| 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 | 41.9 | Very low | 49.1 | Very low | 237 Ų | 237 | 138.5 Ų | 138.5 | 100% | 1.167 | 82% | 0.817 | S | S | * | * | 0 | 139 | 0 | -76.5 | -63.2 | 139.4 | 0 | 0 | 107.9 | |||||
| 2 | P | 57.3 | Low | 49.6 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | trans | -123.6 | 129.2 | -137.3 | 34.4 | -18.6 | 0 | 0 | 0 | 116.1 | ||||
| 3 | D | 42.5 | Very low | 49.1 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | 49.9 | 150.6 | 100.9 | -148.4 | 8.8 | 0 | 0 | 0 | 122.3 | |||||
| 4 | L | 53.7 | Low | 49.5 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | 68.4 | 159.3 | 166.9 | -51.1 | -178.1 | 0 | 0 | 0 | 119.4 | ||||
| 5 | S | 46.8 | Very low | 49.5 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | cis | -167.4 | 149 | -37.4 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 6 | S | 47 | Very low | 49.9 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -22.6 | 139.7 | 170.8 | 58.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 7 | S | 51.1 | Low | 49.9 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -161.3 | 137.9 | 137.6 | 59.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 8 | K | 48.9 | Very low | 49.6 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | cis | 81.2 | 99.2 | 25.2 | -78.5 | -165.7 | 175.6 | -179.5 | 0 | 117.3 | ||||
| 9 | S | 52.1 | Low | 50.1 | Low | 125 Ų | 125 | 145.8 Ų | 145.8 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 157 | 162.4 | 148.7 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 10 | S | 49.9 | Very low | 49.7 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -154.3 | 169.1 | -43.8 | -156.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | T | 49 | Very low | 50.2 | Low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -61.4 | 150.7 | -175.4 | 53 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 12 | K | 54.6 | Low | 50.5 | Low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | -156.9 | 154.3 | 122 | -126 | 175.6 | -176.9 | 177.5 | 0 | 114.8 | |||||
| 13 | T | 44 | Very low | 49.9 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | trans | -106.8 | 157 | -173.2 | -24 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 14 | L | 54.5 | Low | 50.1 | Low | 173 Ų | 173 | 144.9 Ų | 144.9 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -158.6 | 159.1 | 140.1 | -131 | 82.5 | 0 | 0 | 0 | 112.1 | ||||
| 15 | I | 49.9 | Very low | 50 | Low | 141 Ų | 141 | 144.4 Ų | 144.4 | 72% | 0.723 | 81% | 0.812 | S | S | * | * | trans | -145.2 | 141.5 | -171.4 | -56 | 168.1 | 0 | 0 | 0 | 104.1 | ||||
| 16 | P | 55.5 | Low | 49.8 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -166.7 | -176.2 | 75 | 46.2 | -22.6 | 0 | 0 | 0 | 121.7 | |||||
| 17 | A | 50.4 | Low | 49.9 | Very low | 87 Ų | 87 | 151.2 Ų | 151.2 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | trans | 86 | 88.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 18 | K | 44.4 | Very low | 49.5 | Very low | 204 Ų | 204 | 150.9 Ų | 150.9 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | 21.2 | 130.4 | 124.4 | -62.8 | 177 | 176.2 | 177.9 | 0 | 120.2 | |||||
| 19 | K | 58.3 | Low | 49.4 | Very low | 204 Ų | 204 | 147 Ų | 147 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -158.8 | 141.5 | 131.9 | -112.6 | 169.5 | -175.5 | 177.1 | 0 | 112 | ||||
| 20 | N | 42.9 | Very low | 49 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -120.6 | -166.1 | 176.2 | -64.7 | 3.6 | 0 | 0 | 0 | 108.7 | ||||
| 21 | P | 59.9 | Low | 48.8 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | -127 | 166.2 | -77.7 | 38.9 | -24.7 | 0 | 0 | 0 | 112.9 | |||||
| 22 | L | 47.9 | Very low | 48.9 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | -142.1 | 171.5 | 162.6 | -84.4 | -174.6 | 0 | 0 | 0 | 112.7 | ||||
| 23 | K | 44.5 | Very low | 48.2 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -149.1 | 122.6 | -148.9 | 173.6 | -168.2 | 176.9 | -172.2 | 0 | 112.9 | ||||
| 24 | S | 46.5 | Very low | 48.6 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -173.5 | 155.3 | 171 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 25 | T | 52.8 | Low | 48.1 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | cis | -154.7 | 160.7 | -20.6 | 16.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 26 | D | 42 | Very low | 48 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -66.7 | 157.2 | -174.9 | -48.4 | -100.9 | 0 | 0 | 0 | 115.4 | ||||
| 27 | K | 49.8 | Very low | 47.6 | Very low | 215 Ų | 215 | 149.6 Ų | 149.6 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -139.5 | 139.8 | 135.7 | -79.1 | -148.9 | 171.8 | -170.8 | 0 | 111.9 | ||||
| 28 | V | 41.7 | Very low | 47.2 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 66% | 0.661 | 81% | 0.814 | S | S | * | * | trans | -110 | 145.6 | -175.6 | 177 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 29 | S | 47.1 | Very low | 47.3 | Very low | 118 Ų | 118 | 152 Ų | 152 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -149.1 | 156.7 | 157 | 58.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 30 | H | 43.8 | Very low | 46.6 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -118.4 | 137.8 | -160.5 | -55.7 | -94.5 | 0 | 0 | 0 | 113.7 | ||||
| 31 | S | 46.3 | Very low | 46.8 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 173.2 | 150.5 | 145 | 39.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 32 | S | 49.8 | Very low | 46.1 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | cis | -158.1 | 128.8 | -25.4 | 46.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 33 | S | 40.5 | Very low | 46.2 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -83.2 | 119.6 | -177.6 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 34 | S | 53.2 | Low | 46.4 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -114.5 | 113.5 | 172.8 | -162 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 35 | R | 44 | Very low | 46.5 | Very low | 220 Ų | 220 | 151 Ų | 151 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 176.8 | 178.6 | -77.3 | 166.3 | 144.8 | 162.2 | -8.3 | 112.1 | ||||
| 36 | Q | 47.8 | Very low | 46.2 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 74.6 | 112.5 | 165.6 | -57 | 165.4 | -16.7 | 0 | 0 | 114.1 | ||||
| 37 | H | 45.3 | Very low | 46.6 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 65% | 0.648 | 78% | 0.778 | S | S | * | * | -160.2 | 127.5 | 51.5 | -97.7 | -78.1 | 0 | 0 | 0 | 114 | R39 | H37-R39 HydrophobicContact CB-CG 4.35Å; H37-R39 PolarHBondContact O-N 3.41Å | |||
| 38 | D | 42.6 | Very low | 46.6 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 111.1 | 154.9 | -77.5 | -80.7 | 0 | 0 | 0 | 110.6 | ||||
| 39 | R | 47.6 | Very low | 47 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -112.7 | 88.3 | 166.9 | -70.5 | -169 | -178.9 | 177.1 | 2.5 | 110.5 | H37 Y41 | H37-R39 HydrophobicContact CB-CG 4.35Å; H37-R39 PolarHBondContact O-N 3.41Å; R39-Y41 VanDerWaalsContact C-N 3.28Å; R39-Y41 HydrophobicContact CB-CD2 4.25Å; R39-Y41 PolarHBondContact O-N 2.97Å | ||
| 40 | K | 43 | Very low | 47.9 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -62 | 82.7 | 169.7 | -65.9 | 175.8 | 179.4 | 175.3 | 0 | 110.6 | S42 | K40-S42 PolarHBondContact O-N 3.48Š| ||
| 41 | Y | 47.2 | Very low | 48.9 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | trans | -85.6 | 91 | 171.6 | -100.8 | -80.1 | 0 | 0 | 0 | 110.8 | R39 H43 | R39-Y41 VanDerWaalsContact C-N 3.28Å; R39-Y41 HydrophobicContact CB-CD2 4.25Å; R39-Y41 PolarHBondContact O-N 2.97Å; Y41-H43 PolarHBondContact O-N 3.42Å; Y41-H43 PolarHBondContact O-ND1 3.24Å | ||
| 42 | S | 45.7 | Very low | 49.1 | Very low | 108 Ų | 108 | 154.1 Ų | 154.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -57.3 | 104.6 | 168.8 | 39.2 | 0 | 0 | 0 | 0 | 110.2 | K40 S44 | K40-S42 PolarHBondContact O-N 3.48Å; S42-S44 VanDerWaalsContact C-N 3.28Å; S42-S44 PolarHBondContact O-N 3.22Å | ||
| 43 | H | 48.8 | Very low | 49.3 | Very low | 177 Ų | 177 | 160.3 Ų | 160.3 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | -71.7 | 87.5 | 173.1 | -80 | 58.2 | 0 | 0 | 0 | 109.2 | Y41 | Y41-H43 PolarHBondContact O-N 3.42Å; Y41-H43 PolarHBondContact O-ND1 3.24Å | ||
| 44 | S | 48 | Very low | 49.6 | Very low | 91 Ų | 91 | 165.9 Ų | 165.9 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | -58.9 | 135.8 | 170.5 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | S42 I46 | S42-S44 VanDerWaalsContact C-N 3.28Å; S42-S44 PolarHBondContact O-N 3.22Å; S44-I46 VanDerWaalsContact C-N 3.33Å; S44-I46 PolarHBondContact O-N 3.39Å | ||
| 45 | K | 48.6 | Very low | 49.4 | Very low | 194 Ų | 194 | 164.5 Ų | 164.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 83.3 | -171 | -65.1 | 174.3 | -179.7 | 175.5 | 0 | 110.6 | T47 | K45-T47 PolarHBondContact O-N 3.34Š| ||
| 46 | I | 47.4 | Very low | 49.7 | Very low | 140 Ų | 140 | 165.9 Ų | 165.9 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -73 | 82.9 | 171.9 | -57.2 | -178.2 | 0 | 0 | 0 | 108.7 | S44 R48 | S44-I46 VanDerWaalsContact C-N 3.33Å; S44-I46 PolarHBondContact O-N 3.39Å; I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 HydrophobicContact CG2-CG 4.33Å; I46-R48 PolarHBondContact O-N 3.37Å | ||
| 47 | T | 50.4 | Low | 49.8 | Very low | 117 Ų | 117 | 168.3 Ų | 168.3 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 83 | 170.8 | 44.4 | 0 | 0 | 0 | 0 | 109.6 | K45 S49 | K45-T47 PolarHBondContact O-N 3.34Å; T47-S49 PolarHBondContact O-N 3.06Å; T47-S49 PolarHBondContact O-OG 2.59Å | ||
| 48 | R | 49.4 | Very low | 49.7 | Very low | 235 Ų | 235 | 167.1 Ų | 167.1 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -63.3 | 79.4 | 171.8 | -101.8 | -173.2 | 167.9 | -159 | -2.4 | 110.5 | I46 | I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 HydrophobicContact CG2-CG 4.33Å; I46-R48 PolarHBondContact O-N 3.37Å | ||
| 49 | S | 51.3 | Low | 50.1 | Low | 97 Ų | 97 | 170.8 Ų | 170.8 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -58.3 | 132.8 | 174.2 | -65.5 | 0 | 0 | 0 | 0 | 109.3 | T47 | T47-S49 PolarHBondContact O-N 3.06Å; T47-S49 PolarHBondContact O-OG 2.59Å | ||
| 50 | P | 65.5 | Low | 49.8 | Very low | 109 Ų | 109 | 168.4 Ų | 168.4 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -57.3 | 147.2 | 176.4 | -25.3 | 34.3 | 0 | 0 | 0 | 111.5 | R52 | P50-R52 PolarHBondContact O-N 3.07Š| ||
| 51 | P | 63.7 | Low | 49.8 | Very low | 128 Ų | 128 | 164 Ų | 164 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -62 | 104 | 175.1 | 25.8 | -33.4 | 0 | 0 | 0 | 109.7 | R53 | P51-R53 PolarHBondContact O-N 2.97Š| ||
| 52 | R | 51.9 | Low | 49.6 | Very low | 243 Ų | 243 | 161.4 Ų | 161.4 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -54.7 | 106.6 | 179.3 | -90.2 | 178.6 | 141.2 | -174.8 | -4.5 | 110 | P50 R54 | P50-R52 PolarHBondContact O-N 3.07Å; R52-R54 PolarHBondContact O-N 3.19Å | ||
| 53 | R | 53.7 | Low | 49.4 | Very low | 240 Ų | 240 | 161.9 Ų | 161.9 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -52.6 | 116.2 | 169.4 | -74.1 | 176.9 | 69.3 | 177.1 | 1.2 | 108.2 | P51 A55 | P51-R53 PolarHBondContact O-N 2.97Å; R53-A55 PolarHBondContact O-N 2.96Å | ||
| 54 | R | 47.6 | Very low | 49 | Very low | 242 Ų | 242 | 158.8 Ų | 158.8 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -71 | 95.4 | -173.1 | -154.5 | 175.3 | -170.1 | 177.5 | 2.8 | 109.1 | R52 R56 | R52-R54 PolarHBondContact O-N 3.19Å; R54-R56 PolarHBondContact O-N 3.48Å | ||
| 55 | A | 47.1 | Very low | 48.8 | Very low | 90 Ų | 90 | 159.6 Ų | 159.6 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 95.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R53 R57 | R53-A55 PolarHBondContact O-N 2.96Å; A55-R57 VanDerWaalsContact C-N 3.29Å; A55-R57 PolarHBondContact O-N 3.02Å | ||
| 56 | R | 51.6 | Low | 48.5 | Very low | 250 Ų | 250 | 154.8 Ų | 154.8 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | trans | -68.2 | 92 | 165 | -85 | -172.9 | 163.2 | -179.5 | -5.2 | 107.9 | R54 S58 | R54-R56 PolarHBondContact O-N 3.48Å; R56-S58 PolarHBondContact O-N 3.26Å | ||
| 57 | R | 49.5 | Very low | 48.3 | Very low | 218 Ų | 218 | 154.6 Ų | 154.6 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | trans | -54.5 | 122.3 | 170 | -81.7 | 177.4 | 156.6 | 175.2 | -7.2 | 109 | A55 R59 | A55-R57 VanDerWaalsContact C-N 3.29Å; A55-R57 PolarHBondContact O-N 3.02Å; R57-R59 PolarHBondContact O-N 2.86Å | ||
| 58 | S | 42.7 | Very low | 47.8 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -60 | 127.5 | 159.9 | 37.4 | 0 | 0 | 0 | 0 | 109.1 | R56 | R56-S58 PolarHBondContact O-N 3.26Š| ||
| 59 | R | 50.6 | Low | 47.4 | Very low | 229 Ų | 229 | 149.7 Ų | 149.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -134.2 | 135.8 | 159.4 | -85.5 | -166.2 | 164.1 | -175 | -6.2 | 108.6 | R57 | R57-R59 PolarHBondContact O-N 2.86Š| ||
| 60 | T | 42.4 | Very low | 46.9 | Very low | 138 Ų | 138 | 150 Ų | 150 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -98.8 | 121.5 | -168.9 | 46 | 0 | 0 | 0 | 0 | 111 | ||||
| 61 | S | 43.4 | Very low | 45.8 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -165.8 | 99.6 | 160.8 | 48.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 62 | T | 42.9 | Very low | 44.9 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 68.8 | 134.9 | 75.7 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 63 | S | 41.5 | Very low | 44.5 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 76.9 | 153.7 | -172.6 | 87.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 64 | S | 39.4 | Very low | 44 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | -173.7 | 106.9 | -58 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 65 | S | 43.4 | Very low | 43.9 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -172.6 | 145.5 | 161.9 | 62.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 66 | S | 43.2 | Very low | 43.7 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | 60 | 131.3 | 47.7 | 101.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 67 | D | 42.4 | Very low | 43.5 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -131 | 145.9 | 19.8 | -53.4 | -52.8 | 0 | 0 | 0 | 110.7 | ||||
| 68 | S | 40.8 | Very low | 43.4 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | 50.8 | 107.4 | 78.2 | 24.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 69 | N | 41.7 | Very low | 43.5 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 162.7 | 131.9 | 136.5 | -79.1 | -15.4 | 0 | 0 | 0 | 109 | ||||
| 70 | S | 39.6 | Very low | 43.3 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | 91.7 | 95.6 | 12.4 | 87 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 71 | S | 42.6 | Very low | 43.6 | Very low | 110 Ų | 110 | 117.8 Ų | 117.8 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -170.5 | 130 | 144.3 | 51.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 72 | S | 44.8 | Very low | 43.8 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | 78.3 | 106.7 | 28.9 | 83.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 73 | S | 43.9 | Very low | 44.1 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -156.2 | 80.2 | 165.7 | 62.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 74 | D | 44 | Very low | 44.1 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -83.4 | -162.5 | 169.4 | -61.3 | -83.9 | 0 | 0 | 0 | 109.9 | ||||
| 75 | S | 44.2 | Very low | 44.4 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 76.6 | 107.5 | -177 | -73.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 76 | D | 42.6 | Very low | 44.5 | Very low | 147 Ų | 147 | 118.2 Ų | 118.2 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | 88.1 | 129.7 | 86.3 | -63.9 | -42 | 0 | 0 | 0 | 110.1 | |||||
| 77 | S | 47.5 | Very low | 44.7 | Very low | 92 Ų | 92 | 121.1 Ų | 121.1 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | -172.7 | 178.8 | 43.4 | 42.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 78 | N | 47.9 | Very low | 44.8 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 75.5 | 120.1 | 173.4 | -39.5 | -65.9 | 0 | 0 | 0 | 114.7 | ||||
| 79 | D | 45.5 | Very low | 45.4 | Very low | 147 Ų | 147 | 119.4 Ų | 119.4 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | cis | 89.8 | 146.6 | 26.2 | -165.6 | 46.1 | 0 | 0 | 0 | 116.3 | ||||
| 80 | S | 45.3 | Very low | 45.9 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 80.1 | 139.9 | 164.3 | -76.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 81 | S | 49.7 | Very low | 46.1 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 63.8 | 125 | 179.6 | 65.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 82 | A | 46.7 | Very low | 46.5 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | cis | 82.5 | 152.2 | 19.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 83 | S | 49.1 | Very low | 46.9 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 66.1 | 128.7 | -155.1 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 84 | D | 41.8 | Very low | 47.1 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | cis | 65 | 101.8 | 17 | -164.6 | 22.4 | 0 | 0 | 0 | 116.1 | ||||
| 85 | S | 46.8 | Very low | 47.5 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -167.2 | 136.9 | 150.8 | 31.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 86 | S | 45.5 | Very low | 47.5 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -97 | 136.3 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 87 | N | 46.3 | Very low | 47.7 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -163.5 | 130.6 | 154.9 | -93.7 | -46.6 | 0 | 0 | 0 | 107.6 | ||||
| 88 | S | 43.8 | Very low | 47.6 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | 69.5 | 85.9 | 30.1 | -160.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 89 | S | 53.5 | Low | 47.4 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | trans | -173.2 | 136.1 | 136.1 | -90.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 90 | K | 52.7 | Low | 47.4 | Very low | 202 Ų | 202 | 123.8 Ų | 123.8 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | 24.9 | 132.3 | 131.4 | -55.8 | 152.9 | -175.2 | 167.2 | 0 | 117.4 | ||||
| 91 | G | 44.1 | Very low | 47.4 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | cis | 141.6 | -162.3 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 92 | S | 51.2 | Low | 47.3 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 70.6 | 149.9 | -179.9 | -61.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 93 | K | 53.4 | Low | 47.6 | Very low | 188 Ų | 188 | 125.5 Ų | 125.5 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | cis | -161 | 165.2 | -13.1 | -98.7 | 156.3 | -166.1 | 172.5 | 0 | 105.7 | ||||
| 94 | K | 47 | Very low | 47.8 | Very low | 170 Ų | 170 | 129.2 Ų | 129.2 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | cis | 154.3 | 105 | -22.6 | -178.3 | -173.6 | -173.3 | -173 | 0 | 107.3 | ||||
| 95 | S | 52.9 | Low | 47.8 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -173.6 | 111.4 | 165.5 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 96 | N | 45.2 | Very low | 48.1 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | cis | 85.3 | 96.2 | 32.5 | -78.2 | 47.8 | 0 | 0 | 0 | 117.2 | ||||
| 97 | L | 46.4 | Very low | 48.1 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | -165.5 | 121.5 | 134.1 | -133.9 | 56.4 | 0 | 0 | 0 | 105.9 | ||||
