-L875 WeakPolarHBondContact O-CB 3.5Å; Y871-L875 PolarHBondContact O-N 3.35Å; E872-L875 PolarHBondContact O-N 2.83Å; L875-L878 PolarHBondContact O-N 2.95Å; L875-T879 VanDerWaalsContact O-CB 3.31Å; L875-T879 WeakPolarHBondContact O-CB 3.38Å; L875-T879 PolarHBondContact O-N 2.87Å; L875-T879 PolarHBondContact O-OG1 3.27Å |
| 876 | N | 96.9 | Very high | 96.3 | Very high | 106 Ų | 106 | 110.3 Ų | 110.3 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 175.1 | -77.5 | -38.1 | 0 | 0 | 0 | 111.6 | E872 T879 Y880 | E872-N876 WeakPolarHBondContact O-CB 3.48Å; E872-N876 PolarHBondContact O-N 2.82Å; E872-N876 PolarHBondContact O-ND2 2.99Å; E872-N876 VanDerWaalsContact O-ND2 3.14Å; N876-T879 PolarHBondContact O-N 2.72Å; N876-Y880 PolarHBondContact O-N 3.35Å |
| 877 | K | 96.9 | Very high | 96.3 | Very high | 131 Ų | 131 | 110.3 Ų | 110.3 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -50.2 | 173.6 | 179.7 | 175.9 | 171 | 178 | 0 | 112.1 | K873 K874 T879 Y880 E881 | K873-K877 WeakPolarHBondContact O-CB 3.45Å; K873-K877 PolarHBondContact O-N 2.95Å; K874-K877 PolarHBondContact O-N 3.06Å; K877-T879 VanDerWaalsContact C-N 3.28Å; K877-T879 PolarHBondContact O-N 3.37Å; K877-Y880 WeakPolarHBondContact O-CB 3.45Å; K877-Y880 PolarHBondContact O-N 2.84Å; K877-Y880 VanDerWaalsContact O-N 3.16Å; K877-E881 WeakPolarHBondContact CE-OE1 3.36Å; K877-E881 IonicContact NZ-OE1 3.82Å; K877-E881 WeakPolarHBondContact O-CG 3.48Å; K877-E881 PolarHBondContact O-N 3.22Å |
| 878 | L | 96.8 | Very high | 96.4 | Very high | 95 Ų | 95 | 114 Ų | 114 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | 177.8 | -72.1 | 170.3 | 0 | 0 | 0 | 112.2 | K874 L875 E881 R882 | K874-L878 HydrophobicContact CG-CD1 4.42Å; K874-L878 WeakPolarHBondContact O-CG 3.45Å; K874-L878 PolarHBondContact O-N 3.48Å; L875-L878 PolarHBondContact O-N 2.95Å; L878-E881 PolarHBondContact O-N 2.95Å; L878-R882 WeakPolarHBondContact O-CB 3.37Å; L878-R882 PolarHBondContact O-N 3.45Å |
| 879 | T | 96.9 | Very high | 96.4 | Very high | 49 Ų | 49 | 115 Ų | 115 | 30% | 0.301 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 175.4 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | L875 N876 K877 R883 | L875-T879 VanDerWaalsContact O-CB 3.31Å; L875-T879 WeakPolarHBondContact O-CB 3.38Å; L875-T879 PolarHBondContact O-N 2.87Å; L875-T879 PolarHBondContact O-OG1 3.27Å; N876-T879 PolarHBondContact O-N 2.72Å; K877-T879 VanDerWaalsContact C-N 3.28Å; K877-T879 PolarHBondContact O-N 3.37Å; T879-R883 WeakPolarHBondContact O-CG 3.36Å; T879-R883 PolarHBondContact O-N 2.97Å; T879-R883 VanDerWaalsContact O-N 3.12Å |
| 880 | Y | 96.5 | Very high | 96.4 | Very high | 139 Ų | 139 | 114.9 Ų | 114.9 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 173.6 | 178.1 | -92.3 | 0 | 0 | 0 | 112 | N876 K877 R882 R883 Q884 | N876-Y880 PolarHBondContact O-N 3.35Å; K877-Y880 WeakPolarHBondContact O-CB 3.45Å; K877-Y880 PolarHBondContact O-N 2.84Å; K877-Y880 VanDerWaalsContact O-N 3.16Å; Y880-R882 VanDerWaalsContact C-N 3.33Å; Y880-R882 PolarHBondContact O-N 2.95Å; Y880-R883 PolarHBondContact O-N 3.45Å; Y880-Q884 HydrophobicContact CD1-CG 4.32Å; Y880-Q884 HydrophobicContact CE1-CG 3.9Å; Y880-Q884 WeakPolarHBondContact O-CG 3.47Å; Y880-Q884 PolarHBondContact O-N 3.21Å; Y880-Q884 VanDerWaalsContact O-N 3.07Å; Y880-Q884 PolarHBondContact OH-NE2 3.05Å |
