| 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 | 37.1 | Very low | 42.3 | Very low | 233 Ų | 233 | 170.1 Ų | 170.1 | 100% | 1.148 | 83% | 0.831 | S | S | * | * | 0 | 127.8 | 0 | -78 | 176.3 | -171.4 | 0 | 0 | 106.9 | |||||
| 2 | E | 39.4 | Very low | 42.5 | Very low | 183 Ų | 183 | 168.8 Ų | 168.8 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | trans | 64.2 | 101.1 | 165.9 | -61.8 | 175 | 171.5 | 0 | 0 | 116.8 | ||||
| 3 | W | 38.5 | Very low | 42.6 | Very low | 208 Ų | 208 | 164.2 Ų | 164.2 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | 49.4 | 111 | 90.1 | -83.7 | 55.8 | 0 | 0 | 0 | 113.8 | |||||
| 4 | M | 40.9 | Very low | 42.5 | Very low | 154 Ų | 154 | 159.6 Ų | 159.6 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | 164 | 130.1 | 114.5 | -90.1 | -173.1 | 163 | 0 | 0 | 113.5 | |||||
| 5 | N | 45.5 | Very low | 42.7 | Very low | 130 Ų | 130 | 164.1 Ų | 164.1 | 70% | 0.695 | 82% | 0.823 | S | S | * | * | trans | 57 | 113.6 | 136.7 | -58.9 | -26.9 | 0 | 0 | 0 | 119.7 | ||||
| 6 | S | 46.7 | Very low | 42.5 | Very low | 104 Ų | 104 | 160.7 Ų | 160.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | -179.2 | 116.4 | 94.5 | -80.4 | 0 | 0 | 0 | 0 | 112 | V8 | S6-V8 PolarHBondContact O-N 3.36Š| |||
| 7 | N | 41.6 | Very low | 42.6 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -58.4 | 108.9 | 148.1 | -96.4 | -28.8 | 0 | 0 | 0 | 108.5 | ||||
| 8 | V | 48.8 | Very low | 42.5 | Very low | 119 Ų | 119 | 156.9 Ų | 156.9 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -139 | 102 | 156.3 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | S6 R10 | S6-V8 PolarHBondContact O-N 3.36Å; V8-R10 PolarHBondContact O-N 3.04Å | ||
| 9 | L | 39 | Very low | 42.4 | Very low | 150 Ų | 150 | 158.7 Ų | 158.7 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 6.1 | 112.7 | 141.2 | -83.7 | 131.4 | 0 | 0 | 0 | 115.9 | ||||
| 10 | R | 44.9 | Very low | 42.6 | Very low | 235 Ų | 235 | 156.3 Ų | 156.3 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -148.2 | 99.5 | 138.1 | -103.1 | 176.5 | -146.4 | -119.4 | 3.4 | 109.5 | V8 L12 | V8-R10 PolarHBondContact O-N 3.04Å; R10-L12 PolarHBondContact O-N 3.25Å | ||
| 11 | Q | 43.2 | Very low | 42.7 | Very low | 180 Ų | 180 | 154.9 Ų | 154.9 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -57.2 | 124.4 | 153.2 | -70.9 | 175 | -5.2 | 0 | 0 | 108.2 | ||||
| 12 | L | 44.5 | Very low | 43.2 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -137.7 | 141.2 | 152.1 | -78.1 | 179.3 | 0 | 0 | 0 | 108.8 | R10 | R10-L12 PolarHBondContact O-N 3.25Š| ||
| 13 | P | 43.4 | Very low | 43.5 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -87.3 | 151.9 | -158.7 | 34.9 | -35.1 | 0 | 0 | 0 | 112.7 | R15 | P13-R15 PolarHBondContact O-N 3.33Š| ||
| 14 | A | 41.4 | Very low | 43.8 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -54.7 | 121.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 15 | R | 45.7 | Very low | 43.8 | Very low | 226 Ų | 226 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -105.6 | 102.3 | 159.8 | -86.4 | -173.2 | 174.9 | -168.8 | -1.4 | 108.1 | P13 I17 | P13-R15 PolarHBondContact O-N 3.33Å; R15-I17 PolarHBondContact O-N 3.26Å | ||
| 16 | S | 40.1 | Very low | 43.8 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -56.5 | 122.7 | 152 | 27.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 17 | I | 44.1 | Very low | 43.8 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -107.8 | 100.4 | 164.7 | -62.5 | 175.2 | 0 | 0 | 0 | 105.8 | R15 | R15-I17 PolarHBondContact O-N 3.26Š| ||
| 18 | S | 39.7 | Very low | 43.8 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 148.8 | 163.7 | -20.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 19 | E | 41.9 | Very low | 43.5 | Very low | 191 Ų | 191 | 153 Ų | 153 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | 63.6 | 104.3 | 152.8 | -66.9 | 177.3 | 147.5 | 0 | 0 | 119.6 | ||||
| 20 | S | 46.7 | Very low | 43.7 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | -154.3 | 104.6 | 124.7 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 21 | V | 43.3 | Very low | 43.8 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 31.3 | 109 | 127 | -173.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 22 | H | 48.3 | Very low | 44 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | -149.3 | 110.2 | 128.7 | -101.5 | -70.2 | 0 | 0 | 0 | 110 | |||||
| 23 | K | 45.5 | Very low | 44 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -89.3 | 125.2 | 160.7 | -82.7 | 177.4 | 173.9 | 175.2 | 0 | 107.4 | ||||
| 24 | E | 45 | Very low | 44 | Very low | 193 Ų | 193 | 154 Ų | 154 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -178.5 | 118.3 | 153.2 | -104.8 | 170.4 | -165.8 | 0 | 0 | 103.4 | ||||
| 25 | G | 41.7 | Very low | 44 | Very low | 61 Ų | 61 | 152.4 Ų | 152.4 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | 122.6 | 150 | 59.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 26 | Y | 44.6 | Very low | 44 | Very low | 222 Ų | 222 | 146.8 Ų | 146.8 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | 88.5 | 84.7 | -178.9 | -55.9 | -78.2 | 0 | 0 | 0 | 115.1 | ||||
| 27 | S | 47.4 | Very low | 44.1 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | 61.5 | 106.5 | 89.5 | 78.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 28 | G | 40.6 | Very low | 44.2 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | 91.8 | 87.8 | 56.7 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 29 | R | 42.7 | Very low | 44.5 | Very low | 230 Ų | 230 | 155 Ų | 155 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -167.9 | 90.8 | 151.3 | -110.8 | 173 | -177 | -160.9 | 0.2 | 110.4 | ||||
| 30 | S | 44.1 | Very low | 44.8 | Very low | 116 Ų | 116 | 155.6 Ų | 155.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -84.6 | 103.2 | 163.1 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | K32 | S30-K32 PolarHBondContact O-N 3.19Š| ||
| 31 | N | 45.3 | Very low | 44.7 | Very low | 133 Ų | 133 | 158 Ų | 158 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -85.1 | 95.8 | 171 | -82.1 | -14.2 | 0 | 0 | 0 | 109.8 | I33 | N31-I33 PolarHBondContact O-N 3.42Š| ||
| 32 | K | 47.8 | Very low | 44.7 | Very low | 199 Ų | 199 | 159.8 Ų | 159.8 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -66.3 | 102.8 | 159.7 | -120.9 | 171.7 | -179.1 | 170.6 | 0 | 107.6 | S30 R34 | S30-K32 PolarHBondContact O-N 3.19Å; K32-R34 PolarHBondContact O-N 3.49Å | ||
| 33 | I | 45.8 | Very low | 44.6 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | -88.5 | 97.4 | 164.9 | -62.9 | 179.2 | 0 | 0 | 0 | 107.4 | N31 G35 | N31-I33 PolarHBondContact O-N 3.42Å; I33-G35 PolarHBondContact O-N 2.95Å | ||
| 34 | R | 42.7 | Very low | 44.3 | Very low | 240 Ų | 240 | 153.3 Ų | 153.3 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -82.4 | 96.3 | 166.5 | -171.5 | -176.8 | -165.1 | -154.9 | 4.1 | 106.9 | K32 | K32-R34 PolarHBondContact O-N 3.49Š| ||
| 35 | G | 42.1 | Very low | 44.4 | Very low | 67 Ų | 67 | 149.5 Ų | 149.5 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -97.5 | 115 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I33 | I33-G35 PolarHBondContact O-N 2.95Š| ||
| 36 | S | 44.6 | Very low | 44.5 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -59.6 | 125.5 | -170.8 | -38.7 | 0 | 0 | 0 | 0 | 113.9 | S38 | S36-S38 PolarHBondContact O-N 2.79Å; S36-S38 VanDerWaalsContact O-N 3.17Å | ||
| 37 | F | 41.8 | Very low | 44.7 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | -78.5 | 86.6 | 168 | -140.6 | -93.1 | 0 | 0 | 0 | 108.7 | R39 | F37-R39 PolarHBondContact O-N 3.01Å; F37-R39 VanDerWaalsContact O-N 3.15Å | ||
| 38 | S | 46.6 | Very low | 44.6 | Very low | 107 Ų | 107 | 158.2 Ų | 158.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -79.6 | 96.3 | 172.3 | -72.9 | 0 | 0 | 0 | 0 | 110.1 | S36 K40 | S36-S38 PolarHBondContact O-N 2.79Å; S36-S38 VanDerWaalsContact O-N 3.17Å; S38-K40 PolarHBondContact O-N 2.91Å; S38-K40 VanDerWaalsContact O-N 3.16Å | ||
| 39 | R | 45.9 | Very low | 44.8 | Very low | 225 Ų | 225 | 164.8 Ų | 164.8 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | trans | -59.4 | 104.1 | 167 | -159.9 | -179 | -73.5 | -150.4 | -0.7 | 108.2 | F37 Q41 | F37-R39 PolarHBondContact O-N 3.01Å; F37-R39 VanDerWaalsContact O-N 3.15Å; R39-Q41 PolarHBondContact O-N 3.39Å | ||
| 40 | K | 48.4 | Very low | 45.1 | Very low | 203 Ų | 203 | 159.2 Ų | 159.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -66.8 | 124.2 | 169.6 | -85.8 | -175.6 | 178 | 179.3 | 0 | 108.6 | S38 | S38-K40 PolarHBondContact O-N 2.91Å; S38-K40 VanDerWaalsContact O-N 3.16Å | ||
| 41 | Q | 45 | Very low | 45 | Very low | 162 Ų | 162 | 165 Ų | 165 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -63.9 | 140 | 178.7 | -72.7 | -174.8 | -20.9 | 0 | 0 | 111.3 | R39 N43 | R39-Q41 PolarHBondContact O-N 3.39Å; Q41-N43 PolarHBondContact O-N 3.5Å | ||
| 42 | I | 42.2 | Very low | 45.1 | Very low | 164 Ų | 164 | 167 Ų | 167 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -72.1 | 108.9 | 165 | -57.4 | 158.2 | 0 | 0 | 0 | 105.8 | ||||
| 43 | N | 47.5 | Very low | 44.8 | Very low | 136 Ų | 136 | 163.2 Ų | 163.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -118.8 | 97.2 | 164.5 | -78.6 | -21.9 | 0 | 0 | 0 | 107.4 | Q41 | Q41-N43 PolarHBondContact O-N 3.5Š| ||
| 44 | S | 38 | Very low | 44.6 | Very low | 110 Ų | 110 | 159.5 Ų | 159.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -91.3 | 127.8 | 159.9 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 45 | P | 47.2 | Very low | 44.6 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -139 | 112.7 | 143.4 | 32.9 | -16.1 | 0 | 0 | 0 | 109.3 | ||||
| 46 | D | 44.8 | Very low | 44.7 | Very low | 155 Ų | 155 | 157.9 Ų | 157.9 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | -152.4 | 122.3 | 127.5 | -139.9 | -20.3 | 0 | 0 | 0 | 111.6 | |||||
| 47 | K | 47.9 | Very low | 44.7 | Very low | 184 Ų | 184 | 160.6 Ų | 160.6 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -113.7 | 120.5 | 170.3 | -74.8 | 177 | 176.5 | 176.6 | 0 | 104.1 | ||||
| 48 | R | 46.4 | Very low | 45.1 | Very low | 232 Ų | 232 | 156.7 Ų | 156.7 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | 161.4 | 141.2 | 134.7 | -87.8 | 164.6 | -137 | -148.7 | 6.8 | 111.1 | ||||
| 49 | Y | 44.5 | Very low | 45 | Very low | 212 Ų | 212 | 158.7 Ų | 158.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | 124.2 | 79.2 | 165.7 | -84.2 | -89 | 0 | 0 | 0 | 111.3 | ||||
| 50 | T | 47.7 | Very low | 44.8 | Very low | 112 Ų | 112 | 158.4 Ų | 158.4 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | 60.9 | 94.6 | 97.7 | 58.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 51 | R | 42.1 | Very low | 44.6 | Very low | 237 Ų | 237 | 154.8 Ų | 154.8 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | 63.7 | 97.2 | 91.4 | -160.3 | -176.1 | -155.8 | 161.7 | 5.5 | 111.8 | |||||
| 52 | N | 48.3 | Very low | 44.5 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -144.7 | 105.9 | 148.3 | -85.6 | -24.8 | 0 | 0 | 0 | 107.5 | ||||
| 53 | S | 41.4 | Very low | 44.7 | Very low | 121 Ų | 121 | 154 Ų | 154 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -139.5 | 143.5 | 170.8 | -162.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 54 | A | 42.5 | Very low | 44.7 | Very low | 81 Ų | 81 | 157 Ų | 157 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | 93.2 | 100.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 55 | M | 42 | Very low | 44.9 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -150.5 | 95.9 | 130.2 | -85.8 | -63.2 | 120.6 | 0 | 0 | 104.9 | ||||
| 56 | C | 43.6 | Very low | 44.8 | Very low | 103 Ų | 103 | 158.1 Ų | 158.1 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | 77.5 | 94.4 | 93.7 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 57 | N | 44.1 | Very low | 44.6 | Very low | 164 Ų | 164 | 158.2 Ų | 158.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -63.5 | 134.9 | 150.2 | -77.4 | -26.9 | 0 | 0 | 0 | 109.3 | ||||
| 58 | T | 51.2 | Low | 44.3 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -169.3 | 150.6 | 144.2 | 41.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 59 | N | 43.7 | Very low | 44 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | 91.7 | 85.3 | 177.9 | -52.4 | -13.6 | 0 | 0 | 0 | 111.6 | ||||
| 60 | R | 43 | Very low | 44 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | cis | 52.1 | 122.7 | 48.6 | -115.5 | -166.9 | -149.5 | -178.3 | 6.1 | 112.8 | ||||
| 61 | D | 43.1 | Very low | 44.2 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | 85.1 | 79.7 | 155.8 | -47.1 | -30.5 | 0 | 0 | 0 | 118.2 | ||||
| 62 | F | 43.7 | Very low | 44.7 | Very low | 227 Ų | 227 | 138.5 Ų | 138.5 | 100% | 0.996 | 78% | 0.778 | S | S | * | * | trans | -127.4 | 88.9 | 135.7 | -89 | -81.2 | 0 | 0 | 0 | 108.7 | ||||
| 63 | A | 46.6 | Very low | 45 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -98.4 | 154.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 64 | K | 47.2 | Very low | 46.3 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | trans | 97.8 | 90.9 | 162.7 | -55.8 | 176.2 | -179.5 | 179.6 | 0 | 117.2 | ||||
| 65 | N | 42.3 | Very low | 47.9 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | -172.8 | 103 | 117.3 | -118.6 | -1.2 | 0 | 0 | 0 | 107.8 | |||||
| 66 | S | 44.3 | Very low | 49.7 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | 100.1 | 102.9 | 88.5 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 67 | N | 41.9 | Very low | 51.8 | Low | 158 Ų | 158 | 135.4 Ų | 135.4 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | trans | 58.4 | 100.8 | 147.8 | -60.4 | -12.1 | 0 | 0 | 0 | 119.7 | ||||
| 68 | C | 41.7 | Very low | 54 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | -162.7 | 131.8 | 137.1 | -107.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 69 | P | 39.4 | Very low | 55.8 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | -91.5 | 116 | -171.7 | 33.9 | -28 | 0 | 0 | 0 | 110.8 | ||||
| 70 | V | 43.4 | Very low | 58.2 | Low | 83 Ų | 83 | 129.5 Ų | 129.5 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | trans | -141.1 | 92.6 | 164.2 | -161.8 | 0 | 0 | 0 | 0 | 111 | N72 F73 | V70-N72 PolarHBondContact O-N 3.22Å; V70-F73 HydrophobicContact CB-CD2 3.63Å; V70-F73 HydrophobicContact CB-CE2 4.11Å; V70-F73 HydrophobicContact CG1-CD2 3.19Å; V70-F73 HydrophobicContact CG1-CE2 3.49Å; V70-F73 VanDerWaalsContact CG1-CE2 3.49Å; V70-F73 HydrophobicContact CG1-CG 4.28Å; V70-F73 HydrophobicContact CG2-CD2 4.15Å; V70-F73 HydrophobicContact CG2-CE2 4.2Å | ||
| 71 | S | 53 | Low | 60.5 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 12.6 | -178.6 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 72 | N | 52.8 | Low | 62.9 | Low | 120 Ų | 120 | 120.7 Ų | 120.7 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | -13.6 | -179.6 | -65.8 | 1 | 0 | 0 | 0 | 114.5 | V70 N74 | V70-N72 PolarHBondContact O-N 3.22Å; N72-N74 VanDerWaalsContact C-N 3.35Å |
| 73 | F | 54.2 | Low | 65.2 | Low | 116 Ų | 116 | 115.2 Ų | 115.2 | 51% | 0.509 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.4 | -26.1 | 179.2 | -83.2 | -69.1 | 0 | 0 | 0 | 113 | V70 D75 Y77 | V70-F73 HydrophobicContact CB-CD2 3.63Å; V70-F73 HydrophobicContact CB-CE2 4.11Å; V70-F73 HydrophobicContact CG1-CD2 3.19Å; V70-F73 HydrophobicContact CG1-CE2 3.49Å; V70-F73 VanDerWaalsContact CG1-CE2 3.49Å; V70-F73 HydrophobicContact CG1-CG 4.28Å; V70-F73 HydrophobicContact CG2-CD2 4.15Å; V70-F73 HydrophobicContact CG2-CE2 4.2Å; F73-D75 VanDerWaalsContact C-N 3.33Å; F73-D75 PolarHBondContact O-N 2.89Å; F73-Y77 HydrophobicContact CB-CD2 4.4Å; F73-Y77 HydrophobicContact CB-CE2 3.98Å; F73-Y77 HydrophobicContact CD1-CE2 4.43Å; F73-Y77 WeakPolarHBondContact O-CD2 3.26Å; F73-Y77 PolarHBondContact O-N 3.2Å |
| 74 | N | 69.1 | Low | 67.6 | Low | 116 Ų | 116 | 115.5 Ų | 115.5 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.2 | -30.9 | -175.9 | -80.7 | -33.3 | 0 | 0 | 0 | 113.3 | N72 L78 | N72-N74 VanDerWaalsContact C-N 3.35Å; N74-L78 VanDerWaalsContact O-CG 3.23Å; N74-L78 WeakPolarHBondContact O-CG 3.21Å; N74-L78 PolarHBondContact O-N 2.82Å |
| 75 | D | 74.7 | Confident | 69.9 | Low | 108 Ų | 108 | 114.4 Ų | 114.4 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.9 | -40.8 | -178.3 | -74.2 | -19.2 | 0 | 0 | 0 | 112.3 | F73 Y77 L78 D79 | F73-D75 VanDerWaalsContact C-N 3.33Å; F73-D75 PolarHBondContact O-N 2.89Å; D75-Y77 VanDerWaalsContact C-N 3.32Å; D75-Y77 PolarHBondContact O-N 2.72Å; D75-L78 WeakPolarHBondContact O-CB 3.33Å; D75-L78 PolarHBondContact O-N 3.47Å; D75-L78 VanDerWaalsContact O-N 3.07Å; D75-D79 PolarHBondContact O-N 2.96Å |
| 76 | D | 81.3 | Confident | 72.4 | Confident | 112 Ų | 112 | 113.2 Ų | 113.2 | 60% | 0.599 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.4 | -40.1 | 176 | -74.6 | -16.3 | 0 | 0 | 0 | 111.9 | L78 D79 E80 | D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.27Å; D76-D79 PolarHBondContact O-N 3.45Å; D76-E80 PolarHBondContact O-N 3.48Å |
| 77 | Y | 87.5 | Confident | 74.8 | Confident | 133 Ų | 133 | 115.2 Ų | 115.2 | 52% | 0.522 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.2 | -33.8 | 174.7 | -69.6 | -57.1 | 0 | 0 | 0 | 112.3 | F73 D75 I81 | F73-Y77 HydrophobicContact CB-CD2 4.4Å; F73-Y77 HydrophobicContact CB-CE2 3.98Å; F73-Y77 HydrophobicContact CD1-CE2 4.43Å; F73-Y77 WeakPolarHBondContact O-CD2 3.26Å; F73-Y77 PolarHBondContact O-N 3.2Å; D75-Y77 VanDerWaalsContact C-N 3.32Å; D75-Y77 PolarHBondContact O-N 2.72Å; Y77-I81 WeakPolarHBondContact O-CB 3.43Å; Y77-I81 VanDerWaalsContact O-CD1 3.31Å; Y77-I81 WeakPolarHBondContact O-CD1 3.25Å; Y77-I81 WeakPolarHBondContact O-CG1 3.49Å; Y77-I81 PolarHBondContact O-N 3.07Å |
| 78 | L | 89.2 | Confident | 77.4 | Confident | 106 Ų | 106 | 111.9 Ų | 111.9 | 56% | 0.555 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69 | -39.9 | 176.4 | -73.8 | 169.5 | 0 | 0 | 0 | 111.8 | N74 D75 D76 I81 L82 | N74-L78 VanDerWaalsContact O-CG 3.23Å; N74-L78 WeakPolarHBondContact O-CG 3.21Å; N74-L78 PolarHBondContact O-N 2.82Å; D75-L78 WeakPolarHBondContact O-CB 3.33Å; D75-L78 PolarHBondContact O-N 3.47Å; D75-L78 VanDerWaalsContact O-N 3.07Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.27Å; L78-I81 PolarHBondContact O-N 2.92Å; L78-L82 PolarHBondContact O-N 3.21Å |
| 79 | D | 90.2 | Very high | 79.9 | Confident | 96 Ų | 96 | 108.9 Ų | 108.9 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.8 | -41.7 | 175.5 | -86 | -10 | 0 | 0 | 0 | 112.1 | D75 D76 I81 L82 I83 | D75-D79 PolarHBondContact O-N 2.96Å; D76-D79 PolarHBondContact O-N 3.45Å; D79-I81 PolarHBondContact O-N 3.38Å; D79-L82 WeakPolarHBondContact O-CB 3.42Å; D79-L82 PolarHBondContact O-N 2.94Å; D79-L82 VanDerWaalsContact O-N 3.15Å; D79-I83 WeakPolarHBondContact O-CG1 3.49Å; D79-I83 PolarHBondContact O-N 3.46Å |
| 80 | E | 92.9 | Very high | 82.6 | Confident | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.5 | -43.9 | 174.2 | -171.6 | 175.1 | -168.8 | 0 | 0 | 111.4 | D76 L82 I83 L84 | D76-E80 PolarHBondContact O-N 3.48Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.82Å; E80-I83 PolarHBondContact O-N 3.08Å; E80-L84 HydrophobicContact CG-CD1 4.03Å; E80-L84 HydrophobicContact CG-CG 4.4Å; E80-L84 WeakPolarHBondContact O-CB 3.22Å; E80-L84 VanDerWaalsContact O-CG 3.27Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 3.48Å |
| 81 | I | 92.3 | Very high | 85.1 | Confident | 78 Ų | 78 | 108.2 Ų | 108.2 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.3 | -40.5 | 174.1 | -71.6 | 164.3 | 0 | 0 | 0 | 110.9 | Y77 L78 D79 R85 | Y77-I81 WeakPolarHBondContact O-CB 3.43Å; Y77-I81 VanDerWaalsContact O-CD1 3.31Å; Y77-I81 WeakPolarHBondContact O-CD1 3.25Å; Y77-I81 WeakPolarHBondContact O-CG1 3.49Å; Y77-I81 PolarHBondContact O-N 3.07Å; L78-I81 PolarHBondContact O-N 2.92Å; D79-I81 PolarHBondContact O-N 3.38Å; I81-R85 WeakPolarHBondContact O-CB 3.27Å; I81-R85 VanDerWaalsContact O-CG 3.27Å; I81-R85 WeakPolarHBondContact O-CG 3.48Å; I81-R85 PolarHBondContact O-N 3.44Å |
| 82 | L | 92.4 | Very high | 87.1 | Confident | 84 Ų | 84 | 105.7 Ų | 105.7 | 44% | 0.44 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 178.4 | -173.1 | 68.7 | 0 | 0 | 0 | 111.8 | L78 D79 E80 R85 K86 | L78-L82 PolarHBondContact O-N 3.21Å; D79-L82 WeakPolarHBondContact O-CB 3.42Å; D79-L82 PolarHBondContact O-N 2.94Å; D79-L82 VanDerWaalsContact O-N 3.15Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.82Å; L82-R85 PolarHBondContact O-N 3.24Å; L82-K86 WeakPolarHBondContact O-CG 3.39Å; L82-K86 PolarHBondContact O-N 3.16Å |
| 83 | I | 93.6 | Very high | 89.2 | Confident | 111 Ų | 111 | 106.6 Ų | 106.6 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.8 | -46.1 | 176.6 | -68 | 166.8 | 0 | 0 | 0 | 110.4 | D79 E80 R85 K86 K87 | D79-I83 WeakPolarHBondContact O-CG1 3.49Å; D79-I83 PolarHBondContact O-N 3.46Å; E80-I83 PolarHBondContact O-N 3.08Å; I83-R85 PolarHBondContact O-N 3.13Å; I83-K86 WeakPolarHBondContact O-CB 3.46Å; I83-K86 PolarHBondContact O-N 2.87Å; I83-K87 PolarHBondContact O-N 3.34Å |
| 84 | L | 96 | Very high | 91.1 | Very high | 89 Ų | 89 | 106 Ų | 106 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.8 | -71.8 | 173.1 | 0 | 0 | 0 | 111.5 | E80 K86 K87 V88 | E80-L84 HydrophobicContact CG-CD1 4.03Å; E80-L84 HydrophobicContact CG-CG 4.4Å; E80-L84 WeakPolarHBondContact O-CB 3.22Å; E80-L84 VanDerWaalsContact O-CG 3.27Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 3.48Å; L84-K86 PolarHBondContact O-N 3.25Å; L84-K87 PolarHBondContact O-N 3.08Å; L84-V88 WeakPolarHBondContact O-CB 3.46Å; L84-V88 VanDerWaalsContact O-CG2 3.28Å; L84-V88 WeakPolarHBondContact O-CG2 3.48Å; L84-V88 PolarHBondContact O-N 3.12Å |
| 85 | R | 94.8 | Very high | 92.4 | Very high | 178 Ų | 178 | 105.2 Ų | 105.2 | 67% | 0.672 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -42.7 | 173.6 | -79.5 | 176.7 | 174.9 | 174.7 | 1.4 | 112.3 | I81 L82 I83 V88 A89 | I81-R85 WeakPolarHBondContact O-CB 3.27Å; I81-R85 VanDerWaalsContact O-CG 3.27Å; I81-R85 WeakPolarHBondContact O-CG 3.48Å; I81-R85 PolarHBondContact O-N 3.44Å; L82-R85 PolarHBondContact O-N 3.24Å; I83-R85 PolarHBondContact O-N 3.13Å; R85-V88 PolarHBondContact O-N 3.37Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.31Å |
| 86 | K | 95.4 | Very high | 93.4 | Very high | 130 Ų | 130 | 107.2 Ų | 107.2 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 174.7 | -73.7 | 175.8 | -179.9 | 173.8 | 0 | 111.7 | L82 I83 L84 A89 L90 | L82-K86 WeakPolarHBondContact O-CG 3.39Å; L82-K86 PolarHBondContact O-N 3.16Å; I83-K86 WeakPolarHBondContact O-CB 3.46Å; I83-K86 PolarHBondContact O-N 2.87Å; L84-K86 PolarHBondContact O-N 3.25Å; K86-A89 PolarHBondContact O-N 3.49Å; K86-L90 PolarHBondContact O-N 2.87Å |
| 87 | K | 95.5 | Very high | 94 | Very high | 131 Ų | 131 | 106 Ų | 106 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 177.8 | -166.9 | 173.4 | -176.8 | 178.6 | 0 | 111.9 | I83 L84 L90 L91 | I83-K87 PolarHBondContact O-N 3.34Å; L84-K87 PolarHBondContact O-N 3.08Å; K87-L90 PolarHBondContact O-N 3.29Å; K87-L91 HydrophobicContact CG-CD1 4.24Å; K87-L91 WeakPolarHBondContact O-CB 3.32Å; K87-L91 WeakPolarHBondContact O-CG 3.44Å; K87-L91 PolarHBondContact O-N 3.21Å |
| 88 | V | 96 | Very high | 94.4 | Very high | 89 Ų | 89 | 103.9 Ų | 103.9 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | L84 R85 S92 | L84-V88 WeakPolarHBondContact O-CB 3.46Å; L84-V88 VanDerWaalsContact O-CG2 3.28Å; L84-V88 WeakPolarHBondContact O-CG2 3.48Å; L84-V88 PolarHBondContact O-N 3.12Å; R85-V88 PolarHBondContact O-N 3.37Å; V88-S92 VanDerWaalsContact O-CB 3.22Å; V88-S92 WeakPolarHBondContact O-CB 3.43Å; V88-S92 PolarHBondContact O-N 2.96Å; V88-S92 PolarHBondContact O-OG 3.24Å |
| 89 | A | 95.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 104 Ų | 104 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R85 K86 S92 K93 | R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.31Å; K86-A89 PolarHBondContact O-N 3.49Å; A89-S92 PolarHBondContact O-N 3.12Å; A89-K93 PolarHBondContact O-N 2.89Å |
| 90 | L | 95.1 | Very high | 94.7 | Very high | 107 Ų | 107 | 101.8 Ų | 101.8 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -50.3 | 174.7 | -92.2 | 156.8 | 0 | 0 | 0 | 112.1 | K86 K87 S92 K93 Q94 | K86-L90 PolarHBondContact O-N 2.87Å; K87-L90 PolarHBondContact O-N 3.29Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.91Å; L90-K93 WeakPolarHBondContact O-CB 3.46Å; L90-K93 PolarHBondContact O-N 2.91Å; L90-K93 VanDerWaalsContact O-N 3.11Å; L90-Q94 PolarHBondContact O-N 3.39Å |
| 91 | L | 96.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 102.5 Ų | 102.5 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 177.3 | -71.5 | 172.4 | 0 | 0 | 0 | 111.6 | K87 K93 Q94 N95 | K87-L91 HydrophobicContact CG-CD1 4.24Å; K87-L91 WeakPolarHBondContact O-CB 3.32Å; K87-L91 WeakPolarHBondContact O-CG 3.44Å; K87-L91 PolarHBondContact O-N 3.21Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 3.33Å; L91-Q94 PolarHBondContact O-N 3.28Å; L91-N95 WeakPolarHBondContact O-CB 3.25Å; L91-N95 PolarHBondContact O-N 2.83Å |
| 92 | S | 95.2 | Very high | 94.7 | Very high | 57 Ų | 57 | 101.4 Ų | 101.4 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 174.2 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | V88 A89 L90 K96 | V88-S92 VanDerWaalsContact O-CB 3.22Å; V88-S92 WeakPolarHBondContact O-CB 3.43Å; V88-S92 PolarHBondContact O-N 2.96Å; V88-S92 PolarHBondContact O-OG 3.24Å; A89-S92 PolarHBondContact O-N 3.12Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.91Å; S92-K96 WeakPolarHBondContact O-CG 3.41Å; S92-K96 PolarHBondContact O-N 3.5Å |
| 93 | K | 95 | Very high | 94.6 | Very high | 138 Ų | 138 | 105.5 Ų | 105.5 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -48.5 | 174.3 | -172.8 | -177.5 | 176.5 | -174.3 | 0 | 111.1 | A89 L90 L91 N95 K96 D97 | A89-K93 PolarHBondContact O-N 2.89Å; L90-K93 WeakPolarHBondContact O-CB 3.46Å; L90-K93 PolarHBondContact O-N 2.91Å; L90-K93 VanDerWaalsContact O-N 3.11Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 3.33Å; K93-N95 VanDerWaalsContact C-N 3.32Å; K93-N95 PolarHBondContact O-N 2.85Å; K93-K96 WeakPolarHBondContact O-CB 3.46Å; K93-K96 PolarHBondContact O-N 3.28Å; K93-D97 PolarHBondContact O-N 3.01Å |
| 94 | Q | 95.2 | Very high | 94.4 | Very high | 105 Ų | 105 | 105.1 Ų | 105.1 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 176.7 | -73.1 | 178.1 | -26.4 | 0 | 0 | 112.2 | L90 L91 K96 D97 I98 | L90-Q94 PolarHBondContact O-N 3.39Å; L91-Q94 PolarHBondContact O-N 3.28Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.45Å; Q94-D97 PolarHBondContact O-N 3.32Å; Q94-I98 WeakPolarHBondContact O-CG1 3.45Å; Q94-I98 PolarHBondContact O-N 2.92Å |
| 95 | N | 95.4 | Very high | 94 | Very high | 98 Ų | 98 | 106.6 Ų | 106.6 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 174.6 | -96.5 | -20.5 | 0 | 0 | 0 | 112.8 | L91 K93 N99 | L91-N95 WeakPolarHBondContact O-CB 3.25Å; L91-N95 PolarHBondContact O-N 2.83Å; K93-N95 VanDerWaalsContact C-N 3.32Å; K93-N95 PolarHBondContact O-N 2.85Å; N95-N99 VanDerWaalsContact O-CB 3.28Å; N95-N99 WeakPolarHBondContact O-CB 3.47Å; N95-N99 PolarHBondContact O-N 2.9Å; N95-N99 PolarHBondContact O-ND2 2.9Å |
| 96 | K | 96.4 | Very high | 93.7 | Very high | 150 Ų | 150 | 105.5 Ų | 105.5 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 174.8 | -73.6 | 173.3 | -177.3 | -179.1 | 0 | 111.6 | S92 K93 Q94 N99 A100 | S92-K96 WeakPolarHBondContact O-CG 3.41Å; S92-K96 PolarHBondContact O-N 3.5Å; K93-K96 WeakPolarHBondContact O-CB 3.46Å; K93-K96 PolarHBondContact O-N 3.28Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.45Å; K96-N99 PolarHBondContact O-N 2.88Å; K96-A100 PolarHBondContact O-N 2.95Å |