| 98 | V | 45.8 | Very low | 47.9 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | 66.3 | 122.9 | 58.2 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 99 | T | 42.4 | Very low | 48.2 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -117.7 | 157.6 | 34.3 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 100 | A | 45.2 | Very low | 48 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | 62 | 135.1 | 54.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 101 | S | 47 | Very low | 47.5 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | cis | -170.5 | -175 | -6.1 | 52.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 102 | D | 47.5 | Very low | 48.5 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | cis | -162.3 | 178.4 | 3.1 | -145.9 | -26.7 | 0 | 0 | 0 | 112.9 | ||||
| 103 | T | 52.5 | Low | 48.3 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 55% | 0.546 | 77% | 0.773 | S | S | . | * | trans | 58 | 118 | 154 | 57.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 104 | K | 53.3 | Low | 48 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | 57.3 | 111.6 | 124.9 | -58.4 | 168.5 | -174.2 | 171.9 | 0 | 119 | |||||
| 105 | N | 41.7 | Very low | 47.9 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 106.2 | 170 | 73.3 | -167.9 | 23.7 | 0 | 0 | 0 | 110.9 | |||||
| 106 | V | 53.1 | Low | 47.7 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | 93.3 | 109.5 | 171.2 | -172.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 107 | S | 45.2 | Very low | 48.1 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | 73.1 | 134.4 | 150.3 | -62.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 108 | E | 43.2 | Very low | 48 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | -73.8 | 153.5 | 168.2 | -54 | 167.8 | 109.5 | 0 | 0 | 112.1 | ||||
| 109 | R | 49.8 | Very low | 48.6 | Very low | 244 Ų | 244 | 136.5 Ų | 136.5 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -154.7 | 146.6 | 155.1 | -141.9 | 165 | -174.2 | -95 | -0.1 | 112.5 | ||||
| 110 | P | 48.2 | Very low | 48.8 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -95.4 | -174 | -166.6 | -5.9 | 27.8 | 0 | 0 | 0 | 115.8 | ||||
| 111 | H | 43 | Very low | 49.3 | Very low | 164 Ų | 164 | 140 Ų | 140 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -34.9 | 147.9 | -179.5 | -36.8 | -82.2 | 0 | 0 | 0 | 118.4 | ||||
| 112 | P | 65.2 | Low | 49.5 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -83.7 | 125.2 | 155.4 | 33.3 | -29.2 | 0 | 0 | 0 | 111 | ||||
| 113 | T | 46.6 | Very low | 49.9 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -127.4 | 129 | 172 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 114 | G | 46.2 | Very low | 49.9 | Very low | 74 Ų | 74 | 144.1 Ų | 144.1 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 87.2 | 104.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 115 | Q | 46.1 | Very low | 49.7 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -127.6 | 121.8 | 135.5 | -69.1 | -179.5 | -15.5 | 0 | 0 | 105.7 | ||||
| 116 | S | 48.5 | Very low | 50.5 | Low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | 92.4 | 66.9 | 30 | 86.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 117 | S | 52.9 | Low | 50.3 | Low | 125 Ų | 125 | 145.7 Ų | 145.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -152.5 | 121.4 | 149.1 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 118 | S | 45.3 | Very low | 50.6 | Low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -100.6 | 129.8 | 172.1 | 60.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 119 | M | 58.5 | Low | 50.6 | Low | 176 Ų | 176 | 144.4 Ų | 144.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -126.2 | 114 | 160.5 | -68.2 | -143.1 | 77.5 | 0 | 0 | 109.9 | ||||
| 120 | H | 46.2 | Very low | 50.6 | Low | 181 Ų | 181 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -96.1 | 117.4 | 168.5 | -59 | 99.5 | 0 | 0 | 0 | 108.1 | ||||
| 121 | S | 55 | Low | 50.3 | Low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -136 | 119.4 | 170.5 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 122 | K | 52.3 | Low | 50.7 | Low | 215 Ų | 215 | 140.9 Ų | 140.9 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -77.6 | 123.3 | 175.4 | -62.2 | 171 | -179.7 | 174.6 | 0 | 108.9 | ||||
| 123 | V | 54.2 | Low | 49.8 | Very low | 143 Ų | 143 | 144 Ų | 144 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -131.4 | 122.4 | 155.4 | -173.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 124 | G | 53.2 | Low | 49.5 | Very low | 62 Ų | 62 | 143.7 Ų | 143.7 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -94.6 | 157.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K126 | G124-K126 PolarHBondContact O-N 3.06Š| ||
| 125 | D | 49.3 | Very low | 49.7 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -52.9 | 130.6 | 168.5 | -66 | -68.8 | 0 | 0 | 0 | 111.5 | ||||
| 126 | K | 59.3 | Low | 50.2 | Low | 188 Ų | 188 | 145.7 Ų | 145.7 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -126.7 | 95.4 | 166.2 | -74.9 | -170.9 | 177 | -178.1 | 0 | 109.2 | G124 V128 | G124-K126 PolarHBondContact O-N 3.06Å; K126-V128 PolarHBondContact O-N 3.37Å | ||
| 127 | T | 47.1 | Very low | 50.4 | Low | 136 Ų | 136 | 146.5 Ų | 146.5 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -55.7 | 102.3 | 165 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 128 | V | 53.3 | Low | 50.5 | Low | 107 Ų | 107 | 144.3 Ų | 144.3 | 65% | 0.648 | 80% | 0.802 | S | S | * | * | trans | -100.4 | 109.1 | 169.6 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | K126 M130 | K126-V128 PolarHBondContact O-N 3.37Å; V128-M130 HydrophobicContact CG1-CE 4.08Å; V128-M130 HydrophobicContact CG1-CG 4.16Å; V128-M130 PolarHBondContact O-N 2.89Å | ||
| 129 | Q | 42.7 | Very low | 50.6 | Low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -67 | 128.6 | 165 | -64.5 | -179.7 | -1.6 | 0 | 0 | 108.6 | ||||
| 130 | M | 49.4 | Very low | 50.8 | Low | 137 Ų | 137 | 142.8 Ų | 142.8 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -129.7 | 122.2 | 161.8 | -81.7 | -65.1 | 153.1 | 0 | 0 | 109.6 | V128 Y132 | V128-M130 HydrophobicContact CG1-CE 4.08Å; V128-M130 HydrophobicContact CG1-CG 4.16Å; V128-M130 PolarHBondContact O-N 2.89Å; M130-Y132 HydrophobicContact CB-CE2 3.83Å | ||
| 131 | S | 42.2 | Very low | 51 | Low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -95.1 | 109.6 | -167.7 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 132 | Y | 51.1 | Low | 50.8 | Low | 198 Ų | 198 | 147.3 Ų | 147.3 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -123.4 | 71.7 | 173.7 | -59.4 | -64.4 | 0 | 0 | 0 | 112.4 | M130 | M130-Y132 HydrophobicContact CB-CE2 3.83Š| ||
| 133 | K | 45.9 | Very low | 50.4 | Low | 201 Ų | 201 | 145.8 Ų | 145.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | 36.9 | 97.3 | 142.8 | -162 | 173 | -173.1 | 177.4 | 0 | 117.6 | ||||
| 134 | S | 40.9 | Very low | 49.9 | Very low | 124 Ų | 124 | 145 Ų | 145 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -60.2 | 148.3 | 164.1 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 135 | S | 50.8 | Low | 49.3 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -138.5 | 145.7 | 160.7 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 136 | E | 55.9 | Low | 49 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -88 | 151.5 | -153.2 | -53.6 | -179.3 | 139.6 | 0 | 0 | 115.7 | ||||
| 137 | P | 53.6 | Low | 48.4 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -88.3 | 97.8 | 160.9 | 33.9 | -28.9 | 0 | 0 | 0 | 110.7 | D139 | P137-D139 PolarHBondContact O-N 3.28Š| ||
| 138 | G | 54.6 | Low | 48.3 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -77.6 | 97.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 139 | D | 48.1 | Very low | 47.9 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | -86 | 130.7 | 166.8 | -178.8 | 18 | 0 | 0 | 0 | 110.4 | P137 K141 | P137-D139 PolarHBondContact O-N 3.28Å; D139-K141 IonicContact OD2-NZ 3.81Å | ||
| 140 | S | 62.3 | Low | 48.2 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -155.2 | 104.9 | -178.5 | -85.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 141 | K | 49.4 | Very low | 48.4 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 74% | 0.735 | 78% | 0.778 | S | S | * | * | trans | -83.7 | 131.8 | 178 | -60.8 | 148.2 | -173.5 | 159 | 0 | 111.3 | D139 | D139-K141 IonicContact OD2-NZ 3.81Š| ||
| 142 | K | 51.7 | Low | 48.6 | Very low | 209 Ų | 209 | 139 Ų | 139 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | 164.6 | 155.5 | 152.3 | -89.8 | 145.6 | -165.1 | 175.1 | 0 | 110.4 | ||||
| 143 | K | 44.4 | Very low | 48.2 | Very low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | cis | -175 | 125.3 | -27.4 | -163.4 | -154.4 | 178 | -173.7 | 0 | 109.1 | ||||
| 144 | V | 42 | Very low | 48 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 60.6 | 164.1 | 174.1 | -128.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 145 | V | 41.4 | Very low | 48.3 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -134.7 | 167.4 | 17.5 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 146 | S | 43.6 | Very low | 47.9 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -64 | -177.7 | 177.2 | 60 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 147 | A | 45.4 | Very low | 47.7 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 58% | 0.579 | 76% | 0.756 | S | S | * | * | cis | -167.2 | 154.2 | 17.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 148 | L | 46.3 | Very low | 46.9 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 60.1 | 160.8 | 147.3 | -52.7 | 169.1 | 0 | 0 | 0 | 118.5 | ||||
| 149 | T | 44.8 | Very low | 46.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | cis | -155.1 | 129.1 | -29.2 | 20.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 150 | S | 49 | Very low | 46 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | 39.3 | 148.8 | 127.8 | -41.3 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 151 | K | 53 | Low | 45.3 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 80.2 | 150.4 | 157 | -65.7 | -175.3 | 147.9 | -69.7 | 0 | 116.9 | ||||
| 152 | D | 45.9 | Very low | 44.8 | Very low | 112 Ų | 112 | 139 Ų | 139 | 60% | 0.599 | 77% | 0.765 | S | S | * | * | cis | -161.8 | 169.5 | -6 | -108.4 | -11 | 0 | 0 | 0 | 109.8 | ||||
| 153 | E | 42.6 | Very low | 44.4 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | 55.8 | 121.2 | 159.4 | -64.2 | -64.6 | 86.3 | 0 | 0 | 119.6 | ||||
| 154 | L | 43.1 | Very low | 44.2 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | 85.4 | 103.2 | 61.6 | -174.2 | 72.4 | 0 | 0 | 0 | 115.2 | |||||
| 155 | S | 46.4 | Very low | 44.4 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 170.5 | 162.8 | 133.2 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 156 | K | 43.4 | Very low | 44.9 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -120 | 160.5 | 163.5 | -60.5 | -178 | 177.2 | -176.5 | 0 | 107.9 | ||||
| 157 | P | 51.2 | Low | 44.9 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | -152.1 | 171.7 | 96.1 | 39.2 | -21.7 | 0 | 0 | 0 | 116.8 | |||||
| 158 | E | 36.8 | Very low | 45 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 14.1 | 130.4 | 147 | -57.7 | -60.2 | 112.9 | 0 | 0 | 121.1 | ||||
| 159 | G | 47 | Very low | 44.7 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | -178.6 | 108.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 160 | N | 36.9 | Very low | 44.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -142.2 | 122.6 | 173.8 | -178.5 | 5.8 | 0 | 0 | 0 | 108.5 | ||||
| 161 | P | 47.7 | Very low | 44.3 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | -150.2 | 147.1 | 117.4 | 37.2 | -20.5 | 0 | 0 | 0 | 116.6 | |||||
| 162 | K | 37.9 | Very low | 43.5 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | trans | 50.5 | 117.5 | 134.1 | -63 | -179.7 | 176.6 | 179.1 | 0 | 121.3 | ||||
| 163 | S | 44.1 | Very low | 43.4 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 53.5 | 120 | 132.6 | 64.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 164 | N | 39.8 | Very low | 43.1 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | -168.6 | -178.6 | 104.2 | -95.5 | -14.5 | 0 | 0 | 0 | 112.8 | |||||
| 165 | S | 45.3 | Very low | 43.1 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -50.8 | 167.4 | 175.7 | 55 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 166 | T | 52.7 | Low | 42.6 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | cis | -162.6 | 154.1 | 31.8 | -147.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 167 | D | 43 | Very low | 42.4 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | trans | 52.5 | 169.2 | 154.7 | -51.1 | -53.3 | 0 | 0 | 0 | 119.5 | ||||
| 168 | H | 49 | Very low | 42 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | cis | -139.3 | 163.9 | 8.2 | -57.7 | -98.3 | 0 | 0 | 0 | 113.3 | ||||
| 169 | L | 40 | Very low | 42 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | trans | 87.4 | 123 | 148.6 | -133.3 | 67.6 | 0 | 0 | 0 | 120.3 | ||||
| 170 | S | 43.3 | Very low | 41.6 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -74.7 | 177.7 | 179.1 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 171 | K | 40.7 | Very low | 41.8 | Very low | 179 Ų | 179 | 125 Ų | 125 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | cis | -166.2 | 144.5 | 40.3 | -165.8 | 176.8 | -177.7 | -176.7 | 0 | 114.4 | ||||
| 172 | V | 37.4 | Very low | 41.3 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | trans | -118.8 | 157.6 | 165.8 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 173 | S | 43 | Very low | 41.5 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -163.5 | 139.1 | 168.4 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 174 | D | 36.1 | Very low | 41.2 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -120.4 | 170.9 | -169.7 | -69.2 | -74.4 | 0 | 0 | 0 | 114.1 | ||||
| 175 | T | 42.9 | Very low | 41.5 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 69 | 117.9 | 146.8 | 44.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 176 | S | 37.7 | Very low | 41.2 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | 87.9 | 142 | 121.1 | 76 | 0 | 0 | 0 | 0 | 123 | |||||
| 177 | G | 37.3 | Very low | 41.1 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 91.9 | 151 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 178 | V | 42.6 | Very low | 41.1 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | cis | -166.9 | 145.7 | -14 | 63 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 179 | T | 37.3 | Very low | 41 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | 46.5 | 137.6 | 162.7 | 48.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 180 | G | 38.3 | Very low | 41.6 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 165.3 | 94 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 181 | S | 42.1 | Very low | 41.7 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 40.8 | 105.9 | 144.2 | 57.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 182 | T | 37.3 | Very low | 42.2 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | 52.5 | 134.2 | 122.8 | 60.6 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 183 | L | 42.4 | Very low | 42.8 | Very low | 181 Ų | 181 | 129 Ų | 129 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | -158 | 161.8 | 115.2 | -103.3 | 175.7 | 0 | 0 | 0 | 110.4 | |||||
| 184 | S | 37.9 | Very low | 42.9 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -157 | 138.3 | -172.5 | -176.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 185 | S | 44.7 | Very low | 43.4 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -170 | 130.5 | 154.9 | 43.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 186 | S | 39.3 | Very low | 43.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | cis | 84.2 | 98.9 | 43.2 | -65.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 187 | V | 51.3 | Low | 43.7 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -144.1 | 146.1 | 144.6 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 188 | Q | 42 | Very low | 44.3 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -125.2 | 157.3 | 174.4 | -63.4 | 172.8 | -104.8 | 0 | 0 | 109.6 | ||||
| 189 | D | 46.7 | Very low | 44.5 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | 149 | 151.5 | 155.5 | -85.7 | -11.3 | 0 | 0 | 0 | 110.2 | ||||
| 190 | S | 53.5 | Low | 45 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | cis | -162.1 | 172.6 | -17.1 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 191 | D | 45.5 | Very low | 45.4 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 163.3 | -174.3 | -50.6 | -99.1 | 0 | 0 | 0 | 115.2 | ||||
| 192 | D | 50.5 | Low | 45.6 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | -177.7 | 156.6 | 109.6 | -149.1 | -1.2 | 0 | 0 | 0 | 115.5 | |||||
| 193 | K | 51.6 | Low | 46.2 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | 79.3 | 160.6 | 147.7 | -96.4 | 168.8 | -171.2 | 170.4 | 0 | 125.4 | ||||
| 194 | V | 44.7 | Very low | 46.6 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -146.6 | 161 | -158.6 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 195 | G | 45.9 | Very low | 47.6 | Very low | 75 Ų | 75 | 148.3 Ų | 148.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 130.4 | 149.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 196 | E | 43.6 | Very low | 47.8 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | cis | -149.7 | -178.4 | -8.5 | -148.6 | -166.7 | 113.8 | 0 | 0 | 110.1 | ||||
| 197 | T | 42.4 | Very low | 48.3 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | trans | -86.1 | 154.7 | -168.9 | 71.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 198 | S | 50.3 | Low | 48.5 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -153.1 | 139 | 142.5 | -91.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 199 | K | 46.9 | Very low | 48.7 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | trans | -96.2 | 151.4 | 178.7 | -64.6 | 158.9 | -177.4 | 156.5 | 0 | 109.4 | ||||
| 200 | N | 48 | Very low | 48.9 | Very low | 171 Ų | 171 | 147 Ų | 147 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | trans | -147.5 | 144.5 | 138.2 | -116.3 | -33.5 | 0 | 0 | 0 | 111.8 | ||||
| 201 | K | 47.5 | Very low | 48.7 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | -134.6 | 128.9 | -177.7 | -73.4 | -175.8 | 177.5 | -177.7 | 0 | 109.9 | ||||
| 202 | N | 46.1 | Very low | 49 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -151.8 | 132.4 | 149.1 | -92.7 | -31.1 | 0 | 0 | 0 | 105.8 | ||||
| 203 | R | 50.1 | Low | 49 | Very low | 215 Ų | 215 | 146.9 Ų | 146.9 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | 61 | 126.7 | 55.7 | -66.5 | -177.4 | 169.8 | 164.6 | -5.1 | 110.5 | |||||
| 204 | D | 49.4 | Very low | 48.5 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 56% | 0.556 | 78% | 0.777 | S | S | * | * | cis | -154 | 163.8 | 19.3 | -113.3 | -14 | 0 | 0 | 0 | 111.8 | ||||
| 205 | K | 59.7 | Low | 48.3 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 74% | 0.735 | 77% | 0.769 | S | S | * | * | trans | 42.5 | 133.2 | 143.7 | -54.7 | 156.1 | -173 | 147.3 | 0 | 118.3 | ||||