| 881 | E | 96.6 | Very high | 96.4 | Very high | 81 Ų | 81 | 113 Ų | 113 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.7 | -72.7 | 173.4 | 177.8 | 0 | 0 | 111.7 | K877 L878 R883 Q884 I885 | K877-E881 WeakPolarHBondContact CE-OE1 3.36Å; K877-E881 IonicContact NZ-OE1 3.82Å; K877-E881 WeakPolarHBondContact O-CG 3.48Å; K877-E881 PolarHBondContact O-N 3.22Å; L878-E881 PolarHBondContact O-N 2.95Å; E881-R883 PolarHBondContact O-N 2.97Å; E881-Q884 PolarHBondContact O-N 3.4Å; E881-I885 WeakPolarHBondContact O-CG1 3.46Å; E881-I885 PolarHBondContact O-N 2.93Å |
| 882 | R | 96.3 | Very high | 96.5 | Very high | 170 Ų | 170 | 110.2 Ų | 110.2 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.2 | -48.2 | 173.4 | -179.9 | -179 | 169.1 | -172.2 | 1.3 | 112 | L878 Y880 Q884 I885 D886 | L878-R882 WeakPolarHBondContact O-CB 3.37Å; L878-R882 PolarHBondContact O-N 3.45Å; Y880-R882 VanDerWaalsContact C-N 3.33Å; Y880-R882 PolarHBondContact O-N 2.95Å; R882-Q884 VanDerWaalsContact C-N 3.27Å; R882-Q884 PolarHBondContact O-N 2.89Å; R882-I885 PolarHBondContact O-N 3.12Å; R882-I885 VanDerWaalsContact O-N 3.1Å; R882-D886 IonicContact NE-OD2 3.5Å; R882-D886 PolarHBondContact O-N 3.27Å |
| 883 | R | 96.6 | Very high | 96.6 | Very high | 166 Ų | 166 | 107.1 Ų | 107.1 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.3 | -37.6 | 177.9 | -71 | 174.1 | -165.2 | 174.9 | 6.6 | 112.2 | T879 Y880 E881 D886 M887 | T879-R883 WeakPolarHBondContact O-CG 3.36Å; T879-R883 PolarHBondContact O-N 2.97Å; T879-R883 VanDerWaalsContact O-N 3.12Å; Y880-R883 PolarHBondContact O-N 3.45Å; E881-R883 PolarHBondContact O-N 2.97Å; R883-D886 PolarHBondContact O-N 2.97Å; R883-M887 WeakPolarHBondContact O-CB 3.36Å; R883-M887 WeakPolarHBondContact O-CG 3.33Å; R883-M887 PolarHBondContact O-N 3.27Å |
| 884 | Q | 96.4 | Very high | 96.6 | Very high | 99 Ų | 99 | 105.5 Ų | 105.5 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.6 | -68.7 | -71.8 | 15.5 | 0 | 0 | 112.1 | Y880 E881 R882 R888 | Y880-Q884 HydrophobicContact CD1-CG 4.32Å; Y880-Q884 HydrophobicContact CE1-CG 3.9Å; Y880-Q884 WeakPolarHBondContact O-CG 3.47Å; Y880-Q884 PolarHBondContact O-N 3.21Å; Y880-Q884 VanDerWaalsContact O-N 3.07Å; Y880-Q884 PolarHBondContact OH-NE2 3.05Å; E881-Q884 PolarHBondContact O-N 3.4Å; R882-Q884 VanDerWaalsContact C-N 3.27Å; R882-Q884 PolarHBondContact O-N 2.89Å; Q884-R888 WeakPolarHBondContact O-CB 3.38Å; Q884-R888 PolarHBondContact O-N 3.49Å |