| 97 | D | 93.7 | Very high | 93.3 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 179.4 | -66.4 | -19.6 | 0 | 0 | 0 | 111.7 | K93 Q94 N99 A100 Q101 | K93-D97 PolarHBondContact O-N 3.01Å; Q94-D97 PolarHBondContact O-N 3.32Å; D97-N99 PolarHBondContact O-N 2.88Å; D97-A100 WeakPolarHBondContact O-CB 3.33Å; D97-A100 PolarHBondContact O-N 2.94Å; D97-Q101 PolarHBondContact O-N 3.38Å |
| 98 | I | 95.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 101.4 Ų | 101.4 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -45 | 174.6 | -69 | 169.9 | 0 | 0 | 0 | 110.5 | Q94 A100 Q101 C102 | Q94-I98 WeakPolarHBondContact O-CG1 3.45Å; Q94-I98 PolarHBondContact O-N 2.92Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 3.47Å; I98-Q101 PolarHBondContact O-N 2.93Å; I98-C102 WeakPolarHBondContact O-CB 3.27Å; I98-C102 PolarHBondContact O-N 3.23Å; I98-C102 PolarHBondContact O-SG 3.28Å; I98-C102 VanDerWaalsContact O-SG 3.32Å |
| 99 | N | 94.9 | Very high | 92 | Very high | 107 Ų | 107 | 100.1 Ų | 100.1 | 57% | 0.572 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -35.4 | 177.1 | -78.4 | -37 | 0 | 0 | 0 | 112.7 | N95 K96 D97 R103 | N95-N99 VanDerWaalsContact O-CB 3.28Å; N95-N99 WeakPolarHBondContact O-CB 3.47Å; N95-N99 PolarHBondContact O-N 2.9Å; N95-N99 PolarHBondContact O-ND2 2.9Å; K96-N99 PolarHBondContact O-N 2.88Å; D97-N99 PolarHBondContact O-N 2.88Å; N99-R103 PolarHBondContact O-N 3.25Å |
| 100 | A | 92.4 | Very high | 91.3 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | K96 D97 I98 R103 I104 | K96-A100 PolarHBondContact O-N 2.95Å; D97-A100 WeakPolarHBondContact O-CB 3.33Å; D97-A100 PolarHBondContact O-N 2.94Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 3.47Å; A100-R103 WeakPolarHBondContact O-CB 3.36Å; A100-R103 PolarHBondContact O-N 3.37Å; A100-I104 WeakPolarHBondContact O-CG1 3.34Å; A100-I104 PolarHBondContact O-N 2.92Å; A100-I104 VanDerWaalsContact O-N 3.08Å |
| 101 | Q | 93.2 | Very high | 90.5 | Very high | 124 Ų | 124 | 102.1 Ų | 102.1 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 174.4 | -68.5 | -177.7 | 16.9 | 0 | 0 | 111.8 | D97 I98 R103 I104 L105 | D97-Q101 PolarHBondContact O-N 3.38Å; I98-Q101 PolarHBondContact O-N 2.93Å; Q101-R103 VanDerWaalsContact C-N 3.25Å; Q101-R103 PolarHBondContact O-N 3.18Å; Q101-I104 PolarHBondContact O-N 3.24Å; Q101-L105 WeakPolarHBondContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.44Å; Q101-L105 PolarHBondContact O-N 3.41Å |
| 102 | C | 91.4 | Very high | 89.9 | Confident | 55 Ų | 55 | 102 Ų | 102 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -35 | 174.4 | -70.6 | 0 | 0 | 0 | 0 | 112.3 | I98 K106 | I98-C102 WeakPolarHBondContact O-CB 3.27Å; I98-C102 PolarHBondContact O-N 3.23Å; I98-C102 PolarHBondContact O-SG 3.28Å; I98-C102 VanDerWaalsContact O-SG 3.32Å; C102-K106 WeakPolarHBondContact O-CB 3.37Å; C102-K106 VanDerWaalsContact O-CG 3.24Å; C102-K106 WeakPolarHBondContact O-CG 3.45Å; C102-K106 PolarHBondContact O-N 3.45Å |
| 103 | R | 90.3 | Very high | 89.3 | Confident | 171 Ų | 171 | 104.8 Ų | 104.8 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -45.7 | 175.1 | -173.6 | 177.9 | 175.5 | 168.6 | 3.2 | 111.8 | N99 A100 Q101 L105 K106 E107 | N99-R103 PolarHBondContact O-N 3.25Å; A100-R103 WeakPolarHBondContact O-CB 3.36Å; A100-R103 PolarHBondContact O-N 3.37Å; Q101-R103 VanDerWaalsContact C-N 3.25Å; Q101-R103 PolarHBondContact O-N 3.18Å; R103-L105 PolarHBondContact O-N 2.91Å; R103-K106 PolarHBondContact O-N 3.39Å; R103-E107 WeakPolarHBondContact CG-OE1 3.14Å; R103-E107 IonicContact CZ-OE1 2.9Å; R103-E107 IonicContact NE-OE1 2.87Å; R103-E107 PolarHBondContact NE-OE1 3.42Å; R103-E107 VanDerWaalsContact NE-OE1 3.1Å; R103-E107 IonicContact NH2-OE1 3.43Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.2Å |
| 104 | I | 88.5 | Confident | 88.7 | Confident | 102 Ų | 102 | 102.7 Ų | 102.7 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.8 | -65.3 | 167.2 | 0 | 0 | 0 | 110.7 | A100 Q101 K106 E107 N108 | A100-I104 WeakPolarHBondContact O-CG1 3.34Å; A100-I104 PolarHBondContact O-N 2.92Å; A100-I104 VanDerWaalsContact O-N 3.08Å; Q101-I104 PolarHBondContact O-N 3.24Å; I104-K106 VanDerWaalsContact C-N 3.25Å; I104-K106 PolarHBondContact O-N 2.98Å; I104-E107 PolarHBondContact O-N 3.02Å; I104-N108 PolarHBondContact O-N 2.97Å |
| 105 | L | 88.4 | Confident | 88 | Confident | 121 Ų | 121 | 99.4 Ų | 99.4 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -20.1 | 178.1 | -72.1 | 174.5 | 0 | 0 | 0 | 113.5 | Q101 R103 P109 | Q101-L105 WeakPolarHBondContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.44Å; Q101-L105 PolarHBondContact O-N 3.41Å; R103-L105 PolarHBondContact O-N 2.91Å; L105-P109 WeakPolarHBondContact O-CD 3.23Å; L105-P109 WeakPolarHBondContact O-CG 3.49Å |
| 106 | K | 87.5 | Confident | 87.3 | Confident | 155 Ų | 155 | 99.6 Ų | 99.6 | 67% | 0.674 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -82.5 | -31.9 | 170.1 | -77.4 | 175.6 | 179.5 | -175.5 | 0 | 112.5 | C102 R103 I104 P109 V110 | C102-K106 WeakPolarHBondContact O-CB 3.37Å; C102-K106 VanDerWaalsContact O-CG 3.24Å; C102-K106 WeakPolarHBondContact O-CG 3.45Å; C102-K106 PolarHBondContact O-N 3.45Å; R103-K106 PolarHBondContact O-N 3.39Å; I104-K106 VanDerWaalsContact C-N 3.25Å; I104-K106 PolarHBondContact O-N 2.98Å; K106-P109 WeakPolarHBondContact O-CG 3.37Å; K106-V110 WeakPolarHBondContact O-CG2 3.32Å |
| 107 | E | 87 | Confident | 86.5 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 41% | 0.407 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -81.4 | -31.3 | -179.5 | -70.3 | 176.8 | -164.2 | 0 | 0 | 113.4 | R103 I104 K111 | R103-E107 WeakPolarHBondContact CG-OE1 3.14Å; R103-E107 IonicContact CZ-OE1 2.9Å; R103-E107 IonicContact NE-OE1 2.87Å; R103-E107 PolarHBondContact NE-OE1 3.42Å; R103-E107 VanDerWaalsContact NE-OE1 3.1Å; R103-E107 IonicContact NH2-OE1 3.43Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.2Å; I104-E107 PolarHBondContact O-N 3.02Å; E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 2.63Å |
| 108 | N | 85.1 | Confident | 85.8 | Confident | 87 Ų | 87 | 95.2 Ų | 95.2 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 177.3 | -114.9 | -22.3 | 0 | 0 | 0 | 114.9 | I104 V110 K111 T112 | I104-N108 PolarHBondContact O-N 2.97Å; N108-V110 VanDerWaalsContact C-N 3.28Å; N108-V110 PolarHBondContact O-N 3.48Å; N108-K111 PolarHBondContact O-N 3.38Å; N108-K111 VanDerWaalsContact O-N 3.1Å; N108-T112 PolarHBondContact O-N 3.35Å; N108-T112 PolarHBondContact O-OG1 2.93Å |
| 109 | P | 80.6 | Confident | 84.9 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 40% | 0.403 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -36 | -180 | 23.5 | -33.3 | 0 | 0 | 0 | 111.4 | L105 K106 K111 T112 E113 | L105-P109 WeakPolarHBondContact O-CD 3.23Å; L105-P109 WeakPolarHBondContact O-CG 3.49Å; K106-P109 WeakPolarHBondContact O-CG 3.37Å; P109-K111 VanDerWaalsContact C-N 3.31Å; P109-K111 PolarHBondContact O-N 3.41Å; P109-T112 VanDerWaalsContact CA-OG1 3.3Å; P109-T112 WeakPolarHBondContact CA-OG1 3.3Å; P109-T112 PolarHBondContact O-N 2.83Å; P109-T112 PolarHBondContact O-OG1 3.33Å; P109-E113 WeakPolarHBondContact O-CB 3.45Å; P109-E113 PolarHBondContact O-N 3.37Å |
| 110 | V | 79.2 | Confident | 84.1 | Confident | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | K106 N108 N114 | K106-V110 WeakPolarHBondContact O-CG2 3.32Å; N108-V110 VanDerWaalsContact C-N 3.28Å; N108-V110 PolarHBondContact O-N 3.48Å; V110-N114 VanDerWaalsContact O-CB 3.25Å; V110-N114 WeakPolarHBondContact O-CB 3.36Å; V110-N114 PolarHBondContact O-N 2.85Å; V110-N114 PolarHBondContact O-ND2 2.91Å |
| 111 | K | 79.9 | Confident | 83.3 | Confident | 137 Ų | 137 | 97.5 Ų | 97.5 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.2 | -42.1 | 175.9 | -69.9 | 174.2 | -172.5 | 172.4 | 0 | 112 | E107 N108 P109 G115 | E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 2.63Å; N108-K111 PolarHBondContact O-N 3.38Å; N108-K111 VanDerWaalsContact O-N 3.1Å; P109-K111 VanDerWaalsContact C-N 3.31Å; P109-K111 PolarHBondContact O-N 3.41Å; K111-G115 PolarHBondContact O-N 3.02Å |
| 112 | T | 82.5 | Confident | 82.3 | Confident | 83 Ų | 83 | 96.3 Ų | 96.3 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.5 | -36.1 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 112 | N108 P109 G115 L116 | N108-T112 PolarHBondContact O-N 3.35Å; N108-T112 PolarHBondContact O-OG1 2.93Å; P109-T112 VanDerWaalsContact CA-OG1 3.3Å; P109-T112 WeakPolarHBondContact CA-OG1 3.3Å; P109-T112 PolarHBondContact O-N 2.83Å; P109-T112 PolarHBondContact O-OG1 3.33Å; T112-G115 PolarHBondContact O-N 3.42Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.36Å; T112-L116 PolarHBondContact O-N 3.4Å |
| 113 | E | 84.1 | Confident | 81.6 | Confident | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.2 | -40 | 175.6 | -174.2 | 172.2 | -163.2 | 0 | 0 | 110.8 | P109 G115 L116 T117 | P109-E113 WeakPolarHBondContact O-CB 3.45Å; P109-E113 PolarHBondContact O-N 3.37Å; E113-G115 PolarHBondContact O-N 3.16Å; E113-L116 PolarHBondContact O-N 3.27Å; E113-T117 HydrophobicContact CG-CG2 4.39Å; E113-T117 WeakPolarHBondContact O-CB 3.49Å; E113-T117 VanDerWaalsContact O-CG2 3.23Å; E113-T117 WeakPolarHBondContact O-CG2 3.41Å; E113-T117 PolarHBondContact O-N 2.84Å; E113-T117 PolarHBondContact O-OG1 3.2Å |
| 114 | N | 81.5 | Confident | 80.6 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 169.6 | -73.2 | -16.8 | 0 | 0 | 0 | 111.5 | V110 T117 M118 | V110-N114 VanDerWaalsContact O-CB 3.25Å; V110-N114 WeakPolarHBondContact O-CB 3.36Å; V110-N114 PolarHBondContact O-N 2.85Å; V110-N114 PolarHBondContact O-ND2 2.91Å; N114-T117 VanDerWaalsContact CA-OG1 3.29Å; N114-T117 WeakPolarHBondContact CA-OG1 3.45Å; N114-T117 PolarHBondContact O-N 3.14Å; N114-T117 PolarHBondContact O-OG1 3.07Å; N114-M118 VanDerWaalsContact O-CG 3.28Å; N114-M118 WeakPolarHBondContact O-CG 3.42Å; N114-M118 PolarHBondContact O-N 3.49Å |
| 115 | G | 81.3 | Confident | 79.6 | Confident | 35 Ų | 35 | 91 Ų | 91 | 36% | 0.361 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K111 T112 E113 L119 | K111-G115 PolarHBondContact O-N 3.02Å; T112-G115 PolarHBondContact O-N 3.42Å; E113-G115 PolarHBondContact O-N 3.16Å; G115-L119 PolarHBondContact O-N 3.46Å |
| 116 | L | 80.6 | Confident | 78.5 | Confident | 103 Ų | 103 | 87.4 Ų | 87.4 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 176.7 | -77.6 | 167.3 | 0 | 0 | 0 | 111.7 | T112 E113 M118 L119 V120 | T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.36Å; T112-L116 PolarHBondContact O-N 3.4Å; E113-L116 PolarHBondContact O-N 3.27Å; L116-M118 VanDerWaalsContact C-N 3.3Å; L116-M118 PolarHBondContact O-N 3.01Å; L116-L119 CarbonylContact O-C 3.53Å; L116-L119 PolarHBondContact O-N 2.99Å; L116-V120 WeakPolarHBondContact O-CB 3.5Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 3.5Å |
| 117 | T | 79.4 | Confident | 77.6 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 37% | 0.368 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -37 | 176 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | E113 N114 L119 V120 N121 | E113-T117 HydrophobicContact CG-CG2 4.39Å; E113-T117 WeakPolarHBondContact O-CB 3.49Å; E113-T117 VanDerWaalsContact O-CG2 3.23Å; E113-T117 WeakPolarHBondContact O-CG2 3.41Å; E113-T117 PolarHBondContact O-N 2.84Å; E113-T117 PolarHBondContact O-OG1 3.2Å; N114-T117 VanDerWaalsContact CA-OG1 3.29Å; N114-T117 WeakPolarHBondContact CA-OG1 3.45Å; N114-T117 PolarHBondContact O-N 3.14Å; N114-T117 PolarHBondContact O-OG1 3.07Å; T117-L119 VanDerWaalsContact C-N 3.33Å; T117-L119 PolarHBondContact O-N 2.89Å; T117-V120 PolarHBondContact O-N 2.85Å; T117-N121 WeakPolarHBondContact O-CB 3.33Å; T117-N121 VanDerWaalsContact O-CG 3.22Å; T117-N121 PolarHBondContact O-N 3Å; T117-N121 PolarHBondContact O-ND2 3.14Å; T117-N121 VanDerWaalsContact O-ND2 3.08Å |
| 118 | M | 78.8 | Confident | 76.6 | Confident | 83 Ų | 83 | 84.8 Ų | 84.8 | 41% | 0.409 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 170.8 | -68.6 | -159.4 | 75.3 | 0 | 0 | 113.1 | N114 L116 E124 S125 I128 | N114-M118 VanDerWaalsContact O-CG 3.28Å; N114-M118 WeakPolarHBondContact O-CG 3.42Å; N114-M118 PolarHBondContact O-N 3.49Å; L116-M118 VanDerWaalsContact C-N 3.3Å; L116-M118 PolarHBondContact O-N 3.01Å; M118-E124 WeakPolarHBondContact CE-OE2 3.36Å; M118-E124 VanDerWaalsContact CG-OE2 3.28Å; M118-E124 WeakPolarHBondContact CG-OE2 3.49Å; M118-E124 WeakPolarHBondContact O-CB 3.46Å; M118-S125 PolarHBondContact O-N 3.22Å; M118-I128 HydrophobicContact CB-CD1 4.24Å; M118-I128 HydrophobicContact CE-CD1 4.44Å |
| 119 | L | 75.8 | Confident | 75.6 | Confident | 109 Ų | 109 | 84.7 Ų | 84.7 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -78.4 | -34.7 | 178.3 | -78.6 | 163.2 | 0 | 0 | 0 | 113 | G115 L116 T117 S125 | G115-L119 PolarHBondContact O-N 3.46Å; L116-L119 CarbonylContact O-C 3.53Å; L116-L119 PolarHBondContact O-N 2.99Å; T117-L119 VanDerWaalsContact C-N 3.33Å; T117-L119 PolarHBondContact O-N 2.89Å; L119-S125 VanDerWaalsContact O-CB 3.29Å; L119-S125 WeakPolarHBondContact O-CB 3.32Å |
| 120 | V | 78.7 | Confident | 74.6 | Confident | 108 Ų | 108 | 88 Ų | 88 | 66% | 0.655 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -79.9 | -33.4 | -178.8 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L116 T117 P122 | L116-V120 WeakPolarHBondContact O-CB 3.5Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 3.5Å; T117-V120 PolarHBondContact O-N 2.85Å; V120-P122 WeakPolarHBondContact O-CD 3.42Å |
| 121 | N | 75.3 | Confident | 73.6 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -66.4 | 113.1 | 175.3 | -81.1 | -34.5 | 0 | 0 | 0 | 110.3 | T117 I123 E124 S125 | T117-N121 WeakPolarHBondContact O-CB 3.33Å; T117-N121 VanDerWaalsContact O-CG 3.22Å; T117-N121 PolarHBondContact O-N 3Å; T117-N121 PolarHBondContact O-ND2 3.14Å; T117-N121 VanDerWaalsContact O-ND2 3.08Å; N121-I123 PolarHBondContact O-N 3.23Å; N121-I123 VanDerWaalsContact O-N 3.09Å; N121-E124 HydrophobicContact CB-CB 4.14Å; N121-E124 HydrophobicContact CB-CG 4.24Å; N121-E124 PolarHBondContact O-N 3.32Å; N121-E124 VanDerWaalsContact O-N 3.08Å; N121-S125 WeakPolarHBondContact O-CB 3.41Å; N121-S125 PolarHBondContact O-N 3.48Å; N121-S125 PolarHBondContact O-OG 2.69Å |
| 122 | P | 72.9 | Confident | 72.4 | Confident | 98 Ų | 98 | 86.6 Ų | 86.6 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.3 | -30.3 | -174.9 | -22.9 | 33.2 | 0 | 0 | 0 | 113.2 | V120 S125 S126 | V120-P122 WeakPolarHBondContact O-CD 3.42Å; P122-S125 WeakPolarHBondContact CA-OG 3.31Å; P122-S125 PolarHBondContact O-OG 3.41Å; P122-S126 VanDerWaalsContact O-CB 3.27Å; P122-S126 WeakPolarHBondContact O-CB 3.15Å; P122-S126 PolarHBondContact O-N 3.21Å |
| 123 | I | 75.8 | Confident | 70.8 | Confident | 124 Ų | 124 | 83.6 Ų | 83.6 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.7 | -44.7 | 179.4 | -59.7 | 172.3 | 0 | 0 | 0 | 110.4 | N121 S126 K127 | N121-I123 PolarHBondContact O-N 3.23Å; N121-I123 VanDerWaalsContact O-N 3.09Å; I123-S126 PolarHBondContact O-N 2.81Å; I123-S126 PolarHBondContact O-OG 3.3Å; I123-K127 WeakPolarHBondContact O-CG 3.48Å; I123-K127 PolarHBondContact O-N 3.2Å |
| 124 | E | 70.3 | Confident | 69.2 | Low | 68 Ų | 68 | 82.7 Ų | 82.7 | 32% | 0.318 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -77.3 | -37.3 | -179.5 | -62.3 | -149.9 | 150.5 | 0 | 0 | 112.1 | M118 N121 S126 K127 I128 | M118-E124 WeakPolarHBondContact CE-OE2 3.36Å; M118-E124 VanDerWaalsContact CG-OE2 3.28Å; M118-E124 WeakPolarHBondContact CG-OE2 3.49Å; M118-E124 WeakPolarHBondContact O-CB 3.46Å; N121-E124 HydrophobicContact CB-CB 4.14Å; N121-E124 HydrophobicContact CB-CG 4.24Å; N121-E124 PolarHBondContact O-N 3.32Å; N121-E124 VanDerWaalsContact O-N 3.08Å; E124-S126 PolarHBondContact O-N 3.07Å; E124-K127 WeakPolarHBondContact O-CB 3.37Å; E124-K127 PolarHBondContact O-N 3.01Å; E124-I128 WeakPolarHBondContact O-CG1 3.44Å; E124-I128 PolarHBondContact O-N 3.39Å |
| 125 | S | 66.2 | Low | 67.7 | Low | 25 Ų | 25 | 82.9 Ų | 82.9 | 18% | 0.175 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 171.1 | 74 | 0 | 0 | 0 | 0 | 111.2 | M118 L119 N121 P122 I128 N129 | M118-S125 PolarHBondContact O-N 3.22Å; L119-S125 VanDerWaalsContact O-CB 3.29Å; L119-S125 WeakPolarHBondContact O-CB 3.32Å; N121-S125 WeakPolarHBondContact O-CB 3.41Å; N121-S125 PolarHBondContact O-N 3.48Å; N121-S125 PolarHBondContact O-OG 2.69Å; P122-S125 WeakPolarHBondContact CA-OG 3.31Å; P122-S125 PolarHBondContact O-OG 3.41Å; S125-I128 PolarHBondContact O-N 3.13Å; S125-N129 WeakPolarHBondContact O-CB 3.31Å; S125-N129 PolarHBondContact O-N 3.32Å; S125-N129 PolarHBondContact O-ND2 3.34Å |
| 126 | S | 66.4 | Low | 66.3 | Low | 45 Ų | 45 | 86.9 Ų | 86.9 | 32% | 0.315 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 170.7 | 85.1 | 0 | 0 | 0 | 0 | 112.4 | P122 I123 E124 N129 Q130 | P122-S126 VanDerWaalsContact O-CB 3.27Å; P122-S126 WeakPolarHBondContact O-CB 3.15Å; P122-S126 PolarHBondContact O-N 3.21Å; I123-S126 PolarHBondContact O-N 2.81Å; I123-S126 PolarHBondContact O-OG 3.3Å; E124-S126 PolarHBondContact O-N 3.07Å; S126-N129 CarbonylContact O-C 3.57Å; S126-N129 PolarHBondContact O-N 3.15Å; S126-Q130 VanDerWaalsContact O-CB 3.26Å; S126-Q130 WeakPolarHBondContact O-CB 3.49Å; S126-Q130 WeakPolarHBondContact O-CG 3.42Å; S126-Q130 PolarHBondContact O-N 3.41Å |
| 127 | K | 68.6 | Low | 65 | Low | 118 Ų | 118 | 89.6 Ų | 89.6 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 176.8 | -68.2 | 173.7 | -176.6 | 174.8 | 0 | 111.9 | I123 E124 N129 Q130 N131 | I123-K127 WeakPolarHBondContact O-CG 3.48Å; I123-K127 PolarHBondContact O-N 3.2Å; E124-K127 WeakPolarHBondContact O-CB 3.37Å; E124-K127 PolarHBondContact O-N 3.01Å; K127-N129 VanDerWaalsContact C-N 3.34Å; K127-Q130 PolarHBondContact O-N 3.01Å; K127-N131 WeakPolarHBondContact O-CB 3.47Å; K127-N131 PolarHBondContact O-N 3.07Å |
| 128 | I | 66 | Low | 63.9 | Low | 69 Ų | 69 | 91.1 Ų | 91.1 | 35% | 0.354 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 173.8 | -63.9 | 166 | 0 | 0 | 0 | 109.7 | M118 E124 S125 Q130 N131 A132 | M118-I128 HydrophobicContact CB-CD1 4.24Å; M118-I128 HydrophobicContact CE-CD1 4.44Å; E124-I128 WeakPolarHBondContact O-CG1 3.44Å; E124-I128 PolarHBondContact O-N 3.39Å; S125-I128 PolarHBondContact O-N 3.13Å; I128-Q130 VanDerWaalsContact C-N 3.34Å; I128-Q130 PolarHBondContact O-N 2.9Å; I128-N131 PolarHBondContact O-N 3.49Å; I128-A132 WeakPolarHBondContact O-CB 3.39Å; I128-A132 PolarHBondContact O-N 3.48Å |
| 129 | N | 63.6 | Low | 63.5 | Low | 86 Ų | 86 | 89.7 Ų | 89.7 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.3 | -27.2 | 177.3 | -76.2 | -41.1 | 0 | 0 | 0 | 113.7 | S125 S126 K127 G133 | S125-N129 WeakPolarHBondContact O-CB 3.31Å; S125-N129 PolarHBondContact O-N 3.32Å; S125-N129 PolarHBondContact O-ND2 3.34Å; S126-N129 CarbonylContact O-C 3.57Å; S126-N129 PolarHBondContact O-N 3.15Å; K127-N129 VanDerWaalsContact C-N 3.34Å; N129-G133 VanDerWaalsContact O-CA 3.31Å; N129-G133 WeakPolarHBondContact O-CA 3.34Å; N129-G133 PolarHBondContact O-N 3.24Å |
| 130 | Q | 60.6 | Low | 63.7 | Low | 131 Ų | 131 | 88.3 Ų | 88.3 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -77.8 | -40.8 | 174.4 | -80.4 | 177 | 15.5 | 0 | 0 | 111.5 | S126 K127 I128 A132 G133 C134 | S126-Q130 VanDerWaalsContact O-CB 3.26Å; S126-Q130 WeakPolarHBondContact O-CB 3.49Å; S126-Q130 WeakPolarHBondContact O-CG 3.42Å; S126-Q130 PolarHBondContact O-N 3.41Å; K127-Q130 PolarHBondContact O-N 3.01Å; I128-Q130 VanDerWaalsContact C-N 3.34Å; I128-Q130 PolarHBondContact O-N 2.9Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-G133 CarbonylContact O-C 3.5Å; Q130-G133 WeakPolarHBondContact O-CA 3.25Å; Q130-G133 PolarHBondContact O-N 3.48Å; Q130-C134 PolarHBondContact O-N 2.89Å |
| 131 | N | 57.7 | Low | 64 | Low | 134 Ų | 134 | 88 Ų | 88 | 72% | 0.717 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.5 | -36.7 | 173.8 | -74.1 | -4.8 | 0 | 0 | 0 | 111.5 | K127 I128 G133 | K127-N131 WeakPolarHBondContact O-CB 3.47Å; K127-N131 PolarHBondContact O-N 3.07Å; I128-N131 PolarHBondContact O-N 3.49Å; N131-G133 VanDerWaalsContact C-N 3.26Å |
| 132 | A | 54.6 | Low | 64.5 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -70.7 | -23.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I128 Q130 C134 C135 | I128-A132 WeakPolarHBondContact O-CB 3.39Å; I128-A132 PolarHBondContact O-N 3.48Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; A132-C134 VanDerWaalsContact C-N 3.29Å; A132-C134 PolarHBondContact O-N 3.03Å; A132-C135 WeakPolarHBondContact O-CB 3.46Å; A132-C135 PolarHBondContact O-N 3.47Å; A132-C135 VanDerWaalsContact O-N 3.14Å |
| 133 | G | 49.2 | Very low | 65.2 | Low | 19 Ų | 19 | 87.4 Ų | 87.4 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -68.4 | -21.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N129 Q130 N131 C135 K136 Q137 | N129-G133 VanDerWaalsContact O-CA 3.31Å; N129-G133 WeakPolarHBondContact O-CA 3.34Å; N129-G133 PolarHBondContact O-N 3.24Å; Q130-G133 CarbonylContact O-C 3.5Å; Q130-G133 WeakPolarHBondContact O-CA 3.25Å; Q130-G133 PolarHBondContact O-N 3.48Å; N131-G133 VanDerWaalsContact C-N 3.26Å; G133-C135 PolarHBondContact O-N 3.44Å; G133-K136 WeakPolarHBondContact O-CA 3.4Å; G133-K136 WeakPolarHBondContact O-CB 3.44Å; G133-K136 PolarHBondContact O-N 2.88Å; G133-Q137 PolarHBondContact O-N 3.13Å |
| 134 | C | 49.9 | Very low | 66 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 66% | 0.662 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -67.5 | -21.4 | 170.7 | -157.2 | 0 | 0 | 0 | 0 | 112.2 | Q130 A132 | Q130-C134 PolarHBondContact O-N 2.89Å; A132-C134 VanDerWaalsContact C-N 3.29Å; A132-C134 PolarHBondContact O-N 3.03Å |
| 135 | C | 50.1 | Low | 67.1 | Low | 98 Ų | 98 | 88 Ų | 88 | 66% | 0.662 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -16.9 | 166.9 | -66.2 | 0 | 0 | 0 | 0 | 113.2 | A132 G133 S139 | A132-C135 WeakPolarHBondContact O-CB 3.46Å; A132-C135 PolarHBondContact O-N 3.47Å; A132-C135 VanDerWaalsContact O-N 3.14Å; G133-C135 PolarHBondContact O-N 3.44Å; C135-S139 PolarHBondContact O-N 2.76Å |
| 136 | K | 52.8 | Low | 68.5 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -19.2 | -177.8 | -65.8 | -178.9 | -175.3 | 173 | 0 | 113.8 | G133 P140 | G133-K136 WeakPolarHBondContact O-CA 3.4Å; G133-K136 WeakPolarHBondContact O-CB 3.44Å; G133-K136 PolarHBondContact O-N 2.88Å; K136-P140 WeakPolarHBondContact O-CD 3.38Å |
| 137 | Q | 53.2 | Low | 69.9 | Low | 159 Ų | 159 | 96.1 Ų | 96.1 | 74% | 0.743 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -36.3 | 174.7 | -70.8 | -171.5 | -20.2 | 0 | 0 | 112.5 | G133 S139 | G133-Q137 PolarHBondContact O-N 3.13Å; Q137-S139 VanDerWaalsContact C-N 3.34Å |
| 138 | N | 55.9 | Low | 71.2 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -78.5 | -19.4 | 173.6 | -62.9 | -34.4 | 0 | 0 | 0 | 112.7 | N142 | N138-N142 WeakPolarHBondContact O-CB 3.34Å; N138-N142 PolarHBondContact O-N 3.46Å; N138-N142 PolarHBondContact O-ND2 2.82Å; N138-N142 VanDerWaalsContact O-ND2 3.12Å |
| 139 | S | 69.1 | Low | 72.7 | Confident | 52 Ų | 52 | 98.1 Ų | 98.1 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -54.6 | -176.3 | -172.9 | 0 | 0 | 0 | 0 | 114 | C135 Q137 E141 N142 I143 | C135-S139 PolarHBondContact O-N 2.76Å; Q137-S139 VanDerWaalsContact C-N 3.34Å; S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 PolarHBondContact O-N 2.8Å; S139-N142 PolarHBondContact O-N 3.49Å; S139-I143 WeakPolarHBondContact O-CB 3.37Å; S139-I143 WeakPolarHBondContact O-CD1 3.43Å; S139-I143 WeakPolarHBondContact O-CG1 3.39Å; S139-I143 PolarHBondContact O-N 3.02Å |
| 140 | P | 80.7 | Confident | 74.3 | Confident | 81 Ų | 81 | 100.1 Ų | 100.1 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -33.6 | -179.2 | 27.9 | -34.9 | 0 | 0 | 0 | 112.2 | K136 R144 | K136-P140 WeakPolarHBondContact O-CD 3.38Å; P140-R144 WeakPolarHBondContact O-CB 3.32Å; P140-R144 PolarHBondContact O-N 3.41Å |
| 141 | E | 84.4 | Confident | 76 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 175.6 | -173.8 | 169.3 | -163.6 | 0 | 0 | 111.7 | S139 I143 R144 L145 | S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 PolarHBondContact O-N 2.8Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.03Å; E141-R144 WeakPolarHBondContact O-CB 3.48Å; E141-R144 PolarHBondContact O-N 3.32Å; E141-L145 HydrophobicContact CG-CD1 4.31Å; E141-L145 WeakPolarHBondContact O-CG 3.33Å; E141-L145 PolarHBondContact O-N 3.17Å |
| 142 | N | 86.5 | Confident | 77.9 | Confident | 86 Ų | 86 | 99.1 Ų | 99.1 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.3 | -73.1 | -21.6 | 0 | 0 | 0 | 111.6 | N138 S139 R144 L145 L146 | N138-N142 WeakPolarHBondContact O-CB 3.34Å; N138-N142 PolarHBondContact O-N 3.46Å; N138-N142 PolarHBondContact O-ND2 2.82Å; N138-N142 VanDerWaalsContact O-ND2 3.12Å; S139-N142 PolarHBondContact O-N 3.49Å; N142-R144 VanDerWaalsContact C-N 3.35Å; N142-L145 PolarHBondContact O-N 3.21Å; N142-L146 VanDerWaalsContact O-CB 3.32Å; N142-L146 WeakPolarHBondContact O-CB 3.47Å; N142-L146 VanDerWaalsContact O-CG 3.29Å; N142-L146 WeakPolarHBondContact O-CG 3.36Å; N142-L146 PolarHBondContact O-N 3.18Å |
| 143 | I | 88.5 | Confident | 80 | Confident | 78 Ų | 78 | 102 Ų | 102 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 174.2 | -69.3 | 162.8 | 0 | 0 | 0 | 110 | S139 E141 L146 H147 | S139-I143 WeakPolarHBondContact O-CB 3.37Å; S139-I143 WeakPolarHBondContact O-CD1 3.43Å; S139-I143 WeakPolarHBondContact O-CG1 3.39Å; S139-I143 PolarHBondContact O-N 3.02Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.03Å; I143-L146 PolarHBondContact O-N 2.77Å; I143-H147 WeakPolarHBondContact O-CB 3.46Å; I143-H147 VanDerWaalsContact O-CG 3.31Å; I143-H147 PolarHBondContact O-N 2.91Å |
| 144 | R | 91.6 | Very high | 82.3 | Confident | 141 Ų | 141 | 105.1 Ų | 105.1 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.9 | -171.1 | -174.6 | 69.1 | 89.6 | 0.5 | 112.3 | P140 E141 N142 H147 Q148 | P140-R144 WeakPolarHBondContact O-CB 3.32Å; P140-R144 PolarHBondContact O-N 3.41Å; E141-R144 WeakPolarHBondContact O-CB 3.48Å; E141-R144 PolarHBondContact O-N 3.32Å; N142-R144 VanDerWaalsContact C-N 3.35Å; R144-H147 PolarHBondContact O-N 3.44Å; R144-Q148 WeakPolarHBondContact O-CB 3.36Å; R144-Q148 PolarHBondContact O-N 3.5Å |
| 145 | L | 92.8 | Very high | 84.5 | Confident | 64 Ų | 64 | 103.3 Ų | 103.3 | 34% | 0.335 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.2 | -72.9 | 171 | 0 | 0 | 0 | 111.7 | E141 N142 Q148 K149 | E141-L145 HydrophobicContact CG-CD1 4.31Å; E141-L145 WeakPolarHBondContact O-CG 3.33Å; E141-L145 PolarHBondContact O-N 3.17Å; N142-L145 PolarHBondContact O-N 3.21Å; L145-Q148 PolarHBondContact O-N 3.29Å; L145-K149 WeakPolarHBondContact O-CG 3.27Å; L145-K149 PolarHBondContact O-N 2.7Å |
| 146 | L | 95.3 | Very high | 86.8 | Confident | 112 Ų | 112 | 104.4 Ų | 104.4 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 174 | -78.5 | 166.1 | 0 | 0 | 0 | 111.3 | N142 I143 Q148 K149 F150 | N142-L146 VanDerWaalsContact O-CB 3.32Å; N142-L146 WeakPolarHBondContact O-CB 3.47Å; N142-L146 VanDerWaalsContact O-CG 3.29Å; N142-L146 WeakPolarHBondContact O-CG 3.36Å; N142-L146 PolarHBondContact O-N 3.18Å; I143-L146 PolarHBondContact O-N 2.77Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.34Å; L146-K149 PolarHBondContact O-N 3.4Å; L146-F150 VanDerWaalsContact O-CB 3.3Å; L146-F150 WeakPolarHBondContact O-CB 3.26Å; L146-F150 PolarHBondContact O-N 2.97Å |