| 206 | T | 48.2 | Very low | 48.1 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | cis | -161.4 | 157.9 | 44.3 | -44.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 207 | S | 50.8 | Low | 48.1 | Very low | 80 Ų | 80 | 148 Ų | 148 | 56% | 0.559 | 76% | 0.763 | S | S | * | * | trans | -64.7 | 158.9 | 172.3 | 39.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 208 | H | 55.1 | Low | 48 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | -160.8 | 158.2 | 65.5 | -87 | -81.7 | 0 | 0 | 0 | 115.9 | |||||
| 209 | N | 45.5 | Very low | 47.7 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | trans | -79.3 | 144 | -176.9 | 175.9 | 20.3 | 0 | 0 | 0 | 113.4 | ||||
| 210 | I | 52.5 | Low | 47.4 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 86% | 0.862 | 76% | 0.759 | S | S | * | * | trans | -149.5 | 134.6 | 139.1 | -100.1 | 151 | 0 | 0 | 0 | 108.9 | ||||
| 211 | V | 48.7 | Very low | 47.5 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | trans | -90.2 | 134.8 | -173.8 | 170.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 212 | S | 52.1 | Low | 47.2 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -169.4 | 118.1 | 141.2 | -89.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 213 | K | 51 | Low | 47.1 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 55.2 | 109.4 | 143.1 | -56.7 | -177.2 | -178.2 | -177.5 | 0 | 120 | N215 | K213-N215 PolarHBondContact O-N 2.71Š| ||
| 214 | P | 39.3 | Very low | 47.2 | Very low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -83.6 | 99.6 | 162.3 | 33.2 | -29.9 | 0 | 0 | 0 | 110.9 | K216 | P214-K216 PolarHBondContact O-N 2.67Š| ||
| 215 | N | 40.6 | Very low | 46.9 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -85.5 | 102.9 | 179.9 | -137.6 | 66.8 | 0 | 0 | 0 | 111.5 | K213 | K213-N215 PolarHBondContact O-N 2.71Š| ||
| 216 | K | 41.9 | Very low | 45.9 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -107.8 | 66 | -174.8 | -172.8 | -162.5 | 174.6 | -177.2 | 0 | 110.7 | P214 | P214-K216 PolarHBondContact O-N 2.67Š| ||
| 217 | E | 43.7 | Very low | 45.8 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -134.1 | 117 | -175.8 | -85.6 | 173.1 | -175.6 | 0 | 0 | 113.6 | ||||
| 218 | N | 40.5 | Very low | 45.7 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 46.4 | 94 | 131.9 | -51.3 | -22.3 | 0 | 0 | 0 | 118 | ||||
| 219 | N | 43.8 | Very low | 45.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | trans | -119 | 101.6 | 143.5 | -163.7 | -14.3 | 0 | 0 | 0 | 110.6 | E221 | N219-E221 PolarHBondContact ND2-OE1 2.68Å; N219-E221 WeakPolarHBondContact OD1-CB 3.46Å; N219-E221 WeakPolarHBondContact OD1-CG 3.24Å; N219-E221 PolarHBondContact OD1-N 3.21Å; N219-E221 PolarHBondContact OD1-OE1 2.89Å | ||
| 220 | A | 41.4 | Very low | 45.5 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -99.9 | 51.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 221 | E | 50.4 | Low | 45.3 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | -72.1 | 128.7 | -177.8 | -101 | 168.6 | -131.2 | 0 | 0 | 112.6 | N219 S223 | N219-E221 PolarHBondContact ND2-OE1 2.68Å; N219-E221 WeakPolarHBondContact OD1-CB 3.46Å; N219-E221 WeakPolarHBondContact OD1-CG 3.24Å; N219-E221 PolarHBondContact OD1-N 3.21Å; N219-E221 PolarHBondContact OD1-OE1 2.89Å; E221-S223 PolarHBondContact O-N 2.92Å; E221-S223 VanDerWaalsContact O-N 3.13Å | ||
| 222 | K | 41.3 | Very low | 45.6 | Very low | 199 Ų | 199 | 129.5 Ų | 129.5 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | trans | -86.4 | 86.7 | -165.1 | -170.2 | 174.1 | -176.8 | 174.2 | 0 | 111.1 | L224 | K222-L224 PolarHBondContact O-N 3.14Š| ||
| 223 | S | 42.6 | Very low | 46 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -56.5 | 131 | -177.5 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | E221 | E221-S223 PolarHBondContact O-N 2.92Å; E221-S223 VanDerWaalsContact O-N 3.13Å | ||
| 224 | L | 51.7 | Low | 47.2 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -75 | 143.5 | 173.4 | -63.5 | 169.5 | 0 | 0 | 0 | 110.1 | K222 N226 | K222-L224 PolarHBondContact O-N 3.14Å; L224-N226 PolarHBondContact O-N 3.38Å | ||
| 225 | P | 43.7 | Very low | 49.5 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 66% | 0.662 | 70% | 0.698 | S | S | * | * | trans | -74.3 | 89.8 | -177 | 30 | -35.4 | 0 | 0 | 0 | 112.1 | N227 | P225-N227 VanDerWaalsContact C-N 3.33Å; P225-N227 PolarHBondContact O-N 3.21Å | ||
| 226 | N | 39 | Very low | 51.9 | Low | 123 Ų | 123 | 121.3 Ų | 121.3 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | trans | -77.7 | 82.9 | 170 | -172.2 | 20.2 | 0 | 0 | 0 | 110.1 | L224 N228 A229 | L224-N226 PolarHBondContact O-N 3.38Å; N226-N228 PolarHBondContact O-N 3.12Å; N226-A229 PolarHBondContact O-N 2.82Å | ||
| 227 | N | 45.2 | Very low | 54.4 | Low | 138 Ų | 138 | 114.9 Ų | 114.9 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 25.3 | -166.2 | -72.6 | -28.1 | 0 | 0 | 0 | 117.3 | P225 | P225-N227 VanDerWaalsContact C-N 3.33Å; P225-N227 PolarHBondContact O-N 3.21Å |
| 228 | N | 50.6 | Low | 56.8 | Low | 156 Ų | 156 | 108 Ų | 108 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.8 | 22.3 | 178.8 | -69.4 | -64.3 | 0 | 0 | 0 | 113.6 | N226 | N226-N228 PolarHBondContact O-N 3.12Š|
| 229 | A | 47.9 | Very low | 59.5 | Low | 73 Ų | 73 | 102 Ų | 102 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -154.7 | 23.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N226 S231 | N226-A229 PolarHBondContact O-N 2.82Å; A229-S231 CarbonylContact C-O 3.52Å |
| 230 | A | 47.4 | Very low | 62 | Low | 97 Ų | 97 | 96.4 Ų | 96.4 | 80% | 0.802 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -134.2 | -26.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 231 | S | 48.9 | Very low | 64.7 | Low | 72 Ų | 72 | 94.5 Ų | 94.5 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -77.7 | 149.1 | 136.5 | 69.8 | 0 | 0 | 0 | 0 | 106.5 | A229 | A229-S231 CarbonylContact C-O 3.52Š|
| 232 | D | 54.4 | Low | 66.8 | Low | 66 Ų | 66 | 91 Ų | 91 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | cis | -134.6 | 26 | 36.2 | -51.8 | -51.9 | 0 | 0 | 0 | 114.3 | R234 F235 E284 | D232-R234 PolarHBondContact O-N 3.42Å; D232-F235 HydrophobicContact CB-CD2 4.11Å; D232-F235 PolarHBondContact O-N 3.4Å; D232-E284 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 233 | S | 60.5 | Low | 69.4 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 83% | 0.832 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 5 | -174.2 | -168.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 234 | R | 76.9 | Confident | 71.9 | Confident | 200 Ų | 200 | 77.1 Ų | 77.1 | 76% | 0.755 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -18.3 | 169.4 | -60.7 | -175.6 | -59.4 | 179.6 | 3.2 | 112.8 | D232 | D232-R234 PolarHBondContact O-N 3.42Š|
| 235 | F | 86.2 | Confident | 73.9 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 13% | 0.132 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -108.7 | 148.4 | -171.8 | -54.4 | -43 | 0 | 0 | 0 | 109.9 | D232 H263 E284 Y285 | D232-F235 HydrophobicContact CB-CD2 4.11Å; D232-F235 PolarHBondContact O-N 3.4Å; F235-H263 HydrophobicContact CD1-CB 4.46Å; F235-H263 HydrophobicContact CD2-CB 4.44Å; F235-H263 AromaticContact CD2-CD2 3.51Å; F235-H263 AromaticContact CD2-CG 3.93Å; F235-H263 HydrophobicContact CE1-CB 4.5Å; F235-H263 AromaticContact CE2-CD2 3.23Å; F235-H263 WeakPolarHBondContact CE2-CD2 3.14Å; F235-H263 AromaticContact CE2-CE1 3.71Å; F235-H263 AromaticContact CE2-CG 3.62Å; F235-H263 AromaticContact CE2-ND1 3.89Å; F235-H263 AromaticContact CE2-NE2 3.31Å; F235-H263 VanDerWaalsContact CE2-NE2 3.31Å; F235-H263 WeakPolarHBondContact CE2-NE2 3.36Å; F235-H263 HydrophobicContact CG-CB 4.42Å; F235-H263 AromaticContact CZ-CD2 3.83Å; F235-H263 AromaticContact CZ-CE1 3.71Å; F235-H263 AromaticContact CZ-CG 3.74Å; F235-H263 AromaticContact CZ-ND1 3.66Å; F235-H263 AromaticContact CZ-NE2 3.81Å; F235-E284 HydrophobicContact CB-CG 3.64Å; F235-E284 HydrophobicContact CD2-CG 4.47Å; F235-E284 HydrophobicContact CG-CG 4.34Å; F235-Y285 VanDerWaalsContact CA-O 3.28Å; F235-Y285 WeakPolarHBondContact CA-O 3.24Å; F235-Y285 WeakPolarHBondContact CB-O 3.44Å |
| 236 | T | 91.5 | Very high | 76.2 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 17% | 0.166 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.2 | -179.3 | -59.5 | 0 | 0 | 0 | 0 | 110 | Y285 S288 A291 | T236-Y285 PolarHBondContact N-O 2.94Å; T236-Y285 PolarHBondContact O-N 3.34Å; T236-S288 VanDerWaalsContact OG1-CA 3.23Å; T236-S288 WeakPolarHBondContact OG1-CA 3.11Å; T236-S288 VanDerWaalsContact OG1-CB 3.26Å; T236-S288 WeakPolarHBondContact OG1-CB 3.25Å; T236-S288 PolarHBondContact OG1-OG 3.02Å; T236-A291 HydrophobicContact CG2-CB 3.8Å |
| 237 | R | 94.3 | Very high | 78.8 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 25% | 0.245 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.7 | -176.3 | -169.1 | 171.9 | 178.3 | 131.6 | 0.2 | 110.7 | D266 Y282 V283 V313 | R237-D266 IonicContact CZ-OD2 3.15Å; R237-D266 IonicContact NH2-OD2 2.71Å; R237-D266 PolarHBondContact NH2-OD2 3.03Å; R237-Y282 HydrophobicContact CG-CD1 4.33Å; R237-V283 CarbonylContact C-O 3.58Å; R237-V283 WeakPolarHBondContact CA-O 3.46Å; R237-V313 WeakPolarHBondContact O-CA 3.28Å; R237-V313 PolarHBondContact O-N 2.76Å |
| 238 | V | 95.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.5 | 177 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | I240 Y282 V283 Y285 A291 V295 V310 S311 | V238-I240 HydrophobicContact CG1-CG1 4.46Å; V238-Y282 CarbonylContact O-C 3.57Å; V238-Y282 WeakPolarHBondContact O-CA 3.21Å; V238-V283 PolarHBondContact N-O 2.82Å; V238-V283 PolarHBondContact O-N 3.41Å; V238-Y285 HydrophobicContact CG2-CD2 4.1Å; V238-Y285 HydrophobicContact CG2-CE2 4.06Å; V238-A291 HydrophobicContact CG2-CB 3.21Å; V238-V295 HydrophobicContact CG1-CG2 3.88Å; V238-V295 HydrophobicContact CG2-CG2 3.96Å; V238-V310 HydrophobicContact CG1-CG1 3.3Å; V238-S311 CarbonylContact C-O 3.56Å; V238-S311 WeakPolarHBondContact CA-O 3.25Å |
| 239 | L | 96.5 | Very high | 83.2 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.5 | 167.6 | 165.5 | 66 | 0 | 0 | 0 | 109.3 | E241 Y280 Y282 V310 S311 V313 | L239-E241 HydrophobicContact CD1-CG 4.04Å; L239-E241 HydrophobicContact CD2-CG 3.94Å; L239-E241 HydrophobicContact CG-CG 3.8Å; L239-Y280 HydrophobicContact CD1-CD2 4.11Å; L239-Y282 HydrophobicContact CB-CD1 4.01Å; L239-Y282 HydrophobicContact CB-CE1 4.03Å; L239-Y282 HydrophobicContact CD1-CD1 4.11Å; L239-Y282 HydrophobicContact CD1-CE1 3.75Å; L239-Y282 HydrophobicContact CG-CE1 4.38Å; L239-V310 WeakPolarHBondContact O-CA 3.25Å; L239-S311 PolarHBondContact N-O 2.95Å; L239-S311 PolarHBondContact O-N 3.04Å; L239-S311 PolarHBondContact O-OG 2.92Å; L239-V313 HydrophobicContact CB-CG2 3.35Å; L239-V313 HydrophobicContact CD2-CG2 4.36Å; L239-V313 HydrophobicContact CG-CG2 4.49Å |
| 240 | I | 96.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.6 | 170.7 | -50.2 | 157.3 | 0 | 0 | 0 | 107.7 | V238 L243 I252 F256 Y280 G281 V283 V308 R309 V310 | V238-I240 HydrophobicContact CG1-CG1 4.46Å; I240-L243 HydrophobicContact CB-CD2 4.49Å; I240-L243 HydrophobicContact CG2-CD2 3.57Å; I240-L243 HydrophobicContact CG2-CG 4.12Å; I240-I252 HydrophobicContact CD1-CG2 3.86Å; I240-F256 HydrophobicContact CD1-CD1 4.19Å; I240-F256 HydrophobicContact CD1-CD2 3.79Å; I240-F256 HydrophobicContact CD1-CE1 3.84Å; I240-F256 HydrophobicContact CD1-CE2 3.39Å; I240-F256 HydrophobicContact CD1-CG 4.18Å; I240-F256 HydrophobicContact CD1-CZ 3.43Å; I240-F256 VanDerWaalsContact CD1-CZ 3.43Å; I240-F256 HydrophobicContact CG1-CE1 4Å; I240-F256 HydrophobicContact CG1-CE2 4.16Å; I240-F256 HydrophobicContact CG1-CZ 3.69Å; I240-F256 HydrophobicContact CG2-CZ 4.27Å; I240-Y280 CarbonylContact O-C 3.57Å; I240-Y280 WeakPolarHBondContact O-CA 3.46Å; I240-Y280 WeakPolarHBondContact O-CB 3.25Å; I240-G281 PolarHBondContact N-O 3.44Å; I240-G281 PolarHBondContact O-N 2.78Å; I240-V283 HydrophobicContact CD1-CG2 3.6Å; I240-V308 HydrophobicContact CG2-CB 4.19Å; I240-V308 HydrophobicContact CG2-CG1 4.43Å; I240-R309 CarbonylContact C-O 3.56Å; I240-R309 WeakPolarHBondContact CA-O 3.38Å; I240-V310 HydrophobicContact CG2-CG2 4.31Å |
| 241 | E | 96.6 | Very high | 87.8 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 166.5 | 176.5 | -51.3 | -176.6 | 110.5 | 0 | 0 | 111.8 | L239 L243 V308 R309 | L239-E241 HydrophobicContact CD1-CG 4.04Å; L239-E241 HydrophobicContact CD2-CG 3.94Å; L239-E241 HydrophobicContact CG-CG 3.8Å; E241-L243 VanDerWaalsContact C-N 3.33Å; E241-V308 WeakPolarHBondContact O-CA 3.46Å; E241-R309 HydrophobicContact CB-CB 4.3Å; E241-R309 PolarHBondContact N-O 3.07Å; E241-R309 PolarHBondContact O-N 3.19Å; E241-R309 IonicContact OE1-NH2 2.79Å; E241-R309 IonicContact OE2-CZ 3.34Å; E241-R309 IonicContact OE2-NE 3.97Å; E241-R309 PolarHBondContact OE2-NE 2.83Å; E241-R309 IonicContact OE2-NH2 3.67Å; E241-R309 PolarHBondContact OE2-NH2 2.77Å |
| 242 | K | 96 | Very high | 90 | Very high | 83 Ų | 83 | 59.7 Ų | 59.7 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 57.9 | 41.7 | -174.2 | -52.2 | 176.3 | 174.5 | -179.5 | 0 | 112.2 | G279 Q306 E307 R309 | K242-G279 PolarHBondContact N-O 2.86Å; K242-Q306 VanDerWaalsContact C-NE2 3.31Å; K242-Q306 PolarHBondContact O-NE2 2.91Å; K242-E307 VanDerWaalsContact CB-O 3.3Å; K242-E307 WeakPolarHBondContact CB-O 3.22Å; K242-E307 WeakPolarHBondContact CD-O 3.48Å; K242-E307 IonicContact NZ-OE2 2.68Å; K242-R309 HydrophobicContact CD-CG 4.13Å |
| 243 | L | 95.9 | Very high | 92 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -69.6 | 145.2 | 166.2 | -62.6 | 176.9 | 0 | 0 | 0 | 110.2 | I240 E241 I247 I252 L267 G279 Q306 V308 | I240-L243 HydrophobicContact CB-CD2 4.49Å; I240-L243 HydrophobicContact CG2-CD2 3.57Å; I240-L243 HydrophobicContact CG2-CG 4.12Å; E241-L243 VanDerWaalsContact C-N 3.33Å; L243-I247 HydrophobicContact CB-CD1 4.12Å; L243-I247 HydrophobicContact CD2-CD1 3.83Å; L243-I247 HydrophobicContact CD2-CG2 4.29Å; L243-I252 HydrophobicContact CD1-CD1 3.76Å; L243-L267 HydrophobicContact CD1-CD1 3.72Å; L243-G279 PolarHBondContact N-O 3.26Å; L243-Q306 PolarHBondContact O-NE2 3.44Å; L243-V308 HydrophobicContact CD2-CG1 4.07Å | ||
| 244 | T | 94.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | trans | -69.9 | 158.1 | 163.5 | 76.6 | 0 | 0 | 0 | 0 | 109.7 | N246 I247 N277 D304 Q306 | T244-N246 PolarHBondContact O-N 3.46Å; T244-N246 PolarHBondContact OG1-N 2.77Å; T244-I247 HydrophobicContact CG2-CD1 4.47Å; T244-I247 PolarHBondContact O-N 2.66Å; T244-I247 WeakPolarHBondContact OG1-CG1 3.31Å; T244-N277 PolarHBondContact O-ND2 3.26Å; T244-N277 PolarHBondContact O-OD1 3.16Å; T244-D304 VanDerWaalsContact CB-OD2 3.31Å; T244-D304 WeakPolarHBondContact CB-OD2 3.28Å; T244-D304 HydrophobicContact CG2-CB 3.73Å; T244-D304 WeakPolarHBondContact CG2-OD2 3.47Å; T244-D304 PolarHBondContact OG1-OD2 2.83Å; T244-Q306 HydrophobicContact CG2-CB 3.53Å; T244-Q306 HydrophobicContact CG2-CG 4.36Å | ||
| 245 | K | 92.7 | Very high | 94.6 | Very high | 124 Ų | 124 | 54.2 Ų | 54.2 | 54% | 0.539 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.2 | 179.7 | -69.6 | -172 | 179 | -173.7 | 0 | 114.3 | F276 | K245-F276 HydrophobicContact CB-CB 4.05Å; K245-F276 HydrophobicContact CB-CD1 4.13Å; K245-F276 HydrophobicContact CB-CG 4.08Å; K245-F276 HydrophobicContact CD-CB 4.41Å; K245-F276 HydrophobicContact CD-CD2 4.34Å; K245-F276 HydrophobicContact CD-CG 4.35Å; K245-F276 HydrophobicContact CG-CB 4.4Å |
| 246 | N | 91.7 | Very high | 95.1 | Very high | 103 Ų | 103 | 52.8 Ų | 52.8 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.8 | -175.2 | -53.3 | -22.7 | 0 | 0 | 0 | 112.7 | T244 T248 D304 | T244-N246 PolarHBondContact O-N 3.46Å; T244-N246 PolarHBondContact OG1-N 2.77Å; N246-T248 PolarHBondContact O-N 2.82Å; N246-D304 PolarHBondContact ND2-OD2 2.96Å |
| 247 | I | 94.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -69.1 | 117 | -177.5 | -70.4 | 164.5 | 0 | 0 | 0 | 109.7 | L243 T244 H251 I252 L267 N277 I303 D304 | L243-I247 HydrophobicContact CB-CD1 4.12Å; L243-I247 HydrophobicContact CD2-CD1 3.83Å; L243-I247 HydrophobicContact CD2-CG2 4.29Å; T244-I247 HydrophobicContact CG2-CD1 4.47Å; T244-I247 PolarHBondContact O-N 2.66Å; T244-I247 WeakPolarHBondContact OG1-CG1 3.31Å; I247-H251 HydrophobicContact CG2-CB 4.4Å; I247-I252 HydrophobicContact CG2-CD1 3.94Å; I247-I252 HydrophobicContact CG2-CG1 3.47Å; I247-I252 VanDerWaalsContact CG2-CG1 3.47Å; I247-L267 WeakPolarHBondContact O-CD2 3.41Å; I247-N277 PolarHBondContact O-ND2 3.4Å; I247-I303 HydrophobicContact CD1-CB 4Å; I247-I303 HydrophobicContact CD1-CG2 3.46Å; I247-I303 VanDerWaalsContact CD1-CG2 3.46Å; I247-I303 HydrophobicContact CG1-CG2 4.04Å; I247-D304 HydrophobicContact CD1-CB 4.21Å; I247-D304 HydrophobicContact CG1-CB 4.17Å | ||
| 248 | T | 94.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | trans | -89.6 | 168 | 176.6 | 71 | 0 | 0 | 0 | 0 | 111 | N246 V250 H251 I252 | N246-T248 PolarHBondContact O-N 2.82Å; T248-V250 PolarHBondContact O-N 3.1Å; T248-V250 PolarHBondContact OG1-N 3.46Å; T248-H251 PolarHBondContact O-N 3.18Å; T248-H251 PolarHBondContact OG1-CD2 3.22Å; T248-H251 PolarHBondContact OG1-N 3.19Å; T248-H251 PolarHBondContact OG1-NE2 3.2Å; T248-I252 PolarHBondContact O-N 3.36Å | ||
| 249 | K | 94.4 | Very high | 95.4 | Very high | 101 Ų | 101 | 59.2 Ų | 59.2 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.8 | -33.3 | 170.8 | 169.6 | 165 | 171.6 | 154.9 | 0 | 112.2 | I252 Q253 V265 L267 | K249-I252 PolarHBondContact O-N 3.44Å; K249-Q253 WeakPolarHBondContact O-CB 3.34Å; K249-Q253 PolarHBondContact O-N 2.98Å; K249-V265 HydrophobicContact CD-CB 4.18Å; K249-V265 HydrophobicContact CD-CG1 4.5Å; K249-V265 WeakPolarHBondContact CE-O 3.01Å; K249-V265 HydrophobicContact CG-CB 4.08Å; K249-V265 HydrophobicContact CG-CG1 4.07Å; K249-V265 PolarHBondContact NZ-O 2.98Å; K249-L267 HydrophobicContact CB-CD2 4.47Å |
| 250 | V | 95.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 59 Ų | 59 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -49.7 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | T248 I252 Q253 E254 | T248-V250 PolarHBondContact O-N 3.1Å; T248-V250 PolarHBondContact OG1-N 3.46Å; V250-I252 VanDerWaalsContact C-N 3.28Å; V250-I252 PolarHBondContact O-N 3.44Å; V250-Q253 PolarHBondContact O-N 3.34Å; V250-E254 HydrophobicContact CG1-CG 4.32Å; V250-E254 WeakPolarHBondContact CG1-OE1 3.26Å; V250-E254 WeakPolarHBondContact O-CG 3.34Å; V250-E254 PolarHBondContact O-N 2.92Å |
| 251 | H | 95.5 | Very high | 95.3 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | -179.9 | -50.3 | 167.2 | 0 | 0 | 0 | 111.7 | I247 T248 I255 | I247-H251 HydrophobicContact CG2-CB 4.4Å; T248-H251 PolarHBondContact O-N 3.18Å; T248-H251 PolarHBondContact OG1-CD2 3.22Å; T248-H251 PolarHBondContact OG1-N 3.19Å; T248-H251 PolarHBondContact OG1-NE2 3.2Å; H251-I255 WeakPolarHBondContact O-CB 3.23Å; H251-I255 WeakPolarHBondContact O-CD1 3.43Å; H251-I255 WeakPolarHBondContact O-CG1 3.39Å; H251-I255 PolarHBondContact O-N 2.75Å |