| 885 | I | 96.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 174.6 | -67 | 167 | 0 | 0 | 0 | 110.7 | E881 R882 M887 R888 I889 | E881-I885 WeakPolarHBondContact O-CG1 3.46Å; E881-I885 PolarHBondContact O-N 2.93Å; R882-I885 PolarHBondContact O-N 3.12Å; R882-I885 VanDerWaalsContact O-N 3.1Å; I885-M887 VanDerWaalsContact C-N 3.34Å; I885-M887 PolarHBondContact O-N 3.43Å; I885-R888 WeakPolarHBondContact O-CB 3.48Å; I885-R888 PolarHBondContact O-N 3Å; I885-R888 VanDerWaalsContact O-N 3.09Å; I885-I889 HydrophobicContact CG2-CD1 3.77Å; I885-I889 HydrophobicContact CG2-CG1 4.33Å; I885-I889 WeakPolarHBondContact O-CG1 3.46Å; I885-I889 PolarHBondContact O-N 2.91Å |
| 886 | D | 96.5 | Very high | 96.5 | Very high | 64 Ų | 64 | 104.3 Ų | 104.3 | 34% | 0.342 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 178 | -68.7 | -24.2 | 0 | 0 | 0 | 110.8 | R882 R883 R888 I889 I890 | R882-D886 IonicContact NE-OD2 3.5Å; R882-D886 PolarHBondContact O-N 3.27Å; R883-D886 PolarHBondContact O-N 2.97Å; D886-R888 PolarHBondContact O-N 2.91Å; D886-I889 PolarHBondContact O-N 3.48Å; D886-I890 WeakPolarHBondContact O-CG1 3.32Å; D886-I890 PolarHBondContact O-N 2.88Å |
| 887 | M | 95.8 | Very high | 96.5 | Very high | 121 Ų | 121 | 104.6 Ų | 104.6 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | 173.8 | -75.2 | -60.7 | -58.9 | 0 | 0 | 113.1 | R883 I885 I890 S891 | R883-M887 WeakPolarHBondContact O-CB 3.36Å; R883-M887 WeakPolarHBondContact O-CG 3.33Å; R883-M887 PolarHBondContact O-N 3.27Å; I885-M887 VanDerWaalsContact C-N 3.34Å; I885-M887 PolarHBondContact O-N 3.43Å; M887-I890 PolarHBondContact O-N 3.39Å; M887-S891 PolarHBondContact O-N 2.9Å |
| 888 | R | 97.1 | Very high | 96.4 | Very high | 181 Ų | 181 | 103.9 Ų | 103.9 | 68% | 0.683 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | 175.7 | -174.6 | 177.5 | -179.3 | 177 | 0.6 | 111.8 | Q884 I885 D886 S891 L892 | Q884-R888 WeakPolarHBondContact O-CB 3.38Å; Q884-R888 PolarHBondContact O-N 3.49Å; I885-R888 WeakPolarHBondContact O-CB 3.48Å; I885-R888 PolarHBondContact O-N 3Å; I885-R888 VanDerWaalsContact O-N 3.09Å; D886-R888 PolarHBondContact O-N 2.91Å; R888-S891 PolarHBondContact O-N 3.24Å; R888-L892 HydrophobicContact CG-CD1 4.08Å; R888-L892 WeakPolarHBondContact O-CB 3.48Å; R888-L892 WeakPolarHBondContact O-CG 3.42Å; R888-L892 PolarHBondContact O-N 2.98Å |
| 889 | I | 96.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 175.9 | -70.1 | 168.3 | 0 | 0 | 0 | 110.3 | I885 D886 S891 L892 T893 | I885-I889 HydrophobicContact CG2-CD1 3.77Å; I885-I889 HydrophobicContact CG2-CG1 4.33Å; I885-I889 WeakPolarHBondContact O-CG1 3.46Å; I885-I889 PolarHBondContact O-N 2.91Å; D886-I889 PolarHBondContact O-N 3.48Å; I889-S891 PolarHBondContact O-N 3.46Å; I889-L892 PolarHBondContact O-N 3.2Å; I889-T893 VanDerWaalsContact O-CB 3.3Å; I889-T893 WeakPolarHBondContact O-CB 3.31Å; I889-T893 PolarHBondContact O-N 2.91Å; I889-T893 PolarHBondContact O-OG1 3.43Å |
| 890 | I | 96.9 | Very high | 96.4 | Very high | 97 Ų | 97 | 106.6 Ų | 106.6 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 175.5 | -69.2 | 162.9 | 0 | 0 | 0 | 110.4 | D886 M887 L892 T893 E894 | D886-I890 WeakPolarHBondContact O-CG1 3.32Å; D886-I890 PolarHBondContact O-N 2.88Å; M887-I890 PolarHBondContact O-N 3.39Å; I890-L892 PolarHBondContact O-N 3.5Å; I890-T893 PolarHBondContact O-N 3.22Å; I890-E894 PolarHBondContact O-N 2.88Å |