| 147 | H | 95.8 | Very high | 88.9 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -42.7 | 173.8 | -74.2 | 178.9 | 0 | 0 | 0 | 111.8 | I143 R144 F150 F151 | I143-H147 WeakPolarHBondContact O-CB 3.46Å; I143-H147 VanDerWaalsContact O-CG 3.31Å; I143-H147 PolarHBondContact O-N 2.91Å; R144-H147 PolarHBondContact O-N 3.44Å; H147-F150 PolarHBondContact O-N 3.4Å; H147-F151 WeakPolarHBondContact O-CB 3.41Å; H147-F151 PolarHBondContact O-N 3.25Å |
| 148 | Q | 96.5 | Very high | 91.1 | Very high | 91 Ų | 91 | 100.3 Ų | 100.3 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.6 | -170.6 | -175.6 | 19.6 | 0 | 0 | 112 | R144 L145 L146 K152 | R144-Q148 WeakPolarHBondContact O-CB 3.36Å; R144-Q148 PolarHBondContact O-N 3.5Å; L145-Q148 PolarHBondContact O-N 3.29Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.34Å; Q148-K152 WeakPolarHBondContact O-CG 3.46Å; Q148-K152 PolarHBondContact O-N 3.03Å |
| 149 | K | 97.5 | Very high | 93 | Very high | 139 Ų | 139 | 100.5 Ų | 100.5 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 175.7 | -75.4 | 179.7 | 179.7 | -177.7 | 0 | 111.6 | L145 L146 K152 L153 | L145-K149 WeakPolarHBondContact O-CG 3.27Å; L145-K149 PolarHBondContact O-N 2.7Å; L146-K149 PolarHBondContact O-N 3.4Å; K149-K152 PolarHBondContact O-N 3.32Å; K149-L153 WeakPolarHBondContact O-CG 3.41Å; K149-L153 PolarHBondContact O-N 2.86Å |
| 150 | F | 97 | Very high | 94.4 | Very high | 127 Ų | 127 | 104.2 Ų | 104.2 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.5 | -48.2 | 176.5 | -178.7 | -94.8 | 0 | 0 | 0 | 111.1 | L146 H147 K152 L153 Q154 | L146-F150 VanDerWaalsContact O-CB 3.3Å; L146-F150 WeakPolarHBondContact O-CB 3.26Å; L146-F150 PolarHBondContact O-N 2.97Å; H147-F150 PolarHBondContact O-N 3.4Å; F150-K152 PolarHBondContact O-N 3.48Å; F150-L153 PolarHBondContact O-N 3.35Å; F150-Q154 WeakPolarHBondContact O-CB 3.23Å; F150-Q154 PolarHBondContact O-N 3.45Å |
| 151 | F | 97.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 102.6 Ų | 102.6 | 53% | 0.531 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.5 | -173.5 | -103.6 | 0 | 0 | 0 | 112.8 | H147 Q154 N155 | H147-F151 WeakPolarHBondContact O-CB 3.41Å; H147-F151 PolarHBondContact O-N 3.25Å; F151-Q154 PolarHBondContact O-N 3.46Å; F151-N155 WeakPolarHBondContact CE1-ND2 3.32Å; F151-N155 PolarHBondContact O-N 3.36Å |
| 152 | K | 97.4 | Very high | 95.8 | Very high | 123 Ų | 123 | 101 Ų | 101 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.2 | -75.9 | 179 | 178.7 | -176.1 | 0 | 112.2 | Q148 K149 F150 Q154 N155 Q156 | Q148-K152 WeakPolarHBondContact O-CG 3.46Å; Q148-K152 PolarHBondContact O-N 3.03Å; K149-K152 PolarHBondContact O-N 3.32Å; F150-K152 PolarHBondContact O-N 3.48Å; K152-Q154 VanDerWaalsContact C-N 3.35Å; K152-N155 PolarHBondContact O-N 2.93Å; K152-Q156 WeakPolarHBondContact O-CG 3.49Å; K152-Q156 PolarHBondContact O-N 3.35Å |
| 153 | L | 98.2 | Very high | 96.4 | Very high | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.5 | -38.8 | 177.7 | -73.3 | 171 | 0 | 0 | 0 | 111.7 | K149 F150 Q156 L157 | K149-L153 WeakPolarHBondContact O-CG 3.41Å; K149-L153 PolarHBondContact O-N 2.86Å; F150-L153 PolarHBondContact O-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.77Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 PolarHBondContact O-N 3.03Å |
| 154 | Q | 97.3 | Very high | 96.8 | Very high | 84 Ų | 84 | 105.2 Ų | 105.2 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 175.5 | -175.3 | 178.2 | 10.3 | 0 | 0 | 111.6 | F150 F151 K152 L157 Q158 | F150-Q154 WeakPolarHBondContact O-CB 3.23Å; F150-Q154 PolarHBondContact O-N 3.45Å; F151-Q154 PolarHBondContact O-N 3.46Å; K152-Q154 VanDerWaalsContact C-N 3.35Å; Q154-L157 PolarHBondContact O-N 3.46Å; Q154-Q158 PolarHBondContact O-N 2.92Å |
| 155 | N | 97.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 102.7 Ų | 102.7 | 32% | 0.321 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.5 | -69.5 | -17.5 | 0 | 0 | 0 | 111.8 | F151 K152 L157 Q158 D159 | F151-N155 WeakPolarHBondContact CE1-ND2 3.32Å; F151-N155 PolarHBondContact O-N 3.36Å; K152-N155 PolarHBondContact O-N 2.93Å; N155-L157 VanDerWaalsContact C-N 3.29Å; N155-L157 PolarHBondContact O-N 3.25Å; N155-Q158 PolarHBondContact O-N 3.27Å; N155-D159 PolarHBondContact O-N 3.31Å |
| 156 | Q | 97.7 | Very high | 97.3 | Very high | 121 Ų | 121 | 108.1 Ų | 108.1 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.5 | -39.4 | 175.7 | -75.3 | 179.4 | -13.8 | 0 | 0 | 112.3 | K152 L153 D159 K160 | K152-Q156 WeakPolarHBondContact O-CG 3.49Å; K152-Q156 PolarHBondContact O-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.77Å; Q156-D159 PolarHBondContact O-N 3.39Å; Q156-K160 WeakPolarHBondContact O-CB 3.39Å; Q156-K160 VanDerWaalsContact O-CG 3.23Å; Q156-K160 WeakPolarHBondContact O-CG 3.43Å; Q156-K160 PolarHBondContact O-N 3.09Å |
| 157 | L | 97.7 | Very high | 97.4 | Very high | 100 Ų | 100 | 107.4 Ų | 107.4 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 176.4 | -173.8 | 65.9 | 0 | 0 | 0 | 111.2 | L153 Q154 N155 D159 K160 D161 | L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 PolarHBondContact O-N 3.03Å; Q154-L157 PolarHBondContact O-N 3.46Å; N155-L157 VanDerWaalsContact C-N 3.29Å; N155-L157 PolarHBondContact O-N 3.25Å; L157-D159 PolarHBondContact O-N 3.39Å; L157-K160 PolarHBondContact O-N 2.82Å; L157-D161 WeakPolarHBondContact O-CB 3.31Å; L157-D161 PolarHBondContact O-N 3.38Å |
| 158 | Q | 97.8 | Very high | 97.5 | Very high | 93 Ų | 93 | 103.1 Ų | 103.1 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.6 | -174.7 | 178.6 | -8.2 | 0 | 0 | 112.4 | Q154 N155 K160 D161 S162 | Q154-Q158 PolarHBondContact O-N 2.92Å; N155-Q158 PolarHBondContact O-N 3.27Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; Q158-D161 PolarHBondContact O-N 2.96Å; Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 2.89Å; Q158-S162 PolarHBondContact O-OG 3.49Å |
| 159 | D | 97.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 103 Ų | 103 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 174.8 | -73.2 | -20.4 | 0 | 0 | 0 | 111.5 | N155 Q156 L157 S162 Q163 | N155-D159 PolarHBondContact O-N 3.31Å; Q156-D159 PolarHBondContact O-N 3.39Å; L157-D159 PolarHBondContact O-N 3.39Å; D159-S162 PolarHBondContact O-N 3.43Å; D159-Q163 WeakPolarHBondContact O-CG 3.36Å; D159-Q163 PolarHBondContact O-N 3.46Å |
| 160 | K | 97.8 | Very high | 97.5 | Very high | 131 Ų | 131 | 100.3 Ų | 100.3 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.9 | -39.9 | 177.7 | -71.7 | -67.3 | 177.5 | -173 | 0 | 112.7 | Q156 L157 Q158 S162 Q163 Y164 | Q156-K160 WeakPolarHBondContact O-CB 3.39Å; Q156-K160 VanDerWaalsContact O-CG 3.23Å; Q156-K160 WeakPolarHBondContact O-CG 3.43Å; Q156-K160 PolarHBondContact O-N 3.09Å; L157-K160 PolarHBondContact O-N 2.82Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; K160-S162 VanDerWaalsContact C-N 3.3Å; K160-S162 PolarHBondContact O-N 2.93Å; K160-Q163 PolarHBondContact O-N 2.74Å; K160-Y164 WeakPolarHBondContact O-CB 3.41Å; K160-Y164 PolarHBondContact O-N 2.91Å |
| 161 | D | 97.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 100.1 Ų | 100.1 | 25% | 0.251 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 172.2 | -78.9 | -32 | 0 | 0 | 0 | 110.8 | L157 Q158 Y164 N165 K490 | L157-D161 WeakPolarHBondContact O-CB 3.31Å; L157-D161 PolarHBondContact O-N 3.38Å; Q158-D161 PolarHBondContact O-N 2.96Å; D161-Y164 PolarHBondContact O-N 3.33Å; D161-N165 WeakPolarHBondContact O-CB 3.34Å; D161-N165 VanDerWaalsContact O-CG 3.28Å; D161-N165 PolarHBondContact O-N 2.93Å; D161-N165 PolarHBondContact O-ND2 3.45Å; D161-K490 IonicContact OD1-NZ 2.72Å; D161-K490 PolarHBondContact OD1-NZ 3.4Å; D161-K490 WeakPolarHBondContact OD2-CE 3.45Å; D161-K490 IonicContact OD2-NZ 3.9Å; D161-K490 PolarHBondContact OD2-NZ 3.08Å |
| 162 | S | 97.1 | Very high | 97.5 | Very high | 67 Ų | 67 | 101.3 Ų | 101.3 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | Q158 D159 K160 R166 | Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 2.89Å; Q158-S162 PolarHBondContact O-OG 3.49Å; D159-S162 PolarHBondContact O-N 3.43Å; K160-S162 VanDerWaalsContact C-N 3.3Å; K160-S162 PolarHBondContact O-N 2.93Å; S162-R166 PolarHBondContact O-N 2.98Å; S162-R166 VanDerWaalsContact O-N 3.1Å |
| 163 | Q | 97.5 | Very high | 97.5 | Very high | 108 Ų | 108 | 102.1 Ų | 102.1 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 173.9 | -75.1 | 171 | 49.5 | 0 | 0 | 112 | D159 K160 R166 L167 | D159-Q163 WeakPolarHBondContact O-CG 3.36Å; D159-Q163 PolarHBondContact O-N 3.46Å; K160-Q163 PolarHBondContact O-N 2.74Å; Q163-R166 PolarHBondContact O-N 3.27Å; Q163-L167 PolarHBondContact O-N 3.33Å |
| 164 | Y | 98.1 | Very high | 97.4 | Very high | 146 Ų | 146 | 100 Ų | 100 | 57% | 0.573 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.5 | -47.1 | 176.7 | 175.8 | -96.5 | 0 | 0 | 0 | 111.6 | K160 D161 R166 L167 V168 | K160-Y164 WeakPolarHBondContact O-CB 3.41Å; K160-Y164 PolarHBondContact O-N 2.91Å; D161-Y164 PolarHBondContact O-N 3.33Å; Y164-R166 VanDerWaalsContact C-N 3.3Å; Y164-R166 PolarHBondContact O-N 3.13Å; Y164-L167 PolarHBondContact O-N 3.01Å; Y164-V168 HydrophobicContact CD1-CG2 4.1Å; Y164-V168 HydrophobicContact CD2-CG2 4.45Å; Y164-V168 HydrophobicContact CE1-CG2 3.68Å; Y164-V168 HydrophobicContact CE2-CG2 4.06Å; Y164-V168 HydrophobicContact CG-CG2 4.48Å; Y164-V168 WeakPolarHBondContact O-CG2 3.36Å; Y164-V168 PolarHBondContact O-N 2.95Å |
| 165 | N | 97.5 | Very high | 97.4 | Very high | 87 Ų | 87 | 101.9 Ų | 101.9 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 178 | -71.6 | -27 | 0 | 0 | 0 | 112.4 | D161 T169 | D161-N165 WeakPolarHBondContact O-CB 3.34Å; D161-N165 VanDerWaalsContact O-CG 3.28Å; D161-N165 PolarHBondContact O-N 2.93Å; D161-N165 PolarHBondContact O-ND2 3.45Å; N165-T169 PolarHBondContact O-N 3.04Å; N165-T169 VanDerWaalsContact O-N 3.08Å; N165-T169 PolarHBondContact O-OG1 2.89Å |
| 166 | R | 97.1 | Very high | 97.4 | Very high | 179 Ų | 179 | 103.7 Ų | 103.7 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -50.4 | 173 | -172.7 | -178.8 | -61.8 | -110.3 | -1.2 | 111.1 | S162 Q163 Y164 V168 T169 D170 | S162-R166 PolarHBondContact O-N 2.98Å; S162-R166 VanDerWaalsContact O-N 3.1Å; Q163-R166 PolarHBondContact O-N 3.27Å; Y164-R166 VanDerWaalsContact C-N 3.3Å; Y164-R166 PolarHBondContact O-N 3.13Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-V168 PolarHBondContact O-N 3.46Å; R166-T169 WeakPolarHBondContact O-CA 3.34Å; R166-T169 WeakPolarHBondContact O-CB 3.35Å; R166-T169 PolarHBondContact O-N 3.32Å; R166-D170 PolarHBondContact O-N 2.94Å |
| 167 | L | 98 | Very high | 97.4 | Very high | 96 Ų | 96 | 101.2 Ų | 101.2 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 177.9 | 179.6 | 62.8 | 0 | 0 | 0 | 112.2 | Q163 Y164 T169 D170 M171 | Q163-L167 PolarHBondContact O-N 3.33Å; Y164-L167 PolarHBondContact O-N 3.01Å; L167-T169 VanDerWaalsContact C-N 3.26Å; L167-T169 PolarHBondContact O-N 3.46Å; L167-D170 PolarHBondContact O-N 3.43Å; L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-SD 4.33Å; L167-M171 WeakPolarHBondContact O-CB 3.42Å; L167-M171 VanDerWaalsContact O-CG 3.3Å; L167-M171 WeakPolarHBondContact O-CG 3.39Å; L167-M171 PolarHBondContact O-N 3.28Å |
| 168 | V | 97.5 | Very high | 97.3 | Very high | 38 Ų | 38 | 100.8 Ų | 100.8 | 23% | 0.23 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.8 | -39 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | Y164 R166 K172 | Y164-V168 HydrophobicContact CD1-CG2 4.1Å; Y164-V168 HydrophobicContact CD2-CG2 4.45Å; Y164-V168 HydrophobicContact CE1-CG2 3.68Å; Y164-V168 HydrophobicContact CE2-CG2 4.06Å; Y164-V168 HydrophobicContact CG-CG2 4.48Å; Y164-V168 WeakPolarHBondContact O-CG2 3.36Å; Y164-V168 PolarHBondContact O-N 2.95Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-V168 PolarHBondContact O-N 3.46Å; V168-K172 HydrophobicContact CG1-CD 4.42Å; V168-K172 WeakPolarHBondContact O-CG 3.3Å; V168-K172 PolarHBondContact O-N 3.46Å; V168-K172 VanDerWaalsContact O-N 3.11Å |
| 169 | T | 97.3 | Very high | 97.3 | Very high | 89 Ų | 89 | 100 Ų | 100 | 55% | 0.546 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -45.8 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | N165 R166 L167 M171 K172 F173 | N165-T169 PolarHBondContact O-N 3.04Å; N165-T169 VanDerWaalsContact O-N 3.08Å; N165-T169 PolarHBondContact O-OG1 2.89Å; R166-T169 WeakPolarHBondContact O-CA 3.34Å; R166-T169 WeakPolarHBondContact O-CB 3.35Å; R166-T169 PolarHBondContact O-N 3.32Å; L167-T169 VanDerWaalsContact C-N 3.26Å; L167-T169 PolarHBondContact O-N 3.46Å; T169-M171 VanDerWaalsContact C-N 3.32Å; T169-M171 PolarHBondContact O-N 2.91Å; T169-K172 PolarHBondContact O-N 3.4Å; T169-F173 WeakPolarHBondContact O-CB 3.41Å; T169-F173 PolarHBondContact O-N 2.92Å |
| 170 | D | 97.4 | Very high | 97.3 | Very high | 83 Ų | 83 | 100.9 Ų | 100.9 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 178.1 | -66 | -18.3 | 0 | 0 | 0 | 111.7 | R166 L167 F173 T174 | R166-D170 PolarHBondContact O-N 2.94Å; L167-D170 PolarHBondContact O-N 3.43Å; D170-F173 PolarHBondContact O-N 3.41Å; D170-T174 WeakPolarHBondContact O-CB 3.31Å; D170-T174 PolarHBondContact O-N 2.9Å; D170-T174 PolarHBondContact O-OG1 3.32Å |
| 171 | M | 96.8 | Very high | 97.3 | Very high | 123 Ų | 123 | 97.8 Ų | 97.8 | 61% | 0.606 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 174.8 | -76.1 | -177 | 68.1 | 0 | 0 | 112.2 | L167 T169 F173 T174 R175 | L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-SD 4.33Å; L167-M171 WeakPolarHBondContact O-CB 3.42Å; L167-M171 VanDerWaalsContact O-CG 3.3Å; L167-M171 WeakPolarHBondContact O-CG 3.39Å; L167-M171 PolarHBondContact O-N 3.28Å; T169-M171 VanDerWaalsContact C-N 3.32Å; T169-M171 PolarHBondContact O-N 2.91Å; M171-F173 VanDerWaalsContact C-N 3.35Å; M171-T174 PolarHBondContact O-N 3.46Å; M171-R175 WeakPolarHBondContact O-CB 3.42Å; M171-R175 PolarHBondContact O-N 2.93Å |
| 172 | K | 97.2 | Very high | 97.3 | Very high | 146 Ų | 146 | 100.8 Ų | 100.8 | 64% | 0.635 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 175.2 | -75 | 174.7 | -179.6 | -179.7 | 0 | 111.1 | V168 T169 R175 V176 | V168-K172 HydrophobicContact CG1-CD 4.42Å; V168-K172 WeakPolarHBondContact O-CG 3.3Å; V168-K172 PolarHBondContact O-N 3.46Å; V168-K172 VanDerWaalsContact O-N 3.11Å; T169-K172 PolarHBondContact O-N 3.4Å; K172-R175 PolarHBondContact O-N 2.94Å; K172-V176 WeakPolarHBondContact O-CG2 3.32Å; K172-V176 PolarHBondContact O-N 3.23Å |
| 173 | F | 96.8 | Very high | 97.4 | Very high | 139 Ų | 139 | 102.4 Ų | 102.4 | 61% | 0.61 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.2 | -50.9 | 176.5 | 177.2 | -96 | 0 | 0 | 0 | 111.5 | T169 D170 M171 R175 V176 E177 | T169-F173 WeakPolarHBondContact O-CB 3.41Å; T169-F173 PolarHBondContact O-N 2.92Å; D170-F173 PolarHBondContact O-N 3.41Å; M171-F173 VanDerWaalsContact C-N 3.35Å; F173-R175 VanDerWaalsContact C-N 3.29Å; F173-R175 PolarHBondContact O-N 3.42Å; F173-V176 PolarHBondContact O-N 3.45Å; F173-V176 VanDerWaalsContact O-N 3.17Å; F173-E177 PolarHBondContact O-N 2.91Å |
| 174 | T | 96.5 | Very high | 97.4 | Very high | 66 Ų | 66 | 102.6 Ų | 102.6 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.3 | -43.3 | 178 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | D170 M171 V176 E177 E178 | D170-T174 WeakPolarHBondContact O-CB 3.31Å; D170-T174 PolarHBondContact O-N 2.9Å; D170-T174 PolarHBondContact O-OG1 3.32Å; M171-T174 PolarHBondContact O-N 3.46Å; T174-V176 PolarHBondContact O-N 3.44Å; T174-E177 PolarHBondContact O-N 2.67Å; T174-E178 HydrophobicContact CG2-CG 4.42Å; T174-E178 WeakPolarHBondContact O-CB 3.23Å; T174-E178 WeakPolarHBondContact O-CG 3.42Å; T174-E178 PolarHBondContact O-N 3.39Å |
| 175 | R | 96.8 | Very high | 97.3 | Very high | 124 Ų | 124 | 99.8 Ų | 99.8 | 47% | 0.468 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 179 | -177.7 | 57.3 | -178.4 | 151 | 3.4 | 112.9 | M171 K172 F173 E177 E178 L179 | M171-R175 WeakPolarHBondContact O-CB 3.42Å; M171-R175 PolarHBondContact O-N 2.93Å; K172-R175 PolarHBondContact O-N 2.94Å; F173-R175 VanDerWaalsContact C-N 3.29Å; F173-R175 PolarHBondContact O-N 3.42Å; R175-E177 VanDerWaalsContact C-N 3.35Å; R175-E178 IonicContact NH1-OE2 3.55Å; R175-E178 PolarHBondContact NH1-OE2 3.44Å; R175-L179 HydrophobicContact CG-CD1 4.43Å; R175-L179 WeakPolarHBondContact O-CG 3.48Å; R175-L179 PolarHBondContact O-N 2.95Å; R175-L179 VanDerWaalsContact O-N 3.14Å |
| 176 | V | 97.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 98 Ų | 98 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65 | -42.5 | 175.9 | 170 | 0 | 0 | 0 | 0 | 110.3 | K172 F173 T174 L179 R180 | K172-V176 WeakPolarHBondContact O-CG2 3.32Å; K172-V176 PolarHBondContact O-N 3.23Å; F173-V176 PolarHBondContact O-N 3.45Å; F173-V176 VanDerWaalsContact O-N 3.17Å; T174-V176 PolarHBondContact O-N 3.44Å; V176-L179 PolarHBondContact O-N 3.45Å; V176-R180 WeakPolarHBondContact O-CB 3.45Å; V176-R180 PolarHBondContact O-N 2.82Å |
| 177 | E | 97.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 95.6 Ų | 95.6 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 179.6 | -173.3 | 57.9 | -162.8 | 0 | 0 | 112.4 | F173 T174 R175 L179 R180 V181 | F173-E177 PolarHBondContact O-N 2.91Å; T174-E177 PolarHBondContact O-N 2.67Å; R175-E177 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.09Å; E177-R180 VanDerWaalsContact CD-NE 3.32Å; E177-R180 WeakPolarHBondContact O-CB 3.37Å; E177-R180 PolarHBondContact O-N 2.73Å; E177-R180 IonicContact OE1-CZ 3.03Å; E177-R180 VanDerWaalsContact OE1-CZ 3.29Å; E177-R180 IonicContact OE1-NE 3.1Å; E177-R180 PolarHBondContact OE1-NE 2.95Å; E177-R180 VanDerWaalsContact OE1-NE 3.09Å; E177-R180 IonicContact OE1-NH2 3.87Å; E177-R180 PolarHBondContact OE1-NH2 2.9Å; E177-R180 IonicContact OE2-CZ 3.68Å; E177-R180 IonicContact OE2-NE 3.97Å; E177-R180 PolarHBondContact OE2-NE 3.33Å; E177-R180 IonicContact OE2-NH2 3.73Å; E177-V181 WeakPolarHBondContact O-CG2 3.35Å; E177-V181 PolarHBondContact O-N 3.43Å |
| 178 | E | 96.3 | Very high | 97.4 | Very high | 91 Ų | 91 | 93.9 Ų | 93.9 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 171.8 | -75.7 | 173.4 | -178.5 | 0 | 0 | 112 | T174 R175 R180 V181 Q182 | T174-E178 HydrophobicContact CG2-CG 4.42Å; T174-E178 WeakPolarHBondContact O-CB 3.23Å; T174-E178 WeakPolarHBondContact O-CG 3.42Å; T174-E178 PolarHBondContact O-N 3.39Å; R175-E178 IonicContact NH1-OE2 3.55Å; R175-E178 PolarHBondContact NH1-OE2 3.44Å; E178-R180 VanDerWaalsContact C-N 3.34Å; E178-V181 PolarHBondContact O-N 2.93Å; E178-Q182 WeakPolarHBondContact O-CB 3.36Å; E178-Q182 VanDerWaalsContact O-CG 3.26Å; E178-Q182 WeakPolarHBondContact O-CG 3.47Å; E178-Q182 PolarHBondContact O-N 2.94Å |
| 179 | L | 98.1 | Very high | 97.4 | Very high | 78 Ų | 78 | 95.9 Ų | 95.9 | 41% | 0.408 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 177.7 | -73.9 | 172 | 0 | 0 | 0 | 111.9 | R175 V176 E177 Q182 L183 | R175-L179 HydrophobicContact CG-CD1 4.43Å; R175-L179 WeakPolarHBondContact O-CG 3.48Å; R175-L179 PolarHBondContact O-N 2.95Å; R175-L179 VanDerWaalsContact O-N 3.14Å; V176-L179 PolarHBondContact O-N 3.45Å; E177-L179 PolarHBondContact O-N 3.09Å; L179-Q182 PolarHBondContact O-N 3.39Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 PolarHBondContact O-N 3.33Å |
| 180 | R | 97.9 | Very high | 97.4 | Very high | 114 Ų | 114 | 95.6 Ų | 95.6 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 175.2 | -169 | -164.8 | 69.2 | 66.5 | 2.5 | 110.9 | V176 E177 E178 L183 E184 | V176-R180 WeakPolarHBondContact O-CB 3.45Å; V176-R180 PolarHBondContact O-N 2.82Å; E177-R180 VanDerWaalsContact CD-NE 3.32Å; E177-R180 WeakPolarHBondContact O-CB 3.37Å; E177-R180 PolarHBondContact O-N 2.73Å; E177-R180 IonicContact OE1-CZ 3.03Å; E177-R180 VanDerWaalsContact OE1-CZ 3.29Å; E177-R180 IonicContact OE1-NE 3.1Å; E177-R180 PolarHBondContact OE1-NE 2.95Å; E177-R180 VanDerWaalsContact OE1-NE 3.09Å; E177-R180 IonicContact OE1-NH2 3.87Å; E177-R180 PolarHBondContact OE1-NH2 2.9Å; E177-R180 IonicContact OE2-CZ 3.68Å; E177-R180 IonicContact OE2-NE 3.97Å; E177-R180 PolarHBondContact OE2-NE 3.33Å; E177-R180 IonicContact OE2-NH2 3.73Å; E178-R180 VanDerWaalsContact C-N 3.34Å; R180-L183 PolarHBondContact O-N 3.47Å; R180-E184 IonicContact CZ-OE2 3.29Å; R180-E184 IonicContact NH1-OE2 3.55Å; R180-E184 PolarHBondContact NH1-OE2 3.46Å; R180-E184 IonicContact NH2-OE2 2.67Å; R180-E184 WeakPolarHBondContact O-CB 3.42Å; R180-E184 PolarHBondContact O-N 3.26Å |
| 181 | V | 97.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 98.7 Ų | 98.7 | 39% | 0.394 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | E177 E178 E184 T185 | E177-V181 WeakPolarHBondContact O-CG2 3.35Å; E177-V181 PolarHBondContact O-N 3.43Å; E178-V181 PolarHBondContact O-N 2.93Å; V181-E184 PolarHBondContact O-N 2.94Å; V181-T185 WeakPolarHBondContact O-CB 3.33Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.75Å |
| 182 | Q | 97.9 | Very high | 97.4 | Very high | 111 Ų | 111 | 98.1 Ų | 98.1 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.4 | -75.4 | 174.7 | 3.7 | 0 | 0 | 111.8 | E178 L179 T185 A186 | E178-Q182 WeakPolarHBondContact O-CB 3.36Å; E178-Q182 VanDerWaalsContact O-CG 3.26Å; E178-Q182 WeakPolarHBondContact O-CG 3.47Å; E178-Q182 PolarHBondContact O-N 2.94Å; L179-Q182 PolarHBondContact O-N 3.39Å; Q182-T185 PolarHBondContact O-N 3.17Å; Q182-A186 WeakPolarHBondContact O-CB 3.42Å; Q182-A186 PolarHBondContact O-N 2.84Å |
| 183 | L | 97.9 | Very high | 97.3 | Very high | 100 Ų | 100 | 94.7 Ų | 94.7 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 178.3 | -175.8 | 62.4 | 0 | 0 | 0 | 111.9 | L179 R180 T185 A186 F187 | L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 PolarHBondContact O-N 3.33Å; R180-L183 PolarHBondContact O-N 3.47Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 3.14Å; L183-A186 PolarHBondContact O-N 3.42Å; L183-F187 HydrophobicContact CD1-CD2 3.8Å; L183-F187 HydrophobicContact CD1-CE2 3.37Å; L183-F187 HydrophobicContact CD1-CZ 4.14Å; L183-F187 HydrophobicContact CD2-CE2 3.98Å; L183-F187 HydrophobicContact CG-CD2 3.71Å; L183-F187 HydrophobicContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact O-CD2 3.23Å; L183-F187 WeakPolarHBondContact O-CD2 3.33Å; L183-F187 PolarHBondContact O-N 2.86Å |
| 184 | E | 97.7 | Very high | 97.3 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 175.1 | -175.6 | 172.6 | -172.1 | 0 | 0 | 111.3 | R180 V181 F187 A188 | R180-E184 IonicContact CZ-OE2 3.29Å; R180-E184 IonicContact NH1-OE2 3.55Å; R180-E184 PolarHBondContact NH1-OE2 3.46Å; R180-E184 IonicContact NH2-OE2 2.67Å; R180-E184 WeakPolarHBondContact O-CB 3.42Å; R180-E184 PolarHBondContact O-N 3.26Å; V181-E184 PolarHBondContact O-N 2.94Å; E184-F187 PolarHBondContact O-N 2.9Å; E184-A188 WeakPolarHBondContact O-CB 3.47Å; E184-A188 PolarHBondContact O-N 2.98Å |
| 185 | T | 97.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 97.8 Ų | 97.8 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.4 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | V181 Q182 L183 A188 E189 | V181-T185 WeakPolarHBondContact O-CB 3.33Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.75Å; Q182-T185 PolarHBondContact O-N 3.17Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 3.14Å; T185-A188 PolarHBondContact O-N 2.88Å; T185-E189 WeakPolarHBondContact O-CB 3.4Å; T185-E189 PolarHBondContact O-N 3.32Å |
| 186 | A | 97.3 | Very high | 97 | Very high | 49 Ų | 49 | 95.8 Ų | 95.8 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q182 L183 E189 I190 | Q182-A186 WeakPolarHBondContact O-CB 3.42Å; Q182-A186 PolarHBondContact O-N 2.84Å; L183-A186 PolarHBondContact O-N 3.42Å; A186-E189 PolarHBondContact O-N 2.99Å; A186-I190 VanDerWaalsContact O-CG1 3.27Å; A186-I190 WeakPolarHBondContact O-CG1 3.38Å; A186-I190 PolarHBondContact O-N 3.3Å |
| 187 | F | 98 | Very high | 96.7 | Very high | 128 Ų | 128 | 96.4 Ų | 96.4 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.2 | -40.9 | 175.5 | -82.7 | -60.2 | 0 | 0 | 0 | 112.6 | L183 E184 E189 I190 K191 | L183-F187 HydrophobicContact CD1-CD2 3.8Å; L183-F187 HydrophobicContact CD1-CE2 3.37Å; L183-F187 HydrophobicContact CD1-CZ 4.14Å; L183-F187 HydrophobicContact CD2-CE2 3.98Å; L183-F187 HydrophobicContact CG-CD2 3.71Å; L183-F187 HydrophobicContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact CG-CE2 3.5Å; L183-F187 VanDerWaalsContact O-CD2 3.23Å; L183-F187 WeakPolarHBondContact O-CD2 3.33Å; L183-F187 PolarHBondContact O-N 2.86Å; E184-F187 PolarHBondContact O-N 2.9Å; F187-E189 VanDerWaalsContact C-N 3.32Å; F187-E189 PolarHBondContact O-N 3.41Å; F187-I190 PolarHBondContact O-N 3.29Å; F187-K191 WeakPolarHBondContact O-CB 3.16Å; F187-K191 PolarHBondContact O-N 3.43Å |
| 188 | A | 97.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 98.8 Ų | 98.8 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E184 T185 K191 R192 | E184-A188 WeakPolarHBondContact O-CB 3.47Å; E184-A188 PolarHBondContact O-N 2.98Å; T185-A188 PolarHBondContact O-N 2.88Å; A188-K191 PolarHBondContact O-N 3.31Å; A188-R192 WeakPolarHBondContact O-CB 3.39Å; A188-R192 PolarHBondContact O-N 3.21Å |
| 189 | E | 97.7 | Very high | 96.1 | Very high | 79 Ų | 79 | 98.5 Ų | 98.5 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.3 | -178.6 | 58.5 | -169 | 0 | 0 | 112.3 | T185 A186 F187 K191 R192 L193 | T185-E189 WeakPolarHBondContact O-CB 3.4Å; T185-E189 PolarHBondContact O-N 3.32Å; A186-E189 PolarHBondContact O-N 2.99Å; F187-E189 VanDerWaalsContact C-N 3.32Å; F187-E189 PolarHBondContact O-N 3.41Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.38Å; E189-R192 PolarHBondContact O-N 2.92Å; E189-R192 IonicContact OE1-CZ 3.43Å; E189-R192 IonicContact OE1-NE 3.34Å; E189-R192 PolarHBondContact OE1-NE 3.22Å; E189-R192 IonicContact OE1-NH2 2.7Å; E189-R192 PolarHBondContact OE1-NH2 3.35Å; E189-R192 IonicContact OE2-CZ 3.66Å; E189-R192 IonicContact OE2-NE 2.77Å; E189-R192 PolarHBondContact OE2-NE 3.36Å; E189-R192 IonicContact OE2-NH2 3.7Å; E189-L193 HydrophobicContact CG-CD1 4.04Å; E189-L193 HydrophobicContact CG-CG 4.37Å; E189-L193 WeakPolarHBondContact O-CB 3.5Å; E189-L193 VanDerWaalsContact O-CG 3.32Å; E189-L193 WeakPolarHBondContact O-CG 3.38Å; E189-L193 PolarHBondContact O-N 2.95Å |
| 190 | I | 97.2 | Very high | 95.6 | Very high | 83 Ų | 83 | 98.8 Ų | 98.8 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 172.8 | -70.7 | 165 | 0 | 0 | 0 | 110.4 | A186 F187 L193 K194 | A186-I190 VanDerWaalsContact O-CG1 3.27Å; A186-I190 WeakPolarHBondContact O-CG1 3.38Å; A186-I190 PolarHBondContact O-N 3.3Å; F187-I190 PolarHBondContact O-N 3.29Å; I190-L193 PolarHBondContact O-N 3.1Å; I190-K194 HydrophobicContact CG2-CD 4.32Å; I190-K194 WeakPolarHBondContact O-CB 3.38Å; I190-K194 WeakPolarHBondContact O-CG 3.44Å; I190-K194 PolarHBondContact O-N 3.2Å |
| 191 | K | 97 | Very high | 95 | Very high | 148 Ų | 148 | 97 Ų | 97 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 177 | -172.9 | -178.1 | 178.4 | -174.8 | 0 | 111 | F187 A188 E189 L193 K194 E195 | F187-K191 WeakPolarHBondContact O-CB 3.16Å; F187-K191 PolarHBondContact O-N 3.43Å; A188-K191 PolarHBondContact O-N 3.31Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.38Å; K191-L193 PolarHBondContact O-N 2.88Å; K191-K194 PolarHBondContact O-N 3.36Å; K191-E195 PolarHBondContact O-N 2.92Å |
| 192 | R | 97.2 | Very high | 94.4 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 176.6 | -167.5 | -161.4 | 69.4 | 70.7 | 1.3 | 111.9 | A188 E189 E195 Q196 | A188-R192 WeakPolarHBondContact O-CB 3.39Å; A188-R192 PolarHBondContact O-N 3.21Å; E189-R192 PolarHBondContact O-N 2.92Å; E189-R192 IonicContact OE1-CZ 3.43Å; E189-R192 IonicContact OE1-NE 3.34Å; E189-R192 PolarHBondContact OE1-NE 3.22Å; E189-R192 IonicContact OE1-NH2 2.7Å; E189-R192 PolarHBondContact OE1-NH2 3.35Å; E189-R192 IonicContact OE2-CZ 3.66Å; E189-R192 IonicContact OE2-NE 2.77Å; E189-R192 PolarHBondContact OE2-NE 3.36Å; E189-R192 IonicContact OE2-NH2 3.7Å; R192-E195 PolarHBondContact O-N 3Å; R192-Q196 WeakPolarHBondContact O-CB 3.38Å; R192-Q196 PolarHBondContact O-N 3.11Å |