| 252 | I | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 174.5 | -62.1 | 178.3 | 0 | 0 | 0 | 110.4 | I240 L243 I247 T248 K249 V250 E254 I255 F256 V265 L267 V283 | I240-I252 HydrophobicContact CD1-CG2 3.86Å; L243-I252 HydrophobicContact CD1-CD1 3.76Å; I247-I252 HydrophobicContact CG2-CD1 3.94Å; I247-I252 HydrophobicContact CG2-CG1 3.47Å; I247-I252 VanDerWaalsContact CG2-CG1 3.47Å; T248-I252 PolarHBondContact O-N 3.36Å; K249-I252 PolarHBondContact O-N 3.44Å; V250-I252 VanDerWaalsContact C-N 3.28Å; V250-I252 PolarHBondContact O-N 3.44Å; I252-E254 PolarHBondContact O-N 2.97Å; I252-I255 PolarHBondContact O-N 2.9Å; I252-F256 HydrophobicContact CG2-CD2 3.93Å; I252-F256 VanDerWaalsContact O-CB 3.31Å; I252-F256 WeakPolarHBondContact O-CB 3.38Å; I252-F256 WeakPolarHBondContact O-CD2 3.34Å; I252-F256 PolarHBondContact O-N 3.03Å; I252-V265 HydrophobicContact CB-CG1 4.19Å; I252-V265 HydrophobicContact CG2-CG1 3.8Å; I252-L267 HydrophobicContact CD1-CB 4.46Å; I252-L267 HydrophobicContact CD1-CD1 3.6Å; I252-L267 HydrophobicContact CD1-CD2 3.81Å; I252-L267 HydrophobicContact CD1-CG 4.16Å; I252-V283 HydrophobicContact CG2-CG2 3.37Å |
| 253 | Q | 96.5 | Very high | 95.2 | Very high | 100 Ų | 100 | 64.8 Ų | 64.8 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 179.8 | -174.7 | 173.5 | -15.2 | 0 | 0 | 111.8 | K249 V250 S257 I262 V265 | K249-Q253 WeakPolarHBondContact O-CB 3.34Å; K249-Q253 PolarHBondContact O-N 2.98Å; V250-Q253 PolarHBondContact O-N 3.34Å; Q253-S257 WeakPolarHBondContact O-CB 3.16Å; Q253-S257 PolarHBondContact O-N 3.5Å; Q253-S257 PolarHBondContact O-OG 2.85Å; Q253-I262 HydrophobicContact CG-CD1 4.41Å; Q253-V265 HydrophobicContact CB-CG2 4.28Å |
| 254 | E | 96.5 | Very high | 95.1 | Very high | 117 Ų | 117 | 66.3 Ų | 66.3 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -55.1 | 176.2 | -71 | 166.4 | 160 | 0 | 0 | 111.1 | V250 I252 F256 S257 | V250-E254 HydrophobicContact CG1-CG 4.32Å; V250-E254 WeakPolarHBondContact CG1-OE1 3.26Å; V250-E254 WeakPolarHBondContact O-CG 3.34Å; V250-E254 PolarHBondContact O-N 2.92Å; I252-E254 PolarHBondContact O-N 2.97Å; E254-F256 PolarHBondContact O-N 3.2Å; E254-S257 PolarHBondContact O-N 3.25Å; E254-S257 PolarHBondContact O-OG 3.13Å |
| 255 | I | 95.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 66 Ų | 66 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | -177.2 | -67.5 | 166.6 | 0 | 0 | 0 | 111 | H251 I252 S257 V258 W259 M298 I303 | H251-I255 WeakPolarHBondContact O-CB 3.23Å; H251-I255 WeakPolarHBondContact O-CD1 3.43Å; H251-I255 WeakPolarHBondContact O-CG1 3.39Å; H251-I255 PolarHBondContact O-N 2.75Å; I252-I255 PolarHBondContact O-N 2.9Å; I255-S257 VanDerWaalsContact C-N 3.34Å; I255-S257 PolarHBondContact O-N 3.21Å; I255-V258 WeakPolarHBondContact O-CG2 3.49Å; I255-W259 HydrophobicContact CG2-CH2 4.38Å; I255-W259 HydrophobicContact CG2-CZ3 4.24Å; I255-W259 WeakPolarHBondContact O-CZ3 3.43Å; I255-M298 HydrophobicContact CG2-CE 3.91Å; I255-I303 HydrophobicContact CD1-CD1 4.14Å; I255-I303 HydrophobicContact CD1-CG1 4.33Å; I255-I303 HydrophobicContact CD1-CG2 3.51Å; I255-I303 HydrophobicContact CG2-CD1 4.23Å |
| 256 | F | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -80 | -13.3 | -173.5 | -76.7 | -94.2 | 0 | 0 | 0 | 113.9 | I240 I252 E254 V258 W259 I262 V283 Y285 A294 M298 I303 V310 | I240-F256 HydrophobicContact CD1-CD1 4.19Å; I240-F256 HydrophobicContact CD1-CD2 3.79Å; I240-F256 HydrophobicContact CD1-CE1 3.84Å; I240-F256 HydrophobicContact CD1-CE2 3.39Å; I240-F256 HydrophobicContact CD1-CG 4.18Å; I240-F256 HydrophobicContact CD1-CZ 3.43Å; I240-F256 VanDerWaalsContact CD1-CZ 3.43Å; I240-F256 HydrophobicContact CG1-CE1 4Å; I240-F256 HydrophobicContact CG1-CE2 4.16Å; I240-F256 HydrophobicContact CG1-CZ 3.69Å; I240-F256 HydrophobicContact CG2-CZ 4.27Å; I252-F256 HydrophobicContact CG2-CD2 3.93Å; I252-F256 VanDerWaalsContact O-CB 3.31Å; I252-F256 WeakPolarHBondContact O-CB 3.38Å; I252-F256 WeakPolarHBondContact O-CD2 3.34Å; I252-F256 PolarHBondContact O-N 3.03Å; E254-F256 PolarHBondContact O-N 3.2Å; F256-V258 PolarHBondContact O-N 2.77Å; F256-W259 HydrophobicContact CD1-CE3 4.11Å; F256-W259 HydrophobicContact CD1-CZ3 4.05Å; F256-W259 HydrophobicContact CE1-CZ3 4.4Å; F256-W259 HydrophobicContact CG-CZ3 4.26Å; F256-I262 HydrophobicContact CB-CD1 3.83Å; F256-V283 HydrophobicContact CB-CG1 4.25Å; F256-V283 HydrophobicContact CB-CG2 4.17Å; F256-V283 HydrophobicContact CG-CG2 4.16Å; F256-Y285 WeakPolarHBondContact CB-OH 3.35Å; F256-Y285 WeakPolarHBondContact CD1-OH 3.39Å; F256-Y285 WeakPolarHBondContact O-CE1 3.22Å; F256-Y285 PolarHBondContact O-OH 3.34Å; F256-A294 HydrophobicContact CD1-CB 4.45Å; F256-M298 HydrophobicContact CE1-CB 4.16Å; F256-M298 HydrophobicContact CE1-CG 4.22Å; F256-M298 HydrophobicContact CE2-CE 4.49Å; F256-M298 HydrophobicContact CZ-CB 4.25Å; F256-M298 HydrophobicContact CZ-CE 4.23Å; F256-M298 HydrophobicContact CZ-CG 4.32Å; F256-I303 HydrophobicContact CE2-CD1 3.81Å; F256-I303 HydrophobicContact CZ-CD1 4.34Å; F256-V310 HydrophobicContact CE1-CG1 4.19Å; F256-V310 HydrophobicContact CE1-CG2 4.34Å; F256-V310 HydrophobicContact CZ-CG2 4.18Å |
| 257 | S | 96 | Very high | 95.3 | Very high | 65 Ų | 65 | 59.7 Ų | 59.7 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -64 | -20.9 | 173.9 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | Q253 E254 I255 W259 G260 | Q253-S257 WeakPolarHBondContact O-CB 3.16Å; Q253-S257 PolarHBondContact O-N 3.5Å; Q253-S257 PolarHBondContact O-OG 2.85Å; E254-S257 PolarHBondContact O-N 3.25Å; E254-S257 PolarHBondContact O-OG 3.13Å; I255-S257 VanDerWaalsContact C-N 3.34Å; I255-S257 PolarHBondContact O-N 3.21Å; S257-W259 PolarHBondContact O-N 3.32Å; S257-G260 PolarHBondContact O-N 3.33Å |
| 258 | V | 96.1 | Very high | 95.3 | Very high | 111 Ų | 111 | 60.6 Ų | 60.6 | 67% | 0.673 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -61.2 | -28.3 | -177.5 | 179.1 | 0 | 0 | 0 | 0 | 112.9 | I255 F256 | I255-V258 WeakPolarHBondContact O-CG2 3.49Å; F256-V258 PolarHBondContact O-N 2.77Å |
| 259 | W | 95.2 | Very high | 95.2 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -95.2 | -10.5 | -179.6 | -60.5 | -75.8 | 0 | 0 | 0 | 114.3 | I255 F256 S257 S290 A294 F297 M298 | I255-W259 HydrophobicContact CG2-CH2 4.38Å; I255-W259 HydrophobicContact CG2-CZ3 4.24Å; I255-W259 WeakPolarHBondContact O-CZ3 3.43Å; F256-W259 HydrophobicContact CD1-CE3 4.11Å; F256-W259 HydrophobicContact CD1-CZ3 4.05Å; F256-W259 HydrophobicContact CE1-CZ3 4.4Å; F256-W259 HydrophobicContact CG-CZ3 4.26Å; S257-W259 PolarHBondContact O-N 3.32Å; W259-S290 WeakPolarHBondContact O-CB 3.46Å; W259-S290 PolarHBondContact O-OG 3.1Å; W259-A294 HydrophobicContact CB-CB 3.77Å; W259-A294 HydrophobicContact CD2-CB 3.93Å; W259-A294 HydrophobicContact CE3-CB 3.93Å; W259-A294 HydrophobicContact CG-CB 3.81Å; W259-F297 AromaticContact CD1-CD2 3.83Å; W259-F297 HydrophobicContact CZ2-CB 4.32Å; W259-F297 AromaticContact NE1-CD2 3.57Å; W259-F297 AromaticContact NE1-CG 3.89Å; W259-M298 HydrophobicContact CE3-CG 4.24Å; W259-M298 HydrophobicContact CH2-CE 4.39Å; W259-M298 HydrophobicContact CH2-CG 3.1Å; W259-M298 HydrophobicContact CH2-SD 3.4Å; W259-M298 WeakPolarHBondContact CH2-SD 3.5Å; W259-M298 HydrophobicContact CZ2-CG 3.53Å; W259-M298 HydrophobicContact CZ2-SD 3.92Å; W259-M298 HydrophobicContact CZ3-CG 3.46Å; W259-M298 VanDerWaalsContact CZ3-CG 3.46Å; W259-M298 HydrophobicContact CZ3-SD 4.2Å |
| 260 | G | 95 | Very high | 95.1 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 153.9 | -178.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S257 I262 | S257-G260 PolarHBondContact O-N 3.33Å; G260-I262 PolarHBondContact O-N 3.49Å |
| 261 | E | 96.1 | Very high | 94.9 | Very high | 140 Ų | 140 | 65.1 Ų | 65.1 | 65% | 0.654 | 33% | 0.332 | S | S | * | . | trans | -70.3 | 123.6 | -177.1 | -168.4 | 179.4 | 156.2 | 0 | 0 | 111.8 | Y285 V286 | E261-Y285 WeakPolarHBondContact O-CA 3.44Å; E261-V286 HydrophobicContact CB-CB 4.26Å; E261-V286 HydrophobicContact CB-CG2 3.98Å; E261-V286 HydrophobicContact CG-CG2 3.84Å; E261-V286 PolarHBondContact O-N 3.24Å | ||
| 262 | I | 95.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.6 | 176.4 | -62.6 | 174.3 | 0 | 0 | 0 | 109 | Q253 F256 G260 S264 V265 V283 E284 Y285 | Q253-I262 HydrophobicContact CG-CD1 4.41Å; F256-I262 HydrophobicContact CB-CD1 3.83Å; G260-I262 PolarHBondContact O-N 3.49Å; I262-S264 WeakPolarHBondContact CG2-O 3.41Å; I262-V265 HydrophobicContact CG2-CG2 3.64Å; I262-V283 HydrophobicContact CB-CG1 4.45Å; I262-V283 HydrophobicContact CD1-CG1 3.84Å; I262-V283 HydrophobicContact CG1-CG1 3.77Å; I262-V283 HydrophobicContact CG2-CG1 3.91Å; I262-E284 CarbonylContact C-O 3.56Å; I262-E284 WeakPolarHBondContact CA-O 3.43Å; I262-Y285 HydrophobicContact CG1-CD1 4.25Å; I262-Y285 HydrophobicContact CG1-CE1 3.92Å |
| 263 | H | 94 | Very high | 94.2 | Very high | 99 Ų | 99 | 71.9 Ų | 71.9 | 46% | 0.458 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -46.2 | 170.5 | -172.5 | 61.7 | 0 | 0 | 0 | 111.8 | F235 E284 V286 | F235-H263 HydrophobicContact CD1-CB 4.46Å; F235-H263 HydrophobicContact CD2-CB 4.44Å; F235-H263 AromaticContact CD2-CD2 3.51Å; F235-H263 AromaticContact CD2-CG 3.93Å; F235-H263 HydrophobicContact CE1-CB 4.5Å; F235-H263 AromaticContact CE2-CD2 3.23Å; F235-H263 WeakPolarHBondContact CE2-CD2 3.14Å; F235-H263 AromaticContact CE2-CE1 3.71Å; F235-H263 AromaticContact CE2-CG 3.62Å; F235-H263 AromaticContact CE2-ND1 3.89Å; F235-H263 AromaticContact CE2-NE2 3.31Å; F235-H263 VanDerWaalsContact CE2-NE2 3.31Å; F235-H263 WeakPolarHBondContact CE2-NE2 3.36Å; F235-H263 HydrophobicContact CG-CB 4.42Å; F235-H263 AromaticContact CZ-CD2 3.83Å; F235-H263 AromaticContact CZ-CE1 3.71Å; F235-H263 AromaticContact CZ-CG 3.74Å; F235-H263 AromaticContact CZ-ND1 3.66Å; F235-H263 AromaticContact CZ-NE2 3.81Å; H263-E284 HydrophobicContact CB-CG 4.25Å; H263-E284 IonicContact CD2-OE2 3.63Å; H263-E284 PolarHBondContact N-O 2.98Å; H263-V286 HydrophobicContact CB-CG2 4.09Å |
| 264 | S | 93.9 | Very high | 93.8 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.2 | 178.2 | 95.3 | 0 | 0 | 0 | 0 | 113.9 | I262 E284 | I262-S264 WeakPolarHBondContact CG2-O 3.41Å; S264-E284 WeakPolarHBondContact CB-OE2 3.49Å; S264-E284 PolarHBondContact N-O 3.12Å; S264-E284 PolarHBondContact O-N 2.98Å; S264-E284 PolarHBondContact OG-OE2 2.97Å |
| 265 | V | 95.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 5% | 0.048 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.6 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 108 | K249 I252 Q253 I262 Y282 V283 | K249-V265 HydrophobicContact CD-CB 4.18Å; K249-V265 HydrophobicContact CD-CG1 4.5Å; K249-V265 WeakPolarHBondContact CE-O 3.01Å; K249-V265 HydrophobicContact CG-CB 4.08Å; K249-V265 HydrophobicContact CG-CG1 4.07Å; K249-V265 PolarHBondContact NZ-O 2.98Å; I252-V265 HydrophobicContact CB-CG1 4.19Å; I252-V265 HydrophobicContact CG2-CG1 3.8Å; Q253-V265 HydrophobicContact CB-CG2 4.28Å; I262-V265 HydrophobicContact CG2-CG2 3.64Å; V265-Y282 WeakPolarHBondContact CA-O 3.08Å; V265-V283 HydrophobicContact CG1-CG2 4.4Å; V265-V283 HydrophobicContact CG2-CG2 4.36Å |
| 266 | D | 94.8 | Very high | 93 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 34% | 0.342 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 108.6 | 176.5 | 168.4 | 25.6 | 0 | 0 | 0 | 108.1 | R237 P268 G281 Y282 | R237-D266 IonicContact CZ-OD2 3.15Å; R237-D266 IonicContact NH2-OD2 2.71Å; R237-D266 PolarHBondContact NH2-OD2 3.03Å; D266-P268 WeakPolarHBondContact O-CD 3.3Å; D266-G281 CarbonylContact O-C 3.51Å; D266-G281 WeakPolarHBondContact O-CA 3.4Å; D266-Y282 HydrophobicContact CB-CD2 4.42Å; D266-Y282 PolarHBondContact N-O 3.37Å; D266-Y282 PolarHBondContact O-N 3.32Å; D266-Y282 WeakPolarHBondContact OD2-CD2 3.48Å |
| 267 | L | 94.6 | Very high | 92.8 | Very high | 31 Ų | 31 | 75.3 Ų | 75.3 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | trans | -118.1 | 89.9 | -179.6 | -176.5 | 61.3 | 0 | 0 | 0 | 109.1 | L243 I247 K249 I252 P269 N277 Y280 | L243-L267 HydrophobicContact CD1-CD1 3.72Å; I247-L267 WeakPolarHBondContact O-CD2 3.41Å; K249-L267 HydrophobicContact CB-CD2 4.47Å; I252-L267 HydrophobicContact CD1-CB 4.46Å; I252-L267 HydrophobicContact CD1-CD1 3.6Å; I252-L267 HydrophobicContact CD1-CD2 3.81Å; I252-L267 HydrophobicContact CD1-CG 4.16Å; L267-P269 WeakPolarHBondContact O-CD 3.47Å; L267-N277 HydrophobicContact CD1-CB 3.7Å; L267-N277 HydrophobicContact CD2-CB 3.99Å; L267-N277 HydrophobicContact CG-CB 3.8Å; L267-Y280 WeakPolarHBondContact CD1-O 3.38Å | ||
| 268 | P | 93.2 | Very high | 92.7 | Very high | 23 Ų | 23 | 78.1 Ų | 78.1 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 123 | -177.7 | -28.2 | 38 | 0 | 0 | 0 | 111.8 | D266 R278 Y280 | D266-P268 WeakPolarHBondContact O-CD 3.3Å; P268-R278 VanDerWaalsContact O-CB 3.27Å; P268-R278 WeakPolarHBondContact O-CB 3.08Å; P268-R278 PolarHBondContact O-N 2.97Å; P268-Y280 HydrophobicContact CB-CE2 4.43Å; P268-Y280 HydrophobicContact CG-CE2 3.87Å |
| 269 | P | 92.8 | Very high | 92.6 | Very high | 76 Ų | 76 | 74 Ų | 74 | 49% | 0.494 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 158.4 | 175.7 | 29.8 | -35.5 | 0 | 0 | 0 | 111.3 | L267 F276 | L267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-F276 WeakPolarHBondContact CA-O 3.34Å |
| 270 | D | 92.3 | Very high | 92.6 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.214 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 151.1 | 173.9 | 178 | 49.7 | 0 | 0 | 0 | 112.1 | I272 H273 F276 | D270-I272 VanDerWaalsContact C-N 3.34Å; D270-I272 WeakPolarHBondContact OD2-CA 3.24Å; D270-I272 VanDerWaalsContact OD2-CB 3.3Å; D270-I272 WeakPolarHBondContact OD2-CB 3.34Å; D270-I272 PolarHBondContact OD2-N 2.84Å; D270-H273 IonicContact OD2-CD2 3.99Å; D270-H273 PolarHBondContact OD2-N 3.41Å; D270-H273 VanDerWaalsContact OD2-N 3.08Å; D270-F276 PolarHBondContact N-O 3.38Å |
| 271 | R | 90.6 | Very high | 92.7 | Very high | 222 Ų | 222 | 72.9 Ų | 72.9 | 84% | 0.838 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -75.3 | -20.8 | -178.7 | -67.2 | -177 | 173.4 | -167.4 | -2.9 | 113.7 | ||
| 272 | I | 89.9 | Confident | 92.7 | Very high | 132 Ų | 132 | 69 Ų | 69 | 68% | 0.677 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -97.6 | -42.8 | -179.8 | -49.3 | 178.5 | 0 | 0 | 0 | 109.5 | D270 | D270-I272 VanDerWaalsContact C-N 3.34Å; D270-I272 WeakPolarHBondContact OD2-CA 3.24Å; D270-I272 VanDerWaalsContact OD2-CB 3.3Å; D270-I272 WeakPolarHBondContact OD2-CB 3.34Å; D270-I272 PolarHBondContact OD2-N 2.84Å |
| 273 | H | 88.5 | Confident | 92.7 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | trans | -123.8 | 94.4 | -178.3 | -59 | -84 | 0 | 0 | 0 | 110.9 | D270 E275 F276 | D270-H273 IonicContact OD2-CD2 3.99Å; D270-H273 PolarHBondContact OD2-N 3.41Å; D270-H273 VanDerWaalsContact OD2-N 3.08Å; H273-E275 PolarHBondContact O-N 3.1Å; H273-E275 VanDerWaalsContact O-N 3.12Å; H273-F276 HydrophobicContact CB-CB 4.48Å; H273-F276 HydrophobicContact CB-CD2 3.5Å; H273-F276 VanDerWaalsContact CB-CD2 3.5Å; H273-F276 HydrophobicContact CB-CE2 4.11Å; H273-F276 HydrophobicContact CB-CG 4.36Å; H273-F276 PolarHBondContact O-N 3.29Å | ||
| 274 | P | 87.5 | Confident | 92.8 | Very high | 109 Ų | 109 | 63.3 Ų | 63.3 | 71% | 0.708 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8.2 | -174.7 | 29.3 | -36.4 | 0 | 0 | 0 | 114.5 | ||
| 275 | E | 85.7 | Confident | 92.8 | Very high | 164 Ų | 164 | 61.5 Ų | 61.5 | 77% | 0.766 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -33.9 | 168.9 | 177.5 | 178.3 | -153.1 | 0 | 0 | 112.2 | H273 | H273-E275 PolarHBondContact O-N 3.1Å; H273-E275 VanDerWaalsContact O-N 3.12Å |
| 276 | F | 90.4 | Very high | 92.8 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -97.6 | 147.9 | -176.3 | -57.6 | -46 | 0 | 0 | 0 | 111.3 | K245 P269 D270 H273 | K245-F276 HydrophobicContact CB-CB 4.05Å; K245-F276 HydrophobicContact CB-CD1 4.13Å; K245-F276 HydrophobicContact CB-CG 4.08Å; K245-F276 HydrophobicContact CD-CB 4.41Å; K245-F276 HydrophobicContact CD-CD2 4.34Å; K245-F276 HydrophobicContact CD-CG 4.35Å; K245-F276 HydrophobicContact CG-CB 4.4Å; P269-F276 WeakPolarHBondContact CA-O 3.34Å; D270-F276 PolarHBondContact N-O 3.38Å; H273-F276 HydrophobicContact CB-CB 4.48Å; H273-F276 HydrophobicContact CB-CD2 3.5Å; H273-F276 VanDerWaalsContact CB-CD2 3.5Å; H273-F276 HydrophobicContact CB-CE2 4.11Å; H273-F276 HydrophobicContact CB-CG 4.36Å; H273-F276 PolarHBondContact O-N 3.29Å |
| 277 | N | 92.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 165.7 | 170.4 | 71.2 | 45.4 | 0 | 0 | 0 | 111.8 | T244 I247 L267 G279 | T244-N277 PolarHBondContact O-ND2 3.26Å; T244-N277 PolarHBondContact O-OD1 3.16Å; I247-N277 PolarHBondContact O-ND2 3.4Å; L267-N277 HydrophobicContact CD1-CB 3.7Å; L267-N277 HydrophobicContact CD2-CB 3.99Å; L267-N277 HydrophobicContact CG-CB 3.8Å; N277-G279 PolarHBondContact O-N 2.8Å; N277-G279 WeakPolarHBondContact OD1-CA 3.37Å; N277-G279 PolarHBondContact OD1-N 3.25Å |
| 278 | R | 93.3 | Very high | 92.6 | Very high | 123 Ų | 123 | 66.5 Ų | 66.5 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | trans | -84.6 | 15.8 | 178.4 | -159.7 | 171.7 | 166.8 | -133.7 | -8 | 114.1 | P268 Y280 | P268-R278 VanDerWaalsContact O-CB 3.27Å; P268-R278 WeakPolarHBondContact O-CB 3.08Å; P268-R278 PolarHBondContact O-N 2.97Å; R278-Y280 HydrophobicContact CB-CD1 4.2Å; R278-Y280 HydrophobicContact CB-CE1 3.85Å; R278-Y280 HydrophobicContact CG-CD1 4.29Å; R278-Y280 HydrophobicContact CG-CE1 3.71Å; R278-Y280 PolarHBondContact NH1-OH 3.37Å; R278-Y280 PolarHBondContact O-N 3.07Å | ||
| 279 | G | 94.1 | Very high | 92.6 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 75.5 | 6.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K242 L243 N277 | K242-G279 PolarHBondContact N-O 2.86Å; L243-G279 PolarHBondContact N-O 3.26Å; N277-G279 PolarHBondContact O-N 2.8Å; N277-G279 WeakPolarHBondContact OD1-CA 3.37Å; N277-G279 PolarHBondContact OD1-N 3.25Å |
| 280 | Y | 95.8 | Very high | 92.7 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157.3 | 172.1 | 73.4 | -90.8 | 0 | 0 | 0 | 110 | L239 I240 L267 P268 R278 Y282 | L239-Y280 HydrophobicContact CD1-CD2 4.11Å; I240-Y280 CarbonylContact O-C 3.57Å; I240-Y280 WeakPolarHBondContact O-CA 3.46Å; I240-Y280 WeakPolarHBondContact O-CB 3.25Å; L267-Y280 WeakPolarHBondContact CD1-O 3.38Å; P268-Y280 HydrophobicContact CB-CE2 4.43Å; P268-Y280 HydrophobicContact CG-CE2 3.87Å; R278-Y280 HydrophobicContact CB-CD1 4.2Å; R278-Y280 HydrophobicContact CB-CE1 3.85Å; R278-Y280 HydrophobicContact CG-CD1 4.29Å; R278-Y280 HydrophobicContact CG-CE1 3.71Å; R278-Y280 PolarHBondContact NH1-OH 3.37Å; R278-Y280 PolarHBondContact O-N 3.07Å; Y280-Y282 HydrophobicContact CD2-CE2 4.2Å; Y280-Y282 AromaticContact CE2-CE2 3.84Å; Y280-Y282 HydrophobicContact CE2-CE2 3.84Å |
| 281 | G | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I240 D266 | I240-G281 PolarHBondContact N-O 3.44Å; I240-G281 PolarHBondContact O-N 2.78Å; D266-G281 CarbonylContact O-C 3.51Å; D266-G281 WeakPolarHBondContact O-CA 3.4Å |