| 891 | S | 96.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 104.9 Ų | 104.9 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 178.9 | -171 | 0 | 0 | 0 | 0 | 112.6 | M887 R888 I889 T893 E894 E895 | M887-S891 PolarHBondContact O-N 2.9Å; R888-S891 PolarHBondContact O-N 3.24Å; I889-S891 PolarHBondContact O-N 3.46Å; S891-T893 VanDerWaalsContact C-N 3.31Å; S891-T893 PolarHBondContact O-N 2.88Å; S891-E894 PolarHBondContact O-N 3.29Å; S891-E895 PolarHBondContact O-N 2.88Å |
| 892 | L | 96.6 | Very high | 96.2 | Very high | 78 Ų | 78 | 105.9 Ų | 105.9 | 41% | 0.408 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -33.9 | 177.2 | -70.8 | 170.2 | 0 | 0 | 0 | 112.6 | R888 I889 I890 E895 I896 | R888-L892 HydrophobicContact CG-CD1 4.08Å; R888-L892 WeakPolarHBondContact O-CB 3.48Å; R888-L892 WeakPolarHBondContact O-CG 3.42Å; R888-L892 PolarHBondContact O-N 2.98Å; I889-L892 PolarHBondContact O-N 3.2Å; I890-L892 PolarHBondContact O-N 3.5Å; L892-E895 PolarHBondContact O-N 3.36Å; L892-I896 VanDerWaalsContact O-CG1 3.26Å; L892-I896 WeakPolarHBondContact O-CG1 3.39Å; L892-I896 PolarHBondContact O-N 3.39Å |
| 893 | T | 97 | Very high | 96.2 | Very high | 58 Ų | 58 | 102.4 Ų | 102.4 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 177.4 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | I889 I890 S891 I896 K897 | I889-T893 VanDerWaalsContact O-CB 3.3Å; I889-T893 WeakPolarHBondContact O-CB 3.31Å; I889-T893 PolarHBondContact O-N 2.91Å; I889-T893 PolarHBondContact O-OG1 3.43Å; I890-T893 PolarHBondContact O-N 3.22Å; S891-T893 VanDerWaalsContact C-N 3.31Å; S891-T893 PolarHBondContact O-N 2.88Å; T893-I896 PolarHBondContact O-N 3.17Å; T893-K897 WeakPolarHBondContact O-CG 3.32Å; T893-K897 PolarHBondContact O-N 3.37Å |
| 894 | E | 95.8 | Very high | 96.1 | Very high | 83 Ų | 83 | 98.8 Ų | 98.8 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 173.5 | -65.8 | -52 | 135.1 | 0 | 0 | 112.3 | I890 S891 K897 Q898 | I890-E894 PolarHBondContact O-N 2.88Å; S891-E894 PolarHBondContact O-N 3.29Å; E894-K897 PolarHBondContact O-N 3.46Å; E894-K897 IonicContact OE1-NZ 2.64Å; E894-K897 PolarHBondContact OE1-NZ 3.5Å; E894-K897 WeakPolarHBondContact OE2-CD 3.41Å; E894-K897 IonicContact OE2-NZ 3.77Å; E894-Q898 WeakPolarHBondContact O-CG 3.37Å; E894-Q898 PolarHBondContact O-N 2.85Å |
| 895 | E | 96.1 | Very high | 96 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 171.9 | -171.6 | -178.4 | 174.4 | 0 | 0 | 111.4 | S891 L892 K897 Q898 K899 | S891-E895 PolarHBondContact O-N 2.88Å; L892-E895 PolarHBondContact O-N 3.36Å; E895-K897 PolarHBondContact O-N 3.36Å; E895-Q898 PolarHBondContact O-N 2.88Å; E895-K899 WeakPolarHBondContact O-CG 3.47Å; E895-K899 PolarHBondContact O-N 2.75Å |