| 193 | L | 96.8 | Very high | 93.6 | Very high | 74 Ų | 74 | 95.8 Ų | 95.8 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 178 | -74 | 172 | 0 | 0 | 0 | 112.4 | E189 I190 K191 Q196 N197 | E189-L193 HydrophobicContact CG-CD1 4.04Å; E189-L193 HydrophobicContact CG-CG 4.37Å; E189-L193 WeakPolarHBondContact O-CB 3.5Å; E189-L193 VanDerWaalsContact O-CG 3.32Å; E189-L193 WeakPolarHBondContact O-CG 3.38Å; E189-L193 PolarHBondContact O-N 2.95Å; I190-L193 PolarHBondContact O-N 3.1Å; K191-L193 PolarHBondContact O-N 2.88Å; L193-Q196 PolarHBondContact O-N 2.87Å; L193-N197 WeakPolarHBondContact O-CB 2.93Å; L193-N197 PolarHBondContact O-N 2.87Å |
| 194 | K | 95.7 | Very high | 92.4 | Very high | 148 Ų | 148 | 95.2 Ų | 95.2 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 173.6 | -78.4 | -178 | 176.7 | -175 | 0 | 111.7 | I190 K191 N197 H198 | I190-K194 HydrophobicContact CG2-CD 4.32Å; I190-K194 WeakPolarHBondContact O-CB 3.38Å; I190-K194 WeakPolarHBondContact O-CG 3.44Å; I190-K194 PolarHBondContact O-N 3.2Å; K191-K194 PolarHBondContact O-N 3.36Å; K194-N197 PolarHBondContact O-N 3.38Å; K194-H198 PolarHBondContact O-N 3.08Å |
| 195 | E | 94.1 | Very high | 90.9 | Very high | 122 Ų | 122 | 93.8 Ų | 93.8 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 176.8 | -172.8 | 165 | -176.8 | 0 | 0 | 111.5 | K191 R192 N197 H198 I199 | K191-E195 PolarHBondContact O-N 2.92Å; R192-E195 PolarHBondContact O-N 3Å; E195-N197 PolarHBondContact O-N 3.04Å; E195-H198 WeakPolarHBondContact O-CB 3.49Å; E195-H198 PolarHBondContact O-N 2.89Å; E195-I199 HydrophobicContact CG-CD1 4.35Å; E195-I199 WeakPolarHBondContact O-CG1 3.42Å; E195-I199 PolarHBondContact O-N 2.94Å |
| 196 | Q | 93 | Very high | 89.2 | Confident | 83 Ų | 83 | 96.6 Ų | 96.6 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 173.6 | -174.7 | 177.8 | -3.1 | 0 | 0 | 112.2 | R192 L193 I199 L200 | R192-Q196 WeakPolarHBondContact O-CB 3.38Å; R192-Q196 PolarHBondContact O-N 3.11Å; L193-Q196 PolarHBondContact O-N 2.87Å; Q196-I199 PolarHBondContact O-N 3.41Å; Q196-L200 HydrophobicContact CG-CD1 4.17Å; Q196-L200 VanDerWaalsContact O-CG 3.31Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.3Å |
| 197 | N | 91.9 | Very high | 87.3 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 175.7 | -105.4 | -45.9 | 0 | 0 | 0 | 112.2 | L193 K194 E195 L200 S201 | L193-N197 WeakPolarHBondContact O-CB 2.93Å; L193-N197 PolarHBondContact O-N 2.87Å; K194-N197 PolarHBondContact O-N 3.38Å; E195-N197 PolarHBondContact O-N 3.04Å; N197-L200 PolarHBondContact O-N 2.88Å; N197-S201 VanDerWaalsContact O-CB 3.25Å; N197-S201 WeakPolarHBondContact O-CB 3.32Å; N197-S201 PolarHBondContact O-N 2.97Å |
| 198 | H | 90.2 | Very high | 85.2 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.3 | -49.7 | 174.8 | -170.1 | -67.4 | 0 | 0 | 0 | 110.8 | K194 E195 L200 S201 D202 | K194-H198 PolarHBondContact O-N 3.08Å; E195-H198 WeakPolarHBondContact O-CB 3.49Å; E195-H198 PolarHBondContact O-N 2.89Å; H198-L200 VanDerWaalsContact C-N 3.32Å; H198-L200 PolarHBondContact O-N 3.4Å; H198-S201 WeakPolarHBondContact O-CB 3.13Å; H198-S201 PolarHBondContact O-N 3.29Å; H198-D202 IonicContact CE1-OD1 3.97Å; H198-D202 IonicContact CE1-OD2 3.95Å; H198-D202 PolarHBondContact CE1-OD2 3.44Å; H198-D202 IonicContact ND1-OD1 3.78Å; H198-D202 IonicContact ND1-OD2 2.77Å; H198-D202 PolarHBondContact ND1-OD2 3.36Å; H198-D202 VanDerWaalsContact O-CG 3.24Å; H198-D202 PolarHBondContact O-N 3.33Å |
| 199 | I | 90.9 | Very high | 83.2 | Confident | 84 Ų | 84 | 105.5 Ų | 105.5 | 43% | 0.431 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 177.7 | -65.2 | 164.5 | 0 | 0 | 0 | 111.5 | E195 Q196 Q203 | E195-I199 HydrophobicContact CG-CD1 4.35Å; E195-I199 WeakPolarHBondContact O-CG1 3.42Å; E195-I199 PolarHBondContact O-N 2.94Å; Q196-I199 PolarHBondContact O-N 3.41Å; I199-Q203 VanDerWaalsContact O-CG 3.31Å; I199-Q203 WeakPolarHBondContact O-CG 3.38Å; I199-Q203 PolarHBondContact O-N 3.01Å; I199-Q203 VanDerWaalsContact O-N 3.13Å |
| 200 | L | 87.1 | Confident | 81 | Confident | 84 Ų | 84 | 110.3 Ų | 110.3 | 44% | 0.44 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.5 | -38.1 | 178 | -70.7 | 173.5 | 0 | 0 | 0 | 112.2 | Q196 N197 H198 Q203 C204 | Q196-L200 HydrophobicContact CG-CD1 4.17Å; Q196-L200 VanDerWaalsContact O-CG 3.31Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.3Å; N197-L200 PolarHBondContact O-N 2.88Å; H198-L200 VanDerWaalsContact C-N 3.32Å; H198-L200 PolarHBondContact O-N 3.4Å; L200-Q203 PolarHBondContact O-N 3.37Å; L200-C204 WeakPolarHBondContact O-CB 3.37Å; L200-C204 PolarHBondContact O-N 2.93Å |
| 201 | S | 84.9 | Confident | 78.5 | Confident | 76 Ų | 76 | 111.4 Ų | 111.4 | 53% | 0.531 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -44 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | N197 H198 C204 S205 | N197-S201 VanDerWaalsContact O-CB 3.25Å; N197-S201 WeakPolarHBondContact O-CB 3.32Å; N197-S201 PolarHBondContact O-N 2.97Å; H198-S201 WeakPolarHBondContact O-CB 3.13Å; H198-S201 PolarHBondContact O-N 3.29Å; S201-C204 PolarHBondContact O-N 2.92Å; S201-S205 PolarHBondContact O-N 3.38Å |
| 202 | D | 84.3 | Confident | 75.9 | Confident | 68 Ų | 68 | 111 Ų | 111 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.4 | -43.9 | 175.7 | -63.9 | -23.4 | 0 | 0 | 0 | 111.3 | H198 C204 S205 E206 | H198-D202 IonicContact CE1-OD1 3.97Å; H198-D202 IonicContact CE1-OD2 3.95Å; H198-D202 PolarHBondContact CE1-OD2 3.44Å; H198-D202 IonicContact ND1-OD1 3.78Å; H198-D202 IonicContact ND1-OD2 2.77Å; H198-D202 PolarHBondContact ND1-OD2 3.36Å; H198-D202 VanDerWaalsContact O-CG 3.24Å; H198-D202 PolarHBondContact O-N 3.33Å; D202-C204 VanDerWaalsContact C-N 3.26Å; D202-C204 PolarHBondContact O-N 3.44Å; D202-S205 PolarHBondContact O-N 2.92Å; D202-S205 PolarHBondContact O-OG 3.5Å; D202-E206 WeakPolarHBondContact O-CG 3.3Å; D202-E206 PolarHBondContact O-N 3.26Å |
| 203 | Q | 82 | Confident | 73.7 | Confident | 84 Ų | 84 | 111.7 Ų | 111.7 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.9 | -26.8 | 176 | -71.8 | 178.8 | 30.3 | 0 | 0 | 113.7 | I199 L200 K207 | I199-Q203 VanDerWaalsContact O-CG 3.31Å; I199-Q203 WeakPolarHBondContact O-CG 3.38Å; I199-Q203 PolarHBondContact O-N 3.01Å; I199-Q203 VanDerWaalsContact O-N 3.13Å; L200-Q203 PolarHBondContact O-N 3.37Å; Q203-K207 WeakPolarHBondContact O-CD 3.48Å; Q203-K207 WeakPolarHBondContact O-CG 3.5Å |
| 204 | C | 72 | Confident | 71.6 | Confident | 88 Ų | 88 | 117.3 Ų | 117.3 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -79.8 | -33.6 | 177 | -85.8 | 0 | 0 | 0 | 0 | 112.5 | L200 S201 D202 | L200-C204 WeakPolarHBondContact O-CB 3.37Å; L200-C204 PolarHBondContact O-N 2.93Å; S201-C204 PolarHBondContact O-N 2.92Å; D202-C204 VanDerWaalsContact C-N 3.26Å; D202-C204 PolarHBondContact O-N 3.44Å |
| 205 | S | 66.7 | Low | 69.1 | Low | 82 Ų | 82 | 116.1 Ų | 116.1 | 57% | 0.573 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.3 | -35.7 | 176.6 | 65 | 0 | 0 | 0 | 0 | 111.8 | S201 D202 K207 | S201-S205 PolarHBondContact O-N 3.38Å; D202-S205 PolarHBondContact O-N 2.92Å; D202-S205 PolarHBondContact O-OG 3.5Å; S205-K207 VanDerWaalsContact C-N 3.33Å; S205-K207 PolarHBondContact O-N 3.29Å |
| 206 | E | 60.7 | Low | 67.2 | Low | 147 Ų | 147 | 119.6 Ų | 119.6 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.4 | -28.3 | 176.4 | -70.4 | 177.6 | 177.9 | 0 | 0 | 113.6 | D202 K208 G209 | D202-E206 WeakPolarHBondContact O-CG 3.3Å; D202-E206 PolarHBondContact O-N 3.26Å; E206-K208 VanDerWaalsContact C-N 3.32Å; E206-K208 PolarHBondContact O-N 2.87Å; E206-G209 PolarHBondContact O-N 2.83Å |
| 207 | K | 57.6 | Low | 65.3 | Low | 155 Ų | 155 | 124.4 Ų | 124.4 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -5.2 | -175 | -78.3 | 175.7 | -174.6 | 169.9 | 0 | 115.4 | Q203 S205 G209 | Q203-K207 WeakPolarHBondContact O-CD 3.48Å; Q203-K207 WeakPolarHBondContact O-CG 3.5Å; S205-K207 VanDerWaalsContact C-N 3.33Å; S205-K207 PolarHBondContact O-N 3.29Å; K207-G209 VanDerWaalsContact C-N 3.31Å |
| 208 | K | 55.7 | Low | 63.5 | Low | 202 Ų | 202 | 129.5 Ų | 129.5 | 88% | 0.878 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -4.7 | 173 | -77.1 | -173.2 | 176.8 | 179.9 | 0 | 113.9 | E206 | E206-K208 VanDerWaalsContact C-N 3.32Å; E206-K208 PolarHBondContact O-N 2.87Å |
| 209 | G | 53.9 | Low | 61.6 | Low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -115.6 | -8.3 | -174 | 0 | 0 | 0 | 0 | 0 | 117.7 | E206 K207 | E206-G209 PolarHBondContact O-N 2.83Å; K207-G209 VanDerWaalsContact C-N 3.31Å |
| 210 | Q | 52.1 | Low | 59.9 | Low | 180 Ų | 180 | 130.2 Ų | 130.2 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | trans | -140.2 | 98 | -175.9 | -105.1 | 174.5 | 11.7 | 0 | 0 | 112.9 | ||||
| 211 | S | 45.2 | Very low | 58.7 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | trans | -67.7 | 141.6 | 161.8 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 212 | T | 41 | Very low | 58 | Low | 139 Ų | 139 | 131.9 Ų | 131.9 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | trans | 67 | 82.9 | 158.3 | 65.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 213 | S | 53 | Low | 57.5 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -154.5 | 135.2 | 154 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 214 | K | 51.3 | Low | 57.3 | Low | 193 Ų | 193 | 136.5 Ų | 136.5 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | trans | -67.6 | 132.2 | -156.7 | -62.3 | 162.8 | 178.6 | 171.9 | 0 | 114 | K216 | K214-K216 PolarHBondContact O-N 3.49Š| ||
| 215 | P | 44.6 | Very low | 57.7 | Low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | trans | -94.5 | 82.6 | 175.9 | 36 | -28.8 | 0 | 0 | 0 | 110.2 | ||||
| 216 | K | 52.6 | Low | 58.4 | Low | 195 Ų | 195 | 136.2 Ų | 136.2 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | trans | -133.8 | 13 | 179.1 | -80.1 | -169.4 | 176.2 | 178.2 | 0 | 116.9 | K214 | K214-K216 PolarHBondContact O-N 3.49Š| ||
| 217 | K | 52.7 | Low | 59.5 | Low | 185 Ų | 185 | 133.1 Ų | 133.1 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -131.4 | -0.5 | 178.9 | -107.8 | -178.7 | 179 | -179.4 | 0 | 118 | S220 | K217-S220 PolarHBondContact O-OG 3.26Š|
| 218 | R | 54 | Low | 60.8 | Low | 216 Ų | 216 | 131.9 Ų | 131.9 | 82% | 0.815 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.5 | -27.6 | -179.5 | -78.9 | -171.5 | 179.3 | -179.5 | -0.3 | 114.6 | S220 S221 | R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 3.49Å; R218-S221 PolarHBondContact O-N 3.48Å; R218-S221 PolarHBondContact O-OG 3.34Å |
| 219 | F | 50.3 | Low | 62.4 | Low | 149 Ų | 149 | 127.1 Ų | 127.1 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.1 | -21 | -174.7 | -71.5 | -73.7 | 0 | 0 | 0 | 115 | K223 | F219-K223 WeakPolarHBondContact O-CG 3.17Å; F219-K223 PolarHBondContact O-N 3.23Å |
| 220 | S | 56.2 | Low | 64.2 | Low | 71 Ų | 71 | 128.4 Ų | 128.4 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -80.5 | -33.5 | -179.4 | 54.1 | 0 | 0 | 0 | 0 | 113 | K217 R218 N224 | K217-S220 PolarHBondContact O-OG 3.26Å; R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 3.49Å; S220-N224 PolarHBondContact O-N 2.85Å; S220-N224 PolarHBondContact O-ND2 2.91Å |
| 221 | S | 62.2 | Low | 66.2 | Low | 74 Ų | 74 | 126.4 Ų | 126.4 | 52% | 0.517 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.9 | -39.3 | 178.9 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | R218 N224 Q225 | R218-S221 PolarHBondContact O-N 3.48Å; R218-S221 PolarHBondContact O-OG 3.34Å; S221-N224 PolarHBondContact O-N 3.31Å; S221-Q225 WeakPolarHBondContact O-CB 3.39Å; S221-Q225 PolarHBondContact O-N 3.38Å |
| 222 | E | 69.8 | Low | 68.4 | Low | 121 Ų | 121 | 123.7 Ų | 123.7 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68 | -38.3 | 179 | -168 | 172 | -161.8 | 0 | 0 | 112.1 | N224 Q225 S226 | E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å; E222-Q225 PolarHBondContact O-N 3.23Å; E222-S226 WeakPolarHBondContact O-CB 3.43Å; E222-S226 PolarHBondContact O-N 2.94Å; E222-S226 PolarHBondContact O-OG 3.23Å |
| 223 | K | 74.5 | Confident | 71 | Confident | 139 Ų | 139 | 122.2 Ų | 122.2 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.2 | -38.7 | 170.7 | -76.9 | -176.9 | -179.6 | -175.1 | 0 | 112.3 | F219 S226 N227 | F219-K223 WeakPolarHBondContact O-CG 3.17Å; F219-K223 PolarHBondContact O-N 3.23Å; K223-S226 VanDerWaalsContact CA-OG 3.31Å; K223-S226 WeakPolarHBondContact CA-OG 3.46Å; K223-S226 PolarHBondContact O-OG 2.98Å; K223-N227 WeakPolarHBondContact O-CB 3.44Å; K223-N227 PolarHBondContact O-N 3.39Å; K223-N227 PolarHBondContact O-ND2 3.25Å |
| 224 | N | 77.2 | Confident | 72.9 | Confident | 109 Ų | 109 | 118.7 Ų | 118.7 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.3 | -38.1 | 177 | -69.8 | -17.5 | 0 | 0 | 0 | 112.1 | S220 S221 E222 F228 | S220-N224 PolarHBondContact O-N 2.85Å; S220-N224 PolarHBondContact O-ND2 2.91Å; S221-N224 PolarHBondContact O-N 3.31Å; E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å; N224-F228 WeakPolarHBondContact O-CB 3.47Å; N224-F228 PolarHBondContact O-N 2.99Å |
| 225 | Q | 80.6 | Confident | 75 | Confident | 119 Ų | 119 | 116.2 Ų | 116.2 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -46.7 | 175.9 | -176 | 176.1 | 1 | 0 | 0 | 112.1 | S221 E222 F228 Q229 | S221-Q225 WeakPolarHBondContact O-CB 3.39Å; S221-Q225 PolarHBondContact O-N 3.38Å; E222-Q225 PolarHBondContact O-N 3.23Å; Q225-F228 WeakPolarHBondContact O-CB 3.43Å; Q225-F228 PolarHBondContact O-N 3.49Å; Q225-Q229 WeakPolarHBondContact O-CG 3.46Å; Q225-Q229 PolarHBondContact O-N 3.11Å |
| 226 | S | 80.4 | Confident | 77.4 | Confident | 45 Ų | 45 | 113.8 Ų | 113.8 | 32% | 0.315 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.5 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | E222 K223 F228 Q229 I230 | E222-S226 WeakPolarHBondContact O-CB 3.43Å; E222-S226 PolarHBondContact O-N 2.94Å; E222-S226 PolarHBondContact O-OG 3.23Å; K223-S226 VanDerWaalsContact CA-OG 3.31Å; K223-S226 WeakPolarHBondContact CA-OG 3.46Å; K223-S226 PolarHBondContact O-OG 2.98Å; S226-F228 VanDerWaalsContact C-N 3.31Å; S226-F228 PolarHBondContact O-N 2.92Å; S226-Q229 PolarHBondContact O-N 3.45Å; S226-I230 WeakPolarHBondContact O-CB 3.14Å; S226-I230 WeakPolarHBondContact O-CD1 2.89Å; S226-I230 WeakPolarHBondContact O-CG1 3.36Å; S226-I230 PolarHBondContact O-N 3.03Å |
| 227 | N | 84.1 | Confident | 79.4 | Confident | 83 Ų | 83 | 109.8 Ų | 109.8 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 173.4 | -78.3 | -31 | 0 | 0 | 0 | 112.6 | K223 K231 | K223-N227 WeakPolarHBondContact O-CB 3.44Å; K223-N227 PolarHBondContact O-N 3.39Å; K223-N227 PolarHBondContact O-ND2 3.25Å; N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 VanDerWaalsContact O-CG 3.26Å; N227-K231 WeakPolarHBondContact O-CG 3.4Å; N227-K231 PolarHBondContact O-N 3.17Å |
| 228 | F | 85.4 | Confident | 81.5 | Confident | 129 Ų | 129 | 108.1 Ų | 108.1 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -46.1 | 174.4 | -178.5 | -94.7 | 0 | 0 | 0 | 111.6 | N224 Q225 S226 I230 K231 T232 | N224-F228 WeakPolarHBondContact O-CB 3.47Å; N224-F228 PolarHBondContact O-N 2.99Å; Q225-F228 WeakPolarHBondContact O-CB 3.43Å; Q225-F228 PolarHBondContact O-N 3.49Å; S226-F228 VanDerWaalsContact C-N 3.31Å; S226-F228 PolarHBondContact O-N 2.92Å; F228-I230 PolarHBondContact O-N 2.83Å; F228-K231 PolarHBondContact O-N 3.01Å; F228-T232 PolarHBondContact O-N 2.98Å; F228-T232 PolarHBondContact O-OG1 3.07Å; F228-T232 VanDerWaalsContact O-OG1 3.07Å |
| 229 | Q | 90.1 | Very high | 83.5 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.5 | -72.2 | 175.5 | -2 | 0 | 0 | 111.6 | Q225 S226 K231 T232 L233 | Q225-Q229 WeakPolarHBondContact O-CG 3.46Å; Q225-Q229 PolarHBondContact O-N 3.11Å; S226-Q229 PolarHBondContact O-N 3.45Å; Q229-K231 PolarHBondContact O-N 3.46Å; Q229-T232 PolarHBondContact O-N 3.14Å; Q229-L233 WeakPolarHBondContact O-CB 3.31Å; Q229-L233 WeakPolarHBondContact O-CG 3.44Å; Q229-L233 PolarHBondContact O-N 2.89Å |
| 230 | I | 91.5 | Very high | 85.7 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.4 | -68.9 | 164.2 | 0 | 0 | 0 | 110.9 | S226 F228 T232 L233 S234 | S226-I230 WeakPolarHBondContact O-CB 3.14Å; S226-I230 WeakPolarHBondContact O-CD1 2.89Å; S226-I230 WeakPolarHBondContact O-CG1 3.36Å; S226-I230 PolarHBondContact O-N 3.03Å; F228-I230 PolarHBondContact O-N 2.83Å; I230-T232 VanDerWaalsContact C-N 3.33Å; I230-T232 PolarHBondContact O-N 3.28Å; I230-L233 PolarHBondContact O-N 3.44Å; I230-S234 VanDerWaalsContact O-CB 3.25Å; I230-S234 WeakPolarHBondContact O-CB 3.47Å; I230-S234 PolarHBondContact O-N 2.98Å; I230-S234 PolarHBondContact O-OG 3.45Å |
| 231 | K | 93 | Very high | 87.6 | Confident | 139 Ų | 139 | 99.8 Ų | 99.8 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 176.7 | -77.8 | 177.2 | -179.4 | -175.3 | 0 | 112.4 | N227 F228 Q229 R235 | N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 VanDerWaalsContact O-CG 3.26Å; N227-K231 WeakPolarHBondContact O-CG 3.4Å; N227-K231 PolarHBondContact O-N 3.17Å; F228-K231 PolarHBondContact O-N 3.01Å; Q229-K231 PolarHBondContact O-N 3.46Å; K231-R235 PolarHBondContact O-N 2.79Å; K231-R235 VanDerWaalsContact O-N 3.12Å |
| 232 | T | 92.1 | Very high | 89.2 | Confident | 49 Ų | 49 | 102.5 Ų | 102.5 | 30% | 0.301 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70 | -48.1 | 177 | -61.9 | 0 | 0 | 0 | 0 | 111 | F228 Q229 I230 S234 R235 V236 | F228-T232 PolarHBondContact O-N 2.98Å; F228-T232 PolarHBondContact O-OG1 3.07Å; F228-T232 VanDerWaalsContact O-OG1 3.07Å; Q229-T232 PolarHBondContact O-N 3.14Å; I230-T232 VanDerWaalsContact C-N 3.33Å; I230-T232 PolarHBondContact O-N 3.28Å; T232-S234 VanDerWaalsContact C-N 3.3Å; T232-S234 PolarHBondContact O-N 2.92Å; T232-R235 WeakPolarHBondContact O-CB 3.35Å; T232-R235 PolarHBondContact O-N 3.12Å; T232-R235 VanDerWaalsContact O-N 3.13Å; T232-R235 PolarHBondContact OG1-NH2 2.84Å; T232-V236 WeakPolarHBondContact O-CG2 3.45Å; T232-V236 PolarHBondContact O-N 3.45Å |
| 233 | L | 94.4 | Very high | 90.5 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.6 | -39.9 | 174.2 | -69.8 | 172.8 | 0 | 0 | 0 | 111.9 | Q229 I230 R235 V236 I237 | Q229-L233 WeakPolarHBondContact O-CB 3.31Å; Q229-L233 WeakPolarHBondContact O-CG 3.44Å; Q229-L233 PolarHBondContact O-N 2.89Å; I230-L233 PolarHBondContact O-N 3.44Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 3.37Å; L233-V236 PolarHBondContact O-N 3.45Å; L233-I237 WeakPolarHBondContact O-CB 3.5Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.5Å; L233-I237 PolarHBondContact O-N 3.31Å |
| 234 | S | 94.5 | Very high | 91.5 | Very high | 52 Ų | 52 | 100.9 Ų | 100.9 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 176.5 | -61 | 0 | 0 | 0 | 0 | 112.7 | I230 T232 K238 | I230-S234 VanDerWaalsContact O-CB 3.25Å; I230-S234 WeakPolarHBondContact O-CB 3.47Å; I230-S234 PolarHBondContact O-N 2.98Å; I230-S234 PolarHBondContact O-OG 3.45Å; T232-S234 VanDerWaalsContact C-N 3.3Å; T232-S234 PolarHBondContact O-N 2.92Å; S234-K238 VanDerWaalsContact O-CG 3.27Å; S234-K238 WeakPolarHBondContact O-CG 3.47Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.16Å |
| 235 | R | 95 | Very high | 92.4 | Very high | 140 Ų | 140 | 100.5 Ų | 100.5 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -50.5 | 171.9 | -84.4 | -178.7 | -76.4 | 163.1 | -1.5 | 110.8 | K231 T232 L233 I237 K238 D239 | K231-R235 PolarHBondContact O-N 2.79Å; K231-R235 VanDerWaalsContact O-N 3.12Å; T232-R235 WeakPolarHBondContact O-CB 3.35Å; T232-R235 PolarHBondContact O-N 3.12Å; T232-R235 VanDerWaalsContact O-N 3.13Å; T232-R235 PolarHBondContact OG1-NH2 2.84Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 3.37Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 PolarHBondContact O-N 2.8Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.85Å; R235-K238 VanDerWaalsContact O-N 3.08Å; R235-D239 VanDerWaalsContact O-CG 3.24Å; R235-D239 PolarHBondContact O-N 2.86Å |
| 236 | V | 95.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 99.5 Ų | 99.5 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | T232 L233 K238 D239 L240 | T232-V236 WeakPolarHBondContact O-CG2 3.45Å; T232-V236 PolarHBondContact O-N 3.45Å; L233-V236 PolarHBondContact O-N 3.45Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.4Å; V236-D239 PolarHBondContact O-N 3.49Å; V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.3Å; V236-L240 WeakPolarHBondContact O-CB 3.45Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.36Å; V236-L240 PolarHBondContact O-N 2.86Å |
| 237 | I | 95.2 | Very high | 93.9 | Very high | 112 Ų | 112 | 102.7 Ų | 102.7 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 177.3 | -70.7 | 165.5 | 0 | 0 | 0 | 111.1 | L233 R235 L240 D241 | L233-I237 WeakPolarHBondContact O-CB 3.5Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.5Å; L233-I237 PolarHBondContact O-N 3.31Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 PolarHBondContact O-N 2.8Å; I237-L240 PolarHBondContact O-N 3.39Å; I237-D241 WeakPolarHBondContact O-CB 3.48Å; I237-D241 PolarHBondContact O-N 3.24Å |
| 238 | K | 96.3 | Very high | 94.5 | Very high | 149 Ų | 149 | 102.9 Ų | 102.9 | 65% | 0.648 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 176.6 | -75.4 | 177.2 | 179.7 | -170.5 | 0 | 111.9 | S234 R235 V236 L240 D241 Q242 | S234-K238 VanDerWaalsContact O-CG 3.27Å; S234-K238 WeakPolarHBondContact O-CG 3.47Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.16Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.85Å; R235-K238 VanDerWaalsContact O-N 3.08Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.4Å; K238-L240 VanDerWaalsContact C-N 3.34Å; K238-L240 PolarHBondContact O-N 3.43Å; K238-D241 PolarHBondContact O-N 3.03Å; K238-Q242 WeakPolarHBondContact O-CB 3.49Å; K238-Q242 PolarHBondContact O-N 3.35Å |
| 239 | D | 95.6 | Very high | 94.9 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 178.5 | -62.8 | -15.9 | 0 | 0 | 0 | 110.8 | R235 V236 Q242 Q243 | R235-D239 VanDerWaalsContact O-CG 3.24Å; R235-D239 PolarHBondContact O-N 2.86Å; V236-D239 PolarHBondContact O-N 3.49Å; D239-Q242 PolarHBondContact O-N 2.91Å; D239-Q243 WeakPolarHBondContact O-CG 3.45Å; D239-Q243 PolarHBondContact O-N 3.22Å |
| 240 | L | 96.7 | Very high | 95.2 | Very high | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 174.4 | -74 | 173.6 | 0 | 0 | 0 | 112.3 | V236 I237 K238 Q243 K244 | V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.3Å; V236-L240 WeakPolarHBondContact O-CB 3.45Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.36Å; V236-L240 PolarHBondContact O-N 2.86Å; I237-L240 PolarHBondContact O-N 3.39Å; K238-L240 VanDerWaalsContact C-N 3.34Å; K238-L240 PolarHBondContact O-N 3.43Å; L240-Q243 PolarHBondContact O-N 3.4Å; L240-K244 WeakPolarHBondContact O-CB 3.41Å; L240-K244 PolarHBondContact O-N 2.82Å |
| 241 | D | 95.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 100.5 Ų | 100.5 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.2 | -164.3 | 58.6 | 0 | 0 | 0 | 111.2 | I237 K238 K244 Q245 | I237-D241 WeakPolarHBondContact O-CB 3.48Å; I237-D241 PolarHBondContact O-N 3.24Å; K238-D241 PolarHBondContact O-N 3.03Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 2.94Å; D241-Q245 VanDerWaalsContact O-CG 3.31Å; D241-Q245 WeakPolarHBondContact O-CG 3.46Å; D241-Q245 PolarHBondContact O-N 3.39Å |
| 242 | Q | 96.9 | Very high | 95.5 | Very high | 132 Ų | 132 | 99.8 Ų | 99.8 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -47.4 | 172.9 | -177.6 | 176.1 | -1.4 | 0 | 0 | 111.7 | K238 D239 K244 Q245 E246 | K238-Q242 WeakPolarHBondContact O-CB 3.49Å; K238-Q242 PolarHBondContact O-N 3.35Å; D239-Q242 PolarHBondContact O-N 2.91Å; Q242-K244 VanDerWaalsContact C-N 3.33Å; Q242-K244 PolarHBondContact O-N 2.9Å; Q242-Q245 PolarHBondContact O-N 3.32Å; Q242-E246 PolarHBondContact O-N 2.96Å |
| 243 | Q | 96.1 | Very high | 95.6 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.1 | -72.8 | 176.5 | 34.6 | 0 | 0 | 111.9 | D239 L240 E246 L247 | D239-Q243 WeakPolarHBondContact O-CG 3.45Å; D239-Q243 PolarHBondContact O-N 3.22Å; L240-Q243 PolarHBondContact O-N 3.4Å; Q243-E246 PolarHBondContact O-N 3.42Å; Q243-L247 WeakPolarHBondContact O-CB 3.38Å; Q243-L247 WeakPolarHBondContact O-CG 3.41Å; Q243-L247 PolarHBondContact O-N 2.98Å |
| 244 | K | 95.9 | Very high | 95.7 | Very high | 119 Ų | 119 | 99.8 Ų | 99.8 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.4 | 176.2 | -172.3 | 169 | -167.3 | 0 | 111.3 | L240 D241 Q242 L247 I248 | L240-K244 WeakPolarHBondContact O-CB 3.41Å; L240-K244 PolarHBondContact O-N 2.82Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 2.94Å; Q242-K244 VanDerWaalsContact C-N 3.33Å; Q242-K244 PolarHBondContact O-N 2.9Å; K244-L247 PolarHBondContact O-N 3.2Å; K244-I248 HydrophobicContact CG-CD1 4Å; K244-I248 VanDerWaalsContact O-CG1 3.27Å; K244-I248 WeakPolarHBondContact O-CG1 3.46Å; K244-I248 PolarHBondContact O-N 3.5Å |
| 245 | Q | 96.4 | Very high | 95.6 | Very high | 100 Ų | 100 | 101.1 Ų | 101.1 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.9 | -67.6 | -60.9 | -14.9 | 0 | 0 | 112.1 | D241 Q242 L247 I248 A249 | D241-Q245 VanDerWaalsContact O-CG 3.31Å; D241-Q245 WeakPolarHBondContact O-CG 3.46Å; D241-Q245 PolarHBondContact O-N 3.39Å; Q242-Q245 PolarHBondContact O-N 3.32Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; Q245-L247 PolarHBondContact O-N 3.45Å; Q245-I248 PolarHBondContact O-N 3.36Å; Q245-A249 PolarHBondContact O-N 3.4Å |
| 246 | E | 95.7 | Very high | 95.5 | Very high | 99 Ų | 99 | 97.2 Ų | 97.2 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 175.3 | -169.5 | -171.2 | 161.1 | 0 | 0 | 111.6 | Q242 Q243 A249 K250 | Q242-E246 PolarHBondContact O-N 2.96Å; Q243-E246 PolarHBondContact O-N 3.42Å; E246-A249 PolarHBondContact O-N 3.04Å; E246-K250 HydrophobicContact CG-CD 4.49Å; E246-K250 WeakPolarHBondContact O-CG 3.45Å; E246-K250 PolarHBondContact O-N 3.2Å; E246-K250 WeakPolarHBondContact OE1-CE 3.21Å; E246-K250 IonicContact OE1-NZ 2.63Å; E246-K250 PolarHBondContact OE1-NZ 3.45Å |
| 247 | L | 96.5 | Very high | 95.5 | Very high | 111 Ų | 111 | 99.9 Ų | 99.9 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 175.1 | -76 | 172.6 | 0 | 0 | 0 | 112 | Q243 K244 Q245 K250 N251 | Q243-L247 WeakPolarHBondContact O-CB 3.38Å; Q243-L247 WeakPolarHBondContact O-CG 3.41Å; Q243-L247 PolarHBondContact O-N 2.98Å; K244-L247 PolarHBondContact O-N 3.2Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; Q245-L247 PolarHBondContact O-N 3.45Å; L247-K250 PolarHBondContact O-N 3.39Å; L247-N251 WeakPolarHBondContact O-CB 3.42Å; L247-N251 PolarHBondContact O-N 2.9Å |
| 248 | I | 95.5 | Very high | 95.3 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.8 | -70.4 | 165.5 | 0 | 0 | 0 | 110.5 | K244 Q245 N251 H252 | K244-I248 HydrophobicContact CG-CD1 4Å; K244-I248 VanDerWaalsContact O-CG1 3.27Å; K244-I248 WeakPolarHBondContact O-CG1 3.46Å; K244-I248 PolarHBondContact O-N 3.5Å; Q245-I248 PolarHBondContact O-N 3.36Å; I248-N251 PolarHBondContact O-N 3.42Å; I248-H252 WeakPolarHBondContact O-CB 3.5Å; I248-H252 PolarHBondContact O-N 3Å |
| 249 | A | 95.7 | Very high | 95.1 | Very high | 62 Ų | 62 | 95.9 Ų | 95.9 | 51% | 0.512 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q245 E246 H252 C253 | Q245-A249 PolarHBondContact O-N 3.4Å; E246-A249 PolarHBondContact O-N 3.04Å; A249-H252 PolarHBondContact O-N 3.02Å; A249-C253 PolarHBondContact O-N 3.15Å |