| 282 | Y | 96.4 | Very high | 93.1 | Very high | 58 Ų | 58 | 59 Ų | 59 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.1 | 176.6 | -53 | -89 | 0 | 0 | 0 | 110.9 | R237 V238 L239 V265 D266 Y280 V313 | R237-Y282 HydrophobicContact CG-CD1 4.33Å; V238-Y282 CarbonylContact O-C 3.57Å; V238-Y282 WeakPolarHBondContact O-CA 3.21Å; L239-Y282 HydrophobicContact CB-CD1 4.01Å; L239-Y282 HydrophobicContact CB-CE1 4.03Å; L239-Y282 HydrophobicContact CD1-CD1 4.11Å; L239-Y282 HydrophobicContact CD1-CE1 3.75Å; L239-Y282 HydrophobicContact CG-CE1 4.38Å; V265-Y282 WeakPolarHBondContact CA-O 3.08Å; D266-Y282 HydrophobicContact CB-CD2 4.42Å; D266-Y282 PolarHBondContact N-O 3.37Å; D266-Y282 PolarHBondContact O-N 3.32Å; D266-Y282 WeakPolarHBondContact OD2-CD2 3.48Å; Y280-Y282 HydrophobicContact CD2-CE2 4.2Å; Y280-Y282 AromaticContact CE2-CE2 3.84Å; Y280-Y282 HydrophobicContact CE2-CE2 3.84Å; Y282-V313 HydrophobicContact CE1-CG2 4.4Å |
| 283 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141 | 168.7 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | R237 V238 I240 I252 F256 I262 V265 Y285 | R237-V283 CarbonylContact C-O 3.58Å; R237-V283 WeakPolarHBondContact CA-O 3.46Å; V238-V283 PolarHBondContact N-O 2.82Å; V238-V283 PolarHBondContact O-N 3.41Å; I240-V283 HydrophobicContact CD1-CG2 3.6Å; I252-V283 HydrophobicContact CG2-CG2 3.37Å; F256-V283 HydrophobicContact CB-CG1 4.25Å; F256-V283 HydrophobicContact CB-CG2 4.17Å; F256-V283 HydrophobicContact CG-CG2 4.16Å; I262-V283 HydrophobicContact CB-CG1 4.45Å; I262-V283 HydrophobicContact CD1-CG1 3.84Å; I262-V283 HydrophobicContact CG1-CG1 3.77Å; I262-V283 HydrophobicContact CG2-CG1 3.91Å; V265-V283 HydrophobicContact CG1-CG2 4.4Å; V265-V283 HydrophobicContact CG2-CG2 4.36Å; V283-Y285 HydrophobicContact CB-CE2 4.33Å; V283-Y285 HydrophobicContact CG1-CD2 3.91Å; V283-Y285 HydrophobicContact CG1-CE2 3.53Å |
| 284 | E | 95 | Very high | 93.7 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116 | -179.2 | 178.1 | 175.1 | -136.6 | 0 | 0 | 108.5 | D232 F235 I262 H263 S264 | D232-E284 WeakPolarHBondContact CB-OE1 3.43Å; F235-E284 HydrophobicContact CB-CG 3.64Å; F235-E284 HydrophobicContact CD2-CG 4.47Å; F235-E284 HydrophobicContact CG-CG 4.34Å; I262-E284 CarbonylContact C-O 3.56Å; I262-E284 WeakPolarHBondContact CA-O 3.43Å; H263-E284 HydrophobicContact CB-CG 4.25Å; H263-E284 IonicContact CD2-OE2 3.63Å; H263-E284 PolarHBondContact N-O 2.98Å; S264-E284 WeakPolarHBondContact CB-OE2 3.49Å; S264-E284 PolarHBondContact N-O 3.12Å; S264-E284 PolarHBondContact O-N 2.98Å; S264-E284 PolarHBondContact OG-OE2 2.97Å |
| 285 | Y | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 145.8 | -177.8 | -73.8 | -88.5 | 0 | 0 | 0 | 112 | F235 T236 V238 F256 E261 I262 V283 D287 A291 A294 | F235-Y285 VanDerWaalsContact CA-O 3.28Å; F235-Y285 WeakPolarHBondContact CA-O 3.24Å; F235-Y285 WeakPolarHBondContact CB-O 3.44Å; T236-Y285 PolarHBondContact N-O 2.94Å; T236-Y285 PolarHBondContact O-N 3.34Å; V238-Y285 HydrophobicContact CG2-CD2 4.1Å; V238-Y285 HydrophobicContact CG2-CE2 4.06Å; F256-Y285 WeakPolarHBondContact CB-OH 3.35Å; F256-Y285 WeakPolarHBondContact CD1-OH 3.39Å; F256-Y285 WeakPolarHBondContact O-CE1 3.22Å; F256-Y285 PolarHBondContact O-OH 3.34Å; E261-Y285 WeakPolarHBondContact O-CA 3.44Å; I262-Y285 HydrophobicContact CG1-CD1 4.25Å; I262-Y285 HydrophobicContact CG1-CE1 3.92Å; V283-Y285 HydrophobicContact CB-CE2 4.33Å; V283-Y285 HydrophobicContact CG1-CD2 3.91Å; V283-Y285 HydrophobicContact CG1-CE2 3.53Å; Y285-D287 VanDerWaalsContact C-N 3.32Å; Y285-D287 WeakPolarHBondContact CB-O 3.37Å; Y285-A291 HydrophobicContact CD2-CB 3.19Å; Y285-A291 HydrophobicContact CE2-CB 3.79Å; Y285-A291 HydrophobicContact CG-CB 3.82Å; Y285-A294 HydrophobicContact CE2-CB 3.98Å; Y285-A294 WeakPolarHBondContact OH-CB 3.3Å |
| 286 | V | 93.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 26% | 0.255 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -60.8 | -44.3 | 170.3 | 178 | 0 | 0 | 0 | 0 | 110.5 | E261 H263 | E261-V286 HydrophobicContact CB-CB 4.26Å; E261-V286 HydrophobicContact CB-CG2 3.98Å; E261-V286 HydrophobicContact CG-CG2 3.84Å; E261-V286 PolarHBondContact O-N 3.24Å; H263-V286 HydrophobicContact CB-CG2 4.09Å |
| 287 | D | 92.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -103.5 | 136.4 | -179.5 | -74 | -53.6 | 0 | 0 | 0 | 113 | Y285 K289 S290 A291 | Y285-D287 VanDerWaalsContact C-N 3.32Å; Y285-D287 WeakPolarHBondContact CB-O 3.37Å; D287-K289 VanDerWaalsContact C-N 3.31Å; D287-K289 PolarHBondContact O-N 2.83Å; D287-S290 PolarHBondContact O-N 3.37Å; D287-A291 PolarHBondContact O-N 3.03Å |
| 288 | S | 92.9 | Very high | 95 | Very high | 70 Ų | 70 | 49 Ų | 49 | 49% | 0.49 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -32.9 | 174.1 | 178 | 0 | 0 | 0 | 0 | 113.1 | T236 A291 S292 | T236-S288 VanDerWaalsContact OG1-CA 3.23Å; T236-S288 WeakPolarHBondContact OG1-CA 3.11Å; T236-S288 VanDerWaalsContact OG1-CB 3.26Å; T236-S288 WeakPolarHBondContact OG1-CB 3.25Å; T236-S288 PolarHBondContact OG1-OG 3.02Å; S288-A291 WeakPolarHBondContact O-CA 3.44Å; S288-A291 PolarHBondContact O-N 3.43Å; S288-S292 PolarHBondContact O-N 3.23Å |
| 289 | K | 94.3 | Very high | 95.2 | Very high | 152 Ų | 152 | 47.5 Ų | 47.5 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64 | -46.2 | 177.6 | -172.2 | -168.2 | 170.1 | -161.9 | 0 | 111.7 | D287 A291 S292 D293 | D287-K289 VanDerWaalsContact C-N 3.31Å; D287-K289 PolarHBondContact O-N 2.83Å; K289-A291 PolarHBondContact O-N 2.78Å; K289-S292 PolarHBondContact O-N 3.31Å; K289-S292 VanDerWaalsContact O-N 3.1Å; K289-D293 VanDerWaalsContact CE-OD2 3.25Å; K289-D293 WeakPolarHBondContact CE-OD2 3.43Å; K289-D293 IonicContact NZ-OD2 3.71Å; K289-D293 PolarHBondContact O-N 3.33Å |
| 290 | S | 95.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.4 | -36.5 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | W259 D287 A294 | W259-S290 WeakPolarHBondContact O-CB 3.46Å; W259-S290 PolarHBondContact O-OG 3.1Å; D287-S290 PolarHBondContact O-N 3.37Å; S290-A294 VanDerWaalsContact O-CB 3.24Å; S290-A294 WeakPolarHBondContact O-CB 3.37Å; S290-A294 PolarHBondContact O-N 3.39Å |
| 291 | A | 95 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -28.3 | -77.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T236 V238 Y285 D287 S288 K289 A294 V295 | T236-A291 HydrophobicContact CG2-CB 3.8Å; V238-A291 HydrophobicContact CG2-CB 3.21Å; Y285-A291 HydrophobicContact CD2-CB 3.19Å; Y285-A291 HydrophobicContact CE2-CB 3.79Å; Y285-A291 HydrophobicContact CG-CB 3.82Å; D287-A291 PolarHBondContact O-N 3.03Å; S288-A291 WeakPolarHBondContact O-CA 3.44Å; S288-A291 PolarHBondContact O-N 3.43Å; K289-A291 PolarHBondContact O-N 2.78Å; A291-A294 PolarHBondContact O-N 3.17Å; A291-V295 WeakPolarHBondContact O-CG2 3.18Å; A291-V295 PolarHBondContact O-N 2.86Å |
| 292 | S | 95.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.2 | -37.7 | -173.1 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | S288 K289 V295 N296 E312 | S288-S292 PolarHBondContact O-N 3.23Å; K289-S292 PolarHBondContact O-N 3.31Å; K289-S292 VanDerWaalsContact O-N 3.1Å; S292-V295 PolarHBondContact O-N 2.99Å; S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 2.77Å; S292-N296 PolarHBondContact O-ND2 2.91Å; S292-E312 VanDerWaalsContact CA-OE1 3.24Å; S292-E312 WeakPolarHBondContact CA-OE1 3.46Å; S292-E312 VanDerWaalsContact CB-OE1 3.24Å; S292-E312 WeakPolarHBondContact CB-OE1 3.46Å; S292-E312 PolarHBondContact OG-OE1 2.88Å |
| 293 | D | 96 | Very high | 95.2 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.2 | -72.4 | -22.4 | 0 | 0 | 0 | 110.5 | K289 V295 N296 F297 | K289-D293 VanDerWaalsContact CE-OD2 3.25Å; K289-D293 WeakPolarHBondContact CE-OD2 3.43Å; K289-D293 IonicContact NZ-OD2 3.71Å; K289-D293 PolarHBondContact O-N 3.33Å; D293-V295 VanDerWaalsContact C-N 3.32Å; D293-V295 PolarHBondContact O-N 3.1Å; D293-N296 PolarHBondContact O-N 3.33Å; D293-F297 HydrophobicContact CB-CD2 4.48Å; D293-F297 HydrophobicContact CB-CE2 4.48Å; D293-F297 WeakPolarHBondContact O-CD2 3.47Å; D293-F297 PolarHBondContact O-N 3.44Å |
| 294 | A | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F256 W259 Y285 S290 A291 M298 | F256-A294 HydrophobicContact CD1-CB 4.45Å; W259-A294 HydrophobicContact CB-CB 3.77Å; W259-A294 HydrophobicContact CD2-CB 3.93Å; W259-A294 HydrophobicContact CE3-CB 3.93Å; W259-A294 HydrophobicContact CG-CB 3.81Å; Y285-A294 HydrophobicContact CE2-CB 3.98Å; Y285-A294 WeakPolarHBondContact OH-CB 3.3Å; S290-A294 VanDerWaalsContact O-CB 3.24Å; S290-A294 WeakPolarHBondContact O-CB 3.37Å; S290-A294 PolarHBondContact O-N 3.39Å; A291-A294 PolarHBondContact O-N 3.17Å; A294-M298 WeakPolarHBondContact O-CB 3.47Å; A294-M298 PolarHBondContact O-N 3.13Å |
| 295 | V | 96.5 | Very high | 95.1 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V238 A291 S292 D293 F297 N299 V310 E312 | V238-V295 HydrophobicContact CG1-CG2 3.88Å; V238-V295 HydrophobicContact CG2-CG2 3.96Å; A291-V295 WeakPolarHBondContact O-CG2 3.18Å; A291-V295 PolarHBondContact O-N 2.86Å; S292-V295 PolarHBondContact O-N 2.99Å; D293-V295 VanDerWaalsContact C-N 3.32Å; D293-V295 PolarHBondContact O-N 3.1Å; V295-F297 PolarHBondContact O-N 3.08Å; V295-N299 WeakPolarHBondContact O-CB 3.48Å; V295-N299 PolarHBondContact O-N 2.95Å; V295-V310 HydrophobicContact CB-CG1 4.4Å; V295-V310 HydrophobicContact CG2-CG1 3.88Å; V295-E312 HydrophobicContact CB-CG 4.36Å; V295-E312 HydrophobicContact CG1-CG 4.4Å; V295-E312 HydrophobicContact CG2-CG 3.74Å |
| 296 | N | 96.3 | Very high | 95.1 | Very high | 120 Ų | 120 | 62.8 Ų | 62.8 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65 | -36.5 | 179.5 | -72.1 | -32.5 | 0 | 0 | 0 | 112.9 | S292 D293 | S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 2.77Å; S292-N296 PolarHBondContact O-ND2 2.91Å; D293-N296 PolarHBondContact O-N 3.33Å |
| 297 | F | 95.2 | Very high | 95.3 | Very high | 146 Ų | 146 | 65.8 Ų | 65.8 | 64% | 0.64 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -90.9 | -29.4 | -177.8 | -69.1 | -62.5 | 0 | 0 | 0 | 114.8 | W259 D293 V295 | W259-F297 AromaticContact CD1-CD2 3.83Å; W259-F297 HydrophobicContact CZ2-CB 4.32Å; W259-F297 AromaticContact NE1-CD2 3.57Å; W259-F297 AromaticContact NE1-CG 3.89Å; D293-F297 HydrophobicContact CB-CD2 4.48Å; D293-F297 HydrophobicContact CB-CE2 4.48Å; D293-F297 WeakPolarHBondContact O-CD2 3.47Å; D293-F297 PolarHBondContact O-N 3.44Å; V295-F297 PolarHBondContact O-N 3.08Å |
| 298 | M | 95.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -102.9 | -10.6 | -176.3 | -73 | -65.2 | -71.6 | 0 | 0 | 115.8 | I255 F256 W259 A294 G300 G301 I303 V308 V310 | I255-M298 HydrophobicContact CG2-CE 3.91Å; F256-M298 HydrophobicContact CE1-CB 4.16Å; F256-M298 HydrophobicContact CE1-CG 4.22Å; F256-M298 HydrophobicContact CE2-CE 4.49Å; F256-M298 HydrophobicContact CZ-CB 4.25Å; F256-M298 HydrophobicContact CZ-CE 4.23Å; F256-M298 HydrophobicContact CZ-CG 4.32Å; W259-M298 HydrophobicContact CE3-CG 4.24Å; W259-M298 HydrophobicContact CH2-CE 4.39Å; W259-M298 HydrophobicContact CH2-CG 3.1Å; W259-M298 HydrophobicContact CH2-SD 3.4Å; W259-M298 WeakPolarHBondContact CH2-SD 3.5Å; W259-M298 HydrophobicContact CZ2-CG 3.53Å; W259-M298 HydrophobicContact CZ2-SD 3.92Å; W259-M298 HydrophobicContact CZ3-CG 3.46Å; W259-M298 VanDerWaalsContact CZ3-CG 3.46Å; W259-M298 HydrophobicContact CZ3-SD 4.2Å; A294-M298 WeakPolarHBondContact O-CB 3.47Å; A294-M298 PolarHBondContact O-N 3.13Å; M298-G300 PolarHBondContact O-N 2.99Å; M298-G301 PolarHBondContact O-N 3.14Å; M298-I303 HydrophobicContact CE-CD1 3.67Å; M298-I303 HydrophobicContact CE-CG1 3.7Å; M298-V308 HydrophobicContact CE-CG2 4.29Å; M298-V310 HydrophobicContact CB-CB 4.42Å; M298-V310 HydrophobicContact CB-CG2 3.73Å; M298-V310 WeakPolarHBondContact O-CG2 3.14Å |
| 299 | N | 96.2 | Very high | 95.7 | Very high | 92 Ų | 92 | 63.6 Ų | 63.6 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 106.1 | 176.7 | -171.9 | 28.8 | 0 | 0 | 0 | 110.8 | V295 R309 V310 | V295-N299 WeakPolarHBondContact O-CB 3.48Å; V295-N299 PolarHBondContact O-N 2.95Å; N299-R309 WeakPolarHBondContact OD1-CA 3.37Å; N299-V310 HydrophobicContact CB-CB 4.1Å; N299-V310 WeakPolarHBondContact CB-O 3.28Å; N299-V310 VanDerWaalsContact CG-O 3.23Å; N299-V310 PolarHBondContact OD1-N 3.09Å; N299-V310 PolarHBondContact OD1-O 3.4Å |
| 300 | G | 95.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M298 V308 | M298-G300 PolarHBondContact O-N 2.99Å; G300-V308 WeakPolarHBondContact CA-O 3.23Å; G300-V308 PolarHBondContact N-O 3.23Å |
| 301 | G | 95.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | trans | -67.2 | 167 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M298 E307 V308 | M298-G301 PolarHBondContact O-N 3.14Å; G301-E307 CarbonylContact O-C 3.57Å; G301-E307 WeakPolarHBondContact O-CA 3.33Å; G301-V308 WeakPolarHBondContact O-CG2 3.49Å; G301-V308 PolarHBondContact O-N 3.28Å | ||
| 302 | Q | 95.8 | Very high | 95.8 | Very high | 134 Ų | 134 | 61 Ų | 61 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.2 | 179.5 | -66.7 | -177.7 | -2.7 | 0 | 0 | 111.6 | Q306 E307 | Q302-Q306 WeakPolarHBondContact CA-O 3.46Å; Q302-E307 HydrophobicContact CG-CG 4.16Å |
| 303 | I | 95.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132 | 170.9 | -51.1 | -178.1 | 0 | 0 | 0 | 108.3 | I247 I255 F256 M298 G305 Q306 V308 | I247-I303 HydrophobicContact CD1-CB 4Å; I247-I303 HydrophobicContact CD1-CG2 3.46Å; I247-I303 VanDerWaalsContact CD1-CG2 3.46Å; I247-I303 HydrophobicContact CG1-CG2 4.04Å; I255-I303 HydrophobicContact CD1-CD1 4.14Å; I255-I303 HydrophobicContact CD1-CG1 4.33Å; I255-I303 HydrophobicContact CD1-CG2 3.51Å; I255-I303 HydrophobicContact CG2-CD1 4.23Å; F256-I303 HydrophobicContact CE2-CD1 3.81Å; F256-I303 HydrophobicContact CZ-CD1 4.34Å; M298-I303 HydrophobicContact CE-CD1 3.67Å; M298-I303 HydrophobicContact CE-CG1 3.7Å; I303-G305 PolarHBondContact O-N 3.02Å; I303-Q306 PolarHBondContact N-O 2.78Å; I303-Q306 PolarHBondContact O-N 3.41Å; I303-V308 HydrophobicContact CB-CG1 4.07Å; I303-V308 HydrophobicContact CD1-CG1 3.95Å; I303-V308 HydrophobicContact CD1-CG2 4.06Å; I303-V308 HydrophobicContact CG1-CG1 3.92Å; I303-V308 HydrophobicContact CG1-CG2 4.08Å |
| 304 | D | 94.4 | Very high | 94.9 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 38.2 | -177.2 | -167.1 | 38.7 | 0 | 0 | 0 | 112.4 | T244 N246 I247 Q306 | T244-D304 VanDerWaalsContact CB-OD2 3.31Å; T244-D304 WeakPolarHBondContact CB-OD2 3.28Å; T244-D304 HydrophobicContact CG2-CB 3.73Å; T244-D304 WeakPolarHBondContact CG2-OD2 3.47Å; T244-D304 PolarHBondContact OG1-OD2 2.83Å; N246-D304 PolarHBondContact ND2-OD2 2.96Å; I247-D304 HydrophobicContact CD1-CB 4.21Å; I247-D304 HydrophobicContact CG1-CB 4.17Å; D304-Q306 PolarHBondContact O-N 2.81Å |
| 305 | G | 94.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 69.2 Ų | 69.2 | 73% | 0.732 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 2.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I303 | I303-G305 PolarHBondContact O-N 3.02Š|
| 306 | Q | 96 | Very high | 91.3 | Very high | 82 Ų | 82 | 75.9 Ų | 75.9 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.8 | -178.6 | -167.3 | 172.7 | -72.3 | 0 | 0 | 111.5 | K242 L243 T244 Q302 I303 D304 V308 | K242-Q306 VanDerWaalsContact C-NE2 3.31Å; K242-Q306 PolarHBondContact O-NE2 2.91Å; L243-Q306 PolarHBondContact O-NE2 3.44Å; T244-Q306 HydrophobicContact CG2-CB 3.53Å; T244-Q306 HydrophobicContact CG2-CG 4.36Å; Q302-Q306 WeakPolarHBondContact CA-O 3.46Å; I303-Q306 PolarHBondContact N-O 2.78Å; I303-Q306 PolarHBondContact O-N 3.41Å; D304-Q306 PolarHBondContact O-N 2.81Å; Q306-V308 PolarHBondContact O-N 3.05Å |
| 307 | E | 97.2 | Very high | 89.1 | Confident | 105 Ų | 105 | 76.4 Ų | 76.4 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 122.9 | 173.2 | -67.1 | 173.9 | -179.8 | 0 | 0 | 111.2 | K242 G301 Q302 | K242-E307 VanDerWaalsContact CB-O 3.3Å; K242-E307 WeakPolarHBondContact CB-O 3.22Å; K242-E307 WeakPolarHBondContact CD-O 3.48Å; K242-E307 IonicContact NZ-OE2 2.68Å; G301-E307 CarbonylContact O-C 3.57Å; G301-E307 WeakPolarHBondContact O-CA 3.33Å; Q302-E307 HydrophobicContact CG-CG 4.16Å |
| 308 | V | 97.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 42% | 0.419 | C | S | . | . | trans | -95.1 | 154.5 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | I240 E241 L243 M298 G300 G301 I303 Q306 V310 | I240-V308 HydrophobicContact CG2-CB 4.19Å; I240-V308 HydrophobicContact CG2-CG1 4.43Å; E241-V308 WeakPolarHBondContact O-CA 3.46Å; L243-V308 HydrophobicContact CD2-CG1 4.07Å; M298-V308 HydrophobicContact CE-CG2 4.29Å; G300-V308 WeakPolarHBondContact CA-O 3.23Å; G300-V308 PolarHBondContact N-O 3.23Å; G301-V308 WeakPolarHBondContact O-CG2 3.49Å; G301-V308 PolarHBondContact O-N 3.28Å; I303-V308 HydrophobicContact CB-CG1 4.07Å; I303-V308 HydrophobicContact CD1-CG1 3.95Å; I303-V308 HydrophobicContact CD1-CG2 4.06Å; I303-V308 HydrophobicContact CG1-CG1 3.92Å; I303-V308 HydrophobicContact CG1-CG2 4.08Å; Q306-V308 PolarHBondContact O-N 3.05Å; V308-V310 HydrophobicContact CG2-CG2 4.1Å | ||
| 309 | R | 97.3 | Very high | 84.2 | Confident | 119 Ų | 119 | 78.1 Ų | 78.1 | 45% | 0.449 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.5 | 164.1 | -59.8 | -168.8 | -62.3 | -143.2 | 2.5 | 108.8 | I240 E241 K242 N299 | I240-R309 CarbonylContact C-O 3.56Å; I240-R309 WeakPolarHBondContact CA-O 3.38Å; E241-R309 HydrophobicContact CB-CB 4.3Å; E241-R309 PolarHBondContact N-O 3.07Å; E241-R309 PolarHBondContact O-N 3.19Å; E241-R309 IonicContact OE1-NH2 2.79Å; E241-R309 IonicContact OE2-CZ 3.34Å; E241-R309 IonicContact OE2-NE 3.97Å; E241-R309 PolarHBondContact OE2-NE 2.83Å; E241-R309 IonicContact OE2-NH2 3.67Å; E241-R309 PolarHBondContact OE2-NH2 2.77Å; K242-R309 HydrophobicContact CD-CG 4.13Å; N299-R309 WeakPolarHBondContact OD1-CA 3.37Å |
| 310 | V | 97.2 | Very high | 82.2 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.006 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.8 | -177.7 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | V238 L239 I240 F256 V295 M298 N299 V308 | V238-V310 HydrophobicContact CG1-CG1 3.3Å; L239-V310 WeakPolarHBondContact O-CA 3.25Å; I240-V310 HydrophobicContact CG2-CG2 4.31Å; F256-V310 HydrophobicContact CE1-CG1 4.19Å; F256-V310 HydrophobicContact CE1-CG2 4.34Å; F256-V310 HydrophobicContact CZ-CG2 4.18Å; V295-V310 HydrophobicContact CB-CG1 4.4Å; V295-V310 HydrophobicContact CG2-CG1 3.88Å; M298-V310 HydrophobicContact CB-CB 4.42Å; M298-V310 HydrophobicContact CB-CG2 3.73Å; M298-V310 WeakPolarHBondContact O-CG2 3.14Å; N299-V310 HydrophobicContact CB-CB 4.1Å; N299-V310 WeakPolarHBondContact CB-O 3.28Å; N299-V310 VanDerWaalsContact CG-O 3.23Å; N299-V310 PolarHBondContact OD1-N 3.09Å; N299-V310 PolarHBondContact OD1-O 3.4Å; V308-V310 HydrophobicContact CG2-CG2 4.1Å |
| 311 | S | 96 | Very high | 80 | Confident | 42 Ų | 42 | 82 Ų | 82 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 144 | -171.4 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | V238 L239 V313 | V238-S311 CarbonylContact C-O 3.56Å; V238-S311 WeakPolarHBondContact CA-O 3.25Å; L239-S311 PolarHBondContact N-O 2.95Å; L239-S311 PolarHBondContact O-N 3.04Å; L239-S311 PolarHBondContact O-OG 2.92Å; S311-V313 PolarHBondContact O-N 2.94Å |