| 896 | I | 96.1 | Very high | 95.8 | Very high | 99 Ų | 99 | 99.6 Ų | 99.6 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.9 | -69.8 | 164.3 | 0 | 0 | 0 | 110.8 | L892 T893 Q898 K899 D900 | L892-I896 VanDerWaalsContact O-CG1 3.26Å; L892-I896 WeakPolarHBondContact O-CG1 3.39Å; L892-I896 PolarHBondContact O-N 3.39Å; T893-I896 PolarHBondContact O-N 3.17Å; I896-Q898 VanDerWaalsContact C-N 3.29Å; I896-Q898 PolarHBondContact O-N 3.02Å; I896-K899 PolarHBondContact O-N 2.97Å; I896-K899 VanDerWaalsContact O-N 3.08Å; I896-D900 PolarHBondContact O-N 2.8Å |
| 897 | K | 96.3 | Very high | 95.7 | Very high | 112 Ų | 112 | 102.3 Ų | 102.3 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.8 | -41.3 | 175.3 | -74.7 | 170 | -178.7 | 174 | 0 | 112.5 | T893 E894 E895 L901 | T893-K897 WeakPolarHBondContact O-CG 3.32Å; T893-K897 PolarHBondContact O-N 3.37Å; E894-K897 PolarHBondContact O-N 3.46Å; E894-K897 IonicContact OE1-NZ 2.64Å; E894-K897 PolarHBondContact OE1-NZ 3.5Å; E894-K897 WeakPolarHBondContact OE2-CD 3.41Å; E894-K897 IonicContact OE2-NZ 3.77Å; E895-K897 PolarHBondContact O-N 3.36Å; K897-L901 WeakPolarHBondContact O-CB 3.42Å; K897-L901 PolarHBondContact O-N 2.86Å |
| 898 | Q | 95.8 | Very high | 95.5 | Very high | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 175.8 | -71.1 | 176.4 | 23.2 | 0 | 0 | 111.9 | E894 E895 I896 L901 Q902 | E894-Q898 WeakPolarHBondContact O-CG 3.37Å; E894-Q898 PolarHBondContact O-N 2.85Å; E895-Q898 PolarHBondContact O-N 2.88Å; I896-Q898 VanDerWaalsContact C-N 3.29Å; I896-Q898 PolarHBondContact O-N 3.02Å; Q898-L901 PolarHBondContact O-N 3.33Å; Q898-Q902 VanDerWaalsContact O-CG 3.32Å; Q898-Q902 WeakPolarHBondContact O-CG 3.34Å; Q898-Q902 PolarHBondContact O-N 3.34Å |
| 899 | K | 95.8 | Very high | 95.2 | Very high | 117 Ų | 117 | 95.7 Ų | 95.7 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 175 | -67.4 | -60.9 | -178.9 | -171.7 | 0 | 112.5 | E895 I896 L901 Q902 N903 | E895-K899 WeakPolarHBondContact O-CG 3.47Å; E895-K899 PolarHBondContact O-N 2.75Å; I896-K899 PolarHBondContact O-N 2.97Å; I896-K899 VanDerWaalsContact O-N 3.08Å; K899-L901 VanDerWaalsContact C-N 3.34Å; K899-Q902 PolarHBondContact O-N 3.07Å; K899-N903 VanDerWaalsContact O-CB 3.31Å; K899-N903 WeakPolarHBondContact O-CB 3.47Å; K899-N903 PolarHBondContact O-N 2.89Å |
| 900 | D | 96 | Very high | 94.9 | Very high | 85 Ų | 85 | 97.4 Ų | 97.4 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 175.9 | -76.3 | -25.9 | 0 | 0 | 0 | 111.4 | I896 N903 N904 | I896-D900 PolarHBondContact O-N 2.8Å; D900-N903 PolarHBondContact O-N 2.87Å; D900-N904 WeakPolarHBondContact O-CB 3.38Å; D900-N904 VanDerWaalsContact O-CG 3.26Å; D900-N904 PolarHBondContact O-N 2.99Å; D900-N904 PolarHBondContact O-ND2 3.49Å |
| 901 | L | 95.3 | Very high | 94.5 | Very high | 103 Ų | 103 | 96.1 Ų | 96.1 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -51.3 | 172.4 | -176.7 | 63.6 | 0 | 0 | 0 | 111.3 | K897 Q898 K899 N903 N904 E905 | K897-L901 WeakPolarHBondContact O-CB 3.42Å; K897-L901 PolarHBondContact O-N 2.86Å; Q898-L901 PolarHBondContact O-N 3.33Å; K899-L901 VanDerWaalsContact C-N 3.34Å; L901-N903 VanDerWaalsContact C-N 3.28Å; L901-N903 PolarHBondContact O-N 2.86Å; L901-N904 PolarHBondContact O-N 2.84Å; L901-N904 VanDerWaalsContact O-N 3.15Å; L901-E905 WeakPolarHBondContact O-CG 3.38Å; L901-E905 PolarHBondContact O-N 3.17Å |