| 250 | K | 95.9 | Very high | 94.9 | Very high | 108 Ų | 108 | 98.2 Ų | 98.2 | 47% | 0.47 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.5 | -74.4 | 176.1 | -176 | 168.8 | 0 | 111.7 | E246 L247 C253 L254 | E246-K250 HydrophobicContact CG-CD 4.49Å; E246-K250 WeakPolarHBondContact O-CG 3.45Å; E246-K250 PolarHBondContact O-N 3.2Å; E246-K250 WeakPolarHBondContact OE1-CE 3.21Å; E246-K250 IonicContact OE1-NZ 2.63Å; E246-K250 PolarHBondContact OE1-NZ 3.45Å; L247-K250 PolarHBondContact O-N 3.39Å; K250-C253 WeakPolarHBondContact O-CB 3.38Å; K250-C253 PolarHBondContact O-N 3.47Å; K250-L254 WeakPolarHBondContact O-CG 3.47Å; K250-L254 PolarHBondContact O-N 3.47Å |
| 251 | N | 94.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 98.7 Ų | 98.7 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 178.3 | -135.1 | -36.9 | 0 | 0 | 0 | 111.1 | L247 I248 C253 L254 V255 | L247-N251 WeakPolarHBondContact O-CB 3.42Å; L247-N251 PolarHBondContact O-N 2.9Å; I248-N251 PolarHBondContact O-N 3.42Å; N251-C253 VanDerWaalsContact C-N 3.34Å; N251-C253 PolarHBondContact O-N 3.17Å; N251-L254 PolarHBondContact O-N 3.16Å; N251-V255 WeakPolarHBondContact O-CB 3.32Å; N251-V255 VanDerWaalsContact O-CG2 3.3Å; N251-V255 WeakPolarHBondContact O-CG2 3.33Å; N251-V255 PolarHBondContact O-N 3.27Å |
| 252 | H | 95.6 | Very high | 94 | Very high | 124 Ų | 124 | 102.8 Ų | 102.8 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -41.5 | 174.5 | -176.4 | -101.4 | 0 | 0 | 0 | 112.2 | I248 A249 N256 | I248-H252 WeakPolarHBondContact O-CB 3.5Å; I248-H252 PolarHBondContact O-N 3Å; A249-H252 PolarHBondContact O-N 3.02Å; H252-N256 PolarHBondContact CE1-ND2 3.34Å; H252-N256 PolarHBondContact ND1-ND2 3.14Å; H252-N256 WeakPolarHBondContact O-CB 3.39Å; H252-N256 VanDerWaalsContact O-CG 3.3Å; H252-N256 PolarHBondContact O-N 3.38Å; H252-N256 PolarHBondContact O-ND2 3.16Å |
| 253 | C | 94.6 | Very high | 93.4 | Very high | 61 Ų | 61 | 103.9 Ų | 103.9 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | A249 K250 N251 N256 K257 | A249-C253 PolarHBondContact O-N 3.15Å; K250-C253 WeakPolarHBondContact O-CB 3.38Å; K250-C253 PolarHBondContact O-N 3.47Å; N251-C253 VanDerWaalsContact C-N 3.34Å; N251-C253 PolarHBondContact O-N 3.17Å; C253-N256 PolarHBondContact O-N 2.95Å; C253-K257 WeakPolarHBondContact O-CG 3.45Å; C253-K257 PolarHBondContact O-N 3.2Å |
| 254 | L | 95.4 | Very high | 92.7 | Very high | 96 Ų | 96 | 105.5 Ų | 105.5 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.6 | -72.2 | 172.8 | 0 | 0 | 0 | 112.3 | K250 N251 N256 K257 I258 | K250-L254 WeakPolarHBondContact O-CG 3.47Å; K250-L254 PolarHBondContact O-N 3.47Å; N251-L254 PolarHBondContact O-N 3.16Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.48Å; L254-K257 WeakPolarHBondContact O-CB 3.36Å; L254-K257 PolarHBondContact O-N 3.36Å; L254-K257 VanDerWaalsContact O-N 3.14Å; L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 3.33Å |
| 255 | V | 93.6 | Very high | 91.8 | Very high | 79 Ų | 79 | 106.3 Ų | 106.3 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | N251 I258 Q259 | N251-V255 WeakPolarHBondContact O-CB 3.32Å; N251-V255 VanDerWaalsContact O-CG2 3.3Å; N251-V255 WeakPolarHBondContact O-CG2 3.33Å; N251-V255 PolarHBondContact O-N 3.27Å; V255-I258 PolarHBondContact O-N 3.1Å; V255-Q259 WeakPolarHBondContact O-CB 3.37Å; V255-Q259 PolarHBondContact O-N 3.37Å |
| 256 | N | 93 | Very high | 90.6 | Very high | 59 Ų | 59 | 106.2 Ų | 106.2 | 32% | 0.316 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.3 | -75.4 | -29.5 | 0 | 0 | 0 | 112.7 | H252 C253 L254 Q259 K260 | H252-N256 PolarHBondContact CE1-ND2 3.34Å; H252-N256 PolarHBondContact ND1-ND2 3.14Å; H252-N256 WeakPolarHBondContact O-CB 3.39Å; H252-N256 VanDerWaalsContact O-CG 3.3Å; H252-N256 PolarHBondContact O-N 3.38Å; H252-N256 PolarHBondContact O-ND2 3.16Å; C253-N256 PolarHBondContact O-N 2.95Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.48Å; N256-Q259 PolarHBondContact O-N 3.14Å; N256-K260 WeakPolarHBondContact O-CG 3.43Å; N256-K260 PolarHBondContact O-N 3.44Å |
| 257 | K | 93.6 | Very high | 89.1 | Confident | 126 Ų | 126 | 104.8 Ų | 104.8 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 173.6 | -74.6 | -179.6 | -179.5 | -175.9 | 0 | 111.5 | C253 L254 Q259 K260 L261 | C253-K257 WeakPolarHBondContact O-CG 3.45Å; C253-K257 PolarHBondContact O-N 3.2Å; L254-K257 WeakPolarHBondContact O-CB 3.36Å; L254-K257 PolarHBondContact O-N 3.36Å; L254-K257 VanDerWaalsContact O-N 3.14Å; K257-Q259 PolarHBondContact O-N 3.39Å; K257-K260 WeakPolarHBondContact O-CB 3.24Å; K257-K260 PolarHBondContact O-N 2.87Å; K257-L261 WeakPolarHBondContact O-CG 3.37Å; K257-L261 PolarHBondContact O-N 3.03Å |
| 258 | I | 92.7 | Very high | 87.1 | Confident | 89 Ų | 89 | 107.1 Ų | 107.1 | 46% | 0.456 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177 | -70 | 169.1 | 0 | 0 | 0 | 110.3 | L254 V255 K260 L261 Y262 | L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 3.33Å; V255-I258 PolarHBondContact O-N 3.1Å; I258-K260 VanDerWaalsContact C-N 3.32Å; I258-K260 PolarHBondContact O-N 3.4Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 3.01Å; I258-L261 VanDerWaalsContact O-N 3.14Å; I258-Y262 HydrophobicContact CG2-CD2 3.55Å; I258-Y262 HydrophobicContact CG2-CE2 3.52Å; I258-Y262 WeakPolarHBondContact O-CD2 3.43Å; I258-Y262 PolarHBondContact O-N 3.13Å |
| 259 | Q | 90.9 | Very high | 85.1 | Confident | 89 Ų | 89 | 109 Ų | 109 | 42% | 0.416 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -39 | 178 | -167.3 | -178 | 12.5 | 0 | 0 | 112 | V255 N256 K257 Y262 R263 | V255-Q259 WeakPolarHBondContact O-CB 3.37Å; V255-Q259 PolarHBondContact O-N 3.37Å; N256-Q259 PolarHBondContact O-N 3.14Å; K257-Q259 PolarHBondContact O-N 3.39Å; Q259-Y262 PolarHBondContact O-N 3.48Å; Q259-R263 WeakPolarHBondContact O-CG 3.36Å; Q259-R263 PolarHBondContact O-N 3.24Å |
| 260 | K | 90.7 | Very high | 83.1 | Confident | 132 Ų | 132 | 111.2 Ų | 111.2 | 57% | 0.574 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.1 | -47.6 | 171.8 | -74.5 | 176.7 | -179.2 | -173.5 | 0 | 111.1 | N256 K257 I258 Y262 R263 H264 | N256-K260 WeakPolarHBondContact O-CG 3.43Å; N256-K260 PolarHBondContact O-N 3.44Å; K257-K260 WeakPolarHBondContact O-CB 3.24Å; K257-K260 PolarHBondContact O-N 2.87Å; I258-K260 VanDerWaalsContact C-N 3.32Å; I258-K260 PolarHBondContact O-N 3.4Å; K260-Y262 PolarHBondContact O-N 2.9Å; K260-R263 WeakPolarHBondContact O-CB 3.2Å; K260-R263 PolarHBondContact O-N 3.01Å; K260-R263 VanDerWaalsContact O-N 3.16Å; K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 PolarHBondContact O-N 3.19Å |
| 261 | L | 88.9 | Confident | 81.1 | Confident | 108 Ų | 108 | 116.4 Ų | 116.4 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.4 | -43.9 | 177.5 | -68.4 | 173 | 0 | 0 | 0 | 112.4 | K257 I258 R263 H264 L265 | K257-L261 WeakPolarHBondContact O-CG 3.37Å; K257-L261 PolarHBondContact O-N 3.03Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 3.01Å; I258-L261 VanDerWaalsContact O-N 3.14Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.43Å; L261-H264 PolarHBondContact O-N 3.47Å; L261-L265 WeakPolarHBondContact O-CB 3.5Å; L261-L265 WeakPolarHBondContact O-CG 3.19Å; L261-L265 PolarHBondContact O-N 3.42Å |
| 262 | Y | 85.1 | Confident | 79.3 | Confident | 165 Ų | 165 | 118.9 Ų | 118.9 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.6 | -36.1 | 175 | -87.7 | -79.3 | 0 | 0 | 0 | 112.5 | I258 Q259 K260 L265 S266 | I258-Y262 HydrophobicContact CG2-CD2 3.55Å; I258-Y262 HydrophobicContact CG2-CE2 3.52Å; I258-Y262 WeakPolarHBondContact O-CD2 3.43Å; I258-Y262 PolarHBondContact O-N 3.13Å; Q259-Y262 PolarHBondContact O-N 3.48Å; K260-Y262 PolarHBondContact O-N 2.9Å; Y262-L265 PolarHBondContact O-N 3.01Å; Y262-S266 WeakPolarHBondContact O-CB 3.26Å; Y262-S266 PolarHBondContact O-N 3.37Å |
| 263 | R | 85.3 | Confident | 77 | Confident | 156 Ų | 156 | 119.7 Ų | 119.7 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.4 | -40.7 | 174 | -71.4 | 179.7 | -160.8 | 174 | 6.7 | 111.9 | Q259 K260 L261 S266 S267 | Q259-R263 WeakPolarHBondContact O-CG 3.36Å; Q259-R263 PolarHBondContact O-N 3.24Å; K260-R263 WeakPolarHBondContact O-CB 3.2Å; K260-R263 PolarHBondContact O-N 3.01Å; K260-R263 VanDerWaalsContact O-N 3.16Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.43Å; R263-S266 PolarHBondContact O-N 2.91Å; R263-S267 WeakPolarHBondContact O-CB 3.47Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 VanDerWaalsContact O-N 3.07Å |
| 264 | H | 81.6 | Confident | 75.1 | Confident | 141 Ų | 141 | 125 Ų | 125 | 65% | 0.653 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.2 | -40.1 | 175 | -69.8 | -64.7 | 0 | 0 | 0 | 112.2 | K260 L261 | K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 PolarHBondContact O-N 3.19Å; L261-H264 PolarHBondContact O-N 3.47Å |
| 265 | L | 76.7 | Confident | 73.4 | Confident | 135 Ų | 135 | 125.2 Ų | 125.2 | 71% | 0.707 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.4 | -30 | 177.3 | -71.7 | 164.9 | 0 | 0 | 0 | 113.3 | L261 Y262 | L261-L265 WeakPolarHBondContact O-CB 3.5Å; L261-L265 WeakPolarHBondContact O-CG 3.19Å; L261-L265 PolarHBondContact O-N 3.42Å; Y262-L265 PolarHBondContact O-N 3.01Å |
| 266 | S | 70.8 | Confident | 71.3 | Confident | 98 Ų | 98 | 126.3 Ų | 126.3 | 69% | 0.685 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.8 | -20.3 | 179.5 | -175.1 | 0 | 0 | 0 | 0 | 113.2 | Y262 R263 N268 | Y262-S266 WeakPolarHBondContact O-CB 3.26Å; Y262-S266 PolarHBondContact O-N 3.37Å; R263-S266 PolarHBondContact O-N 2.91Å; S266-N268 PolarHBondContact O-N 2.94Å |
| 267 | S | 64.1 | Low | 69 | Low | 70 Ų | 70 | 133.6 Ų | 133.6 | 49% | 0.49 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -87.5 | 100.3 | 172 | -156.9 | 0 | 0 | 0 | 0 | 107.2 | R263 D269 | R263-S267 WeakPolarHBondContact O-CB 3.47Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 VanDerWaalsContact O-N 3.07Å; S267-D269 PolarHBondContact O-N 2.93Å |
| 268 | N | 54.8 | Low | 66.7 | Low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 68% | 0.68 | S | S | * | * | trans | -66.3 | 36.1 | -178.2 | -77.4 | -43.7 | 0 | 0 | 0 | 114.8 | S266 | S266-N268 PolarHBondContact O-N 2.94Š| ||
| 269 | D | 54 | Low | 64.2 | Low | 129 Ų | 129 | 138.6 Ų | 138.6 | 69% | 0.69 | 69% | 0.692 | S | S | * | * | trans | -104.8 | 152 | 165.4 | -74.2 | -42.9 | 0 | 0 | 0 | 107.8 | S267 | S267-D269 PolarHBondContact O-N 2.93Š| ||
| 270 | V | 52.2 | Low | 61.9 | Low | 108 Ų | 108 | 139.3 Ų | 139.3 | 66% | 0.655 | 71% | 0.705 | S | S | * | * | trans | 97.7 | 75.7 | 171.3 | -160.9 | 0 | 0 | 0 | 0 | 114.5 | E272 | V270-E272 HydrophobicContact CG1-CB 3.48Å; V270-E272 VanDerWaalsContact CG1-CB 3.48Å; V270-E272 HydrophobicContact CG1-CG 4.47Å; V270-E272 PolarHBondContact O-N 3.31Å; V270-E272 VanDerWaalsContact O-N 3.13Å | ||
| 271 | K | 54.1 | Low | 59.7 | Low | 216 Ų | 216 | 141.1 Ų | 141.1 | 94% | 0.939 | 72% | 0.716 | S | S | * | * | -56.9 | 88.5 | 129.5 | -68.3 | 176.1 | 179.1 | 178.3 | 0 | 108 | |||||
| 272 | E | 57.8 | Low | 57.4 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -155.4 | 142.9 | 156.3 | -101 | 156.3 | 178.1 | 0 | 0 | 108.4 | V270 I274 | V270-E272 HydrophobicContact CG1-CB 3.48Å; V270-E272 VanDerWaalsContact CG1-CB 3.48Å; V270-E272 HydrophobicContact CG1-CG 4.47Å; V270-E272 PolarHBondContact O-N 3.31Å; V270-E272 VanDerWaalsContact O-N 3.13Å; E272-I274 PolarHBondContact O-N 3.09Å | ||
| 273 | D | 47.7 | Very low | 55.7 | Low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | -41.5 | 122.8 | -168.2 | -63.3 | -47.1 | 0 | 0 | 0 | 114.7 | T275 | D273-T275 WeakPolarHBondContact CB-OG1 3.29Å; D273-T275 PolarHBondContact O-N 3.45Å | ||
| 274 | I | 54.3 | Low | 53.6 | Low | 174 Ų | 174 | 143.2 Ų | 143.2 | 89% | 0.892 | 75% | 0.745 | S | S | * | * | trans | -69.9 | 69.5 | 154.5 | -55.5 | 172.5 | 0 | 0 | 0 | 106.5 | E272 | E272-I274 PolarHBondContact O-N 3.09Š| ||
| 275 | T | 58.7 | Low | 51.8 | Low | 100 Ų | 100 | 142.6 Ų | 142.6 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | trans | -71.5 | 127.5 | 163.5 | -44 | 0 | 0 | 0 | 0 | 106.2 | D273 Y277 | D273-T275 WeakPolarHBondContact CB-OG1 3.29Å; D273-T275 PolarHBondContact O-N 3.45Å; T275-Y277 PolarHBondContact O-N 3.43Å | ||
| 276 | P | 49.7 | Very low | 49.8 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | trans | -62 | 119.1 | -176.6 | 24.6 | -31.1 | 0 | 0 | 0 | 108.4 | R278 | P276-R278 PolarHBondContact O-N 3.27Š| ||
| 277 | Y | 46.2 | Very low | 48.7 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | -62.9 | 73.8 | 170.7 | -128.1 | -101.1 | 0 | 0 | 0 | 109 | T275 C280 | T275-Y277 PolarHBondContact O-N 3.43Å; Y277-C280 WeakPolarHBondContact CE1-SG 3.42Å | ||
| 278 | R | 43.7 | Very low | 47.7 | Very low | 236 Ų | 236 | 150.1 Ų | 150.1 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -108.8 | 67 | 161.9 | -80.2 | -153.5 | -161.6 | -157.4 | 9 | 107.5 | P276 | P276-R278 PolarHBondContact O-N 3.27Š| ||
| 279 | A | 39.9 | Very low | 47.1 | Very low | 84 Ų | 84 | 150.3 Ų | 150.3 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | 179.8 | 73.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 280 | C | 43.5 | Very low | 46.4 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -126.4 | 71.2 | 143.3 | -71.8 | 0 | 0 | 0 | 0 | 105.9 | Y277 | Y277-C280 WeakPolarHBondContact CE1-SG 3.42Š| ||
| 281 | Q | 44.1 | Very low | 45.8 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -62 | 137.3 | 145.3 | -91.7 | 172.8 | -7.3 | 0 | 0 | 107.2 | ||||
| 282 | D | 41.6 | Very low | 45.3 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 63.7 | 83.7 | 146.8 | -47.1 | -22.3 | 0 | 0 | 0 | 116.8 | ||||
| 283 | D | 48.4 | Very low | 44.7 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -149 | 98.8 | 144 | -87.6 | -34.5 | 0 | 0 | 0 | 109.7 | ||||
| 284 | E | 41.8 | Very low | 44.6 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | 46.3 | 86.7 | 148 | -62.9 | -174.6 | 149.3 | 0 | 0 | 119.7 | ||||
| 285 | C | 42.8 | Very low | 43.8 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -129.4 | 79.6 | 135.8 | -104.5 | 0 | 0 | 0 | 0 | 108 | V287 | C285-V287 VanDerWaalsContact C-N 3.33Å; C285-V287 PolarHBondContact O-N 2.95Å | ||
| 286 | N | 36.3 | Very low | 42.8 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 86.6 | 175.1 | -164.2 | 7.7 | 0 | 0 | 0 | 109.5 | ||||
| 287 | V | 46.8 | Very low | 42.4 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -109.2 | 106.2 | 160.4 | -179.4 | 0 | 0 | 0 | 0 | 106.2 | C285 I289 | C285-V287 VanDerWaalsContact C-N 3.33Å; C285-V287 PolarHBondContact O-N 2.95Å; V287-I289 PolarHBondContact O-N 2.96Å; V287-I289 VanDerWaalsContact O-N 3.08Å | ||
| 288 | Q | 42.3 | Very low | 42.3 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -38 | 107.9 | -176.3 | -76.7 | 169.3 | -26.6 | 0 | 0 | 113.3 | G290 | Q288-G290 PolarHBondContact O-N 3.4Š| ||
| 289 | I | 43.3 | Very low | 42.2 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -83.8 | 90.4 | 162.9 | -61.7 | 175.2 | 0 | 0 | 0 | 106.8 | V287 S291 | V287-I289 PolarHBondContact O-N 2.96Å; V287-I289 VanDerWaalsContact O-N 3.08Å; I289-S291 PolarHBondContact O-N 3.42Å; I289-S291 VanDerWaalsContact O-N 3.12Å | ||
| 290 | G | 39.5 | Very low | 42.5 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -70.8 | 95.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q288 | Q288-G290 PolarHBondContact O-N 3.4Š| ||
| 291 | S | 39.4 | Very low | 42.7 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -65 | 131.4 | 168.9 | 73.8 | 0 | 0 | 0 | 0 | 111 | I289 | I289-S291 PolarHBondContact O-N 3.42Å; I289-S291 VanDerWaalsContact O-N 3.12Å | ||
| 292 | S | 44.2 | Very low | 42.7 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -158.5 | 107.8 | 156.5 | -71.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 293 | K | 44 | Very low | 42.9 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -52 | 139.2 | 169.8 | -71 | 162.5 | 168.5 | 170.5 | 0 | 111.5 | ||||
| 294 | T | 45.2 | Very low | 43.1 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | 165.3 | 105.9 | 132.3 | 46.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 295 | S | 39.2 | Very low | 43.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | 83.8 | 112.6 | 90.1 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 296 | S | 37.8 | Very low | 43.3 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | trans | 62.7 | 137.4 | 155.9 | -152.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 297 | E | 40.6 | Very low | 43.6 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | 69.6 | 89 | 160.6 | -66.3 | 147.8 | -129.1 | 0 | 0 | 118.2 | ||||
| 298 | N | 44.3 | Very low | 43.2 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -138.6 | 66.2 | 148 | -85.4 | -46.7 | 0 | 0 | 0 | 110.1 | L300 | N298-L300 VanDerWaalsContact C-N 3.31Å; N298-L300 PolarHBondContact O-N 2.98Å | ||
| 299 | L | 41 | Very low | 43.1 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -77.5 | 82.3 | 158.6 | -168.9 | 83.2 | 0 | 0 | 0 | 107.4 | ||||
| 300 | L | 47 | Very low | 43 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -102.9 | 85.8 | 173.7 | -74.1 | 173.4 | 0 | 0 | 0 | 109.9 | N298 A302 | N298-L300 VanDerWaalsContact C-N 3.31Å; N298-L300 PolarHBondContact O-N 2.98Å; L300-A302 PolarHBondContact O-N 3.1Å | ||
| 301 | V | 47.6 | Very low | 43.2 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | trans | -62.6 | 122.1 | 160.8 | 169.6 | 0 | 0 | 0 | 0 | 108.2 | T303 | V301-T303 PolarHBondContact O-N 3.08Š| ||
| 302 | A | 42.6 | Very low | 43.3 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -72 | 91.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L300 I304 | L300-A302 PolarHBondContact O-N 3.1Å; A302-I304 PolarHBondContact O-N 3.32Å | ||
| 303 | T | 47 | Very low | 43.5 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -79.1 | 116.4 | 167.5 | -57.4 | 0 | 0 | 0 | 0 | 109.1 | V301 V305 | V301-T303 PolarHBondContact O-N 3.08Å; T303-V305 PolarHBondContact O-N 3.43Å; T303-V305 VanDerWaalsContact O-N 3.07Å | ||
| 304 | I | 51.9 | Low | 43.4 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -63.5 | 104.7 | 171.9 | -65.1 | 168.2 | 0 | 0 | 0 | 108.2 | A302 G306 | A302-I304 PolarHBondContact O-N 3.32Å; I304-G306 PolarHBondContact O-N 2.95Å | ||
| 305 | V | 48.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -81.3 | 108.9 | 169.2 | 176.4 | 0 | 0 | 0 | 0 | 107.8 | T303 S307 | T303-V305 PolarHBondContact O-N 3.43Å; T303-V305 VanDerWaalsContact O-N 3.07Å; V305-S307 PolarHBondContact O-N 3.35Å; V305-S307 VanDerWaalsContact O-N 3.15Å | ||
| 306 | G | 41 | Very low | 43.9 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -59.8 | 111 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I304 | I304-G306 PolarHBondContact O-N 2.95Š| ||
| 307 | S | 41.5 | Very low | 44.2 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -82.7 | 116.3 | 175.9 | -160 | 0 | 0 | 0 | 0 | 109.7 | V305 V309 | V305-S307 PolarHBondContact O-N 3.35Å; V305-S307 VanDerWaalsContact O-N 3.15Å; S307-V309 PolarHBondContact O-N 3.16Å | ||
| 308 | T | 38.8 | Very low | 44.7 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -85.4 | 93 | 170 | 40.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 309 | V | 40.5 | Very low | 44.9 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -128.2 | 96.2 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | S307 | S307-V309 PolarHBondContact O-N 3.16Š| ||
| 310 | S | 41.4 | Very low | 45.4 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -172.2 | 78.6 | 150.4 | -89 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 311 | Q | 42.6 | Very low | 45.7 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -107.7 | 100.1 | 152.4 | -81.9 | -177.7 | -12.9 | 0 | 0 | 106.5 | ||||
| 312 | N | 43.2 | Very low | 46 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | 179.7 | 68.9 | 153.7 | -89.8 | -14 | 0 | 0 | 0 | 107.4 | ||||
| 313 | V | 46.6 | Very low | 46.5 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | -110.7 | 104.3 | 162.2 | 179.1 | 0 | 0 | 0 | 0 | 106.3 | N315 | V313-N315 PolarHBondContact O-N 2.88Š| ||
| 314 | T | 41.7 | Very low | 47 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -60.5 | 118.2 | 171.3 | -40.6 | 0 | 0 | 0 | 0 | 108.1 | Q316 | T314-Q316 PolarHBondContact O-N 2.86Š| ||
| 315 | N | 44.3 | Very low | 47.4 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -63.6 | 93 | 175.5 | -69.6 | -41.2 | 0 | 0 | 0 | 110 | V313 | V313-N315 PolarHBondContact O-N 2.88Š| ||
| 316 | Q | 51.6 | Low | 48 | Very low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | trans | -87.1 | 111.6 | 150.7 | -73.4 | -165.7 | 35.5 | 0 | 0 | 107.1 | T314 P318 | T314-Q316 PolarHBondContact O-N 2.86Å; Q316-P318 VanDerWaalsContact O-CD 3.23Å; Q316-P318 WeakPolarHBondContact O-CD 3.36Å | ||
| 317 | V | 45.1 | Very low | 49.3 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -56.2 | 115.1 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 318 | P | 50.8 | Low | 50.9 | Low | 86 Ų | 86 | 127 Ų | 127 | 56% | 0.558 | 69% | 0.691 | S | S | * | * | trans | -71.8 | 131.9 | 175.7 | -11.7 | 27.6 | 0 | 0 | 0 | 109.3 | Q316 V320 | Q316-P318 VanDerWaalsContact O-CD 3.23Å; Q316-P318 WeakPolarHBondContact O-CD 3.36Å; P318-V320 PolarHBondContact O-N 3.43Å | ||
| 319 | K | 49.1 | Very low | 52.8 | Low | 169 Ų | 169 | 125.3 Ų | 125.3 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | trans | -52.3 | 123.7 | 169.7 | -75.6 | 173.7 | 174.4 | 175.8 | 0 | 109.7 | S321 T322 | K319-S321 PolarHBondContact O-N 3.12Å; K319-T322 PolarHBondContact O-N 3.44Å; K319-T322 VanDerWaalsContact O-N 3.07Å; K319-T322 PolarHBondContact O-OG1 3.39Å | ||
| 320 | V | 50.2 | Low | 54.7 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.715 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -20.9 | -175.7 | 172.5 | 0 | 0 | 0 | 0 | 113.9 | P318 T322 | P318-V320 PolarHBondContact O-N 3.43Å; V320-T322 VanDerWaalsContact C-N 3.27Å; V320-T322 PolarHBondContact O-N 2.89Å |
| 321 | S | 53 | Low | 56.7 | Low | 89 Ų | 89 | 123.7 Ų | 123.7 | 62% | 0.622 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69 | -19.4 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | K319 | K319-S321 PolarHBondContact O-N 3.12Å |
| 322 | T | 54.3 | Low | 58.7 | Low | 61 Ų | 61 | 118.2 Ų | 118.2 | 37% | 0.374 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -88.3 | -12.9 | -175.9 | -10.8 | 0 | 0 | 0 | 0 | 113.9 | K319 V320 | K319-T322 PolarHBondContact O-N 3.44Å; K319-T322 VanDerWaalsContact O-N 3.07Å; K319-T322 PolarHBondContact O-OG1 3.39Å; V320-T322 VanDerWaalsContact C-N 3.27Å; V320-T322 PolarHBondContact O-N 2.89Å |
| 323 | I | 53.8 | Low | 60.9 | Low | 94 Ų | 94 | 117 Ų | 117 | 48% | 0.482 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -83.2 | -41.2 | -177.5 | -63 | 173.5 | 0 | 0 | 0 | 110 | Q325 R326 D327 | I323-Q325 PolarHBondContact O-N 2.97Å; I323-R326 PolarHBondContact O-N 2.96Å; I323-D327 PolarHBondContact O-N 3.43Å |
| 324 | V | 57.2 | Low | 62.9 | Low | 90 Ų | 90 | 116.5 Ų | 116.5 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 179.1 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | R326 D327 E328 | V324-R326 VanDerWaalsContact C-N 3.29Å; V324-R326 PolarHBondContact O-N 3.26Å; V324-D327 PolarHBondContact O-N 3.04Å; V324-E328 PolarHBondContact O-N 3.48Å |
| 325 | Q | 59.3 | Low | 65.2 | Low | 131 Ų | 131 | 113.3 Ų | 113.3 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.8 | -26.2 | 175.3 | -79.7 | -174.3 | -16.9 | 0 | 0 | 113.6 | I323 N329 | I323-Q325 PolarHBondContact O-N 2.97Å; Q325-N329 PolarHBondContact O-N 2.66Å |
| 326 | R | 62.1 | Low | 67.5 | Low | 170 Ų | 170 | 109 Ų | 109 | 64% | 0.642 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.1 | -37.8 | 175.1 | -99.7 | -170.8 | 174.2 | 84.8 | -0.9 | 111.5 | I323 V324 N329 M330 | I323-R326 PolarHBondContact O-N 2.96Å; V324-R326 VanDerWaalsContact C-N 3.29Å; V324-R326 PolarHBondContact O-N 3.26Å; R326-N329 PolarHBondContact O-N 2.94Å; R326-M330 WeakPolarHBondContact O-CG 3.35Å; R326-M330 PolarHBondContact O-N 3.15Å; R326-M330 VanDerWaalsContact O-N 3.09Å |
| 327 | D | 68.1 | Low | 69.4 | Low | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.444 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.3 | -40.1 | -178.4 | -68.1 | -20.6 | 0 | 0 | 0 | 111.8 | I323 V324 N329 M330 V331 | I323-D327 PolarHBondContact O-N 3.43Å; V324-D327 PolarHBondContact O-N 3.04Å; D327-N329 PolarHBondContact O-N 3.33Å; D327-M330 PolarHBondContact O-N 3.45Å; D327-M330 WeakPolarHBondContact OD1-CE 3.28Å; D327-V331 WeakPolarHBondContact O-CG2 3.47Å; D327-V331 PolarHBondContact O-N 2.81Å |
| 328 | E | 75 | Confident | 71.8 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -39.1 | 175.7 | -70.8 | -178 | 172 | 0 | 0 | 112.9 | V324 V331 S332 | V324-E328 PolarHBondContact O-N 3.48Å; E328-V331 PolarHBondContact O-N 2.92Å; E328-S332 PolarHBondContact O-N 3.06Å; E328-S332 VanDerWaalsContact O-N 3.13Å; E328-S332 PolarHBondContact O-OG 3.19Å |
| 329 | N | 78.7 | Confident | 73.8 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -41.8 | 175.6 | -76.3 | -11.1 | 0 | 0 | 0 | 111.9 | Q325 R326 D327 V331 S332 E333 | Q325-N329 PolarHBondContact O-N 2.66Å; R326-N329 PolarHBondContact O-N 2.94Å; D327-N329 PolarHBondContact O-N 3.33Å; N329-V331 VanDerWaalsContact C-N 3.35Å; N329-V331 PolarHBondContact O-N 2.93Å; N329-S332 PolarHBondContact O-N 2.98Å; N329-E333 WeakPolarHBondContact O-CG 3.28Å; N329-E333 PolarHBondContact O-N 3.46Å |
| 330 | M | 80.2 | Confident | 75.9 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 50% | 0.502 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 176.8 | -70.9 | -164.6 | -52.5 | 0 | 0 | 112.7 | R326 D327 S332 E333 L334 | R326-M330 WeakPolarHBondContact O-CG 3.35Å; R326-M330 PolarHBondContact O-N 3.15Å; R326-M330 VanDerWaalsContact O-N 3.09Å; D327-M330 PolarHBondContact O-N 3.45Å; D327-M330 WeakPolarHBondContact OD1-CE 3.28Å; M330-S332 VanDerWaalsContact C-N 3.33Å; M330-E333 PolarHBondContact O-N 3.03Å; M330-L334 WeakPolarHBondContact O-CB 3.44Å; M330-L334 WeakPolarHBondContact O-CG 3.42Å; M330-L334 PolarHBondContact O-N 2.91Å |
| 331 | V | 84.3 | Confident | 77.9 | Confident | 98 Ų | 98 | 97.7 Ų | 97.7 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 175.8 | 173 | 0 | 0 | 0 | 0 | 110.7 | D327 E328 N329 L334 A335 | D327-V331 WeakPolarHBondContact O-CG2 3.47Å; D327-V331 PolarHBondContact O-N 2.81Å; E328-V331 PolarHBondContact O-N 2.92Å; N329-V331 VanDerWaalsContact C-N 3.35Å; N329-V331 PolarHBondContact O-N 2.93Å; V331-L334 PolarHBondContact O-N 3.43Å; V331-A335 WeakPolarHBondContact O-CB 3.46Å; V331-A335 PolarHBondContact O-N 3.45Å |
| 332 | S | 85.1 | Confident | 79.9 | Confident | 76 Ų | 76 | 96.1 Ų | 96.1 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | E328 N329 M330 A335 S336 | E328-S332 PolarHBondContact O-N 3.06Å; E328-S332 VanDerWaalsContact O-N 3.13Å; E328-S332 PolarHBondContact O-OG 3.19Å; N329-S332 PolarHBondContact O-N 2.98Å; M330-S332 VanDerWaalsContact C-N 3.33Å; S332-A335 PolarHBondContact O-N 3.18Å; S332-S336 WeakPolarHBondContact O-CB 3.29Å; S332-S336 PolarHBondContact O-N 2.94Å |
| 333 | E | 87.8 | Confident | 81.8 | Confident | 138 Ų | 138 | 98.7 Ų | 98.7 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -41.3 | 173.9 | -74.4 | 179.7 | -168.7 | 0 | 0 | 112 | N329 M330 S336 A337 | N329-E333 WeakPolarHBondContact O-CG 3.28Å; N329-E333 PolarHBondContact O-N 3.46Å; M330-E333 PolarHBondContact O-N 3.03Å; E333-S336 PolarHBondContact O-N 2.7Å; E333-A337 WeakPolarHBondContact O-CB 3.38Å; E333-A337 PolarHBondContact O-N 3.02Å |