| 312 | E | 93.9 | Very high | 78 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.9 | 176.9 | -61.8 | 179.1 | 167.4 | 0 | 0 | 111.3 | S292 V295 H314 | S292-E312 VanDerWaalsContact CA-OE1 3.24Å; S292-E312 WeakPolarHBondContact CA-OE1 3.46Å; S292-E312 VanDerWaalsContact CB-OE1 3.24Å; S292-E312 WeakPolarHBondContact CB-OE1 3.46Å; S292-E312 PolarHBondContact OG-OE1 2.88Å; V295-E312 HydrophobicContact CB-CG 4.36Å; V295-E312 HydrophobicContact CG1-CG 4.4Å; V295-E312 HydrophobicContact CG2-CG 3.74Å; E312-H314 PolarHBondContact O-N 2.94Å; E312-H314 IonicContact OE2-CE1 2.67Å; E312-H314 PolarHBondContact OE2-CE1 2.96Å |
| 313 | V | 91.2 | Very high | 75.9 | Confident | 48 Ų | 48 | 90.1 Ų | 90.1 | 29% | 0.291 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 87.8 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | R237 L239 Y282 S311 S315 | R237-V313 WeakPolarHBondContact O-CA 3.28Å; R237-V313 PolarHBondContact O-N 2.76Å; L239-V313 HydrophobicContact CB-CG2 3.35Å; L239-V313 HydrophobicContact CD2-CG2 4.36Å; L239-V313 HydrophobicContact CG-CG2 4.49Å; Y282-V313 HydrophobicContact CE1-CG2 4.4Å; S311-V313 PolarHBondContact O-N 2.94Å; V313-S315 PolarHBondContact O-N 3.45Å |
| 314 | H | 79.6 | Confident | 73.9 | Confident | 133 Ų | 133 | 93 Ų | 93 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | trans | -57.7 | 116.3 | 159.9 | -66.1 | 78.1 | 0 | 0 | 0 | 108.7 | E312 Q316 | E312-H314 PolarHBondContact O-N 2.94Å; E312-H314 IonicContact OE2-CE1 2.67Å; E312-H314 PolarHBondContact OE2-CE1 2.96Å; H314-Q316 PolarHBondContact O-N 2.69Å | ||
| 315 | S | 65.1 | Low | 71.7 | Confident | 79 Ų | 79 | 91.8 Ų | 91.8 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | trans | -69.1 | 92.4 | -179.2 | 36 | 0 | 0 | 0 | 0 | 110.6 | V313 T317 | V313-S315 PolarHBondContact O-N 3.45Å; S315-T317 PolarHBondContact O-N 2.95Å; S315-T317 PolarHBondContact O-OG1 2.72Å | ||
| 316 | Q | 53.3 | Low | 69.6 | Low | 158 Ų | 158 | 99.3 Ų | 99.3 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | trans | -71.5 | 47.8 | -179.8 | -74.1 | -75.8 | -17.3 | 0 | 0 | 113.3 | H314 A318 | H314-Q316 PolarHBondContact O-N 2.69Å; Q316-A318 PolarHBondContact O-N 3.28Å; Q316-A318 VanDerWaalsContact O-N 3.14Å | ||
| 317 | T | 48.5 | Very low | 67.3 | Low | 130 Ų | 130 | 100.2 Ų | 100.2 | 80% | 0.798 | 54% | 0.541 | S | S | * | . | trans | -84.1 | 38.8 | 173.1 | 47.4 | 0 | 0 | 0 | 0 | 112 | S315 | S315-T317 PolarHBondContact O-N 2.95Å; S315-T317 PolarHBondContact O-OG1 2.72Å | ||
| 318 | A | 44.6 | Very low | 65 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 63% | 0.628 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -127.2 | 20.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q316 | Q316-A318 PolarHBondContact O-N 3.28Å; Q316-A318 VanDerWaalsContact O-N 3.14Å |
| 319 | H | 44 | Very low | 62.5 | Low | 127 Ų | 127 | 109.9 Ų | 109.9 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -154.6 | 12 | 171.7 | -141.8 | -58.1 | 0 | 0 | 0 | 117.5 | ||
| 320 | L | 53.6 | Low | 60.1 | Low | 147 Ų | 147 | 115.5 Ų | 115.5 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -111 | -13.1 | -177.5 | -71.1 | 173.8 | 0 | 0 | 0 | 115 | ||
| 321 | S | 51 | Low | 57.9 | Low | 76 Ų | 76 | 121.2 Ų | 121.2 | 53% | 0.531 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -60.1 | -51.2 | 171.5 | 34.4 | 0 | 0 | 0 | 0 | 112.4 | R323 A324 | S321-R323 PolarHBondContact O-N 3.19Å; S321-A324 PolarHBondContact O-N 2.89Å |
| 322 | D | 52.3 | Low | 55.2 | Low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -77 | 1.5 | -166.1 | -54.6 | -77.3 | 0 | 0 | 0 | 114.9 | ||
| 323 | R | 52.6 | Low | 52.8 | Low | 203 Ų | 203 | 129.8 Ų | 129.8 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -115 | -7.7 | 169.7 | -73.2 | -169.4 | 171.5 | 108 | -0.7 | 114.2 | S321 | S321-R323 PolarHBondContact O-N 3.19Å |
| 324 | A | 53.4 | Low | 50.4 | Low | 72 Ų | 72 | 138.6 Ų | 138.6 | 60% | 0.595 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -86.7 | -27.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S321 R326 | S321-A324 PolarHBondContact O-N 2.89Å; A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.48Å |
| 325 | G | 47.8 | Very low | 48.9 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 28.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 326 | R | 49.2 | Very low | 48 | Very low | 229 Ų | 229 | 149.3 Ų | 149.3 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 17.1 | -173.7 | -90.6 | -173.8 | 173.9 | 161 | 1.3 | 116.3 | A324 | A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.48Å |
| 327 | S | 48.3 | Very low | 47.3 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -123.5 | -0.5 | -171.8 | 55.6 | 0 | 0 | 0 | 0 | 117.3 | ||
| 328 | D | 49.3 | Very low | 46.9 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | trans | -120.6 | 3.1 | -177.9 | -127.7 | -36.3 | 0 | 0 | 0 | 115.7 | R330 T331 | D328-R330 PolarHBondContact O-N 3.47Å; D328-T331 PolarHBondContact O-OG1 3.46Å; D328-T331 VanDerWaalsContact O-OG1 3.06Å; D328-T331 WeakPolarHBondContact OD1-CG2 3.38Å; D328-T331 PolarHBondContact OD1-OG1 3.02Å | ||
| 329 | E | 45 | Very low | 46.8 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 44.9 | 170.1 | -70.1 | -172.7 | 102 | 0 | 0 | 112.8 | ||
| 330 | R | 47.3 | Very low | 46.9 | Very low | 237 Ų | 237 | 148.4 Ų | 148.4 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | -1.4 | 172.7 | -131.6 | 177.9 | -169.5 | 176.8 | 5.3 | 114.8 | D328 G332 | D328-R330 PolarHBondContact O-N 3.47Å; R330-G332 PolarHBondContact O-N 3.24Å |
| 331 | T | 49.7 | Very low | 46.8 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -90 | 22.1 | 172.9 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | D328 | D328-T331 PolarHBondContact O-OG1 3.46Å; D328-T331 VanDerWaalsContact O-OG1 3.06Å; D328-T331 WeakPolarHBondContact OD1-CG2 3.38Å; D328-T331 PolarHBondContact OD1-OG1 3.02Å |
| 332 | G | 39.8 | Very low | 46.4 | Very low | 53 Ų | 53 | 151 Ų | 151 | 55% | 0.546 | 76% | 0.759 | S | S | . | * | S | Bend | trans | -147.9 | 159.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R330 | R330-G332 PolarHBondContact O-N 3.24Š|
| 333 | Y | 42.5 | Very low | 45.9 | Very low | 237 Ų | 237 | 151.7 Ų | 151.7 | 93% | 0.929 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 50 | 75.8 | 177.1 | -77.6 | -88.5 | 0 | 0 | 0 | 117.1 | ||
| 334 | R | 42.6 | Very low | 45.5 | Very low | 233 Ų | 233 | 148.8 Ų | 148.8 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | -152.7 | 62.6 | 118.6 | -74.5 | -142.2 | 176.9 | -174.2 | -0.5 | 112.2 | R336 | R334-R336 PolarHBondContact O-N 3.04Š| |||
| 335 | K | 46.4 | Very low | 45 | Very low | 216 Ų | 216 | 153.9 Ų | 153.9 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -74.9 | 70.4 | 160 | -167.6 | -178.9 | -178 | -176.7 | 0 | 109.3 | ||||
| 336 | R | 46.8 | Very low | 44.7 | Very low | 222 Ų | 222 | 160.2 Ų | 160.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -131.8 | 134 | 170.6 | -74 | -172.6 | 178.6 | 163 | 2.2 | 107.8 | R334 | R334-R336 PolarHBondContact O-N 3.04Š| ||
| 337 | G | 38.2 | Very low | 44.4 | Very low | 80 Ų | 80 | 160.2 Ų | 160.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -65.6 | 142.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 338 | H | 41.7 | Very low | 44.3 | Very low | 169 Ų | 169 | 159.8 Ų | 159.8 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -95.4 | 87.4 | 147.4 | -145.8 | -83 | 0 | 0 | 0 | 106.4 | S340 | H338-S340 VanDerWaalsContact C-N 3.34Å; H338-S340 WeakPolarHBondContact ND1-CB 3.16Å; H338-S340 PolarHBondContact ND1-OG 3.19Å; H338-S340 PolarHBondContact O-N 3.45Å; H338-S340 VanDerWaalsContact O-N 3.17Å | ||
| 339 | D | 41.4 | Very low | 44.3 | Very low | 139 Ų | 139 | 161.8 Ų | 161.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -70.4 | 103.9 | 155.9 | 179.6 | 2.4 | 0 | 0 | 0 | 106.3 | S341 | D339-S341 PolarHBondContact OD1-N 2.74Å; D339-S341 PolarHBondContact OD1-OG 3.21Å | ||
| 340 | S | 47.2 | Very low | 44.4 | Very low | 84 Ų | 84 | 159.9 Ų | 159.9 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | -135.6 | 66.6 | 161 | 54.1 | 0 | 0 | 0 | 0 | 106.8 | H338 | H338-S340 VanDerWaalsContact C-N 3.34Å; H338-S340 WeakPolarHBondContact ND1-CB 3.16Å; H338-S340 PolarHBondContact ND1-OG 3.19Å; H338-S340 PolarHBondContact O-N 3.45Å; H338-S340 VanDerWaalsContact O-N 3.17Å | ||
| 341 | S | 50.3 | Low | 44.2 | Very low | 90 Ų | 90 | 157.9 Ų | 157.9 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -32 | 136.3 | 159.3 | 32.8 | 0 | 0 | 0 | 0 | 113.4 | D339 | D339-S341 PolarHBondContact OD1-N 2.74Å; D339-S341 PolarHBondContact OD1-OG 3.21Å | ||
| 342 | K | 42.6 | Very low | 44 | Very low | 186 Ų | 186 | 159.4 Ų | 159.4 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | trans | 26.7 | 97.6 | 157 | -62.7 | -179.7 | 178.1 | -178.4 | 0 | 116.3 | ||||
| 343 | H | 41.2 | Very low | 44 | Very low | 139 Ų | 139 | 160 Ų | 160 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | trans | -139.6 | 75.5 | 139.2 | -118 | -40.2 | 0 | 0 | 0 | 112.9 | R345 | H343-R345 PolarHBondContact CD2-NH1 2.89Å; H343-R345 PolarHBondContact CE1-NH1 3.06Å; H343-R345 PolarHBondContact ND1-NH1 3.06Å; H343-R345 PolarHBondContact NE2-NH1 2.82Å; H343-R345 PolarHBondContact O-N 3.33Å; H343-R345 VanDerWaalsContact O-N 3.09Å | ||
| 344 | D | 45.6 | Very low | 44.2 | Very low | 141 Ų | 141 | 157.9 Ų | 157.9 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -52.4 | 113.5 | 146.7 | -55.6 | -72.7 | 0 | 0 | 0 | 107.8 | ||||
| 345 | R | 42.3 | Very low | 44.4 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -137.3 | 79.7 | 162.2 | -89.6 | -166.1 | 171.8 | 103.9 | 5.7 | 107.1 | H343 R347 | H343-R345 PolarHBondContact CD2-NH1 2.89Å; H343-R345 PolarHBondContact CE1-NH1 3.06Å; H343-R345 PolarHBondContact ND1-NH1 3.06Å; H343-R345 PolarHBondContact NE2-NH1 2.82Å; H343-R345 PolarHBondContact O-N 3.33Å; H343-R345 VanDerWaalsContact O-N 3.09Å; R345-R347 PolarHBondContact O-N 2.79Å | ||
| 346 | E | 42.2 | Very low | 44.5 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | trans | -47.9 | 106.8 | 160.6 | -61.7 | 178.9 | 140.6 | 0 | 0 | 108.2 | ||||
| 347 | R | 42.2 | Very low | 44.4 | Very low | 228 Ų | 228 | 145.9 Ų | 145.9 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -152.4 | 72.9 | -179.4 | -160.3 | 177.7 | -164.5 | 167 | 6.9 | 111.9 | R345 | R345-R347 PolarHBondContact O-N 2.79Š| ||
| 348 | S | 45.9 | Very low | 44.5 | Very low | 93 Ų | 93 | 146.6 Ų | 146.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -170.7 | 153.3 | 132.6 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 349 | H | 49.4 | Very low | 44.8 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 68.9 | 111.4 | 164.3 | -50.7 | -57 | 0 | 0 | 0 | 118.8 | ||||
| 350 | N | 46.9 | Very low | 45.2 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | 81.2 | 141.9 | 149 | -52.5 | -18.6 | 0 | 0 | 0 | 117.6 | ||||
| 351 | R | 42.5 | Very low | 44.8 | Very low | 196 Ų | 196 | 150 Ų | 150 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | cis | -170.4 | 146.2 | -14.9 | 170.9 | 166.6 | 172.6 | 171.6 | -2.8 | 109.1 | ||||
| 352 | E | 46 | Very low | 44.7 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | 64.8 | 123.4 | 166.9 | -75.3 | 150.2 | -165.6 | 0 | 0 | 119.9 | ||||
| 353 | G | 39.3 | Very low | 45.3 | Very low | 64 Ų | 64 | 147.2 Ų | 147.2 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | 80.9 | 140.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 354 | H | 48 | Very low | 45.5 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | cis | -147.8 | 152.9 | -16.7 | -83.4 | -82.3 | 0 | 0 | 0 | 109.3 | ||||
| 355 | P | 47.4 | Very low | 45.7 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -107.3 | 151.7 | -172.2 | 38.5 | -32.7 | 0 | 0 | 0 | 115 | ||||
| 356 | S | 47 | Very low | 46 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -168.5 | 125.9 | 150.7 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 357 | K | 44.3 | Very low | 46 | Very low | 194 Ų | 194 | 151 Ų | 151 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 65 | 143.5 | 143.6 | -62 | -177.1 | 176.1 | 178.5 | 0 | 118.8 | ||||
| 358 | T | 41 | Very low | 46.2 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | cis | -167.9 | 151.7 | -4.8 | 14 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 359 | Y | 48.4 | Very low | 46.3 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | trans | 47.5 | 140.4 | 153.3 | -50.9 | -51.6 | 0 | 0 | 0 | 118.7 | ||||
| 360 | T | 48.9 | Very low | 46.2 | Very low | 119 Ų | 119 | 151 Ų | 151 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | cis | -166.3 | 172.2 | 10.3 | 2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 361 | D | 39.5 | Very low | 46.2 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -153 | -156.4 | 6 | -146.2 | -62.5 | 0 | 0 | 0 | 110.5 | ||||
| 362 | S | 48.8 | Very low | 46.7 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -67.9 | 173.8 | 173.4 | -47.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 363 | T | 53.9 | Low | 46.8 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | cis | -147.9 | 159.8 | 19.3 | -47.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 364 | E | 46.5 | Very low | 47.4 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -62.8 | 156.8 | 170.3 | -41.7 | 174.8 | 111.4 | 0 | 0 | 113.7 | ||||
| 365 | H | 50.4 | Low | 47.6 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -155.7 | 104.4 | 140.7 | -88.4 | -34.4 | 0 | 0 | 0 | 112.8 | ||||
| 366 | N | 48.3 | Very low | 47.5 | Very low | 146 Ų | 146 | 153.2 Ų | 153.2 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -92.5 | 133.8 | 161.6 | -81.7 | -68.5 | 0 | 0 | 0 | 110.1 | ||||
| 367 | R | 41.9 | Very low | 47.7 | Very low | 241 Ų | 241 | 153.2 Ų | 153.2 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -173.2 | 107.5 | 144.6 | -107.7 | 157.8 | -175.7 | 145 | 2.4 | 116 | ||||
| 368 | V | 47.1 | Very low | 48 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | 28.3 | 114.8 | 129.9 | -170.9 | 0 | 0 | 0 | 0 | 120.1 | E370 | V368-E370 HydrophobicContact CG1-CG 4.06Š| |||
| 369 | K | 47.8 | Very low | 48.6 | Very low | 195 Ų | 195 | 153 Ų | 153 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | -168.6 | 105.5 | 125.4 | -115.8 | 171.1 | 174.7 | 177.1 | 0 | 108.6 | |||||
| 370 | E | 47.1 | Very low | 48.7 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 73.3 | 116.3 | 75.7 | -72.6 | -167.6 | 147.1 | 0 | 0 | 115.9 | V368 | V368-E370 HydrophobicContact CG1-CG 4.06Š| |||
| 371 | D | 46 | Very low | 48.8 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | 38 | 106.4 | 155 | -156.8 | 11.4 | 0 | 0 | 0 | 121.3 | ||||
| 372 | S | 52.6 | Low | 49.3 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -155.9 | 158.3 | 136.9 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 373 | G | 48.6 | Very low | 49.4 | Very low | 68 Ų | 68 | 157.4 Ų | 157.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 99.5 | 49.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | K375 | G373-K375 PolarHBondContact O-N 3.39Š| ||
| 374 | K | 53 | Low | 49.3 | Very low | 208 Ų | 208 | 154.9 Ų | 154.9 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -48.6 | 111.2 | 163.7 | -72.4 | 170.6 | 179.5 | 164.6 | 0 | 112.1 | ||||
| 375 | K | 50.4 | Low | 49.7 | Very low | 184 Ų | 184 | 152.7 Ų | 152.7 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -164.2 | 173.7 | 163 | -98.2 | 133.8 | -171.2 | 179.5 | 0 | 110 | G373 | G373-K375 PolarHBondContact O-N 3.39Š| ||
| 376 | H | 45 | Very low | 50 | Low | 188 Ų | 188 | 147.6 Ų | 147.6 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | 72.8 | 41.3 | 176.3 | -46.1 | -74.5 | 0 | 0 | 0 | 118.5 | ||||
| 377 | A | 51.8 | Low | 50.5 | Low | 102 Ų | 102 | 150.6 Ų | 150.6 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | -93.7 | -4.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 378 | S | 51.1 | Low | 51.8 | Low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -105.1 | 25.5 | -159.4 | 54.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 379 | H | 52.6 | Low | 52.7 | Low | 175 Ų | 175 | 141.7 Ų | 141.7 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -131.6 | 18.3 | -169.5 | -109.6 | 56.5 | 0 | 0 | 0 | 117.5 | ||
| 380 | N | 50.9 | Low | 53.8 | Low | 111 Ų | 111 | 137.9 Ų | 137.9 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | trans | -111.6 | -11.4 | 180 | -82.2 | -47.5 | 0 | 0 | 0 | 116.4 | F382 R383 T384 | N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.34Å; N380-R383 PolarHBondContact O-N 2.84Å; N380-T384 PolarHBondContact O-N 2.92Å | ||
| 381 | H | 50.6 | Low | 55.1 | Low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.1 | -23.4 | -173.4 | -90.8 | -65.3 | 0 | 0 | 0 | 115.7 | T384 | H381-T384 WeakPolarHBondContact CA-OG1 3.2Å; H381-T384 PolarHBondContact O-OG1 2.74Å |
| 382 | F | 50.1 | Low | 56.6 | Low | 184 Ų | 184 | 130.2 Ų | 130.2 | 81% | 0.807 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.6 | -42 | 173.8 | -120.9 | -91.1 | 0 | 0 | 0 | 111.7 | N380 T384 H385 D386 | N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.34Å; F382-T384 VanDerWaalsContact C-N 3.29Å; F382-T384 PolarHBondContact O-N 2.57Å; F382-H385 PolarHBondContact O-N 2.87Å; F382-H385 VanDerWaalsContact O-N 3.13Å; F382-D386 PolarHBondContact O-N 2.77Å |
| 383 | R | 51.6 | Low | 57.9 | Low | 193 Ų | 193 | 127.6 Ų | 127.6 | 73% | 0.728 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.6 | -23.2 | -179.9 | -80.7 | 179 | 163.5 | 172.7 | -6.1 | 113.9 | N380 H385 | N380-R383 PolarHBondContact O-N 2.84Å; R383-H385 VanDerWaalsContact C-N 3.35Å |
| 384 | T | 52.4 | Low | 59.4 | Low | 71 Ų | 71 | 133.1 Ų | 133.1 | 44% | 0.436 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.3 | -30.8 | 172.5 | 44.4 | 0 | 0 | 0 | 0 | 112.5 | N380 H381 F382 Q388 | N380-T384 PolarHBondContact O-N 2.92Å; H381-T384 WeakPolarHBondContact CA-OG1 3.2Å; H381-T384 PolarHBondContact O-OG1 2.74Å; F382-T384 VanDerWaalsContact C-N 3.29Å; F382-T384 PolarHBondContact O-N 2.57Å; T384-Q388 PolarHBondContact O-N 3.26Å |
| 385 | H | 53.9 | Low | 60.7 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 51% | 0.514 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -76 | -44.2 | -177.4 | -137.3 | -85.8 | 0 | 0 | 0 | 112 | F382 R383 R387 Q388 E389 | F382-H385 PolarHBondContact O-N 2.87Å; F382-H385 VanDerWaalsContact O-N 3.13Å; R383-H385 VanDerWaalsContact C-N 3.35Å; H385-R387 PolarHBondContact O-N 2.77Å; H385-Q388 PolarHBondContact O-N 3.22Å; H385-Q388 VanDerWaalsContact O-N 3.1Å; H385-E389 PolarHBondContact O-N 3.38Å |
| 386 | D | 57.8 | Low | 62.3 | Low | 87 Ų | 87 | 125.3 Ų | 125.3 | 47% | 0.465 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -53.9 | -41.5 | 171.9 | -79 | -31.5 | 0 | 0 | 0 | 112 | F382 Q388 E389 H390 | F382-D386 PolarHBondContact O-N 2.77Å; D386-Q388 VanDerWaalsContact C-N 3.31Å; D386-Q388 PolarHBondContact O-N 3.37Å; D386-E389 PolarHBondContact O-N 3.5Å; D386-H390 WeakPolarHBondContact O-CB 3.45Å; D386-H390 PolarHBondContact O-CD2 2.57Å; D386-H390 VanDerWaalsContact O-CG 3.26Å; D386-H390 PolarHBondContact O-N 3.3Å |
| 387 | R | 58.9 | Low | 64.2 | Low | 210 Ų | 210 | 120.9 Ų | 120.9 | 79% | 0.792 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.7 | -31.5 | -178.7 | -149.2 | 174 | -165.2 | 170.8 | 4 | 112.5 | H385 S391 | H385-R387 PolarHBondContact O-N 2.77Å; R387-S391 PolarHBondContact O-N 2.81Å |