| 902 | Q | 94.7 | Very high | 94.1 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.8 | -38.4 | 175.8 | -73.7 | 174 | -7.7 | 0 | 0 | 112.5 | Q898 K899 L906 | Q898-Q902 VanDerWaalsContact O-CG 3.32Å; Q898-Q902 WeakPolarHBondContact O-CG 3.34Å; Q898-Q902 PolarHBondContact O-N 3.34Å; K899-Q902 PolarHBondContact O-N 3.07Å; Q902-L906 WeakPolarHBondContact O-CB 3.16Å; Q902-L906 PolarHBondContact O-N 2.88Å |
| 903 | N | 95.2 | Very high | 93.5 | Very high | 97 Ų | 97 | 100.4 Ų | 100.4 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 177.8 | -171.8 | 36.8 | 0 | 0 | 0 | 112 | K899 D900 L901 L906 K907 | K899-N903 VanDerWaalsContact O-CB 3.31Å; K899-N903 WeakPolarHBondContact O-CB 3.47Å; K899-N903 PolarHBondContact O-N 2.89Å; D900-N903 PolarHBondContact O-N 2.87Å; L901-N903 VanDerWaalsContact C-N 3.28Å; L901-N903 PolarHBondContact O-N 2.86Å; N903-L906 PolarHBondContact O-N 3.4Å; N903-K907 VanDerWaalsContact O-CB 3.31Å; N903-K907 WeakPolarHBondContact O-CB 3.33Å; N903-K907 PolarHBondContact O-N 3.5Å |
| 904 | N | 95 | Very high | 92.7 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 173.9 | -74.6 | -41.7 | 0 | 0 | 0 | 112.1 | D900 L901 K907 T908 | D900-N904 WeakPolarHBondContact O-CB 3.38Å; D900-N904 VanDerWaalsContact O-CG 3.26Å; D900-N904 PolarHBondContact O-N 2.99Å; D900-N904 PolarHBondContact O-ND2 3.49Å; L901-N904 PolarHBondContact O-N 2.84Å; L901-N904 VanDerWaalsContact O-N 3.15Å; N904-K907 PolarHBondContact O-N 2.83Å; N904-T908 WeakPolarHBondContact O-CB 3.3Å; N904-T908 PolarHBondContact O-N 2.87Å; N904-T908 PolarHBondContact O-OG1 2.92Å |
| 905 | E | 93.8 | Very high | 91.5 | Very high | 107 Ų | 107 | 106.7 Ų | 106.7 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 171.4 | -71.6 | 174.3 | 166.4 | 0 | 0 | 111.2 | L901 K907 T908 I909 | L901-E905 WeakPolarHBondContact O-CG 3.38Å; L901-E905 PolarHBondContact O-N 3.17Å; E905-K907 VanDerWaalsContact C-N 3.33Å; E905-K907 PolarHBondContact O-N 2.79Å; E905-T908 WeakPolarHBondContact O-CB 3.47Å; E905-T908 PolarHBondContact O-N 3.4Å; E905-T908 VanDerWaalsContact O-N 3.12Å; E905-I909 WeakPolarHBondContact O-CG1 3.46Å; E905-I909 PolarHBondContact O-N 3.46Å |
| 906 | L | 93.8 | Very high | 89.9 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -40.8 | 177.9 | -176.9 | 64.7 | 0 | 0 | 0 | 112.2 | Q902 N903 I909 K910 | Q902-L906 WeakPolarHBondContact O-CB 3.16Å; Q902-L906 PolarHBondContact O-N 2.88Å; N903-L906 PolarHBondContact O-N 3.4Å; L906-I909 PolarHBondContact O-N 2.97Å; L906-K910 WeakPolarHBondContact O-CB 3.34Å; L906-K910 PolarHBondContact O-N 3.42Å |