| 334 | L | 89.1 | Confident | 83.7 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 174.9 | -82.9 | 168.6 | 0 | 0 | 0 | 112.3 | M330 V331 A337 K338 | M330-L334 WeakPolarHBondContact O-CB 3.44Å; M330-L334 WeakPolarHBondContact O-CG 3.42Å; M330-L334 PolarHBondContact O-N 2.91Å; V331-L334 PolarHBondContact O-N 3.43Å; L334-A337 PolarHBondContact O-N 3.39Å; L334-K338 VanDerWaalsContact O-CB 3.31Å; L334-K338 WeakPolarHBondContact O-CB 3.27Å; L334-K338 PolarHBondContact O-N 2.96Å |
| 335 | A | 90.3 | Very high | 85.4 | Confident | 62 Ų | 62 | 100.1 Ų | 100.1 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | V331 S332 K338 A339 | V331-A335 WeakPolarHBondContact O-CB 3.46Å; V331-A335 PolarHBondContact O-N 3.45Å; S332-A335 PolarHBondContact O-N 3.18Å; A335-K338 PolarHBondContact O-N 3.49Å; A335-A339 PolarHBondContact O-N 3.45Å |
| 336 | S | 92.3 | Very high | 87 | Confident | 61 Ų | 61 | 100.1 Ų | 100.1 | 43% | 0.427 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.8 | -173.9 | 0 | 0 | 0 | 0 | 112 | S332 E333 K338 A339 Q340 | S332-S336 WeakPolarHBondContact O-CB 3.29Å; S332-S336 PolarHBondContact O-N 2.94Å; E333-S336 PolarHBondContact O-N 2.7Å; S336-K338 VanDerWaalsContact C-N 3.33Å; S336-K338 PolarHBondContact O-N 3.45Å; S336-A339 PolarHBondContact O-N 3.1Å; S336-Q340 WeakPolarHBondContact O-CG 3.49Å; S336-Q340 PolarHBondContact O-N 2.99Å |
| 337 | A | 92.5 | Very high | 88.6 | Confident | 34 Ų | 34 | 96.6 Ų | 96.6 | 28% | 0.281 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E333 L334 Q340 I341 | E333-A337 WeakPolarHBondContact O-CB 3.38Å; E333-A337 PolarHBondContact O-N 3.02Å; L334-A337 PolarHBondContact O-N 3.39Å; A337-Q340 PolarHBondContact O-N 3.04Å; A337-I341 VanDerWaalsContact O-CG1 3.31Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3.39Å |
| 338 | K | 94 | Very high | 89.7 | Confident | 164 Ų | 164 | 97.5 Ų | 97.5 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -39.7 | 176 | -168.9 | 177.1 | -177.9 | -178.1 | 0 | 111.9 | L334 A335 S336 I341 A342 | L334-K338 VanDerWaalsContact O-CB 3.31Å; L334-K338 WeakPolarHBondContact O-CB 3.27Å; L334-K338 PolarHBondContact O-N 2.96Å; A335-K338 PolarHBondContact O-N 3.49Å; S336-K338 VanDerWaalsContact C-N 3.33Å; S336-K338 PolarHBondContact O-N 3.45Å; K338-I341 PolarHBondContact O-N 3.25Å; K338-A342 PolarHBondContact O-N 3.1Å |
| 339 | A | 93.9 | Very high | 90.7 | Very high | 51 Ų | 51 | 97.7 Ų | 97.7 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A335 S336 A342 N343 | A335-A339 PolarHBondContact O-N 3.45Å; S336-A339 PolarHBondContact O-N 3.1Å; A339-A342 PolarHBondContact O-N 3.02Å; A339-N343 PolarHBondContact O-N 3.03Å |
| 340 | Q | 93.4 | Very high | 91.4 | Very high | 118 Ų | 118 | 95.8 Ų | 95.8 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 174.7 | -70.2 | 178.6 | 22.8 | 0 | 0 | 112 | S336 A337 N343 L344 | S336-Q340 WeakPolarHBondContact O-CG 3.49Å; S336-Q340 PolarHBondContact O-N 2.99Å; A337-Q340 PolarHBondContact O-N 3.04Å; Q340-N343 PolarHBondContact O-N 3.28Å; Q340-L344 WeakPolarHBondContact O-CG 3.47Å; Q340-L344 PolarHBondContact O-N 3.46Å |
| 341 | I | 92.3 | Very high | 92 | Very high | 82 Ų | 82 | 95.8 Ų | 95.8 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.4 | -69.4 | 166.2 | 0 | 0 | 0 | 110.8 | A337 K338 N343 L344 L345 | A337-I341 VanDerWaalsContact O-CG1 3.31Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3.39Å; K338-I341 PolarHBondContact O-N 3.25Å; I341-N343 VanDerWaalsContact C-N 3.33Å; I341-N343 PolarHBondContact O-N 3.09Å; I341-L344 PolarHBondContact O-N 3.42Å; I341-L345 HydrophobicContact CG2-CD1 4.08Å; I341-L345 HydrophobicContact CG2-CG 4.42Å; I341-L345 WeakPolarHBondContact O-CG 3.42Å; I341-L345 PolarHBondContact O-N 2.96Å |
| 342 | A | 94 | Very high | 92.4 | Very high | 55 Ų | 55 | 94.7 Ų | 94.7 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K338 A339 L345 H346 | K338-A342 PolarHBondContact O-N 3.1Å; A339-A342 PolarHBondContact O-N 3.02Å; A342-L345 PolarHBondContact O-N 3.44Å; A342-H346 PolarHBondContact O-N 3.38Å |
| 343 | N | 93.7 | Very high | 92.9 | Very high | 115 Ų | 115 | 96.4 Ų | 96.4 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 175.8 | -72 | -16.3 | 0 | 0 | 0 | 112.3 | A339 Q340 I341 L345 H346 L347 | A339-N343 PolarHBondContact O-N 3.03Å; Q340-N343 PolarHBondContact O-N 3.28Å; I341-N343 VanDerWaalsContact C-N 3.33Å; I341-N343 PolarHBondContact O-N 3.09Å; N343-L345 VanDerWaalsContact C-N 3.35Å; N343-L345 PolarHBondContact O-N 2.88Å; N343-H346 PolarHBondContact O-N 2.97Å; N343-L347 WeakPolarHBondContact O-CB 3.48Å; N343-L347 PolarHBondContact O-N 3.18Å |
| 344 | L | 93.7 | Very high | 93.1 | Very high | 105 Ų | 105 | 92.9 Ų | 92.9 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 176.5 | -73.2 | 172.7 | 0 | 0 | 0 | 112.2 | Q340 I341 L347 N348 | Q340-L344 WeakPolarHBondContact O-CG 3.47Å; Q340-L344 PolarHBondContact O-N 3.46Å; I341-L344 PolarHBondContact O-N 3.42Å; L344-L347 PolarHBondContact O-N 2.61Å; L344-N348 WeakPolarHBondContact O-CB 3.48Å; L344-N348 PolarHBondContact O-N 3.34Å |
| 345 | L | 94.3 | Very high | 93 | Very high | 110 Ų | 110 | 91 Ų | 91 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 174.3 | -72.7 | 173.1 | 0 | 0 | 0 | 111.8 | I341 A342 N343 N348 K349 | I341-L345 HydrophobicContact CG2-CD1 4.08Å; I341-L345 HydrophobicContact CG2-CG 4.42Å; I341-L345 WeakPolarHBondContact O-CG 3.42Å; I341-L345 PolarHBondContact O-N 2.96Å; A342-L345 PolarHBondContact O-N 3.44Å; N343-L345 VanDerWaalsContact C-N 3.35Å; N343-L345 PolarHBondContact O-N 2.88Å; L345-N348 PolarHBondContact O-N 3.43Å; L345-K349 PolarHBondContact O-N 2.75Å |
| 346 | H | 93.2 | Very high | 93.2 | Very high | 131 Ų | 131 | 92.6 Ų | 92.6 | 61% | 0.606 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -46.2 | 174.3 | -176 | -80.3 | 0 | 0 | 0 | 111.4 | A342 N343 N348 K349 T350 | A342-H346 PolarHBondContact O-N 3.38Å; N343-H346 PolarHBondContact O-N 2.97Å; H346-N348 PolarHBondContact O-N 2.93Å; H346-K349 WeakPolarHBondContact O-CB 3.35Å; H346-K349 PolarHBondContact O-N 3.38Å; H346-T350 PolarHBondContact O-N 3.37Å; H346-T350 PolarHBondContact O-OG1 2.92Å |
| 347 | L | 94.6 | Very high | 93.3 | Very high | 95 Ų | 95 | 96.3 Ų | 96.3 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 177.8 | -174.9 | 66.7 | 0 | 0 | 0 | 112.1 | N343 L344 K349 T350 L351 | N343-L347 WeakPolarHBondContact O-CB 3.48Å; N343-L347 PolarHBondContact O-N 3.18Å; L344-L347 PolarHBondContact O-N 2.61Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 2.85Å; L347-T350 PolarHBondContact O-N 3.34Å; L347-L351 HydrophobicContact CG-CD1 4.24Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.29Å; L347-L351 PolarHBondContact O-N 3.47Å |
| 348 | N | 91 | Very high | 93.2 | Very high | 102 Ų | 102 | 101 Ų | 101 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 175.3 | -85.6 | -22.1 | 0 | 0 | 0 | 112.2 | L344 L345 H346 L351 S352 | L344-N348 WeakPolarHBondContact O-CB 3.48Å; L344-N348 PolarHBondContact O-N 3.34Å; L345-N348 PolarHBondContact O-N 3.43Å; H346-N348 PolarHBondContact O-N 2.93Å; N348-L351 PolarHBondContact O-N 3.34Å; N348-S352 WeakPolarHBondContact O-CB 3.23Å; N348-S352 PolarHBondContact O-N 3.24Å |
| 349 | K | 96.2 | Very high | 93.2 | Very high | 132 Ų | 132 | 99 Ų | 99 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -48 | 174.6 | -174.7 | -179.9 | 175.9 | -174.7 | 0 | 111.2 | L345 H346 L347 L351 S352 E353 | L345-K349 PolarHBondContact O-N 2.75Å; H346-K349 WeakPolarHBondContact O-CB 3.35Å; H346-K349 PolarHBondContact O-N 3.38Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 2.85Å; K349-L351 PolarHBondContact O-N 3.22Å; K349-S352 WeakPolarHBondContact O-CB 3.31Å; K349-S352 PolarHBondContact O-N 2.99Å; K349-E353 WeakPolarHBondContact CE-OE1 3.39Å; K349-E353 WeakPolarHBondContact O-CG 3.23Å; K349-E353 PolarHBondContact O-N 2.88Å |
| 350 | T | 94.2 | Very high | 93.3 | Very high | 66 Ų | 66 | 103 Ų | 103 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 177 | -53.2 | 0 | 0 | 0 | 0 | 112.3 | H346 L347 E353 S354 | H346-T350 PolarHBondContact O-N 3.37Å; H346-T350 PolarHBondContact O-OG1 2.92Å; L347-T350 PolarHBondContact O-N 3.34Å; T350-E353 PolarHBondContact O-N 2.87Å; T350-S354 WeakPolarHBondContact O-CB 3.34Å; T350-S354 PolarHBondContact O-N 3.09Å |
| 351 | L | 91.7 | Very high | 93.2 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.2 | -75.4 | 171.1 | 0 | 0 | 0 | 112 | L347 N348 K349 S354 S355 | L347-L351 HydrophobicContact CG-CD1 4.24Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.29Å; L347-L351 PolarHBondContact O-N 3.47Å; N348-L351 PolarHBondContact O-N 3.34Å; K349-L351 PolarHBondContact O-N 3.22Å; L351-S354 PolarHBondContact O-N 3.1Å; L351-S355 WeakPolarHBondContact O-CB 3.21Å; L351-S355 PolarHBondContact O-N 2.97Å |
| 352 | S | 94 | Very high | 93.1 | Very high | 74 Ų | 74 | 102.4 Ų | 102.4 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | N348 K349 S355 E356 | N348-S352 WeakPolarHBondContact O-CB 3.23Å; N348-S352 PolarHBondContact O-N 3.24Å; K349-S352 WeakPolarHBondContact O-CB 3.31Å; K349-S352 PolarHBondContact O-N 2.99Å; S352-S355 PolarHBondContact O-N 3.39Å; S352-E356 PolarHBondContact O-N 3.1Å |
| 353 | E | 94.3 | Very high | 93.1 | Very high | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.8 | -71.2 | 170.7 | -175.5 | 0 | 0 | 111.7 | K349 T350 S355 E356 K357 | K349-E353 WeakPolarHBondContact CE-OE1 3.39Å; K349-E353 WeakPolarHBondContact O-CG 3.23Å; K349-E353 PolarHBondContact O-N 2.88Å; T350-E353 PolarHBondContact O-N 2.87Å; E353-S355 PolarHBondContact O-N 3.49Å; E353-E356 PolarHBondContact O-N 3.34Å; E353-K357 WeakPolarHBondContact O-CB 3.43Å; E353-K357 PolarHBondContact O-N 3.45Å |
| 354 | S | 91.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 103 Ų | 103 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | T350 L351 K357 M358 | T350-S354 WeakPolarHBondContact O-CB 3.34Å; T350-S354 PolarHBondContact O-N 3.09Å; L351-S354 PolarHBondContact O-N 3.1Å; S354-K357 PolarHBondContact O-N 3.5Å; S354-M358 PolarHBondContact O-N 3.35Å |
| 355 | S | 88.4 | Confident | 93 | Very high | 76 Ų | 76 | 103.6 Ų | 103.6 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | L351 S352 E353 M358 K359 | L351-S355 WeakPolarHBondContact O-CB 3.21Å; L351-S355 PolarHBondContact O-N 2.97Å; S352-S355 PolarHBondContact O-N 3.39Å; E353-S355 PolarHBondContact O-N 3.49Å; S355-M358 PolarHBondContact O-N 3.04Å; S355-K359 WeakPolarHBondContact O-CB 3.32Å; S355-K359 PolarHBondContact O-N 2.86Å |
| 356 | E | 94.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 101.4 Ų | 101.4 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 176.4 | -80.7 | -62.7 | 131.5 | 0 | 0 | 112.3 | S352 E353 K359 K360 | S352-E356 PolarHBondContact O-N 3.1Å; E353-E356 PolarHBondContact O-N 3.34Å; E356-K359 PolarHBondContact O-N 3.37Å; E356-K360 WeakPolarHBondContact O-CG 3.38Å; E356-K360 PolarHBondContact O-N 3.46Å; E356-K360 VanDerWaalsContact O-N 3.08Å |
| 357 | K | 93.9 | Very high | 93 | Very high | 140 Ų | 140 | 102.3 Ų | 102.3 | 61% | 0.609 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -49.5 | 173 | -174.3 | -177.5 | 176.3 | -173.6 | 0 | 111.4 | E353 S354 K359 K360 D361 | E353-K357 WeakPolarHBondContact O-CB 3.43Å; E353-K357 PolarHBondContact O-N 3.45Å; S354-K357 PolarHBondContact O-N 3.5Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.08Å; K357-K360 WeakPolarHBondContact O-CB 3.33Å; K357-K360 PolarHBondContact O-N 3.02Å; K357-K360 VanDerWaalsContact O-N 3.1Å; K357-D361 PolarHBondContact O-N 2.84Å |
| 358 | M | 89.7 | Confident | 93 | Very high | 131 Ų | 131 | 104 Ų | 104 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -36.2 | 179.9 | -167 | 177.3 | -63.7 | 0 | 0 | 112.2 | S354 S355 D361 Y362 | S354-M358 PolarHBondContact O-N 3.35Å; S355-M358 PolarHBondContact O-N 3.04Å; M358-D361 PolarHBondContact O-N 3.23Å; M358-Y362 WeakPolarHBondContact O-CB 3.18Å; M358-Y362 PolarHBondContact O-N 3.03Å |
| 359 | K | 95.3 | Very high | 92.9 | Very high | 123 Ų | 123 | 101 Ų | 101 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 174 | -170.8 | 179 | 177.2 | -174.4 | 0 | 112.2 | S355 E356 K357 Y362 E363 | S355-K359 WeakPolarHBondContact O-CB 3.32Å; S355-K359 PolarHBondContact O-N 2.86Å; E356-K359 PolarHBondContact O-N 3.37Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.08Å; K359-Y362 PolarHBondContact O-N 2.97Å; K359-E363 WeakPolarHBondContact O-CG 3.39Å; K359-E363 PolarHBondContact O-N 2.69Å; K359-E363 VanDerWaalsContact O-N 3.12Å |
| 360 | K | 95.7 | Very high | 92.7 | Very high | 136 Ų | 136 | 99.5 Ų | 99.5 | 59% | 0.591 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 174.8 | -71.9 | 176.8 | -178.2 | 177.5 | 0 | 112.1 | E356 K357 Y362 E363 I364 | E356-K360 WeakPolarHBondContact O-CG 3.38Å; E356-K360 PolarHBondContact O-N 3.46Å; E356-K360 VanDerWaalsContact O-N 3.08Å; K357-K360 WeakPolarHBondContact O-CB 3.33Å; K357-K360 PolarHBondContact O-N 3.02Å; K357-K360 VanDerWaalsContact O-N 3.1Å; K360-Y362 VanDerWaalsContact C-N 3.32Å; K360-Y362 PolarHBondContact O-N 3.48Å; K360-E363 PolarHBondContact O-N 3.27Å; K360-I364 WeakPolarHBondContact O-CG1 3.43Å; K360-I364 PolarHBondContact O-N 2.93Å |
| 361 | D | 91.1 | Very high | 92.7 | Very high | 85 Ų | 85 | 102.7 Ų | 102.7 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.3 | -68.4 | -20.4 | 0 | 0 | 0 | 111.4 | K357 M358 I364 M365 | K357-D361 PolarHBondContact O-N 2.84Å; M358-D361 PolarHBondContact O-N 3.23Å; D361-I364 PolarHBondContact O-N 3.44Å; D361-M365 WeakPolarHBondContact O-CB 3.47Å; D361-M365 PolarHBondContact O-N 2.99Å |
| 362 | Y | 90.1 | Very high | 92.6 | Very high | 102 Ų | 102 | 103.9 Ų | 103.9 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.1 | -179.7 | -97.9 | 0 | 0 | 0 | 112.5 | M358 K359 K360 I364 M365 K366 V491 | M358-Y362 WeakPolarHBondContact O-CB 3.18Å; M358-Y362 PolarHBondContact O-N 3.03Å; K359-Y362 PolarHBondContact O-N 2.97Å; K360-Y362 VanDerWaalsContact C-N 3.32Å; K360-Y362 PolarHBondContact O-N 3.48Å; Y362-I364 VanDerWaalsContact C-N 3.33Å; Y362-I364 PolarHBondContact O-N 3.34Å; Y362-M365 PolarHBondContact O-N 3.33Å; Y362-K366 WeakPolarHBondContact O-CB 3.46Å; Y362-K366 PolarHBondContact O-N 3.1Å; Y362-V491 WeakPolarHBondContact OH-CG1 3.34Å |
| 363 | E | 94 | Very high | 92.5 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 177.1 | -71.5 | -60.8 | 149 | 0 | 0 | 112.5 | K359 K360 K367 | K359-E363 WeakPolarHBondContact O-CG 3.39Å; K359-E363 PolarHBondContact O-N 2.69Å; K359-E363 VanDerWaalsContact O-N 3.12Å; K360-E363 PolarHBondContact O-N 3.27Å; E363-K367 WeakPolarHBondContact O-CG 3.47Å; E363-K367 PolarHBondContact O-N 2.97Å; E363-K367 VanDerWaalsContact O-N 3.09Å |
| 364 | I | 93.4 | Very high | 92.4 | Very high | 91 Ų | 91 | 100.7 Ų | 100.7 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 174.6 | -67.8 | 166.9 | 0 | 0 | 0 | 110.5 | K360 D361 Y362 K367 K368 | K360-I364 WeakPolarHBondContact O-CG1 3.43Å; K360-I364 PolarHBondContact O-N 2.93Å; D361-I364 PolarHBondContact O-N 3.44Å; Y362-I364 VanDerWaalsContact C-N 3.33Å; Y362-I364 PolarHBondContact O-N 3.34Å; I364-K367 PolarHBondContact O-N 3.4Å; I364-K368 PolarHBondContact O-N 2.99Å; I364-K368 VanDerWaalsContact O-N 3.1Å |
| 365 | M | 92.3 | Very high | 92.5 | Very high | 118 Ų | 118 | 101 Ų | 101 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 177.7 | -174.1 | 178.9 | -68.2 | 0 | 0 | 111.4 | D361 Y362 K367 K368 M369 | D361-M365 WeakPolarHBondContact O-CB 3.47Å; D361-M365 PolarHBondContact O-N 2.99Å; Y362-M365 PolarHBondContact O-N 3.33Å; M365-K367 PolarHBondContact O-N 3.19Å; M365-K368 PolarHBondContact O-N 3.36Å; M365-M369 PolarHBondContact O-N 3.38Å |
| 366 | K | 92 | Very high | 92.6 | Very high | 63 Ų | 63 | 102 Ų | 102 | 27% | 0.274 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 176.8 | -170.2 | 177.7 | -173.7 | 175.3 | 0 | 112.1 | Y362 K368 M369 I370 E495 | Y362-K366 WeakPolarHBondContact O-CB 3.46Å; Y362-K366 PolarHBondContact O-N 3.1Å; K366-K368 PolarHBondContact O-N 3.05Å; K366-M369 PolarHBondContact O-N 3.36Å; K366-I370 HydrophobicContact CG-CD1 4.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.5Å; K366-I370 PolarHBondContact O-N 2.91Å; K366-I370 VanDerWaalsContact O-N 3.1Å; K366-E495 WeakPolarHBondContact CE-OE1 3.33Å; K366-E495 IonicContact NZ-OE1 3.56Å; K366-E495 PolarHBondContact NZ-OE1 3.28Å |
| 367 | K | 95.1 | Very high | 92.5 | Very high | 150 Ų | 150 | 101.8 Ų | 101.8 | 65% | 0.652 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 175.3 | -74.4 | 179.6 | -178.2 | -177.1 | 0 | 112.3 | E363 I364 M365 M369 I370 E371 | E363-K367 WeakPolarHBondContact O-CG 3.47Å; E363-K367 PolarHBondContact O-N 2.97Å; E363-K367 VanDerWaalsContact O-N 3.09Å; I364-K367 PolarHBondContact O-N 3.4Å; M365-K367 PolarHBondContact O-N 3.19Å; K367-M369 PolarHBondContact O-N 3.23Å; K367-I370 PolarHBondContact O-N 3.36Å; K367-E371 PolarHBondContact O-N 3.1Å |
| 368 | K | 94.5 | Very high | 92.5 | Very high | 130 Ų | 130 | 102.6 Ų | 102.6 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -38.9 | 177.3 | -72.4 | -176.5 | 177.2 | -173.1 | 0 | 112.5 | I364 M365 K366 E371 Q372 | I364-K368 PolarHBondContact O-N 2.99Å; I364-K368 VanDerWaalsContact O-N 3.1Å; M365-K368 PolarHBondContact O-N 3.36Å; K366-K368 PolarHBondContact O-N 3.05Å; K368-E371 PolarHBondContact O-N 3.27Å; K368-Q372 WeakPolarHBondContact O-CG 3.44Å; K368-Q372 PolarHBondContact O-N 3.3Å |
| 369 | M | 89.3 | Confident | 92.6 | Very high | 40 Ų | 40 | 103.1 Ų | 103.1 | 20% | 0.197 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 174.5 | -78 | -172.3 | 67.4 | 0 | 0 | 112.2 | M365 K366 K367 E371 Q372 E373 E488 | M365-M369 PolarHBondContact O-N 3.38Å; K366-M369 PolarHBondContact O-N 3.36Å; K367-M369 PolarHBondContact O-N 3.23Å; M369-E371 VanDerWaalsContact C-N 3.27Å; M369-E371 PolarHBondContact O-N 2.81Å; M369-Q372 PolarHBondContact O-N 3.49Å; M369-E373 WeakPolarHBondContact O-CG 3.41Å; M369-E373 PolarHBondContact O-N 3.3Å; M369-E488 HydrophobicContact CE-CB 4.04Å; M369-E488 HydrophobicContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-OE1 3.24Å; M369-E488 WeakPolarHBondContact CE-OE1 3.12Å; M369-E488 WeakPolarHBondContact CE-OE2 3.3Å; M369-E488 HydrophobicContact SD-CG 3.6Å |
| 370 | I | 92.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 102.7 Ų | 102.7 | 52% | 0.518 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 178.6 | -67.1 | 166.4 | 0 | 0 | 0 | 110.4 | K366 K367 E373 A374 | K366-I370 HydrophobicContact CG-CD1 4.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.5Å; K366-I370 PolarHBondContact O-N 2.91Å; K366-I370 VanDerWaalsContact O-N 3.1Å; K367-I370 PolarHBondContact O-N 3.36Å; I370-E373 PolarHBondContact O-N 2.99Å; I370-A374 WeakPolarHBondContact O-CB 3.43Å; I370-A374 PolarHBondContact O-N 2.77Å |
| 371 | E | 93.2 | Very high | 92.1 | Very high | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 175.8 | -171.6 | 174.3 | -171.6 | 0 | 0 | 112.2 | K367 K368 M369 A374 E375 | K367-E371 PolarHBondContact O-N 3.1Å; K368-E371 PolarHBondContact O-N 3.27Å; M369-E371 VanDerWaalsContact C-N 3.27Å; M369-E371 PolarHBondContact O-N 2.81Å; E371-A374 PolarHBondContact O-N 3.2Å; E371-E375 PolarHBondContact O-N 3.41Å |
| 372 | Q | 91.2 | Very high | 92.2 | Very high | 127 Ų | 127 | 105.2 Ų | 105.2 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 175.4 | -75.1 | -176.2 | -14.4 | 0 | 0 | 112.5 | K368 M369 A374 E375 I376 | K368-Q372 WeakPolarHBondContact O-CG 3.44Å; K368-Q372 PolarHBondContact O-N 3.3Å; M369-Q372 PolarHBondContact O-N 3.49Å; Q372-A374 VanDerWaalsContact C-N 3.34Å; Q372-E375 PolarHBondContact O-N 2.91Å; Q372-I376 WeakPolarHBondContact O-CG1 3.37Å; Q372-I376 PolarHBondContact O-N 3.5Å |
| 373 | E | 90.7 | Very high | 92.1 | Very high | 65 Ų | 65 | 103.7 Ų | 103.7 | 30% | 0.304 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 174.5 | -76.3 | 177.4 | -160.1 | 0 | 0 | 111.7 | M369 I370 E375 I376 Q377 R492 | M369-E373 WeakPolarHBondContact O-CG 3.41Å; M369-E373 PolarHBondContact O-N 3.3Å; I370-E373 PolarHBondContact O-N 2.99Å; E373-E375 VanDerWaalsContact C-N 3.32Å; E373-E375 PolarHBondContact O-N 3.08Å; E373-I376 PolarHBondContact O-N 3.19Å; E373-Q377 WeakPolarHBondContact O-CG 3.24Å; E373-Q377 PolarHBondContact O-N 2.8Å; E373-R492 VanDerWaalsContact CD-NH2 3.33Å; E373-R492 IonicContact OE1-CZ 2.86Å; E373-R492 IonicContact OE1-NE 3.93Å; E373-R492 IonicContact OE1-NH2 2.73Å; E373-R492 PolarHBondContact OE1-NH2 3.36Å; E373-R492 IonicContact OE2-NH2 3.09Å |
| 374 | A | 93.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 102.9 Ų | 102.9 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I370 E371 Q372 Q377 K378 | I370-A374 WeakPolarHBondContact O-CB 3.43Å; I370-A374 PolarHBondContact O-N 2.77Å; E371-A374 PolarHBondContact O-N 3.2Å; Q372-A374 VanDerWaalsContact C-N 3.34Å; A374-Q377 PolarHBondContact O-N 3.38Å; A374-K378 PolarHBondContact O-N 3.07Å |
| 375 | E | 93 | Very high | 91.6 | Very high | 70 Ų | 70 | 106.3 Ų | 106.3 | 33% | 0.327 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 176.3 | -167.8 | 160.2 | -137.4 | 0 | 0 | 111.7 | E371 Q372 E373 Q377 K378 Y379 R451 | E371-E375 PolarHBondContact O-N 3.41Å; Q372-E375 PolarHBondContact O-N 2.91Å; E373-E375 VanDerWaalsContact C-N 3.32Å; E373-E375 PolarHBondContact O-N 3.08Å; E375-Q377 VanDerWaalsContact C-N 3.33Å; E375-Q377 PolarHBondContact O-N 2.91Å; E375-K378 WeakPolarHBondContact O-CB 3.44Å; E375-K378 PolarHBondContact O-N 3.48Å; E375-K378 VanDerWaalsContact O-N 3.12Å; E375-Y379 HydrophobicContact CG-CD2 4.11Å; E375-Y379 HydrophobicContact CG-CE2 3.91Å; E375-Y379 VanDerWaalsContact O-CD2 3.29Å; E375-Y379 WeakPolarHBondContact O-CD2 3.48Å; E375-Y379 PolarHBondContact O-N 3.45Å; E375-R451 IonicContact OE1-CZ 2.79Å; E375-R451 IonicContact OE1-NH1 3.95Å; E375-R451 PolarHBondContact OE1-NH1 3.48Å; E375-R451 IonicContact OE1-NH2 2.66Å |
| 376 | I | 90.5 | Very high | 91.3 | Very high | 96 Ų | 96 | 105.2 Ų | 105.2 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.2 | -69 | 166.9 | 0 | 0 | 0 | 110.9 | Q372 E373 K378 Y379 Q380 | Q372-I376 WeakPolarHBondContact O-CG1 3.37Å; Q372-I376 PolarHBondContact O-N 3.5Å; E373-I376 PolarHBondContact O-N 3.19Å; I376-K378 VanDerWaalsContact C-N 3.31Å; I376-K378 PolarHBondContact O-N 3.05Å; I376-Y379 PolarHBondContact O-N 2.78Å; I376-Q380 HydrophobicContact CG2-CG 4.47Å; I376-Q380 WeakPolarHBondContact O-CG 3.14Å; I376-Q380 PolarHBondContact O-N 3.39Å |
| 377 | Q | 91.5 | Very high | 91 | Very high | 92 Ų | 92 | 106.6 Ų | 106.6 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.9 | -75.3 | -176.7 | 24.8 | 0 | 0 | 112.2 | E373 A374 E375 Q380 R381 | E373-Q377 WeakPolarHBondContact O-CG 3.24Å; E373-Q377 PolarHBondContact O-N 2.8Å; A374-Q377 PolarHBondContact O-N 3.38Å; E375-Q377 VanDerWaalsContact C-N 3.33Å; E375-Q377 PolarHBondContact O-N 2.91Å; Q377-Q380 PolarHBondContact O-N 2.99Å; Q377-R381 VanDerWaalsContact O-CG 3.31Å; Q377-R381 WeakPolarHBondContact O-CG 3.32Å; Q377-R381 PolarHBondContact O-N 2.93Å |
| 378 | K | 94 | Very high | 90.5 | Very high | 156 Ų | 156 | 104.7 Ų | 104.7 | 68% | 0.678 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 175.8 | -169.1 | -179.3 | 178.4 | -175.6 | 0 | 111.1 | A374 E375 I376 R381 K382 | A374-K378 PolarHBondContact O-N 3.07Å; E375-K378 WeakPolarHBondContact O-CB 3.44Å; E375-K378 PolarHBondContact O-N 3.48Å; E375-K378 VanDerWaalsContact O-N 3.12Å; I376-K378 VanDerWaalsContact C-N 3.31Å; I376-K378 PolarHBondContact O-N 3.05Å; K378-R381 PolarHBondContact O-N 3.48Å; K378-K382 PolarHBondContact O-N 3.44Å; K378-K382 VanDerWaalsContact O-N 3.1Å |
| 379 | Y | 91.6 | Very high | 89.9 | Confident | 143 Ų | 143 | 100.9 Ų | 100.9 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -46.4 | 174.2 | -85.2 | -76 | 0 | 0 | 0 | 112 | E375 I376 R381 K382 T383 | E375-Y379 HydrophobicContact CG-CD2 4.11Å; E375-Y379 HydrophobicContact CG-CE2 3.91Å; E375-Y379 VanDerWaalsContact O-CD2 3.29Å; E375-Y379 WeakPolarHBondContact O-CD2 3.48Å; E375-Y379 PolarHBondContact O-N 3.45Å; I376-Y379 PolarHBondContact O-N 2.78Å; Y379-R381 PolarHBondContact O-N 3.27Å; Y379-K382 WeakPolarHBondContact O-CB 3.41Å; Y379-K382 PolarHBondContact O-N 3.32Å; Y379-T383 PolarHBondContact O-N 3Å; Y379-T383 PolarHBondContact O-OG1 2.94Å; Y379-T383 VanDerWaalsContact O-OG1 3.07Å |
| 380 | Q | 90.6 | Very high | 89.5 | Confident | 114 Ų | 114 | 104.2 Ų | 104.2 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 177.6 | -73.5 | 176.2 | -8.7 | 0 | 0 | 112.1 | I376 Q377 K382 T383 V384 | I376-Q380 HydrophobicContact CG2-CG 4.47Å; I376-Q380 WeakPolarHBondContact O-CG 3.14Å; I376-Q380 PolarHBondContact O-N 3.39Å; Q377-Q380 PolarHBondContact O-N 2.99Å; Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 2.97Å; Q380-T383 VanDerWaalsContact CA-OG1 3.3Å; Q380-T383 WeakPolarHBondContact CA-OG1 2.81Å; Q380-T383 PolarHBondContact O-N 3.09Å; Q380-T383 PolarHBondContact O-OG1 3.25Å; Q380-V384 WeakPolarHBondContact O-CG2 3.32Å; Q380-V384 PolarHBondContact O-N 3.42Å |
| 381 | R | 90.8 | Very high | 89.2 | Confident | 163 Ų | 163 | 103.3 Ų | 103.3 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -30.1 | 175.5 | -70.7 | 178.6 | -166.5 | -168 | 6.5 | 113.1 | Q377 K378 Y379 R385 | Q377-R381 VanDerWaalsContact O-CG 3.31Å; Q377-R381 WeakPolarHBondContact O-CG 3.32Å; Q377-R381 PolarHBondContact O-N 2.93Å; K378-R381 PolarHBondContact O-N 3.48Å; Y379-R381 PolarHBondContact O-N 3.27Å; R381-R385 WeakPolarHBondContact O-CG 3.3Å; R381-R385 PolarHBondContact O-N 3.43Å; R381-R385 PolarHBondContact O-NE 3.43Å |
| 382 | K | 92.9 | Very high | 88.8 | Confident | 111 Ų | 111 | 103 Ų | 103 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.5 | -48.3 | 174.7 | -170.5 | 177.6 | 178 | 179.2 | 0 | 110.4 | K378 Y379 Q380 V384 R385 E386 | K378-K382 PolarHBondContact O-N 3.44Å; K378-K382 VanDerWaalsContact O-N 3.1Å; Y379-K382 WeakPolarHBondContact O-CB 3.41Å; Y379-K382 PolarHBondContact O-N 3.32Å; Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 2.97Å; K382-V384 VanDerWaalsContact C-N 3.35Å; K382-V384 PolarHBondContact O-N 2.92Å; K382-R385 PolarHBondContact O-N 2.97Å; K382-E386 VanDerWaalsContact CE-OE1 3.27Å; K382-E386 WeakPolarHBondContact CE-OE1 3.39Å; K382-E386 WeakPolarHBondContact O-CG 3.29Å; K382-E386 PolarHBondContact O-N 2.92Å |
| 383 | T | 88.3 | Confident | 88.4 | Confident | 69 Ų | 69 | 99.6 Ų | 99.6 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 177.3 | 40.1 | 0 | 0 | 0 | 0 | 113.6 | Y379 Q380 E386 N387 | Y379-T383 PolarHBondContact O-N 3Å; Y379-T383 PolarHBondContact O-OG1 2.94Å; Y379-T383 VanDerWaalsContact O-OG1 3.07Å; Q380-T383 VanDerWaalsContact CA-OG1 3.3Å; Q380-T383 WeakPolarHBondContact CA-OG1 2.81Å; Q380-T383 PolarHBondContact O-N 3.09Å; Q380-T383 PolarHBondContact O-OG1 3.25Å; T383-E386 PolarHBondContact O-N 3.19Å; T383-N387 WeakPolarHBondContact O-CB 3.29Å; T383-N387 VanDerWaalsContact O-CG 3.24Å; T383-N387 PolarHBondContact O-N 3.15Å; T383-N387 PolarHBondContact O-ND2 3.24Å |
| 384 | V | 88.5 | Confident | 88.1 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | Q380 K382 E386 N387 E388 | Q380-V384 WeakPolarHBondContact O-CG2 3.32Å; Q380-V384 PolarHBondContact O-N 3.42Å; K382-V384 VanDerWaalsContact C-N 3.35Å; K382-V384 PolarHBondContact O-N 2.92Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 3.38Å; V384-N387 PolarHBondContact O-N 3.48Å; V384-E388 HydrophobicContact CG1-CG 4.37Å; V384-E388 WeakPolarHBondContact O-CG 3.33Å; V384-E388 PolarHBondContact O-N 3.01Å |
| 385 | R | 87.2 | Confident | 87.7 | Confident | 162 Ų | 162 | 104.8 Ų | 104.8 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 176.5 | -78.2 | -175.1 | -79.8 | 170.1 | -6.4 | 112.9 | R381 K382 E388 C389 | R381-R385 WeakPolarHBondContact O-CG 3.3Å; R381-R385 PolarHBondContact O-N 3.43Å; R381-R385 PolarHBondContact O-NE 3.43Å; K382-R385 PolarHBondContact O-N 2.97Å; R385-E388 PolarHBondContact O-N 3.41Å; R385-C389 WeakPolarHBondContact O-CB 3.39Å; R385-C389 PolarHBondContact O-N 3.33Å |