| 388 | Q | 68.4 | Low | 65.7 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -82.1 | -35.3 | 173.8 | -69.3 | -173.4 | 2.9 | 0 | 0 | 113.1 | T384 H385 D386 S391 R392 | T384-Q388 PolarHBondContact O-N 3.26Å; H385-Q388 PolarHBondContact O-N 3.22Å; H385-Q388 VanDerWaalsContact O-N 3.1Å; D386-Q388 VanDerWaalsContact C-N 3.31Å; D386-Q388 PolarHBondContact O-N 3.37Å; Q388-S391 PolarHBondContact O-OG 2.99Å; Q388-R392 WeakPolarHBondContact O-CB 3.48Å; Q388-R392 WeakPolarHBondContact O-CD 3.42Å; Q388-R392 WeakPolarHBondContact O-CG 3.39Å; Q388-R392 PolarHBondContact O-N 3.29Å; Q388-R392 VanDerWaalsContact OE1-NH2 3.14Å |
| 389 | E | 65.7 | Low | 67.2 | Low | 78 Ų | 78 | 118.1 Ų | 118.1 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.8 | -53.1 | 170.5 | -81.8 | -74.2 | 110.6 | 0 | 0 | 110.2 | H385 D386 S391 R392 I393 | H385-E389 PolarHBondContact O-N 3.38Å; D386-E389 PolarHBondContact O-N 3.5Å; E389-S391 VanDerWaalsContact C-N 3.34Å; E389-S391 PolarHBondContact O-N 3.48Å; E389-R392 PolarHBondContact O-N 3.49Å; E389-I393 WeakPolarHBondContact O-CB 3.5Å; E389-I393 WeakPolarHBondContact O-CD1 3.48Å; E389-I393 VanDerWaalsContact O-CG1 3.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.39Å; E389-I393 PolarHBondContact O-N 3.23Å |
| 390 | H | 71.8 | Confident | 68.6 | Low | 115 Ų | 115 | 116.2 Ų | 116.2 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -32.1 | -179.4 | -67.5 | -27 | 0 | 0 | 0 | 113.5 | D386 R394 | D386-H390 WeakPolarHBondContact O-CB 3.45Å; D386-H390 PolarHBondContact O-CD2 2.57Å; D386-H390 VanDerWaalsContact O-CG 3.26Å; D386-H390 PolarHBondContact O-N 3.3Å; H390-R394 WeakPolarHBondContact O-CB 3.39Å; H390-R394 WeakPolarHBondContact O-CG 3.37Å; H390-R394 PolarHBondContact O-N 3.46Å |
| 391 | S | 74.1 | Confident | 69.9 | Low | 55 Ų | 55 | 116.4 Ų | 116.4 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -49.8 | 172.3 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | R387 Q388 E389 I393 R394 E395 | R387-S391 PolarHBondContact O-N 2.81Å; Q388-S391 PolarHBondContact O-OG 2.99Å; E389-S391 VanDerWaalsContact C-N 3.34Å; E389-S391 PolarHBondContact O-N 3.48Å; S391-I393 PolarHBondContact O-N 2.87Å; S391-R394 PolarHBondContact O-N 3.21Å; S391-R394 VanDerWaalsContact O-N 3.16Å; S391-E395 WeakPolarHBondContact O-CB 3.37Å; S391-E395 PolarHBondContact O-N 3.06Å |
| 392 | R | 77.6 | Confident | 71.3 | Confident | 112 Ų | 112 | 113.9 Ų | 113.9 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -26.8 | 175.8 | -67.7 | 169 | -173.7 | 144.8 | 7.1 | 113.7 | Q388 E389 R396 | Q388-R392 WeakPolarHBondContact O-CB 3.48Å; Q388-R392 WeakPolarHBondContact O-CD 3.42Å; Q388-R392 WeakPolarHBondContact O-CG 3.39Å; Q388-R392 PolarHBondContact O-N 3.29Å; Q388-R392 VanDerWaalsContact OE1-NH2 3.14Å; E389-R392 PolarHBondContact O-N 3.49Å; R392-R396 WeakPolarHBondContact O-CG 3.42Å; R392-R396 PolarHBondContact O-N 2.8Å; R392-R396 PolarHBondContact O-NE 2.86Å |
| 393 | I | 80.6 | Confident | 72.5 | Confident | 64 Ų | 64 | 111.4 Ų | 111.4 | 33% | 0.328 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.6 | -46.6 | 173.7 | -69.6 | 164 | 0 | 0 | 0 | 110.4 | E389 S391 E395 R396 I397 | E389-I393 WeakPolarHBondContact O-CB 3.5Å; E389-I393 WeakPolarHBondContact O-CD1 3.48Å; E389-I393 VanDerWaalsContact O-CG1 3.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.39Å; E389-I393 PolarHBondContact O-N 3.23Å; S391-I393 PolarHBondContact O-N 2.87Å; I393-E395 VanDerWaalsContact C-N 3.25Å; I393-E395 PolarHBondContact O-N 3.2Å; I393-R396 PolarHBondContact O-N 2.98Å; I393-I397 HydrophobicContact CG2-CD1 3.88Å; I393-I397 VanDerWaalsContact O-CG1 3.3Å; I393-I397 WeakPolarHBondContact O-CG1 3.31Å; I393-I397 PolarHBondContact O-N 2.79Å |
| 394 | R | 79.6 | Confident | 73.5 | Confident | 184 Ų | 184 | 110.2 Ų | 110.2 | 69% | 0.694 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.2 | -34.4 | 173 | -75.9 | -174.5 | 177.8 | -155.6 | 0.2 | 112.2 | H390 S391 R398 | H390-R394 WeakPolarHBondContact O-CB 3.39Å; H390-R394 WeakPolarHBondContact O-CG 3.37Å; H390-R394 PolarHBondContact O-N 3.46Å; S391-R394 PolarHBondContact O-N 3.21Å; S391-R394 VanDerWaalsContact O-N 3.16Å; R394-R398 WeakPolarHBondContact O-CB 3.4Å; R394-R398 WeakPolarHBondContact O-CG 3.14Å; R394-R398 PolarHBondContact O-N 3.28Å |
| 395 | E | 80.2 | Confident | 74.2 | Confident | 85 Ų | 85 | 110.9 Ų | 110.9 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -62 | 171.8 | -150.9 | 94.3 | -93.9 | 0 | 0 | 110.4 | S391 I393 I397 R398 D399 | S391-E395 WeakPolarHBondContact O-CB 3.37Å; S391-E395 PolarHBondContact O-N 3.06Å; I393-E395 VanDerWaalsContact C-N 3.25Å; I393-E395 PolarHBondContact O-N 3.2Å; E395-I397 PolarHBondContact O-N 3.23Å; E395-I397 VanDerWaalsContact O-N 3.12Å; E395-R398 CarbonylContact O-C 3.52Å; E395-R398 WeakPolarHBondContact O-CA 3.46Å; E395-R398 WeakPolarHBondContact O-CB 3.47Å; E395-R398 PolarHBondContact O-N 3.17Å; E395-R398 IonicContact OE1-CZ 3.99Å; E395-R398 IonicContact OE1-NH1 2.66Å; E395-R398 PolarHBondContact OE1-NH1 3.24Å; E395-R398 IonicContact OE1-NH2 3.1Å; E395-R398 PolarHBondContact OE1-NH2 3.2Å; E395-D399 PolarHBondContact O-N 3.31Å |
| 396 | R | 84.7 | Confident | 74.6 | Confident | 142 Ų | 142 | 113.2 Ų | 113.2 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.6 | -29.7 | 179.3 | -76.4 | 178.5 | -73.2 | 172.6 | -5 | 113.9 | R392 I393 R400 | R392-R396 WeakPolarHBondContact O-CG 3.42Å; R392-R396 PolarHBondContact O-N 2.8Å; R392-R396 PolarHBondContact O-NE 2.86Å; I393-R396 PolarHBondContact O-N 2.98Å; R396-R400 VanDerWaalsContact O-CB 3.23Å; R396-R400 WeakPolarHBondContact O-CB 3.38Å; R396-R400 PolarHBondContact O-N 3.26Å; R396-R400 VanDerWaalsContact O-N 3.1Å |
| 397 | I | 84.1 | Confident | 74.8 | Confident | 95 Ų | 95 | 110.4 Ų | 110.4 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71 | -50.7 | 172.8 | -68.7 | 166.8 | 0 | 0 | 0 | 110.4 | I393 E395 D399 R400 E401 | I393-I397 HydrophobicContact CG2-CD1 3.88Å; I393-I397 VanDerWaalsContact O-CG1 3.3Å; I393-I397 WeakPolarHBondContact O-CG1 3.31Å; I393-I397 PolarHBondContact O-N 2.79Å; E395-I397 PolarHBondContact O-N 3.23Å; E395-I397 VanDerWaalsContact O-N 3.12Å; I397-D399 VanDerWaalsContact C-N 3.29Å; I397-D399 PolarHBondContact O-N 3.32Å; I397-R400 PolarHBondContact O-N 2.85Å; I397-E401 WeakPolarHBondContact O-CB 3.41Å; I397-E401 PolarHBondContact O-N 3.06Å |
| 398 | R | 82.5 | Confident | 74.8 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 35% | 0.351 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 175.8 | -77.3 | -174 | -81.9 | 97.2 | -12.2 | 112.1 | R394 E395 E401 R402 | R394-R398 WeakPolarHBondContact O-CB 3.4Å; R394-R398 WeakPolarHBondContact O-CG 3.14Å; R394-R398 PolarHBondContact O-N 3.28Å; E395-R398 CarbonylContact O-C 3.52Å; E395-R398 WeakPolarHBondContact O-CA 3.46Å; E395-R398 WeakPolarHBondContact O-CB 3.47Å; E395-R398 PolarHBondContact O-N 3.17Å; E395-R398 IonicContact OE1-CZ 3.99Å; E395-R398 IonicContact OE1-NH1 2.66Å; E395-R398 PolarHBondContact OE1-NH1 3.24Å; E395-R398 IonicContact OE1-NH2 3.1Å; E395-R398 PolarHBondContact OE1-NH2 3.2Å; R398-E401 PolarHBondContact O-N 3.13Å; R398-R402 WeakPolarHBondContact O-CB 3.22Å; R398-R402 WeakPolarHBondContact O-CD 3.44Å; R398-R402 WeakPolarHBondContact O-CG 3.17Å; R398-R402 PolarHBondContact O-N 2.79Å |
| 399 | D | 82.3 | Confident | 74.2 | Confident | 60 Ų | 60 | 109 Ų | 109 | 32% | 0.321 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.2 | -43.2 | 179.4 | -65.6 | -37.6 | 0 | 0 | 0 | 112 | E395 I397 E401 R402 E403 | E395-D399 PolarHBondContact O-N 3.31Å; I397-D399 VanDerWaalsContact C-N 3.29Å; I397-D399 PolarHBondContact O-N 3.32Å; D399-E401 PolarHBondContact O-N 2.92Å; D399-R402 CarbonylContact O-C 3.58Å; D399-R402 WeakPolarHBondContact O-CB 3.49Å; D399-R402 PolarHBondContact O-N 3.5Å; D399-R402 WeakPolarHBondContact OD1-CD 3.34Å; D399-R402 IonicContact OD1-CZ 3.5Å; D399-R402 IonicContact OD1-NE 3.97Å; D399-R402 IonicContact OD1-NH1 2.77Å; D399-R402 PolarHBondContact OD1-NH1 3.28Å; D399-E403 WeakPolarHBondContact O-CB 3.31Å; D399-E403 WeakPolarHBondContact O-CG 3.23Å; D399-E403 PolarHBondContact O-N 3.08Å |
| 400 | R | 81.8 | Confident | 73.8 | Confident | 136 Ų | 136 | 110 Ų | 110 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -27.1 | 172.3 | -170.4 | 176.6 | -68.2 | 155.9 | -3.7 | 112.9 | R396 I397 R404 | R396-R400 VanDerWaalsContact O-CB 3.23Å; R396-R400 WeakPolarHBondContact O-CB 3.38Å; R396-R400 PolarHBondContact O-N 3.26Å; R396-R400 VanDerWaalsContact O-N 3.1Å; I397-R400 PolarHBondContact O-N 2.85Å; R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å; R400-R404 VanDerWaalsContact O-N 3.13Å |
| 401 | E | 80.2 | Confident | 73.1 | Confident | 115 Ų | 115 | 108.8 Ų | 108.8 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -79.9 | -38.2 | 174.9 | -166.7 | 156 | -117.2 | 0 | 0 | 112.4 | I397 R398 D399 E403 R404 T405 | I397-E401 WeakPolarHBondContact O-CB 3.41Å; I397-E401 PolarHBondContact O-N 3.06Å; R398-E401 PolarHBondContact O-N 3.13Å; D399-E401 PolarHBondContact O-N 2.92Å; E401-E403 VanDerWaalsContact C-N 3.34Å; E401-R404 PolarHBondContact O-N 3.45Å; E401-T405 WeakPolarHBondContact O-CG2 3.41Å; E401-T405 PolarHBondContact O-N 3.05Å; E401-T405 PolarHBondContact O-OG1 2.87Å |
| 402 | R | 78.6 | Confident | 72.4 | Confident | 109 Ų | 109 | 110.4 Ų | 110.4 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 167.5 | -69.5 | 157.7 | 176.9 | 166.6 | -6 | 111.8 | R398 D399 T405 R406 | R398-R402 WeakPolarHBondContact O-CB 3.22Å; R398-R402 WeakPolarHBondContact O-CD 3.44Å; R398-R402 WeakPolarHBondContact O-CG 3.17Å; R398-R402 PolarHBondContact O-N 2.79Å; D399-R402 CarbonylContact O-C 3.58Å; D399-R402 WeakPolarHBondContact O-CB 3.49Å; D399-R402 PolarHBondContact O-N 3.5Å; D399-R402 WeakPolarHBondContact OD1-CD 3.34Å; D399-R402 IonicContact OD1-CZ 3.5Å; D399-R402 IonicContact OD1-NE 3.97Å; D399-R402 IonicContact OD1-NH1 2.77Å; D399-R402 PolarHBondContact OD1-NH1 3.28Å; R402-T405 WeakPolarHBondContact CA-OG1 3.2Å; R402-T405 PolarHBondContact O-OG1 3.45Å; R402-T405 VanDerWaalsContact O-OG1 3.1Å; R402-R406 VanDerWaalsContact O-CB 3.28Å; R402-R406 WeakPolarHBondContact O-CB 3.39Å; R402-R406 VanDerWaalsContact O-CG 3.25Å; R402-R406 WeakPolarHBondContact O-CG 3.21Å; R402-R406 PolarHBondContact O-N 2.95Å |
| 403 | E | 76.7 | Confident | 71.3 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.2 | -45.2 | 175.3 | -76.7 | 178 | 156.8 | 0 | 0 | 111.9 | D399 E401 T405 R406 G407 | D399-E403 WeakPolarHBondContact O-CB 3.31Å; D399-E403 WeakPolarHBondContact O-CG 3.23Å; D399-E403 PolarHBondContact O-N 3.08Å; E401-E403 VanDerWaalsContact C-N 3.34Å; E403-T405 VanDerWaalsContact C-N 3.34Å; E403-T405 PolarHBondContact O-N 3.12Å; E403-R406 PolarHBondContact O-N 3.03Å; E403-G407 PolarHBondContact O-N 3.48Å |
| 404 | R | 71.7 | Confident | 70.2 | Confident | 168 Ų | 168 | 112.1 Ų | 112.1 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 175.6 | -74.3 | 162.8 | 179.6 | 160.1 | -5.1 | 112.4 | R400 E401 S408 | R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å; R400-R404 VanDerWaalsContact O-N 3.13Å; E401-R404 PolarHBondContact O-N 3.45Å; R404-S408 WeakPolarHBondContact O-CB 3.31Å; R404-S408 PolarHBondContact O-N 3.03Å; R404-S408 VanDerWaalsContact O-N 3.08Å |
| 405 | T | 67.8 | Low | 69.2 | Low | 85 Ų | 85 | 109.8 Ų | 109.8 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.7 | -33 | 178.4 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | E401 R402 E403 R409 | E401-T405 WeakPolarHBondContact O-CG2 3.41Å; E401-T405 PolarHBondContact O-N 3.05Å; E401-T405 PolarHBondContact O-OG1 2.87Å; R402-T405 WeakPolarHBondContact CA-OG1 3.2Å; R402-T405 PolarHBondContact O-OG1 3.45Å; R402-T405 VanDerWaalsContact O-OG1 3.1Å; E403-T405 VanDerWaalsContact C-N 3.34Å; E403-T405 PolarHBondContact O-N 3.12Å; T405-R409 PolarHBondContact O-N 3.45Å |
| 406 | R | 62.1 | Low | 68.1 | Low | 161 Ų | 161 | 114.5 Ų | 114.5 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.6 | -43.6 | 170.2 | -76.6 | 174.8 | 175.8 | 138 | -2.4 | 112.7 | R402 E403 S408 R409 L410 | R402-R406 VanDerWaalsContact O-CB 3.28Å; R402-R406 WeakPolarHBondContact O-CB 3.39Å; R402-R406 VanDerWaalsContact O-CG 3.25Å; R402-R406 WeakPolarHBondContact O-CG 3.21Å; R402-R406 PolarHBondContact O-N 2.95Å; E403-R406 PolarHBondContact O-N 3.03Å; R406-S408 VanDerWaalsContact C-N 3.33Å; R406-S408 PolarHBondContact O-N 2.95Å; R406-R409 WeakPolarHBondContact O-CA 3.18Å; R406-R409 WeakPolarHBondContact O-CB 3.34Å; R406-R409 PolarHBondContact O-N 2.97Å; R406-L410 WeakPolarHBondContact O-CG 3.42Å; R406-L410 PolarHBondContact O-N 3.42Å |
| 407 | G | 61.8 | Low | 66.8 | Low | 28 Ų | 28 | 112.8 Ų | 112.8 | 29% | 0.289 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.4 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E403 R409 L410 D411 | E403-G407 PolarHBondContact O-N 3.48Å; G407-R409 PolarHBondContact O-N 3.09Å; G407-L410 PolarHBondContact O-N 3.26Å; G407-D411 WeakPolarHBondContact O-CB 3.43Å; G407-D411 PolarHBondContact O-N 2.98Å |
| 408 | S | 59.2 | Low | 65.4 | Low | 73 Ų | 73 | 119 Ų | 119 | 51% | 0.51 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -27.9 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 114.3 | R404 R406 N412 | R404-S408 WeakPolarHBondContact O-CB 3.31Å; R404-S408 PolarHBondContact O-N 3.03Å; R404-S408 VanDerWaalsContact O-N 3.08Å; R406-S408 VanDerWaalsContact C-N 3.33Å; R406-S408 PolarHBondContact O-N 2.95Å; S408-N412 PolarHBondContact O-ND2 2.92Å |
| 409 | R | 56 | Low | 64 | Low | 199 Ų | 199 | 125.7 Ų | 125.7 | 75% | 0.751 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77.4 | -50.6 | 171.5 | -72.1 | -177.7 | 176.5 | -174.2 | -1.1 | 111.4 | T405 R406 G407 D411 N412 E413 | T405-R409 PolarHBondContact O-N 3.45Å; R406-R409 WeakPolarHBondContact O-CA 3.18Å; R406-R409 WeakPolarHBondContact O-CB 3.34Å; R406-R409 PolarHBondContact O-N 2.97Å; G407-R409 PolarHBondContact O-N 3.09Å; R409-D411 VanDerWaalsContact C-N 3.35Å; R409-D411 PolarHBondContact O-N 3.15Å; R409-N412 WeakPolarHBondContact O-CB 3.27Å; R409-N412 PolarHBondContact O-N 3.04Å; R409-N412 VanDerWaalsContact O-N 3.09Å; R409-E413 PolarHBondContact O-N 3.17Å |
| 410 | L | 56.8 | Low | 62.3 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.2 | -38.1 | -179.5 | -66.9 | 173.6 | 0 | 0 | 0 | 112.6 | R406 G407 N412 E413 L414 | R406-L410 WeakPolarHBondContact O-CG 3.42Å; R406-L410 PolarHBondContact O-N 3.42Å; G407-L410 PolarHBondContact O-N 3.26Å; L410-N412 VanDerWaalsContact C-N 3.31Å; L410-N412 PolarHBondContact O-N 2.93Å; L410-E413 PolarHBondContact O-N 3.05Å; L410-L414 WeakPolarHBondContact O-CB 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.31Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 3.45Å |
| 411 | D | 57.3 | Low | 60.9 | Low | 89 Ų | 89 | 125 Ų | 125 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -35.8 | 174.1 | -87.1 | -30.2 | 0 | 0 | 0 | 112.5 | G407 R409 K415 | G407-D411 WeakPolarHBondContact O-CB 3.43Å; G407-D411 PolarHBondContact O-N 2.98Å; R409-D411 VanDerWaalsContact C-N 3.35Å; R409-D411 PolarHBondContact O-N 3.15Å; D411-K415 VanDerWaalsContact O-CB 3.25Å; D411-K415 WeakPolarHBondContact O-CB 3.47Å; D411-K415 VanDerWaalsContact O-CD 3.28Å; D411-K415 WeakPolarHBondContact O-CD 3.49Å; D411-K415 WeakPolarHBondContact O-CG 3.48Å; D411-K415 PolarHBondContact O-N 2.88Å; D411-K415 VanDerWaalsContact O-N 3.12Å |
| 412 | N | 58.2 | Low | 59.6 | Low | 89 Ų | 89 | 125.1 Ų | 125.1 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.4 | -33.7 | 175 | -87.7 | -52.8 | 0 | 0 | 0 | 112 | S408 R409 L410 R416 | S408-N412 PolarHBondContact O-ND2 2.92Å; R409-N412 WeakPolarHBondContact O-CB 3.27Å; R409-N412 PolarHBondContact O-N 3.04Å; R409-N412 VanDerWaalsContact O-N 3.09Å; L410-N412 VanDerWaalsContact C-N 3.31Å; L410-N412 PolarHBondContact O-N 2.93Å; N412-R416 VanDerWaalsContact O-CG 3.25Å; N412-R416 WeakPolarHBondContact O-CG 3.43Å; N412-R416 PolarHBondContact O-N 2.88Å |
| 413 | E | 55.4 | Low | 58 | Low | 110 Ų | 110 | 123.6 Ų | 123.6 | 51% | 0.514 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.6 | -45.4 | 178.7 | -161.2 | 146.2 | -133.3 | 0 | 0 | 111.5 | R409 L410 K415 R416 N417 | R409-E413 PolarHBondContact O-N 3.17Å; L410-E413 PolarHBondContact O-N 3.05Å; E413-K415 VanDerWaalsContact C-N 3.31Å; E413-K415 PolarHBondContact O-N 2.94Å; E413-R416 PolarHBondContact O-N 2.89Å; E413-R416 VanDerWaalsContact O-N 3.14Å; E413-N417 PolarHBondContact O-N 2.71Å; E413-N417 PolarHBondContact O-OD1 3.2Å |
| 414 | L | 58 | Low | 56.7 | Low | 102 Ų | 102 | 122.1 Ų | 122.1 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.2 | -36.3 | 171.8 | -71.8 | 166.1 | 0 | 0 | 0 | 112.3 | L410 R418 | L410-L414 WeakPolarHBondContact O-CB 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.31Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 3.45Å; L414-R418 WeakPolarHBondContact O-CB 3.44Å; L414-R418 WeakPolarHBondContact O-CG 3.41Å; L414-R418 PolarHBondContact O-N 2.99Å |
| 415 | K | 58.6 | Low | 55.8 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.6 | -25.6 | 174.7 | -76.3 | 168.7 | -172.8 | 159.1 | 0 | 113.8 | D411 E413 | D411-K415 VanDerWaalsContact O-CB 3.25Å; D411-K415 WeakPolarHBondContact O-CB 3.47Å; D411-K415 VanDerWaalsContact O-CD 3.28Å; D411-K415 WeakPolarHBondContact O-CD 3.49Å; D411-K415 WeakPolarHBondContact O-CG 3.48Å; D411-K415 PolarHBondContact O-N 2.88Å; D411-K415 VanDerWaalsContact O-N 3.12Å; E413-K415 VanDerWaalsContact C-N 3.31Å; E413-K415 PolarHBondContact O-N 2.94Å |
| 416 | R | 55.8 | Low | 55 | Low | 184 Ų | 184 | 124.3 Ų | 124.3 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.3 | -51 | 170 | -74.8 | 167.3 | -174.1 | -169.2 | 0.5 | 110.4 | N412 E413 R418 R419 | N412-R416 VanDerWaalsContact O-CG 3.25Å; N412-R416 WeakPolarHBondContact O-CG 3.43Å; N412-R416 PolarHBondContact O-N 2.88Å; E413-R416 PolarHBondContact O-N 2.89Å; E413-R416 VanDerWaalsContact O-N 3.14Å; R416-R418 VanDerWaalsContact C-N 3.33Å; R416-R418 PolarHBondContact O-N 3.01Å; R416-R419 PolarHBondContact O-N 2.83Å |
| 417 | N | 58.1 | Low | 54.4 | Low | 107 Ų | 107 | 121.8 Ų | 121.8 | 57% | 0.572 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.9 | -34.5 | -175.6 | -63.9 | 0.8 | 0 | 0 | 0 | 112 | E413 R419 G420 | E413-N417 PolarHBondContact O-N 2.71Å; E413-N417 PolarHBondContact O-OD1 3.2Å; N417-R419 PolarHBondContact O-N 2.87Å; N417-G420 PolarHBondContact O-N 2.82Å |
| 418 | R | 55.1 | Low | 53.7 | Low | 225 Ų | 225 | 124.1 Ų | 124.1 | 85% | 0.849 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 1.1 | 171.4 | -72.3 | -175 | 174.9 | -173.1 | -0.6 | 115.3 | L414 R416 | L414-R418 WeakPolarHBondContact O-CB 3.44Å; L414-R418 WeakPolarHBondContact O-CG 3.41Å; L414-R418 PolarHBondContact O-N 2.99Å; R416-R418 VanDerWaalsContact C-N 3.33Å; R416-R418 PolarHBondContact O-N 3.01Å |
| 419 | R | 52 | Low | 53.3 | Low | 234 Ų | 234 | 128.7 Ų | 128.7 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 9.3 | 173.2 | -83.9 | -172.1 | 166.7 | -168.2 | -4.1 | 113.9 | R416 N417 | R416-R419 PolarHBondContact O-N 2.83Å; N417-R419 PolarHBondContact O-N 2.87Å |
| 420 | G | 46.7 | Very low | 52.8 | Low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -149.7 | 39.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | N417 | N417-G420 PolarHBondContact O-N 2.82Š|