| 907 | K | 93.6 | Very high | 87.8 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.6 | -175.9 | -178.5 | 175.5 | -172.5 | 0 | 111.3 | N903 N904 E905 I909 K910 D911 | N903-K907 VanDerWaalsContact O-CB 3.31Å; N903-K907 WeakPolarHBondContact O-CB 3.33Å; N903-K907 PolarHBondContact O-N 3.5Å; N904-K907 PolarHBondContact O-N 2.83Å; E905-K907 VanDerWaalsContact C-N 3.33Å; E905-K907 PolarHBondContact O-N 2.79Å; K907-I909 VanDerWaalsContact C-N 3.34Å; K907-I909 PolarHBondContact O-N 2.93Å; K907-K910 WeakPolarHBondContact O-CB 3.29Å; K907-K910 PolarHBondContact O-N 2.97Å; K907-D911 VanDerWaalsContact O-CG 3.28Å; K907-D911 PolarHBondContact O-N 2.91Å |
| 908 | T | 91.1 | Very high | 85.8 | Confident | 72 Ų | 72 | 109 Ų | 109 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.7 | -43.2 | 177 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | N904 E905 D911 Q912 | N904-T908 WeakPolarHBondContact O-CB 3.3Å; N904-T908 PolarHBondContact O-N 2.87Å; N904-T908 PolarHBondContact O-OG1 2.92Å; E905-T908 WeakPolarHBondContact O-CB 3.47Å; E905-T908 PolarHBondContact O-N 3.4Å; E905-T908 VanDerWaalsContact O-N 3.12Å; T908-D911 PolarHBondContact O-N 2.94Å; T908-Q912 VanDerWaalsContact O-CG 3.31Å; T908-Q912 WeakPolarHBondContact O-CG 3.07Å; T908-Q912 PolarHBondContact O-N 3.39Å |
| 909 | I | 91.3 | Very high | 83.3 | Confident | 91 Ų | 91 | 118 Ų | 118 | 47% | 0.467 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.9 | -44.2 | 174.8 | -67 | 164 | 0 | 0 | 0 | 110.9 | E905 L906 K907 D911 Q912 L913 | E905-I909 WeakPolarHBondContact O-CG1 3.46Å; E905-I909 PolarHBondContact O-N 3.46Å; L906-I909 PolarHBondContact O-N 2.97Å; K907-I909 VanDerWaalsContact C-N 3.34Å; K907-I909 PolarHBondContact O-N 2.93Å; I909-D911 PolarHBondContact O-N 2.86Å; I909-Q912 PolarHBondContact O-N 3.06Å; I909-L913 HydrophobicContact CG2-CD1 4.06Å; I909-L913 WeakPolarHBondContact O-CG 3.15Å; I909-L913 PolarHBondContact O-N 2.83Å |
| 910 | K | 90.2 | Very high | 82.7 | Confident | 128 Ų | 128 | 118.1 Ų | 118.1 | 56% | 0.557 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.6 | -44.4 | 177 | 179.6 | -175.4 | 174.4 | -175.8 | 0 | 111.9 | L906 K907 L913 L914 | L906-K910 WeakPolarHBondContact O-CB 3.34Å; L906-K910 PolarHBondContact O-N 3.42Å; K907-K910 WeakPolarHBondContact O-CB 3.29Å; K907-K910 PolarHBondContact O-N 2.97Å; K910-L913 PolarHBondContact O-N 3.18Å; K910-L914 HydrophobicContact CG-CD1 4.25Å; K910-L914 WeakPolarHBondContact O-CG 3.48Å; K910-L914 PolarHBondContact O-N 2.71Å |
| 911 | D | 89.5 | Confident | 82 | Confident | 70 Ų | 70 | 119.8 Ų | 119.8 | 37% | 0.374 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.3 | -37.9 | -179.9 | -66.5 | -17.7 | 0 | 0 | 0 | 110.7 | K907 T908 I909 L914 L915 | K907-D911 VanDerWaalsContact O-CG 3.28Å; K907-D911 PolarHBondContact O-N 2.91Å; T908-D911 PolarHBondContact O-N 2.94Å; I909-D911 PolarHBondContact O-N 2.86Å; D911-L914 PolarHBondContact O-N 2.88Å; D911-L915 VanDerWaalsContact O-CD1 3.22Å; D911-L915 WeakPolarHBondContact O-CD1 3.43Å; D911-L915 PolarHBondContact O-N 2.83Å; D911-L915 VanDerWaalsContact O-N 3.08Å |