| 386 | E | 86.5 | Confident | 87.4 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.8 | -74.4 | 169.8 | -175.8 | 0 | 0 | 111.6 | K382 T383 V384 C389 Q390 | K382-E386 VanDerWaalsContact CE-OE1 3.27Å; K382-E386 WeakPolarHBondContact CE-OE1 3.39Å; K382-E386 WeakPolarHBondContact O-CG 3.29Å; K382-E386 PolarHBondContact O-N 2.92Å; T383-E386 PolarHBondContact O-N 3.19Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 3.38Å; E386-C389 PolarHBondContact O-N 3.05Å; E386-Q390 WeakPolarHBondContact O-CG 3.1Å; E386-Q390 PolarHBondContact O-N 3.06Å |
| 387 | N | 86.3 | Confident | 87 | Confident | 92 Ų | 92 | 103.7 Ų | 103.7 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 176.1 | -71.2 | -22.4 | 0 | 0 | 0 | 112.5 | T383 V384 Q390 T391 | T383-N387 WeakPolarHBondContact O-CB 3.29Å; T383-N387 VanDerWaalsContact O-CG 3.24Å; T383-N387 PolarHBondContact O-N 3.15Å; T383-N387 PolarHBondContact O-ND2 3.24Å; V384-N387 PolarHBondContact O-N 3.48Å; N387-Q390 PolarHBondContact O-N 3.11Å; N387-T391 WeakPolarHBondContact O-CB 3.3Å; N387-T391 PolarHBondContact O-N 3.02Å; N387-T391 PolarHBondContact O-OG1 3.2Å |
| 388 | E | 85 | Confident | 86.8 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 173.5 | -75.8 | 170.3 | 171.5 | 0 | 0 | 110.4 | V384 R385 Q390 T391 E392 | V384-E388 HydrophobicContact CG1-CG 4.37Å; V384-E388 WeakPolarHBondContact O-CG 3.33Å; V384-E388 PolarHBondContact O-N 3.01Å; R385-E388 PolarHBondContact O-N 3.41Å; E388-Q390 PolarHBondContact O-N 3.41Å; E388-T391 WeakPolarHBondContact O-CB 3.43Å; E388-T391 PolarHBondContact O-N 3.08Å; E388-T391 VanDerWaalsContact O-N 3.1Å; E388-E392 WeakPolarHBondContact O-CG 3.31Å; E388-E392 PolarHBondContact O-N 2.94Å |
| 389 | C | 80.6 | Confident | 86.5 | Confident | 50 Ų | 50 | 106.3 Ų | 106.3 | 34% | 0.338 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | R385 E386 T391 E392 V393 | R385-C389 WeakPolarHBondContact O-CB 3.39Å; R385-C389 PolarHBondContact O-N 3.33Å; E386-C389 PolarHBondContact O-N 3.05Å; C389-T391 VanDerWaalsContact C-N 3.34Å; C389-T391 PolarHBondContact O-N 3.2Å; C389-E392 PolarHBondContact O-N 3.21Å; C389-V393 VanDerWaalsContact O-CG2 3.3Å; C389-V393 WeakPolarHBondContact O-CG2 3.27Å; C389-V393 PolarHBondContact O-N 3.04Å; C389-V393 VanDerWaalsContact O-N 3.14Å |
| 390 | Q | 82.1 | Confident | 85.9 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 174.4 | -76.4 | -176 | 8.4 | 0 | 0 | 111.8 | E386 N387 E388 V393 Y394 | E386-Q390 WeakPolarHBondContact O-CG 3.1Å; E386-Q390 PolarHBondContact O-N 3.06Å; N387-Q390 PolarHBondContact O-N 3.11Å; E388-Q390 PolarHBondContact O-N 3.41Å; Q390-V393 PolarHBondContact O-N 2.85Å; Q390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Q390-Y394 PolarHBondContact O-N 3.18Å |
| 391 | T | 85 | Confident | 85.4 | Confident | 81 Ų | 81 | 105.6 Ų | 105.6 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | -179.1 | -48.3 | 0 | 0 | 0 | 0 | 111 | N387 E388 C389 V393 Y394 D395 | N387-T391 WeakPolarHBondContact O-CB 3.3Å; N387-T391 PolarHBondContact O-N 3.02Å; N387-T391 PolarHBondContact O-OG1 3.2Å; E388-T391 WeakPolarHBondContact O-CB 3.43Å; E388-T391 PolarHBondContact O-N 3.08Å; E388-T391 VanDerWaalsContact O-N 3.1Å; C389-T391 VanDerWaalsContact C-N 3.34Å; C389-T391 PolarHBondContact O-N 3.2Å; T391-V393 PolarHBondContact O-N 3.49Å; T391-Y394 PolarHBondContact O-N 3.32Å; T391-D395 PolarHBondContact O-N 3.48Å |
| 392 | E | 84.7 | Confident | 84.8 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | 173.9 | -72.1 | 179.4 | 178.8 | 0 | 0 | 112.2 | E388 C389 D395 Y396 | E388-E392 WeakPolarHBondContact O-CG 3.31Å; E388-E392 PolarHBondContact O-N 2.94Å; C389-E392 PolarHBondContact O-N 3.21Å; E392-D395 PolarHBondContact O-N 3.32Å; E392-Y396 WeakPolarHBondContact O-CB 3.47Å; E392-Y396 PolarHBondContact O-N 2.89Å |
| 393 | V | 83.6 | Confident | 83.8 | Confident | 54 Ų | 54 | 101 Ų | 101 | 33% | 0.327 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | C389 Q390 T391 D395 Y396 F397 | C389-V393 VanDerWaalsContact O-CG2 3.3Å; C389-V393 WeakPolarHBondContact O-CG2 3.27Å; C389-V393 PolarHBondContact O-N 3.04Å; C389-V393 VanDerWaalsContact O-N 3.14Å; Q390-V393 PolarHBondContact O-N 2.85Å; T391-V393 PolarHBondContact O-N 3.49Å; V393-D395 PolarHBondContact O-N 3.01Å; V393-Y396 PolarHBondContact O-N 3.21Å; V393-F397 HydrophobicContact CG1-CD2 3.75Å; V393-F397 HydrophobicContact CG1-CE2 3.54Å; V393-F397 WeakPolarHBondContact O-CD2 3.45Å; V393-F397 PolarHBondContact O-N 3.03Å |
| 394 | Y | 83.4 | Confident | 82.6 | Confident | 164 Ų | 164 | 103.7 Ų | 103.7 | 64% | 0.643 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 177.3 | -83.7 | -65.9 | 0 | 0 | 0 | 112.7 | Q390 T391 F397 R398 | Q390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Q390-Y394 PolarHBondContact O-N 3.18Å; T391-Y394 PolarHBondContact O-N 3.32Å; Y394-F397 PolarHBondContact O-N 3.18Å; Y394-R398 WeakPolarHBondContact O-CB 3.49Å; Y394-R398 PolarHBondContact O-N 3.32Å |
| 395 | D | 86.3 | Confident | 81.2 | Confident | 66 Ų | 66 | 108.4 Ų | 108.4 | 35% | 0.353 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.4 | -33.6 | 177.1 | -88.5 | -20.5 | 0 | 0 | 0 | 112.4 | T391 E392 V393 R398 K399 | T391-D395 PolarHBondContact O-N 3.48Å; E392-D395 PolarHBondContact O-N 3.32Å; V393-D395 PolarHBondContact O-N 3.01Å; D395-R398 PolarHBondContact O-N 3.45Å; D395-R398 IonicContact OD1-CZ 2.61Å; D395-R398 IonicContact OD1-NE 3.76Å; D395-R398 IonicContact OD1-NH1 3.51Å; D395-R398 PolarHBondContact OD1-NH1 3.4Å; D395-K399 WeakPolarHBondContact O-CG 3.43Å; D395-K399 PolarHBondContact O-N 2.91Å |
| 396 | Y | 85.7 | Confident | 79.8 | Confident | 43 Ų | 43 | 107 Ų | 107 | 17% | 0.169 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 171 | 179.2 | -105.9 | 0 | 0 | 0 | 111.6 | E392 V393 R398 K399 I400 Q429 I430 I433 | E392-Y396 WeakPolarHBondContact O-CB 3.47Å; E392-Y396 PolarHBondContact O-N 2.89Å; V393-Y396 PolarHBondContact O-N 3.21Å; Y396-R398 VanDerWaalsContact C-N 3.28Å; Y396-R398 PolarHBondContact O-N 2.79Å; Y396-K399 WeakPolarHBondContact O-CB 3.37Å; Y396-K399 PolarHBondContact O-N 3.49Å; Y396-K399 VanDerWaalsContact O-N 3.12Å; Y396-I400 HydrophobicContact CD1-CD1 3.96Å; Y396-I400 HydrophobicContact CE1-CD1 3.39Å; Y396-I400 HydrophobicContact CE1-CG1 4.4Å; Y396-I400 HydrophobicContact CE2-CD1 4.33Å; Y396-I400 PolarHBondContact O-N 3.35Å; Y396-I400 VanDerWaalsContact O-N 3.08Å; Y396-Q429 PolarHBondContact OH-OE1 2.83Å; Y396-Q429 VanDerWaalsContact OH-OE1 3.07Å; Y396-I430 HydrophobicContact CE1-CG1 4.12Å; Y396-I433 HydrophobicContact CD2-CD1 3.64Å; Y396-I433 HydrophobicContact CE1-CD1 4.4Å; Y396-I433 HydrophobicContact CE2-CD1 3.14Å; Y396-I433 HydrophobicContact CG-CD1 4.47Å |
| 397 | F | 83.3 | Confident | 78.3 | Confident | 99 Ų | 99 | 108.7 Ų | 108.7 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -35.7 | 175.7 | -79.2 | -65.8 | 0 | 0 | 0 | 112.8 | V393 Y394 I400 R401 I430 | V393-F397 HydrophobicContact CG1-CD2 3.75Å; V393-F397 HydrophobicContact CG1-CE2 3.54Å; V393-F397 WeakPolarHBondContact O-CD2 3.45Å; V393-F397 PolarHBondContact O-N 3.03Å; Y394-F397 PolarHBondContact O-N 3.18Å; F397-I400 PolarHBondContact O-N 2.88Å; F397-R401 WeakPolarHBondContact O-CB 3.22Å; F397-R401 PolarHBondContact O-N 2.98Å; F397-I430 HydrophobicContact CZ-CD1 4.49Å |
| 398 | R | 86.4 | Confident | 76.8 | Confident | 145 Ų | 145 | 112.7 Ų | 112.7 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 174.7 | -175.1 | -172.7 | -75.6 | 168.8 | -12 | 111.8 | Y394 D395 Y396 R401 K402 | Y394-R398 WeakPolarHBondContact O-CB 3.49Å; Y394-R398 PolarHBondContact O-N 3.32Å; D395-R398 PolarHBondContact O-N 3.45Å; D395-R398 IonicContact OD1-CZ 2.61Å; D395-R398 IonicContact OD1-NE 3.76Å; D395-R398 IonicContact OD1-NH1 3.51Å; D395-R398 PolarHBondContact OD1-NH1 3.4Å; Y396-R398 VanDerWaalsContact C-N 3.28Å; Y396-R398 PolarHBondContact O-N 2.79Å; R398-R401 PolarHBondContact O-N 2.92Å; R398-K402 WeakPolarHBondContact O-CG 3.34Å; R398-K402 PolarHBondContact O-N 2.89Å; R398-K402 VanDerWaalsContact O-N 3.14Å |
| 399 | K | 87.1 | Confident | 75.3 | Confident | 158 Ų | 158 | 116.8 Ų | 116.8 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 175.3 | -76.5 | 174.2 | -177.5 | 173.5 | 0 | 111.6 | D395 Y396 R401 K402 G403 | D395-K399 WeakPolarHBondContact O-CG 3.43Å; D395-K399 PolarHBondContact O-N 2.91Å; Y396-K399 WeakPolarHBondContact O-CB 3.37Å; Y396-K399 PolarHBondContact O-N 3.49Å; Y396-K399 VanDerWaalsContact O-N 3.12Å; K399-R401 VanDerWaalsContact C-N 3.32Å; K399-R401 PolarHBondContact O-N 2.73Å; K399-K402 PolarHBondContact O-N 2.72Å; K399-K402 VanDerWaalsContact O-N 3.16Å; K399-G403 PolarHBondContact O-N 3.12Å |
| 400 | I | 80.1 | Confident | 74 | Confident | 67 Ų | 67 | 122.2 Ų | 122.2 | 34% | 0.344 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -56.9 | -46.4 | 175.6 | -66.2 | 175.6 | 0 | 0 | 0 | 110.8 | Y396 F397 K402 G403 N404 | Y396-I400 HydrophobicContact CD1-CD1 3.96Å; Y396-I400 HydrophobicContact CE1-CD1 3.39Å; Y396-I400 HydrophobicContact CE1-CG1 4.4Å; Y396-I400 HydrophobicContact CE2-CD1 4.33Å; Y396-I400 PolarHBondContact O-N 3.35Å; Y396-I400 VanDerWaalsContact O-N 3.08Å; F397-I400 PolarHBondContact O-N 2.88Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 2.99Å; I400-G403 PolarHBondContact O-N 3.42Å; I400-N404 PolarHBondContact O-N 3.06Å |
| 401 | R | 78.7 | Confident | 72.3 | Confident | 175 Ų | 175 | 124.9 Ų | 124.9 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.7 | -23.2 | -178.6 | -166.9 | -178.8 | -95.7 | 147.4 | -9.2 | 113.8 | F397 R398 K399 | F397-R401 WeakPolarHBondContact O-CB 3.22Å; F397-R401 PolarHBondContact O-N 2.98Å; R398-R401 PolarHBondContact O-N 2.92Å; K399-R401 VanDerWaalsContact C-N 3.32Å; K399-R401 PolarHBondContact O-N 2.73Å |
| 402 | K | 80 | Confident | 70.5 | Confident | 139 Ų | 139 | 128.7 Ų | 128.7 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -83.7 | -35.1 | 173 | -75.4 | -175.7 | 178.2 | -175.2 | 0 | 112.1 | R398 K399 I400 N404 R405 | R398-K402 WeakPolarHBondContact O-CG 3.34Å; R398-K402 PolarHBondContact O-N 2.89Å; R398-K402 VanDerWaalsContact O-N 3.14Å; K399-K402 PolarHBondContact O-N 2.72Å; K399-K402 VanDerWaalsContact O-N 3.16Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 2.99Å; K402-N404 VanDerWaalsContact C-N 3.35Å; K402-N404 PolarHBondContact O-N 3.35Å; K402-R405 PolarHBondContact O-N 3.1Å |
| 403 | G | 70.9 | Confident | 68.4 | Low | 39 Ų | 39 | 126.6 Ų | 126.6 | 40% | 0.402 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.8 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K399 I400 R405 N406 | K399-G403 PolarHBondContact O-N 3.12Å; I400-G403 PolarHBondContact O-N 3.42Å; G403-R405 PolarHBondContact O-N 3.36Å; G403-R405 VanDerWaalsContact O-N 3.13Å; G403-N406 PolarHBondContact O-N 3.07Å |
| 404 | N | 62.5 | Low | 66.3 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -7.4 | -177.5 | -77 | 11.9 | 0 | 0 | 0 | 115.9 | I400 K402 | I400-N404 PolarHBondContact O-N 3.06Å; K402-N404 VanDerWaalsContact C-N 3.35Å; K402-N404 PolarHBondContact O-N 3.35Å |
| 405 | R | 59.6 | Low | 64.5 | Low | 173 Ų | 173 | 125.9 Ų | 125.9 | 65% | 0.653 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -9.9 | 179.1 | -70.7 | -167.4 | -132.9 | -156.4 | 1.6 | 114.2 | K402 G403 | K402-R405 PolarHBondContact O-N 3.1Å; G403-R405 PolarHBondContact O-N 3.36Å; G403-R405 VanDerWaalsContact O-N 3.13Å |
| 406 | N | 57.3 | Low | 62.4 | Low | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -91.8 | -5.3 | -175.3 | -66.6 | -18.4 | 0 | 0 | 0 | 113.4 | G403 | G403-N406 PolarHBondContact O-N 3.07Š|
| 407 | D | 55.3 | Low | 60.6 | Low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -97.4 | -1.9 | -178.9 | -63.7 | -23.8 | 0 | 0 | 0 | 113.9 | K409 | D407-K409 VanDerWaalsContact C-N 3.25Å; D407-K409 PolarHBondContact O-N 2.97Å |
| 408 | E | 54.3 | Low | 59.1 | Low | 176 Ų | 176 | 137.9 Ų | 137.9 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 16.6 | -177.1 | -99.2 | -177.8 | 175.2 | 0 | 0 | 115.1 | ||
| 409 | K | 54.4 | Low | 57.3 | Low | 196 Ų | 196 | 138.8 Ų | 138.8 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 16 | 179.6 | -77.5 | -168 | 176.3 | -175.6 | 0 | 115.6 | D407 | D407-K409 VanDerWaalsContact C-N 3.25Å; D407-K409 PolarHBondContact O-N 2.97Å |
| 410 | L | 53.1 | Low | 55.6 | Low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | trans | -96.8 | 123.6 | 170.8 | -75.9 | 167.3 | 0 | 0 | 0 | 111.3 | ||||
| 411 | E | 47.5 | Very low | 54.7 | Low | 167 Ų | 167 | 139.6 Ų | 139.6 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | -59.6 | 143.5 | -173.4 | -65 | 168.9 | 131.7 | 0 | 0 | 113.2 | ||||
| 412 | N | 45.4 | Very low | 53.9 | Low | 161 Ų | 161 | 134.5 Ų | 134.5 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 40.5 | 98.8 | 138.7 | -61 | -26.7 | 0 | 0 | 0 | 117.9 | ||
| 413 | G | 41.9 | Very low | 53.1 | Low | 83 Ų | 83 | 135.7 Ų | 135.7 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | 131.3 | 104.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 414 | G | 38.9 | Very low | 53.3 | Low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | 85.9 | 126 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 415 | V | 45.2 | Very low | 53.7 | Low | 132 Ų | 132 | 140 Ų | 140 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | 78.4 | 91.3 | 160.3 | -159.9 | 0 | 0 | 0 | 0 | 115.6 | V417 | V415-V417 HydrophobicContact CG1-CG2 3.85Å; V415-V417 PolarHBondContact O-N 3.4Å | ||
| 416 | F | 41.9 | Very low | 54.2 | Low | 203 Ų | 203 | 134.1 Ų | 134.1 | 89% | 0.89 | 71% | 0.711 | S | S | * | * | trans | -71.5 | 87.6 | 165.4 | -147.4 | -93.4 | 0 | 0 | 0 | 109.3 | K418 | F416-K418 PolarHBondContact O-N 3.46Š| ||
| 417 | V | 49.6 | Very low | 54.9 | Low | 110 Ų | 110 | 131.9 Ų | 131.9 | 67% | 0.667 | 70% | 0.702 | S | S | * | * | trans | -79.5 | 99.2 | 166.1 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | V415 M419 | V415-V417 HydrophobicContact CG1-CG2 3.85Å; V415-V417 PolarHBondContact O-N 3.4Å; V417-M419 VanDerWaalsContact C-N 3.31Å; V417-M419 PolarHBondContact O-N 2.95Å | ||
| 418 | K | 51 | Low | 55.9 | Low | 147 Ų | 147 | 132.6 Ų | 132.6 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | trans | -65 | 90.8 | 171.5 | -158.1 | -172.6 | -175 | -147.2 | 0 | 107.9 | F416 E420 | F416-K418 PolarHBondContact O-N 3.46Å; K418-E420 IonicContact NZ-OE1 2.8Å; K418-E420 PolarHBondContact NZ-OE1 3.4Å; K418-E420 PolarHBondContact O-N 2.92Å | ||
| 419 | M | 49.2 | Very low | 56.6 | Low | 165 Ų | 165 | 129.5 Ų | 129.5 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | trans | -71.1 | 87.5 | 166.7 | -76.6 | -155.5 | -165.9 | 0 | 0 | 108.1 | V417 T421 | V417-M419 VanDerWaalsContact C-N 3.31Å; V417-M419 PolarHBondContact O-N 2.95Å; M419-T421 PolarHBondContact O-N 3.32Å | ||
| 420 | E | 50.5 | Low | 57.3 | Low | 136 Ų | 136 | 122.8 Ų | 122.8 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | trans | -64.8 | 90.7 | 159.5 | -89.3 | 172.6 | -170.7 | 0 | 0 | 107.7 | K418 T422 | K418-E420 IonicContact NZ-OE1 2.8Å; K418-E420 PolarHBondContact NZ-OE1 3.4Å; K418-E420 PolarHBondContact O-N 2.92Å; E420-T422 VanDerWaalsContact C-N 3.35Å; E420-T422 PolarHBondContact O-N 2.79Å | ||
| 421 | T | 60.9 | Low | 58.1 | Low | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | trans | -65.5 | 103.1 | 160.3 | 29 | 0 | 0 | 0 | 0 | 106.2 | M419 | M419-T421 PolarHBondContact O-N 3.32Š| ||
| 422 | T | 63.2 | Low | 59.1 | Low | 68 Ų | 68 | 120.6 Ų | 120.6 | 42% | 0.417 | 65% | 0.645 | S | S | . | * | trans | -63 | 143.3 | 178.7 | 65.2 | 0 | 0 | 0 | 0 | 108.7 | E420 K424 D425 V426 | E420-T422 VanDerWaalsContact C-N 3.35Å; E420-T422 PolarHBondContact O-N 2.79Å; T422-K424 PolarHBondContact O-N 3.44Å; T422-D425 PolarHBondContact O-N 3.43Å; T422-D425 PolarHBondContact OG1-OD2 3.3Å; T422-V426 PolarHBondContact O-N 2.98Å | ||
| 423 | E | 63.5 | Low | 60.1 | Low | 164 Ų | 164 | 117.3 Ų | 117.3 | 77% | 0.766 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -49.7 | -28.4 | 176.2 | -165.3 | 175 | -167.8 | 0 | 0 | 112 | V426 V427 | E423-V426 PolarHBondContact O-N 3.4Å; E423-V427 WeakPolarHBondContact O-CB 3.45Å; E423-V427 WeakPolarHBondContact O-CG2 3.39Å; E423-V427 PolarHBondContact O-N 3.03Å |
| 424 | K | 73.9 | Confident | 60.7 | Low | 172 Ų | 172 | 116.7 Ų | 116.7 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.4 | -38.5 | 173.5 | -68.9 | -177.5 | 178.3 | 176.7 | 0 | 113.8 | T422 V427 K428 | T422-K424 PolarHBondContact O-N 3.44Å; K424-V427 PolarHBondContact O-N 2.91Å; K424-K428 WeakPolarHBondContact O-CB 3.28Å; K424-K428 PolarHBondContact O-N 2.98Å |
| 425 | D | 71.6 | Confident | 61.4 | Low | 83 Ų | 83 | 118.2 Ų | 118.2 | 44% | 0.444 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.9 | -35.8 | 179 | -71.6 | -40.2 | 0 | 0 | 0 | 111.8 | T422 K428 Q429 | T422-D425 PolarHBondContact O-N 3.43Å; T422-D425 PolarHBondContact OG1-OD2 3.3Å; D425-K428 PolarHBondContact O-N 3.31Å; D425-Q429 PolarHBondContact O-N 3.21Å |
| 426 | V | 69.3 | Low | 61.8 | Low | 50 Ų | 50 | 117.7 Ų | 117.7 | 30% | 0.303 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.1 | -44.7 | 173.1 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | T422 E423 K428 Q429 I430 | T422-V426 PolarHBondContact O-N 2.98Å; E423-V426 PolarHBondContact O-N 3.4Å; V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 PolarHBondContact O-N 2.91Å; V426-Q429 PolarHBondContact O-N 2.97Å; V426-I430 HydrophobicContact CG1-CD1 3.88Å; V426-I430 VanDerWaalsContact O-CG1 3.24Å; V426-I430 WeakPolarHBondContact O-CG1 3.39Å; V426-I430 PolarHBondContact O-N 3.46Å |
| 427 | V | 71.7 | Confident | 62.2 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 53% | 0.527 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.3 | -38.5 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | E423 K424 I430 K431 | E423-V427 WeakPolarHBondContact O-CB 3.45Å; E423-V427 WeakPolarHBondContact O-CG2 3.39Å; E423-V427 PolarHBondContact O-N 3.03Å; K424-V427 PolarHBondContact O-N 2.91Å; V427-I430 PolarHBondContact O-N 3.22Å; V427-K431 WeakPolarHBondContact O-CB 3.38Å; V427-K431 PolarHBondContact O-N 2.93Å |
| 428 | K | 76.5 | Confident | 62.1 | Low | 145 Ų | 145 | 118.3 Ų | 118.3 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -38.3 | 177.8 | -141.2 | 176 | -173.6 | -176.7 | 0 | 112.4 | K424 D425 V426 K431 N432 | K424-K428 WeakPolarHBondContact O-CB 3.28Å; K424-K428 PolarHBondContact O-N 2.98Å; D425-K428 PolarHBondContact O-N 3.31Å; V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 PolarHBondContact O-N 2.91Å; K428-K431 PolarHBondContact O-N 3.01Å; K428-N432 PolarHBondContact O-N 3.27Å |
| 429 | Q | 69.2 | Low | 61.7 | Low | 111 Ų | 111 | 118.1 Ų | 118.1 | 52% | 0.519 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.2 | -41 | 173.4 | -76.7 | -172.3 | 17.7 | 0 | 0 | 112.2 | Y396 D425 V426 K431 N432 I433 | Y396-Q429 PolarHBondContact OH-OE1 2.83Å; Y396-Q429 VanDerWaalsContact OH-OE1 3.07Å; D425-Q429 PolarHBondContact O-N 3.21Å; V426-Q429 PolarHBondContact O-N 2.97Å; Q429-K431 VanDerWaalsContact C-N 3.29Å; Q429-K431 PolarHBondContact O-N 3.08Å; Q429-N432 PolarHBondContact O-N 3.35Å; Q429-I433 WeakPolarHBondContact O-CG1 3.27Å; Q429-I433 PolarHBondContact O-N 2.87Å |
| 430 | I | 68.3 | Low | 61.5 | Low | 55 Ų | 55 | 118 Ų | 118 | 28% | 0.282 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.7 | -39.3 | 175.2 | -68.7 | 167.6 | 0 | 0 | 0 | 110.8 | Y396 F397 V426 V427 N432 I433 L434 | Y396-I430 HydrophobicContact CE1-CG1 4.12Å; F397-I430 HydrophobicContact CZ-CD1 4.49Å; V426-I430 HydrophobicContact CG1-CD1 3.88Å; V426-I430 VanDerWaalsContact O-CG1 3.24Å; V426-I430 WeakPolarHBondContact O-CG1 3.39Å; V426-I430 PolarHBondContact O-N 3.46Å; V427-I430 PolarHBondContact O-N 3.22Å; I430-N432 VanDerWaalsContact C-N 3.26Å; I430-N432 PolarHBondContact O-N 3.4Å; I430-I433 PolarHBondContact O-N 2.9Å; I430-L434 HydrophobicContact CG2-CD1 4Å; I430-L434 PolarHBondContact O-N 3.2Å |
| 431 | K | 70.2 | Confident | 61.4 | Low | 146 Ų | 146 | 120.4 Ų | 120.4 | 64% | 0.635 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.1 | -24.1 | 177.9 | -136.9 | 175.5 | -173.9 | -178.9 | 0 | 114 | V427 K428 Q429 | V427-K431 WeakPolarHBondContact O-CB 3.38Å; V427-K431 PolarHBondContact O-N 2.93Å; K428-K431 PolarHBondContact O-N 3.01Å; Q429-K431 VanDerWaalsContact C-N 3.29Å; Q429-K431 PolarHBondContact O-N 3.08Å |
| 432 | N | 69.6 | Low | 60.6 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 74% | 0.738 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -89.8 | -18.6 | 178 | -73.9 | -9.6 | 0 | 0 | 0 | 113.3 | K428 Q429 I430 | K428-N432 PolarHBondContact O-N 3.27Å; Q429-N432 PolarHBondContact O-N 3.35Å; I430-N432 VanDerWaalsContact C-N 3.26Å; I430-N432 PolarHBondContact O-N 3.4Å |
| 433 | I | 65.6 | Low | 60 | Low | 92 Ų | 92 | 124.2 Ų | 124.2 | 47% | 0.472 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -90.7 | -30.9 | 179.5 | -63.9 | 166.2 | 0 | 0 | 0 | 111 | Y396 Q429 I430 P435 | Y396-I433 HydrophobicContact CD2-CD1 3.64Å; Y396-I433 HydrophobicContact CE1-CD1 4.4Å; Y396-I433 HydrophobicContact CE2-CD1 3.14Å; Y396-I433 HydrophobicContact CG-CD1 4.47Å; Q429-I433 WeakPolarHBondContact O-CG1 3.27Å; Q429-I433 PolarHBondContact O-N 2.87Å; I430-I433 PolarHBondContact O-N 2.9Å; I433-P435 WeakPolarHBondContact O-CD 3.49Å |
| 434 | L | 55.1 | Low | 59.4 | Low | 71 Ų | 71 | 122.6 Ų | 122.6 | 37% | 0.372 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -78 | 116.1 | 166.9 | -86.6 | 91.2 | 0 | 0 | 0 | 109.4 | I430 T436 | I430-L434 HydrophobicContact CG2-CD1 4Å; I430-L434 PolarHBondContact O-N 3.2Å; L434-T436 PolarHBondContact O-N 3.39Å |
| 435 | P | 54.1 | Low | 58.4 | Low | 102 Ų | 102 | 122.5 Ų | 122.5 | 66% | 0.662 | 61% | 0.614 | S | S | * | * | trans | -65.5 | 104.1 | 166.9 | 8 | 4.1 | 0 | 0 | 0 | 107.1 | I433 K437 | I433-P435 WeakPolarHBondContact O-CD 3.49Å; P435-K437 HydrophobicContact CB-CG 4.33Å; P435-K437 PolarHBondContact O-N 3.04Å | ||
| 436 | T | 53.2 | Low | 57.6 | Low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 62% | 0.622 | S | S | * | * | trans | -70 | 65.6 | 163.7 | 41.4 | 0 | 0 | 0 | 0 | 108.3 | L434 | L434-T436 PolarHBondContact O-N 3.39Š| ||
| 437 | K | 49.7 | Very low | 56.9 | Low | 173 Ų | 173 | 125.5 Ų | 125.5 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | trans | -92.3 | 98.7 | 165.5 | -71.3 | -173.9 | 178.1 | -178.2 | 0 | 106.9 | P435 L439 | P435-K437 HydrophobicContact CB-CG 4.33Å; P435-K437 PolarHBondContact O-N 3.04Å; K437-L439 PolarHBondContact O-N 3.12Å | ||
| 438 | D | 47.4 | Very low | 55.8 | Low | 153 Ų | 153 | 128.3 Ų | 128.3 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | trans | 52.3 | 61.3 | 149.4 | -47.2 | -34 | 0 | 0 | 0 | 116.1 | ||||
| 439 | L | 43.8 | Very low | 54.8 | Low | 144 Ų | 144 | 125.9 Ų | 125.9 | 75% | 0.754 | 63% | 0.63 | S | S | * | * | trans | -93.6 | 83.6 | 150.9 | -83.9 | 162.5 | 0 | 0 | 0 | 107.1 | K437 Y441 | K437-L439 PolarHBondContact O-N 3.12Å; L439-Y441 HydrophobicContact CB-CD2 4.03Å; L439-Y441 HydrophobicContact CB-CE2 4.18Å; L439-Y441 HydrophobicContact CD1-CE2 4.4Å; L439-Y441 HydrophobicContact CD2-CE2 4.46Å; L439-Y441 PolarHBondContact O-N 3.21Å | ||
| 440 | H | 44.6 | Very low | 54.3 | Low | 162 Ų | 162 | 126.8 Ų | 126.8 | 75% | 0.75 | 63% | 0.634 | S | S | * | * | trans | -61.7 | 91.3 | 161.7 | -124.5 | -53.2 | 0 | 0 | 0 | 106.9 | E442 | H440-E442 WeakPolarHBondContact ND1-CG 3.46Å; H440-E442 PolarHBondContact O-N 2.97Å; H440-E442 VanDerWaalsContact O-N 3.14Å | ||
| 441 | Y | 47.3 | Very low | 53.9 | Low | 187 Ų | 187 | 130.7 Ų | 130.7 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | trans | -78.7 | 74 | 163.2 | -91.9 | -90.6 | 0 | 0 | 0 | 106.9 | L439 | L439-Y441 HydrophobicContact CB-CD2 4.03Å; L439-Y441 HydrophobicContact CB-CE2 4.18Å; L439-Y441 HydrophobicContact CD1-CE2 4.4Å; L439-Y441 HydrophobicContact CD2-CE2 4.46Å; L439-Y441 PolarHBondContact O-N 3.21Å | ||
| 442 | E | 44.8 | Very low | 53.7 | Low | 129 Ų | 129 | 127.4 Ų | 127.4 | 60% | 0.603 | 64% | 0.635 | S | S | * | * | trans | -110.7 | 116.3 | 162.5 | -66.1 | -87.2 | 157.5 | 0 | 0 | 106 | H440 | H440-E442 WeakPolarHBondContact ND1-CG 3.46Å; H440-E442 PolarHBondContact O-N 2.97Å; H440-E442 VanDerWaalsContact O-N 3.14Å | ||
| 443 | D | 51.6 | Low | 53.8 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 66% | 0.658 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 77.3 | 20.2 | 153.1 | -58.2 | -19.8 | 0 | 0 | 0 | 123.1 | E445 N446 | D443-E445 PolarHBondContact O-N 2.98Å; D443-N446 PolarHBondContact O-N 3.44Å |
| 444 | D | 50.8 | Low | 54.3 | Low | 130 Ų | 130 | 128.4 Ų | 128.4 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.2 | -10.9 | 178.4 | -89.8 | -16.4 | 0 | 0 | 0 | 116.2 | N446 T447 F448 | D444-N446 VanDerWaalsContact C-N 3.35Å; D444-T447 WeakPolarHBondContact CA-OG1 3.45Å; D444-T447 PolarHBondContact O-OG1 3.45Å; D444-T447 PolarHBondContact OD1-OG1 3.23Å; D444-F448 PolarHBondContact O-N 3.36Å |
| 445 | E | 52.1 | Low | 55.1 | Low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.4 | -24.6 | 174.2 | -79.8 | -164.1 | 157.6 | 0 | 0 | 112.8 | D443 N449 | D443-E445 PolarHBondContact O-N 2.98Å; E445-N449 PolarHBondContact O-ND2 3.1Å |
| 446 | N | 54.7 | Low | 56.1 | Low | 115 Ų | 115 | 129.9 Ų | 129.9 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.4 | -31.2 | 177 | -103.3 | -5.9 | 0 | 0 | 0 | 113.1 | D443 D444 H450 | D443-N446 PolarHBondContact O-N 3.44Å; D444-N446 VanDerWaalsContact C-N 3.35Å; N446-H450 PolarHBondContact O-N 2.92Å; N446-H450 VanDerWaalsContact O-N 3.11Å |
| 447 | T | 54.6 | Low | 57.3 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.1 | -30.4 | 175.8 | 29.5 | 0 | 0 | 0 | 0 | 112.4 | D444 R451 | D444-T447 WeakPolarHBondContact CA-OG1 3.45Å; D444-T447 PolarHBondContact O-OG1 3.45Å; D444-T447 PolarHBondContact OD1-OG1 3.23Å; T447-R451 WeakPolarHBondContact O-CB 3.49Å; T447-R451 PolarHBondContact O-N 3.5Å; T447-R451 VanDerWaalsContact O-N 3.12Å |
| 448 | F | 47.8 | Very low | 58.6 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.9 | -40 | 175.8 | -166.5 | -100.2 | 0 | 0 | 0 | 112.5 | D444 N452 | D444-F448 PolarHBondContact O-N 3.36Å; F448-N452 PolarHBondContact O-N 2.85Å |
| 449 | N | 55.6 | Low | 59.8 | Low | 94 Ų | 94 | 122.8 Ų | 122.8 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.5 | -42.8 | 177.3 | -73 | -31.8 | 0 | 0 | 0 | 112.3 | E445 R451 N452 E453 | E445-N449 PolarHBondContact O-ND2 3.1Å; N449-R451 VanDerWaalsContact C-N 3.33Å; N449-R451 PolarHBondContact O-N 3.2Å; N449-N452 PolarHBondContact O-N 3.3Å; N449-E453 PolarHBondContact O-N 2.98Å; N449-E453 VanDerWaalsContact O-N 3.08Å |
| 450 | H | 58.9 | Low | 61.7 | Low | 130 Ų | 130 | 122.5 Ų | 122.5 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.2 | -31.1 | 176 | -91.3 | -31.4 | 0 | 0 | 0 | 113.9 | N446 E453 K454 | N446-H450 PolarHBondContact O-N 2.92Å; N446-H450 VanDerWaalsContact O-N 3.11Å; H450-E453 IonicContact ND1-OE2 3.6Å; H450-K454 WeakPolarHBondContact O-CB 3.5Å; H450-K454 PolarHBondContact O-N 3.27Å |
| 451 | R | 60.3 | Low | 63.3 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 52% | 0.517 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.9 | -35.6 | 175.6 | -132.4 | 172.1 | -167.7 | -155.8 | -3.3 | 111.9 | E375 T447 N449 N455 | E375-R451 IonicContact OE1-CZ 2.79Å; E375-R451 IonicContact OE1-NH1 3.95Å; E375-R451 PolarHBondContact OE1-NH1 3.48Å; E375-R451 IonicContact OE1-NH2 2.66Å; T447-R451 WeakPolarHBondContact O-CB 3.49Å; T447-R451 PolarHBondContact O-N 3.5Å; T447-R451 VanDerWaalsContact O-N 3.12Å; N449-R451 VanDerWaalsContact C-N 3.33Å; N449-R451 PolarHBondContact O-N 3.2Å; R451-N455 VanDerWaalsContact O-CB 3.32Å; R451-N455 WeakPolarHBondContact O-CB 3.37Å; R451-N455 PolarHBondContact O-N 3.4Å; R451-N455 PolarHBondContact O-ND2 2.97Å |