| 912 | Q | 87.7 | Confident | 81.2 | Confident | 124 Ų | 124 | 120.8 Ų | 120.8 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.1 | -39.2 | 171.4 | -72 | 175.1 | 18.6 | 0 | 0 | 113.3 | T908 I909 L915 S916 | T908-Q912 VanDerWaalsContact O-CG 3.31Å; T908-Q912 WeakPolarHBondContact O-CG 3.07Å; T908-Q912 PolarHBondContact O-N 3.39Å; I909-Q912 PolarHBondContact O-N 3.06Å; Q912-L915 PolarHBondContact O-N 2.84Å; Q912-S916 PolarHBondContact O-N 2.87Å; Q912-S916 PolarHBondContact O-OG 3.44Å |
| 913 | L | 83.3 | Confident | 80.5 | Confident | 122 Ų | 122 | 121.9 Ų | 121.9 | 64% | 0.639 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.7 | -36.8 | 175.5 | -74.7 | 168.1 | 0 | 0 | 0 | 112 | I909 K910 S916 | I909-L913 HydrophobicContact CG2-CD1 4.06Å; I909-L913 WeakPolarHBondContact O-CG 3.15Å; I909-L913 PolarHBondContact O-N 2.83Å; K910-L913 PolarHBondContact O-N 3.18Å; L913-S916 WeakPolarHBondContact O-CB 3.27Å; L913-S916 PolarHBondContact O-N 3.25Å |
| 914 | L | 79.9 | Confident | 79.5 | Confident | 126 Ų | 126 | 123.5 Ų | 123.5 | 66% | 0.66 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.3 | -29.2 | 177.2 | -73.2 | 170.9 | 0 | 0 | 0 | 113.5 | K910 D911 S916 | K910-L914 HydrophobicContact CG-CD1 4.25Å; K910-L914 WeakPolarHBondContact O-CG 3.48Å; K910-L914 PolarHBondContact O-N 2.71Å; D911-L914 PolarHBondContact O-N 2.88Å; L914-S916 VanDerWaalsContact C-N 3.34Å |
| 915 | L | 71.5 | Confident | 78.5 | Confident | 147 Ų | 147 | 125.7 Ų | 125.7 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.8 | -11.1 | 172.8 | -90 | 83.7 | 0 | 0 | 0 | 113.6 | D911 Q912 P917 | D911-L915 VanDerWaalsContact O-CD1 3.22Å; D911-L915 WeakPolarHBondContact O-CD1 3.43Å; D911-L915 PolarHBondContact O-N 2.83Å; D911-L915 VanDerWaalsContact O-N 3.08Å; Q912-L915 PolarHBondContact O-N 2.84Å; L915-P917 WeakPolarHBondContact O-CD 3.43Å |
| 916 | S | 61.5 | Low | 77.4 | Confident | 69 Ų | 69 | 127.1 Ų | 127.1 | 48% | 0.483 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -75.1 | 120.3 | 177.1 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | Q912 L913 L914 I918 | Q912-S916 PolarHBondContact O-N 2.87Å; Q912-S916 PolarHBondContact O-OG 3.44Å; L913-S916 WeakPolarHBondContact O-CB 3.27Å; L913-S916 PolarHBondContact O-N 3.25Å; L914-S916 VanDerWaalsContact C-N 3.34Å; S916-I918 PolarHBondContact O-N 2.92Å |
| 917 | P | 53 | Low | 76.1 | Confident | 115 Ų | 115 | 128.2 Ų | 128.2 | 75% | 0.747 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.2 | -179.9 | 26.6 | -33 | 0 | 0 | 0 | 109.8 | L915 R919 | L915-P917 WeakPolarHBondContact O-CD 3.43Å; P917-R919 PolarHBondContact O-N 3.27Å |
| 918 | I | 54.9 | Low | 74.7 | Confident | 178 Ų | 178 | 128.9 Ų | 128.9 | 91% | 0.913 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 124.4 | 167.8 | -59.7 | 171.2 | 0 | 0 | 0 | 107.4 | S916 | S916-I918 PolarHBondContact O-N 2.92Š|
| 919 | R | 42.5 | Very low | 73.2 | Confident | 305 Ų | 305 | 134.1 Ų | 134.1 | 100% | 1.151 | 67% | 0.667 | S | S | * | * | trans | -136.1 | 0 | -174.2 | -145.2 | -174.9 | -160.3 | -174.3 | 6.8 | 110.7 | P917 | P917-R919 PolarHBondContact O-N 3.27Š|
Retrieved 919 of 919 residues in 694.9 ms
(Link to these results)