| 452 | N | 67 | Low | 64.5 | Low | 78 Ų | 78 | 115 Ų | 115 | 42% | 0.417 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.6 | -40.2 | 177.2 | -160.3 | 11.5 | 0 | 0 | 0 | 111.4 | F448 N449 N455 Q456 | F448-N452 PolarHBondContact O-N 2.85Å; N449-N452 PolarHBondContact O-N 3.3Å; N452-N455 PolarHBondContact O-N 2.69Å; N452-Q456 WeakPolarHBondContact O-CB 3.39Å; N452-Q456 VanDerWaalsContact O-CG 3.29Å; N452-Q456 WeakPolarHBondContact O-CG 3.23Å; N452-Q456 PolarHBondContact O-N 2.86Å; N452-Q456 PolarHBondContact OD1-NE2 3.4Å |
| 453 | E | 70.9 | Confident | 65.8 | Low | 117 Ų | 117 | 115 Ų | 115 | 55% | 0.547 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.4 | -39.8 | 173.9 | -73.9 | -177.7 | 159.6 | 0 | 0 | 113 | N449 H450 Q456 S457 | N449-E453 PolarHBondContact O-N 2.98Å; N449-E453 VanDerWaalsContact O-N 3.08Å; H450-E453 IonicContact ND1-OE2 3.6Å; E453-Q456 PolarHBondContact O-N 3.49Å; E453-S457 VanDerWaalsContact O-CB 3.32Å; E453-S457 WeakPolarHBondContact O-CB 3.49Å; E453-S457 PolarHBondContact O-N 3.24Å; E453-S457 PolarHBondContact O-OG 2.91Å |
| 454 | K | 75.6 | Confident | 66.8 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 58% | 0.578 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -43.7 | 175.6 | -170.9 | 176.6 | 179.8 | -178.8 | 0 | 111.7 | H450 S457 E458 | H450-K454 WeakPolarHBondContact O-CB 3.5Å; H450-K454 PolarHBondContact O-N 3.27Å; K454-S457 PolarHBondContact O-N 3.47Å; K454-E458 PolarHBondContact O-N 3.07Å |
| 455 | N | 72.4 | Confident | 67.7 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.9 | -37.6 | 177.1 | -71.1 | -12.5 | 0 | 0 | 0 | 112.1 | R451 N452 M459 | R451-N455 VanDerWaalsContact O-CB 3.32Å; R451-N455 WeakPolarHBondContact O-CB 3.37Å; R451-N455 PolarHBondContact O-N 3.4Å; R451-N455 PolarHBondContact O-ND2 2.97Å; N452-N455 PolarHBondContact O-N 2.69Å; N455-M459 WeakPolarHBondContact O-CB 3.44Å; N455-M459 PolarHBondContact O-N 2.99Å |
| 456 | Q | 75.6 | Confident | 68.3 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 173.4 | -76.4 | -177.9 | 34.5 | 0 | 0 | 112 | N452 E453 M459 K460 | N452-Q456 WeakPolarHBondContact O-CB 3.39Å; N452-Q456 VanDerWaalsContact O-CG 3.29Å; N452-Q456 WeakPolarHBondContact O-CG 3.23Å; N452-Q456 PolarHBondContact O-N 2.86Å; N452-Q456 PolarHBondContact OD1-NE2 3.4Å; E453-Q456 PolarHBondContact O-N 3.49Å; Q456-M459 PolarHBondContact O-N 3.39Å; Q456-K460 WeakPolarHBondContact O-CB 3.31Å; Q456-K460 PolarHBondContact O-N 3.39Å |
| 457 | S | 77.4 | Confident | 68.6 | Low | 75 Ų | 75 | 116.1 Ų | 116.1 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -42.3 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | E453 K454 K460 N461 | E453-S457 VanDerWaalsContact O-CB 3.32Å; E453-S457 WeakPolarHBondContact O-CB 3.49Å; E453-S457 PolarHBondContact O-N 3.24Å; E453-S457 PolarHBondContact O-OG 2.91Å; K454-S457 PolarHBondContact O-N 3.47Å; S457-K460 PolarHBondContact O-N 3.28Å; S457-N461 WeakPolarHBondContact O-CB 3.14Å; S457-N461 PolarHBondContact O-N 3.15Å |
| 458 | E | 77.2 | Confident | 68.6 | Low | 102 Ų | 102 | 121.3 Ų | 121.3 | 48% | 0.477 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.9 | -41.5 | 173.2 | -82.4 | -178.3 | -173.5 | 0 | 0 | 112.2 | K454 K460 N461 I462 | K454-E458 PolarHBondContact O-N 3.07Å; E458-K460 VanDerWaalsContact C-N 3.32Å; E458-K460 PolarHBondContact O-N 2.91Å; E458-N461 PolarHBondContact O-N 2.96Å; E458-I462 VanDerWaalsContact O-CG1 3.29Å; E458-I462 WeakPolarHBondContact O-CG1 3.43Å; E458-I462 PolarHBondContact O-N 3.48Å |
| 459 | M | 73.2 | Confident | 68.9 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 60% | 0.596 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.6 | -38.3 | 175.8 | -125.1 | -146.9 | -61.5 | 0 | 0 | 112.2 | N455 Q456 Q463 | N455-M459 WeakPolarHBondContact O-CB 3.44Å; N455-M459 PolarHBondContact O-N 2.99Å; Q456-M459 PolarHBondContact O-N 3.39Å; M459-Q463 PolarHBondContact O-N 3.02Å |
| 460 | K | 82.9 | Confident | 68.2 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.9 | -43.3 | 174.6 | -128.8 | 179.3 | -178.9 | -176.8 | 0 | 111.4 | Q456 S457 E458 I462 Q463 E464 | Q456-K460 WeakPolarHBondContact O-CB 3.31Å; Q456-K460 PolarHBondContact O-N 3.39Å; S457-K460 PolarHBondContact O-N 3.28Å; E458-K460 VanDerWaalsContact C-N 3.32Å; E458-K460 PolarHBondContact O-N 2.91Å; K460-I462 PolarHBondContact O-N 3.36Å; K460-Q463 PolarHBondContact O-N 2.87Å; K460-E464 WeakPolarHBondContact O-CG 3.27Å; K460-E464 PolarHBondContact O-N 2.92Å |
| 461 | N | 79.3 | Confident | 67.6 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 52% | 0.524 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.1 | -37.2 | 179 | -136.9 | -8.1 | 0 | 0 | 0 | 112 | S457 E458 E464 Q465 | S457-N461 WeakPolarHBondContact O-CB 3.14Å; S457-N461 PolarHBondContact O-N 3.15Å; E458-N461 PolarHBondContact O-N 2.96Å; N461-E464 PolarHBondContact O-N 3.47Å; N461-Q465 WeakPolarHBondContact O-CB 3.38Å; N461-Q465 PolarHBondContact O-N 3.11Å |
| 462 | I | 71.8 | Confident | 67 | Low | 93 Ų | 93 | 120.9 Ų | 120.9 | 48% | 0.477 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68 | -39.8 | 173.2 | -67.4 | 165.8 | 0 | 0 | 0 | 111 | E458 K460 E464 N466 | E458-I462 VanDerWaalsContact O-CG1 3.29Å; E458-I462 WeakPolarHBondContact O-CG1 3.43Å; E458-I462 PolarHBondContact O-N 3.48Å; K460-I462 PolarHBondContact O-N 3.36Å; I462-E464 VanDerWaalsContact C-N 3.34Å; I462-N466 WeakPolarHBondContact O-CB 3.34Å; I462-N466 PolarHBondContact O-N 3.38Å; I462-N466 PolarHBondContact O-ND2 3.41Å; I462-N466 VanDerWaalsContact O-ND2 3.09Å |
| 463 | Q | 71.5 | Confident | 65.8 | Low | 128 Ų | 128 | 125.1 Ų | 125.1 | 60% | 0.598 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.8 | -36 | 172.9 | -84.6 | -175.2 | -9 | 0 | 0 | 112.7 | M459 K460 R467 | M459-Q463 PolarHBondContact O-N 3.02Å; K460-Q463 PolarHBondContact O-N 2.87Å; Q463-R467 PolarHBondContact O-N 3.48Å |
| 464 | E | 74.2 | Confident | 64.7 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 50% | 0.5 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.9 | -41.2 | 176.8 | -76.6 | 177.9 | -177.6 | 0 | 0 | 112.5 | K460 N461 I462 N466 R467 F468 | K460-E464 WeakPolarHBondContact O-CG 3.27Å; K460-E464 PolarHBondContact O-N 2.92Å; N461-E464 PolarHBondContact O-N 3.47Å; I462-E464 VanDerWaalsContact C-N 3.34Å; E464-N466 VanDerWaalsContact C-N 3.27Å; E464-N466 PolarHBondContact O-N 2.85Å; E464-R467 PolarHBondContact O-N 3.48Å; E464-R467 VanDerWaalsContact O-N 3.1Å; E464-F468 PolarHBondContact O-N 3.37Å; E464-F468 VanDerWaalsContact O-N 3.1Å |
| 465 | Q | 68.2 | Low | 62.8 | Low | 130 Ų | 130 | 124.3 Ų | 124.3 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.2 | -36.4 | 171.3 | -81.8 | -172.2 | -22.5 | 0 | 0 | 112.2 | N461 F468 N469 | N461-Q465 WeakPolarHBondContact O-CB 3.38Å; N461-Q465 PolarHBondContact O-N 3.11Å; Q465-F468 PolarHBondContact O-N 3.22Å; Q465-N469 PolarHBondContact O-N 3.33Å |
| 466 | N | 65.3 | Low | 61.7 | Low | 111 Ų | 111 | 130 Ų | 130 | 59% | 0.594 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.3 | -24 | 175.2 | -70.9 | -27.4 | 0 | 0 | 0 | 113 | I462 E464 | I462-N466 WeakPolarHBondContact O-CB 3.34Å; I462-N466 PolarHBondContact O-N 3.38Å; I462-N466 PolarHBondContact O-ND2 3.41Å; I462-N466 VanDerWaalsContact O-ND2 3.09Å; E464-N466 VanDerWaalsContact C-N 3.27Å; E464-N466 PolarHBondContact O-N 2.85Å |
| 467 | R | 60.8 | Low | 60.8 | Low | 215 Ų | 215 | 130 Ų | 130 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75 | -30.3 | 171.7 | -90 | -174.9 | 173.1 | 178.4 | -1.4 | 113.1 | Q463 E464 | Q463-R467 PolarHBondContact O-N 3.48Å; E464-R467 PolarHBondContact O-N 3.48Å; E464-R467 VanDerWaalsContact O-N 3.1Å |
| 468 | F | 55.5 | Low | 59.2 | Low | 191 Ų | 191 | 136.2 Ų | 136.2 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -84 | -13.9 | -179 | -105.1 | -85.4 | 0 | 0 | 0 | 114.8 | E464 Q465 | E464-F468 PolarHBondContact O-N 3.37Å; E464-F468 VanDerWaalsContact O-N 3.1Å; Q465-F468 PolarHBondContact O-N 3.22Å |
| 469 | N | 53.3 | Low | 58 | Low | 128 Ų | 128 | 135.8 Ų | 135.8 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 21.1 | 176.1 | -77 | -20.6 | 0 | 0 | 0 | 114 | Q465 Q471 | Q465-N469 PolarHBondContact O-N 3.33Å; N469-Q471 PolarHBondContact O-N 2.91Å |
| 470 | G | 41.7 | Very low | 57.4 | Low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | trans | -71.7 | 23.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 471 | Q | 46.4 | Very low | 56.4 | Low | 194 Ų | 194 | 136.1 Ų | 136.1 | 91% | 0.907 | 70% | 0.703 | S | S | * | * | trans | -135 | 71.9 | 173.5 | -79.6 | -174.1 | -31.5 | 0 | 0 | 110.8 | N469 | N469-Q471 PolarHBondContact O-N 2.91Š| ||
| 472 | S | 47.1 | Very low | 55.4 | Low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -156.8 | 107.5 | 149.6 | 39.2 | 0 | 0 | 0 | 0 | 109.8 | L474 | S472-L474 PolarHBondContact O-N 3.27Å; S472-L474 VanDerWaalsContact O-N 3.11Å | ||
| 473 | D | 40.8 | Very low | 54.7 | Low | 167 Ų | 167 | 138.2 Ų | 138.2 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | trans | -73.2 | 83.4 | 178.6 | -172.2 | 18.7 | 0 | 0 | 0 | 110 | ||||
| 474 | L | 48.1 | Very low | 54.4 | Low | 152 Ų | 152 | 134.6 Ų | 134.6 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | trans | -148.1 | 105.7 | 166.7 | -84.5 | 176.7 | 0 | 0 | 0 | 109.9 | S472 Y476 | S472-L474 PolarHBondContact O-N 3.27Å; S472-L474 VanDerWaalsContact O-N 3.11Å; L474-Y476 PolarHBondContact O-N 3.14Å | ||
| 475 | G | 36 | Very low | 54.2 | Low | 81 Ų | 81 | 133.6 Ų | 133.6 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | trans | -62.9 | 119 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 476 | Y | 50.4 | Low | 54.3 | Low | 211 Ų | 211 | 131.9 Ų | 131.9 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | trans | -126.6 | 133.5 | 157.2 | -86.2 | -85.2 | 0 | 0 | 0 | 109.1 | L474 F478 | L474-Y476 PolarHBondContact O-N 3.14Å; Y476-F478 PolarHBondContact O-N 3.5Å | ||
| 477 | P | 56.3 | Low | 54.5 | Low | 112 Ų | 112 | 131.7 Ų | 131.7 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.6 | -179.6 | 30.6 | -32.5 | 0 | 0 | 0 | 109.5 | L479 | P477-L479 PolarHBondContact O-N 3.37Š|
| 478 | F | 44 | Very low | 55 | Low | 207 Ų | 207 | 124.3 Ų | 124.3 | 91% | 0.908 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 117.3 | 171.7 | -130.6 | -96.1 | 0 | 0 | 0 | 109.1 | Y476 T480 | Y476-F478 PolarHBondContact O-N 3.5Å; F478-T480 PolarHBondContact O-N 3.48Å |
| 479 | L | 50.4 | Low | 55.9 | Low | 92 Ų | 92 | 119.7 Ų | 119.7 | 48% | 0.482 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 133.3 | 178 | -69.4 | 169.6 | 0 | 0 | 0 | 109.6 | P477 Q483 M487 | P477-L479 PolarHBondContact O-N 3.37Å; L479-Q483 VanDerWaalsContact CA-OE1 3.27Å; L479-Q483 HydrophobicContact CB-CB 4.23Å; L479-Q483 HydrophobicContact CD2-CB 4.02Å; L479-Q483 VanDerWaalsContact CD2-CD 3.42Å; L479-Q483 HydrophobicContact CD2-CG 4.26Å; L479-M487 HydrophobicContact CD1-CE 3.89Å |
| 480 | T | 61.9 | Low | 57 | Low | 85 Ų | 85 | 117.9 Ų | 117.9 | 52% | 0.521 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 155.2 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | F478 Q482 Q483 T484 | F478-T480 PolarHBondContact O-N 3.48Å; T480-Q482 PolarHBondContact O-N 3.04Å; T480-Q483 PolarHBondContact O-N 3.31Å; T480-Q483 PolarHBondContact OG1-OE1 2.94Å; T480-T484 PolarHBondContact O-N 2.92Å |
| 481 | K | 62.4 | Low | 58.6 | Low | 181 Ų | 181 | 116.7 Ų | 116.7 | 79% | 0.787 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -52 | -17.8 | 175.6 | -73.8 | -175.8 | 176.1 | -176.7 | 0 | 114.3 | T484 N485 | K481-T484 WeakPolarHBondContact CA-OG1 3.28Å; K481-T484 PolarHBondContact O-OG1 3.33Å; K481-N485 PolarHBondContact O-OD1 2.96Å |
| 482 | Q | 56.9 | Low | 59.9 | Low | 148 Ų | 148 | 113 Ų | 113 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.6 | -34.8 | 176.2 | -164.4 | 155.9 | -0.7 | 0 | 0 | 112.3 | T480 N485 D486 | T480-Q482 PolarHBondContact O-N 3.04Å; Q482-N485 PolarHBondContact O-N 3.12Å; Q482-D486 PolarHBondContact O-N 3.37Å |
| 483 | Q | 58.3 | Low | 60.9 | Low | 87 Ų | 87 | 112.9 Ų | 112.9 | 41% | 0.407 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.9 | -28.1 | 177 | -71.4 | 167.4 | -42.4 | 0 | 0 | 112.5 | L479 T480 M487 | L479-Q483 VanDerWaalsContact CA-OE1 3.27Å; L479-Q483 HydrophobicContact CB-CB 4.23Å; L479-Q483 HydrophobicContact CD2-CB 4.02Å; L479-Q483 VanDerWaalsContact CD2-CD 3.42Å; L479-Q483 HydrophobicContact CD2-CG 4.26Å; T480-Q483 PolarHBondContact O-N 3.31Å; T480-Q483 PolarHBondContact OG1-OE1 2.94Å; Q483-M487 PolarHBondContact O-N 3.22Å; Q483-M487 VanDerWaalsContact O-N 3.16Å |
| 484 | T | 63.7 | Low | 62.2 | Low | 53 Ų | 53 | 110.8 Ų | 110.8 | 33% | 0.325 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67 | -43.2 | 172.1 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | T480 K481 D486 M487 E488 | T480-T484 PolarHBondContact O-N 2.92Å; K481-T484 WeakPolarHBondContact CA-OG1 3.28Å; K481-T484 PolarHBondContact O-OG1 3.33Å; T484-D486 VanDerWaalsContact C-N 3.34Å; T484-D486 PolarHBondContact O-N 3.44Å; T484-M487 PolarHBondContact O-N 3.43Å; T484-E488 WeakPolarHBondContact O-CG 3.35Å; T484-E488 PolarHBondContact O-N 3Å |
| 485 | N | 71.3 | Confident | 63.5 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 177.9 | -67.1 | -1.2 | 0 | 0 | 0 | 112.5 | K481 Q482 N489 | K481-N485 PolarHBondContact O-OD1 2.96Å; Q482-N485 PolarHBondContact O-N 3.12Å; N485-N489 WeakPolarHBondContact O-CB 3.2Å; N485-N489 PolarHBondContact O-N 3.14Å; N485-N489 PolarHBondContact O-ND2 3.2Å |
| 486 | D | 69.7 | Low | 65.2 | Low | 95 Ų | 95 | 109.2 Ų | 109.2 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 176 | -76.9 | -16 | 0 | 0 | 0 | 112.3 | Q482 T484 K490 | Q482-D486 PolarHBondContact O-N 3.37Å; T484-D486 VanDerWaalsContact C-N 3.34Å; T484-D486 PolarHBondContact O-N 3.44Å; D486-K490 WeakPolarHBondContact O-CB 3.47Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 VanDerWaalsContact O-N 3.1Å |
| 487 | M | 69.8 | Low | 66.2 | Low | 106 Ų | 106 | 103.6 Ų | 103.6 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 173.4 | -75 | -165.3 | -64.3 | 0 | 0 | 112.3 | L479 Q483 T484 N489 K490 V491 | L479-M487 HydrophobicContact CD1-CE 3.89Å; Q483-M487 PolarHBondContact O-N 3.22Å; Q483-M487 VanDerWaalsContact O-N 3.16Å; T484-M487 PolarHBondContact O-N 3.43Å; M487-N489 VanDerWaalsContact C-N 3.35Å; M487-N489 PolarHBondContact O-N 2.86Å; M487-K490 PolarHBondContact O-N 3.05Å; M487-K490 VanDerWaalsContact O-N 3.16Å; M487-V491 WeakPolarHBondContact O-CG2 3.48Å; M487-V491 PolarHBondContact O-N 3.27Å |
| 488 | E | 70.2 | Confident | 67 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 29% | 0.285 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.1 | -74.2 | 179.6 | 179.2 | 0 | 0 | 112 | M369 T484 K490 V491 R492 | M369-E488 HydrophobicContact CE-CB 4.04Å; M369-E488 HydrophobicContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-CG 3.42Å; M369-E488 VanDerWaalsContact CE-OE1 3.24Å; M369-E488 WeakPolarHBondContact CE-OE1 3.12Å; M369-E488 WeakPolarHBondContact CE-OE2 3.3Å; M369-E488 HydrophobicContact SD-CG 3.6Å; T484-E488 WeakPolarHBondContact O-CG 3.35Å; T484-E488 PolarHBondContact O-N 3Å; E488-K490 VanDerWaalsContact C-N 3.31Å; E488-K490 PolarHBondContact O-N 3.48Å; E488-V491 PolarHBondContact O-N 3.48Å; E488-R492 PolarHBondContact O-N 3.16Å |
| 489 | N | 75.2 | Confident | 68.3 | Low | 94 Ų | 94 | 98 Ų | 98 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 174.6 | -76.5 | -28.9 | 0 | 0 | 0 | 112.1 | N485 M487 F493 | N485-N489 WeakPolarHBondContact O-CB 3.2Å; N485-N489 PolarHBondContact O-N 3.14Å; N485-N489 PolarHBondContact O-ND2 3.2Å; M487-N489 VanDerWaalsContact C-N 3.35Å; M487-N489 PolarHBondContact O-N 2.86Å; N489-F493 WeakPolarHBondContact O-CB 3.42Å; N489-F493 PolarHBondContact O-N 3.41Å |
| 490 | K | 76.7 | Confident | 69.2 | Low | 90 Ų | 90 | 98.3 Ų | 98.3 | 39% | 0.391 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 177.8 | -156.1 | 170.2 | -173.4 | 172.7 | 0 | 112.3 | D161 D486 M487 E488 F493 Q494 | D161-K490 IonicContact OD1-NZ 2.72Å; D161-K490 PolarHBondContact OD1-NZ 3.4Å; D161-K490 WeakPolarHBondContact OD2-CE 3.45Å; D161-K490 IonicContact OD2-NZ 3.9Å; D161-K490 PolarHBondContact OD2-NZ 3.08Å; D486-K490 WeakPolarHBondContact O-CB 3.47Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 VanDerWaalsContact O-N 3.1Å; M487-K490 PolarHBondContact O-N 3.05Å; M487-K490 VanDerWaalsContact O-N 3.16Å; E488-K490 VanDerWaalsContact C-N 3.31Å; E488-K490 PolarHBondContact O-N 3.48Å; K490-F493 PolarHBondContact O-N 3.38Å; K490-Q494 PolarHBondContact O-N 3.47Å; K490-Q494 VanDerWaalsContact O-N 3.14Å |
| 491 | V | 75.4 | Confident | 69.6 | Low | 42 Ų | 42 | 99.1 Ų | 99.1 | 26% | 0.255 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -45.8 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | Y362 M487 E488 F493 Q494 E495 | Y362-V491 WeakPolarHBondContact OH-CG1 3.34Å; M487-V491 WeakPolarHBondContact O-CG2 3.48Å; M487-V491 PolarHBondContact O-N 3.27Å; E488-V491 PolarHBondContact O-N 3.48Å; V491-F493 VanDerWaalsContact C-N 3.27Å; V491-F493 PolarHBondContact O-N 3.25Å; V491-Q494 PolarHBondContact O-N 2.94Å; V491-Q494 VanDerWaalsContact O-N 3.15Å; V491-E495 PolarHBondContact O-N 3.31Å |
| 492 | R | 72.7 | Confident | 70 | Confident | 115 Ų | 115 | 95.2 Ų | 95.2 | 43% | 0.434 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -36.1 | 175.1 | -75.9 | -170.2 | -170.5 | 172.2 | 8.5 | 112.4 | E373 E488 N496 | E373-R492 VanDerWaalsContact CD-NH2 3.33Å; E373-R492 IonicContact OE1-CZ 2.86Å; E373-R492 IonicContact OE1-NE 3.93Å; E373-R492 IonicContact OE1-NH2 2.73Å; E373-R492 PolarHBondContact OE1-NH2 3.36Å; E373-R492 IonicContact OE2-NH2 3.09Å; E488-R492 PolarHBondContact O-N 3.16Å; R492-N496 WeakPolarHBondContact O-CB 3.36Å; R492-N496 PolarHBondContact O-N 3.4Å; R492-N496 PolarHBondContact O-ND2 3.13Å |
| 493 | F | 68.2 | Low | 70.8 | Confident | 107 Ų | 107 | 94.5 Ų | 94.5 | 47% | 0.469 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 176.3 | -133.9 | -87.6 | 0 | 0 | 0 | 112.2 | N489 K490 V491 L497 | N489-F493 WeakPolarHBondContact O-CB 3.42Å; N489-F493 PolarHBondContact O-N 3.41Å; K490-F493 PolarHBondContact O-N 3.38Å; V491-F493 VanDerWaalsContact C-N 3.27Å; V491-F493 PolarHBondContact O-N 3.25Å; F493-L497 HydrophobicContact CD1-CD1 4.28Å; F493-L497 WeakPolarHBondContact O-CG 3.49Å; F493-L497 PolarHBondContact O-N 2.81Å; F493-L497 VanDerWaalsContact O-N 3.13Å |
| 494 | Q | 69.2 | Low | 71.3 | Confident | 122 Ų | 122 | 95 Ų | 95 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.1 | -38.8 | 174.6 | -80.7 | -167.6 | -6.4 | 0 | 0 | 113.1 | K490 V491 N496 L497 K498 | K490-Q494 PolarHBondContact O-N 3.47Å; K490-Q494 VanDerWaalsContact O-N 3.14Å; V491-Q494 PolarHBondContact O-N 2.94Å; V491-Q494 VanDerWaalsContact O-N 3.15Å; Q494-N496 VanDerWaalsContact C-N 3.35Å; Q494-L497 PolarHBondContact O-N 2.98Å; Q494-K498 PolarHBondContact O-N 3.47Å |
| 495 | E | 74.2 | Confident | 71.7 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 43% | 0.425 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 176 | -74.1 | -175.2 | 158 | 0 | 0 | 111.7 | K366 V491 K498 A499 | K366-E495 WeakPolarHBondContact CE-OE1 3.33Å; K366-E495 IonicContact NZ-OE1 3.56Å; K366-E495 PolarHBondContact NZ-OE1 3.28Å; V491-E495 PolarHBondContact O-N 3.31Å; E495-K498 PolarHBondContact O-N 3.32Å; E495-A499 WeakPolarHBondContact O-CB 2.91Å; E495-A499 PolarHBondContact O-N 3.41Å |
| 496 | N | 72.2 | Confident | 71.9 | Confident | 109 Ų | 109 | 96.3 Ų | 96.3 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.4 | -33.6 | 174.6 | -77.5 | -21.6 | 0 | 0 | 0 | 113.5 | R492 Q494 N500 | R492-N496 WeakPolarHBondContact O-CB 3.36Å; R492-N496 PolarHBondContact O-N 3.4Å; R492-N496 PolarHBondContact O-ND2 3.13Å; Q494-N496 VanDerWaalsContact C-N 3.35Å; N496-N500 PolarHBondContact O-N 3.32Å |
| 497 | L | 70.7 | Confident | 72.2 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 173.7 | -75.3 | 168.1 | 0 | 0 | 0 | 111.3 | F493 Q494 N500 D501 | F493-L497 HydrophobicContact CD1-CD1 4.28Å; F493-L497 WeakPolarHBondContact O-CG 3.49Å; F493-L497 PolarHBondContact O-N 2.81Å; F493-L497 VanDerWaalsContact O-N 3.13Å; Q494-L497 PolarHBondContact O-N 2.98Å; L497-N500 PolarHBondContact O-N 2.9Å; L497-D501 PolarHBondContact O-N 3.07Å |
| 498 | K | 73.4 | Confident | 72.7 | Confident | 147 Ų | 147 | 100.2 Ų | 100.2 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 178.3 | -155.5 | 174.3 | -174.2 | -177.8 | 0 | 112.4 | Q494 E495 N500 D501 D502 | Q494-K498 PolarHBondContact O-N 3.47Å; E495-K498 PolarHBondContact O-N 3.32Å; K498-N500 VanDerWaalsContact C-N 3.33Å; K498-N500 PolarHBondContact O-N 3.24Å; K498-D501 PolarHBondContact O-N 3.18Å; K498-D502 PolarHBondContact O-N 2.93Å |
| 499 | A | 72.7 | Confident | 72.8 | Confident | 56 Ų | 56 | 102.5 Ų | 102.5 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E495 F503 | E495-A499 WeakPolarHBondContact O-CB 2.91Å; E495-A499 PolarHBondContact O-N 3.41Å; A499-F503 WeakPolarHBondContact O-CB 3.48Å; A499-F503 PolarHBondContact O-N 2.93Å |
| 500 | N | 68.2 | Low | 73 | Confident | 97 Ų | 97 | 103.2 Ų | 103.2 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.4 | -36.4 | 175.7 | -88.2 | -25.5 | 0 | 0 | 0 | 112.9 | N496 L497 K498 F503 N504 | N496-N500 PolarHBondContact O-N 3.32Å; L497-N500 PolarHBondContact O-N 2.9Å; K498-N500 VanDerWaalsContact C-N 3.33Å; K498-N500 PolarHBondContact O-N 3.24Å; N500-F503 PolarHBondContact O-N 3.18Å; N500-N504 WeakPolarHBondContact O-CB 3.22Å; N500-N504 PolarHBondContact O-N 3.32Å; N500-N504 PolarHBondContact O-ND2 3.48Å |
| 501 | D | 71.3 | Confident | 72.8 | Confident | 103 Ų | 103 | 109.2 Ų | 109.2 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.9 | -43.4 | 175.3 | -73.5 | -18.4 | 0 | 0 | 0 | 111.1 | L497 K498 F503 N504 V505 | L497-D501 PolarHBondContact O-N 3.07Å; K498-D501 PolarHBondContact O-N 3.18Å; D501-F503 VanDerWaalsContact C-N 3.33Å; D501-F503 PolarHBondContact O-N 2.94Å; D501-N504 PolarHBondContact O-N 3.42Å; D501-V505 VanDerWaalsContact O-CG2 3.31Å; D501-V505 WeakPolarHBondContact O-CG2 3.42Å; D501-V505 PolarHBondContact O-N 2.93Å |
| 502 | D | 70.4 | Confident | 72.3 | Confident | 99 Ų | 99 | 116 Ų | 116 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.3 | -37.9 | 174.9 | -73.5 | -19.7 | 0 | 0 | 0 | 111.9 | K498 T506 | K498-D502 PolarHBondContact O-N 2.93Å; D502-T506 WeakPolarHBondContact O-CB 3.24Å; D502-T506 PolarHBondContact O-N 3.37Å; D502-T506 PolarHBondContact O-OG1 3.41Å |
| 503 | F | 73.4 | Confident | 72.3 | Confident | 133 Ų | 133 | 116.1 Ų | 116.1 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.4 | -39.1 | 175.1 | -168.5 | -98.7 | 0 | 0 | 0 | 112.4 | A499 N500 D501 K507 | A499-F503 WeakPolarHBondContact O-CB 3.48Å; A499-F503 PolarHBondContact O-N 2.93Å; N500-F503 PolarHBondContact O-N 3.18Å; D501-F503 VanDerWaalsContact C-N 3.33Å; D501-F503 PolarHBondContact O-N 2.94Å; F503-K507 WeakPolarHBondContact O-CB 3.36Å; F503-K507 PolarHBondContact O-N 3.04Å |
| 504 | N | 69.2 | Low | 72.5 | Confident | 96 Ų | 96 | 116.6 Ų | 116.6 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.3 | -38.1 | 177.3 | -78.8 | -36.1 | 0 | 0 | 0 | 112.7 | N500 D501 K507 W508 | N500-N504 WeakPolarHBondContact O-CB 3.22Å; N500-N504 PolarHBondContact O-N 3.32Å; N500-N504 PolarHBondContact O-ND2 3.48Å; D501-N504 PolarHBondContact O-N 3.42Å; N504-K507 PolarHBondContact O-N 3.5Å; N504-W508 WeakPolarHBondContact O-CB 3.21Å; N504-W508 PolarHBondContact O-N 3.45Å |
| 505 | V | 72.6 | Confident | 72.7 | Confident | 82 Ų | 82 | 116.3 Ų | 116.3 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.1 | -43 | 173.5 | 172 | 0 | 0 | 0 | 0 | 110.6 | D501 W508 L509 | D501-V505 VanDerWaalsContact O-CG2 3.31Å; D501-V505 WeakPolarHBondContact O-CG2 3.42Å; D501-V505 PolarHBondContact O-N 2.93Å; V505-W508 PolarHBondContact O-N 2.82Å; V505-L509 HydrophobicContact CG1-CD1 4.05Å; V505-L509 WeakPolarHBondContact O-CB 3.45Å; V505-L509 WeakPolarHBondContact O-CG 3.37Å; V505-L509 PolarHBondContact O-N 2.96Å |
| 506 | T | 74.6 | Confident | 72.6 | Confident | 84 Ų | 84 | 117.8 Ų | 117.8 | 52% | 0.515 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -41.2 | 177 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | D502 W508 L509 C510 | D502-T506 WeakPolarHBondContact O-CB 3.24Å; D502-T506 PolarHBondContact O-N 3.37Å; D502-T506 PolarHBondContact O-OG1 3.41Å; T506-W508 VanDerWaalsContact C-N 3.35Å; T506-W508 PolarHBondContact O-N 2.93Å; T506-L509 PolarHBondContact O-N 2.8Å; T506-C510 PolarHBondContact O-N 3.25Å |
| 507 | K | 75.6 | Confident | 72.6 | Confident | 123 Ų | 123 | 118.3 Ų | 118.3 | 54% | 0.535 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.1 | -31.3 | 177 | -165.5 | 176.2 | -174.7 | 177.8 | 0 | 113 | F503 N504 R511 | F503-K507 WeakPolarHBondContact O-CB 3.36Å; F503-K507 PolarHBondContact O-N 3.04Å; N504-K507 PolarHBondContact O-N 3.5Å; K507-R511 PolarHBondContact O-N 2.9Å |
| 508 | W | 79.7 | Confident | 72.7 | Confident | 161 Ų | 161 | 120 Ų | 120 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.2 | -42.3 | 173.4 | -172.6 | 85.5 | 0 | 0 | 0 | 111.4 | N504 V505 T506 C510 R511 Q512 | N504-W508 WeakPolarHBondContact O-CB 3.21Å; N504-W508 PolarHBondContact O-N 3.45Å; V505-W508 PolarHBondContact O-N 2.82Å; T506-W508 VanDerWaalsContact C-N 3.35Å; T506-W508 PolarHBondContact O-N 2.93Å; W508-C510 VanDerWaalsContact C-N 3.33Å; W508-C510 PolarHBondContact O-N 2.93Å; W508-R511 PolarHBondContact O-N 3.03Å; W508-R511 VanDerWaalsContact O-N 3.09Å; W508-Q512 HydrophobicContact CH2-CG 4.31Å; W508-Q512 HydrophobicContact CZ2-CG 4.3Å; W508-Q512 HydrophobicContact CZ3-CG 4.47Å; W508-Q512 PolarHBondContact O-N 3.23Å |
| 509 | L | 73.9 | Confident | 72.7 | Confident | 109 Ų | 109 | 118.1 Ų | 118.1 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.7 | -29.4 | 175.1 | -77.9 | 167.3 | 0 | 0 | 0 | 113.7 | V505 T506 R511 | V505-L509 HydrophobicContact CG1-CD1 4.05Å; V505-L509 WeakPolarHBondContact O-CB 3.45Å; V505-L509 WeakPolarHBondContact O-CG 3.37Å; V505-L509 PolarHBondContact O-N 2.96Å; T506-L509 PolarHBondContact O-N 2.8Å; L509-R511 VanDerWaalsContact C-N 3.31Å |
| 510 | C | 78.5 | Confident | 72.7 | Confident | 108 Ų | 108 | 122.8 Ų | 122.8 | 73% | 0.73 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -8 | 172.3 | -74.2 | 0 | 0 | 0 | 0 | 114.3 | T506 W508 | T506-C510 PolarHBondContact O-N 3.25Å; W508-C510 VanDerWaalsContact C-N 3.33Å; W508-C510 PolarHBondContact O-N 2.93Å |
| 511 | R | 72.8 | Confident | 73 | Confident | 217 Ų | 217 | 125 Ų | 125 | 82% | 0.819 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -21.8 | 178.9 | -107 | -174.5 | -176.5 | -165.5 | 0.3 | 113.7 | K507 W508 L509 | K507-R511 PolarHBondContact O-N 2.9Å; W508-R511 PolarHBondContact O-N 3.03Å; W508-R511 VanDerWaalsContact O-N 3.09Å; L509-R511 VanDerWaalsContact C-N 3.31Å |
| 512 | Q | 64.6 | Low | 73.2 | Confident | 185 Ų | 185 | 127 Ų | 127 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | trans | -79.4 | 0 | 163.2 | -68.3 | -66.9 | -24.3 | 0 | 0 | 108.8 | W508 | W508-Q512 HydrophobicContact CH2-CG 4.31Å; W508-Q512 HydrophobicContact CZ2-CG 4.3Å; W508-Q512 HydrophobicContact CZ3-CG 4.47Å; W508-Q512 PolarHBondContact O-N 3.23Å |
Retrieved 512 of 512 residues in 378.2 ms
(Link to these results)