| 421 | S | 52.7 | Low | 52.8 | Low | 114 Ų | 114 | 125.9 Ų | 125.9 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | trans | -156.5 | 74.9 | 171.6 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 422 | S | 52.9 | Low | 52.5 | Low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | -111.3 | 138.7 | 160.1 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 423 | G | 45.7 | Very low | 51.9 | Low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -53.6 | 164.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 424 | S | 49.1 | Very low | 51.6 | Low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | cis | -139 | 144 | 36.1 | 177.4 | 0 | 0 | 0 | 0 | 114.4 | F426 | S424-F426 PolarHBondContact OG-N 2.87Š| ||
| 425 | P | 52.7 | Low | 51 | Low | 128 Ų | 128 | 143.1 Ų | 143.1 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -99.6 | 13.4 | 172.1 | 40 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 426 | F | 51.8 | Low | 50.8 | Low | 171 Ų | 171 | 142.5 Ų | 142.5 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | trans | -129.7 | 102.4 | -175.9 | -124 | -96.3 | 0 | 0 | 0 | 112.2 | S424 | S424-F426 PolarHBondContact OG-N 2.87Š| ||
| 427 | A | 48.9 | Very low | 50.5 | Low | 109 Ų | 109 | 139.3 Ų | 139.3 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -158.1 | 61.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 428 | S | 46 | Very low | 50.1 | Low | 76 Ų | 76 | 142 Ų | 142 | 53% | 0.531 | 80% | 0.797 | S | S | . | * | trans | -104.3 | 166.6 | 173.3 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 429 | H | 51.4 | Low | 50 | Low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | 90.7 | 106 | 174.8 | -49.1 | 93.1 | 0 | 0 | 0 | 118.1 | ||||
| 430 | S | 46.7 | Very low | 49.8 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 58.3 | 111.9 | 132.2 | -159 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 431 | T | 55.4 | Low | 50 | Low | 140 Ų | 140 | 132.3 Ų | 132.3 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | -162.3 | 158.3 | 101.3 | 15.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 432 | N | 51.1 | Low | 49.6 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -88.4 | 135 | -173.3 | -59.8 | -72.4 | 0 | 0 | 0 | 112.8 | ||||
| 433 | R | 45.4 | Very low | 49.5 | Very low | 245 Ų | 245 | 143.5 Ų | 143.5 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | -174.1 | 152 | 120.3 | -103.4 | 171.5 | 177.7 | -151.2 | -2.5 | 113.1 | |||||
| 434 | P | 49.7 | Very low | 49.9 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -113.5 | 166.9 | -169.4 | 42 | -34.5 | 0 | 0 | 0 | 115.9 | ||||
| 435 | R | 46.3 | Very low | 50 | Low | 243 Ų | 243 | 157.8 Ų | 157.8 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | 57.1 | 105.5 | 153.7 | -71.9 | 178.6 | 174.9 | -162.8 | -1 | 119.8 | ||||
| 436 | S | 52.5 | Low | 50.5 | Low | 122 Ų | 122 | 157.5 Ų | 157.5 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | -162.7 | 139 | 111.6 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 437 | P | 49.9 | Very low | 50.7 | Low | 116 Ų | 116 | 154.5 Ų | 154.5 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -121.3 | 126.5 | 171.4 | 35.7 | -23.7 | 0 | 0 | 0 | 112.6 | ||||
| 438 | L | 50.3 | Low | 51.5 | Low | 164 Ų | 164 | 155.2 Ų | 155.2 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -173.5 | 146 | 159.9 | -109.9 | 157.4 | 0 | 0 | 0 | 113.1 | ||||
| 439 | T | 53 | Low | 52.6 | Low | 144 Ų | 144 | 157.8 Ų | 157.8 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | 64.5 | 172 | 174.9 | 78.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 440 | G | 47.7 | Very low | 52.4 | Low | 68 Ų | 68 | 155.6 Ų | 155.6 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | 136.2 | 12.4 | 163 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 441 | S | 50.4 | Low | 52.3 | Low | 112 Ų | 112 | 155.3 Ų | 155.3 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | trans | 66.7 | 167.3 | 170.8 | -160 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 442 | R | 45.8 | Very low | 52.1 | Low | 232 Ų | 232 | 159.6 Ų | 159.6 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | -126.5 | 122.2 | -176.3 | -50.6 | 173 | -164.2 | 160.9 | 4.6 | 110.2 | ||||
| 443 | Y | 49.4 | Very low | 52.3 | Low | 232 Ų | 232 | 158.8 Ų | 158.8 | 91% | 0.91 | 83% | 0.834 | S | S | * | * | trans | -103.2 | 95.4 | 163.8 | -80.6 | -81.5 | 0 | 0 | 0 | 110.6 | ||||
| 444 | R | 54.7 | Low | 52.4 | Low | 241 Ų | 241 | 150.7 Ų | 150.7 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 136.7 | 165.6 | -97.1 | -169.6 | 174.4 | -166 | -0.3 | 110 | ||
| 445 | R | 51.6 | Low | 52.8 | Low | 238 Ų | 238 | 151.2 Ų | 151.2 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 127.3 | -179.5 | -166.5 | 173.9 | -173.1 | -120.1 | 8 | 111 | ||
| 446 | P | 62.3 | Low | 53.1 | Low | 121 Ų | 121 | 149.5 Ų | 149.5 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 152.8 | 177.9 | -20.4 | 33.2 | 0 | 0 | 0 | 113.6 | ||
| 447 | S | 55.3 | Low | 52.9 | Low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 149.8 | 168 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 448 | P | 66.9 | Low | 53.3 | Low | 124 Ų | 124 | 154.2 Ų | 154.2 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134.6 | 178.5 | 29.6 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 449 | P | 67.9 | Low | 53 | Low | 130 Ų | 130 | 157 Ų | 157 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 149.9 | 176.7 | 32.1 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 450 | S | 48 | Very low | 52.9 | Low | 124 Ų | 124 | 154.8 Ų | 154.8 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 164.4 | 174.4 | -163.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 451 | A | 45.7 | Very low | 53.1 | Low | 94 Ų | 94 | 160 Ų | 160 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 144.3 | -159.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 452 | R | 49.4 | Very low | 53 | Low | 229 Ų | 229 | 160.1 Ų | 160.1 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -159 | 158.2 | 146.4 | -128.9 | 178.8 | 173 | -164.8 | -3.6 | 113.8 | ||||
| 453 | T | 56.2 | Low | 53.6 | Low | 135 Ų | 135 | 155 Ų | 155 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | 54.8 | 115.4 | 162.2 | 53.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 454 | G | 47.2 | Very low | 53.6 | Low | 75 Ų | 75 | 153.6 Ų | 153.6 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -117.2 | 156.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 455 | P | 58.7 | Low | 53.4 | Low | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -108.2 | 141.2 | -177.9 | 37.5 | -30.8 | 0 | 0 | 0 | 115.9 | ||||
| 456 | K | 52.4 | Low | 53.2 | Low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | 10.3 | 132.2 | 151.7 | -58.3 | 178.1 | -179.5 | 178.3 | 0 | 120.7 | ||||
| 457 | R | 47.5 | Very low | 52.6 | Low | 217 Ų | 217 | 146.8 Ų | 146.8 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 155.4 | 162.8 | -56.9 | 170.1 | 65.3 | -167.9 | 7 | 112.6 | ||||
| 458 | P | 58 | Low | 52.3 | Low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -94.6 | 169.5 | 146.4 | 34.4 | -28.7 | 0 | 0 | 0 | 112.6 | ||||
| 459 | R | 45.4 | Very low | 51.6 | Low | 223 Ų | 223 | 150 Ų | 150 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -136 | 136.3 | 175.8 | -56.4 | 159 | 78.8 | 177.5 | 6.9 | 108.4 | ||||
| 460 | S | 50 | Low | 51.1 | Low | 97 Ų | 97 | 150.2 Ų | 150.2 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | trans | 177.8 | 166.8 | 140.4 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 461 | H | 51.8 | Low | 51.2 | Low | 178 Ų | 178 | 149.9 Ų | 149.9 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | 67.1 | 112.3 | 162.2 | -50.6 | -54 | 0 | 0 | 0 | 120.9 | ||||
| 462 | S | 49.1 | Very low | 51.3 | Low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -100.5 | 175.1 | 153.9 | -48.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 463 | P | 57.1 | Low | 51.2 | Low | 125 Ų | 125 | 151 Ų | 151 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | -146.8 | 173.9 | 102.4 | 38.9 | -23.5 | 0 | 0 | 0 | 117.2 | |||||
| 464 | K | 49.5 | Very low | 50.8 | Low | 201 Ų | 201 | 148.3 Ų | 148.3 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -32.5 | 163.9 | 161.5 | -62.8 | 167.4 | -179.9 | 176.3 | 0 | 116.5 | ||||
| 465 | A | 51.9 | Low | 51 | Low | 89 Ų | 89 | 150.9 Ų | 150.9 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | cis | 176.5 | 156.6 | -21.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 466 | K | 46.8 | Very low | 50.8 | Low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -166.9 | 162.9 | 136.6 | -114.4 | 170.6 | -178.5 | 177.3 | 0 | 112 | ||||
| 467 | L | 49.6 | Very low | 50.9 | Low | 158 Ų | 158 | 152.2 Ų | 152.2 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -99.6 | 157 | -175.3 | -49.4 | 97.3 | 0 | 0 | 0 | 112 | ||||
| 468 | Q | 49.5 | Very low | 50.9 | Low | 198 Ų | 198 | 148.4 Ų | 148.4 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | -156.9 | 161.1 | 125.4 | -108.1 | 169.2 | 17.6 | 0 | 0 | 110.5 | |||||
| 469 | S | 51.2 | Low | 50.7 | Low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -154.2 | 125.4 | -158.2 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 470 | T | 57.1 | Low | 50.6 | Low | 135 Ų | 135 | 143.7 Ų | 143.7 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | -156.7 | 109.1 | 157.1 | 33.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 471 | S | 51.6 | Low | 50.8 | Low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | 75.4 | 92.3 | 71.5 | 74 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 472 | G | 46.5 | Very low | 50.6 | Low | 82 Ų | 82 | 142.9 Ų | 142.9 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -157.2 | 121.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 473 | R | 47.7 | Very low | 50.3 | Low | 263 Ų | 263 | 147.6 Ų | 147.6 | 99% | 0.992 | 82% | 0.82 | S | S | * | * | trans | -98.6 | 150.7 | -171.8 | -67 | 174.5 | 171.9 | 168.7 | -4 | 111.6 | ||||
| 474 | G | 47.5 | Very low | 49.9 | Very low | 80 Ų | 80 | 153 Ų | 153 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -174 | 49.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 475 | D | 52.4 | Low | 49.9 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 69% | 0.69 | 82% | 0.816 | S | S | * | * | trans | -65.5 | 162.2 | 167.9 | -82.7 | -36.1 | 0 | 0 | 0 | 112.4 | ||||
| 476 | K | 53.6 | Low | 49.9 | Very low | 161 Ų | 161 | 155.4 Ų | 155.4 | 70% | 0.7 | 82% | 0.824 | S | S | * | * | cis | -163.6 | 154.1 | -6.5 | -113.4 | 156.9 | -170.3 | 136.1 | 0 | 110.3 | ||||
| 477 | K | 55.3 | Low | 49.8 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | 26.5 | 141.7 | 153.3 | -66.2 | -172.9 | 174.5 | -174.9 | 0 | 123 | ||||
| 478 | P | 47.5 | Very low | 49.7 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -84.7 | 168.9 | 161.9 | 38 | -35.6 | 0 | 0 | 0 | 113 | ||||
| 479 | G | 53.6 | Low | 49.7 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -166.4 | 125.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 480 | D | 43 | Very low | 49.6 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -89.5 | 123.8 | 168.5 | -77.1 | -66 | 0 | 0 | 0 | 110.9 | ||||
| 481 | V | 55.5 | Low | 48.9 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -161.7 | 151.5 | 152.1 | -113.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 482 | N | 47.3 | Very low | 48.6 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | trans | 70.3 | 123.4 | 163.2 | -61.9 | -36 | 0 | 0 | 0 | 117.5 | ||||
| 483 | R | 42.6 | Very low | 48.4 | Very low | 212 Ų | 212 | 151.3 Ų | 151.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | 73.2 | 103.6 | 51.3 | -70.3 | -179.6 | 163.6 | 165.4 | -6.4 | 114.2 | |||||
| 484 | R | 48 | Very low | 48 | Very low | 238 Ų | 238 | 143.5 Ų | 143.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -168.1 | 117.4 | 131.1 | -91.6 | 143.7 | -168.9 | -164.2 | 4.2 | 105.8 | ||||
| 485 | D | 50.9 | Low | 47.5 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | 66.2 | 96.2 | 63.1 | -63.2 | -58.4 | 0 | 0 | 0 | 113.5 | |||||
| 486 | K | 50.3 | Low | 46.8 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 174.9 | 159.2 | 130.3 | -93.9 | 159.1 | -175.8 | -175.5 | 0 | 111.8 | ||||
| 487 | K | 45 | Very low | 46.3 | Very low | 189 Ų | 189 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | -171.6 | 123 | -43.4 | -176.3 | -179.1 | -177.7 | -174.2 | 0 | 108 | ||||
| 488 | A | 48.5 | Very low | 45.4 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | 61 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 489 | S | 48 | Very low | 45 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | cis | -150.1 | 149.2 | 4.6 | 53 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 490 | S | 49.8 | Very low | 44.3 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 60.4 | 153.9 | 144.3 | 58.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 491 | R | 43.5 | Very low | 44.1 | Very low | 232 Ų | 232 | 135.7 Ų | 135.7 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | cis | -167.5 | 177.5 | -17.4 | -106.5 | 175.4 | 172.4 | 170.2 | -5 | 106.5 | ||||
| 492 | S | 43.5 | Very low | 43.3 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 22.5 | 140.9 | 145.4 | 62.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 493 | S | 43.4 | Very low | 43 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | cis | -177.4 | -164.9 | 2.5 | 43.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 494 | S | 40 | Very low | 42.7 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 29.8 | 139 | 138.6 | 61.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 495 | S | 36.8 | Very low | 42.5 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | cis | 170.5 | 169.8 | -1.8 | 48 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 496 | S | 37.9 | Very low | 41.9 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 60.4 | 163.4 | 168.6 | 28.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 497 | S | 41.9 | Very low | 41.2 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -146.6 | 166.9 | -15.8 | 35.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 498 | S | 37.2 | Very low | 41.1 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -46.5 | 141.7 | 170.5 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 499 | N | 39.4 | Very low | 40.6 | Very low | 164 Ų | 164 | 117.7 Ų | 117.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | -147.5 | 132.5 | 129.8 | -124.8 | -13.6 | 0 | 0 | 0 | 112.4 | |||||
| 500 | S | 38.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -94.1 | 131.1 | 176.8 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 501 | G | 38 | Very low | 40 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -137.6 | 72.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 502 | S | 38.2 | Very low | 40 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -93.1 | 112.6 | 171.4 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 503 | S | 42.5 | Very low | 39.9 | Very low | 116 Ų | 116 | 114.5 Ų | 114.5 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -121.8 | 95.6 | 175.7 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 504 | S | 36.1 | Very low | 39.8 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -72.4 | 128.7 | 158 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 505 | S | 43.2 | Very low | 40 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -107.2 | 131.9 | 166.3 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 506 | S | 39.5 | Very low | 40.2 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | -112.6 | 148.8 | -169.3 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 507 | S | 35.6 | Very low | 40.5 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | 29.4 | 117.8 | 146.8 | 61.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 508 | S | 41.8 | Very low | 40.6 | Very low | 129 Ų | 129 | 119 Ų | 119 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -138.8 | 151.8 | 144.9 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 509 | S | 37.2 | Very low | 41 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | -137.1 | 133 | -162.4 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 510 | S | 45 | Very low | 41.1 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | trans | -152.9 | 127.7 | 158.9 | 59.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 511 | N | 40.2 | Very low | 41.6 | Very low | 152 Ų | 152 | 117.2 Ų | 117.2 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | 44.9 | 130.8 | 73.7 | -75.7 | 1.5 | 0 | 0 | 0 | 112.7 | |||||
| 512 | S | 44.8 | Very low | 42 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | cis | -164.3 | 155 | 1.3 | 45.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 513 | G | 41.6 | Very low | 42.8 | Very low | 85 Ų | 85 | 119 Ų | 119 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | 176.4 | 81.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 514 | S | 40.5 | Very low | 43.3 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | -98.6 | 129 | 178.6 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 515 | S | 45.2 | Very low | 44.4 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | trans | -154.3 | 124.6 | 149.4 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 516 | S | 40.1 | Very low | 44.7 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -107.4 | 137.5 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 517 | S | 45.4 | Very low | 45.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 90% | 0.902 | 86% | 0.861 | S | S | * | * | trans | -142.6 | 129.9 | 156 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 518 | S | 41.9 | Very low | 45.6 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 86% | 0.864 | S | S | * | * | trans | -114.3 | 136.4 | -175.3 | 54.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 519 | S | 45.6 | Very low | 45.8 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 86% | 0.862 | S | S | * | * | trans | -159 | 106.5 | 154.8 | 41.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 520 | S | 42.3 | Very low | 46.3 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 86% | 0.863 | S | S | * | * | trans | -94.5 | 120.6 | 166.8 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 521 | S | 48.5 | Very low | 46.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 87% | 0.869 | S | S | * | * | trans | -132.8 | 68.8 | 179.1 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | S523 | S521-S523 PolarHBondContact O-N 3.25Š| ||
| 522 | S | 47.6 | Very low | 46.8 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 87% | 0.872 | S | S | * | * | trans | -83.4 | 88.6 | 170 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 523 | S | 53.5 | Low | 46.9 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 88% | 0.875 | S | S | * | * | trans | -81.1 | 121.5 | 172.3 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | S521 | S521-S523 PolarHBondContact O-N 3.25Š| ||
| 524 | R | 54.5 | Low | 47.3 | Very low | 235 Ų | 235 | 137.3 Ų | 137.3 | 89% | 0.887 | 88% | 0.875 | S | S | * | * | trans | -149.8 | 95 | 168.1 | -139.8 | 177 | -174.8 | -168.1 | -0.9 | 109.8 | ||||
| 525 | S | 58.6 | Low | 47.8 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 88% | 0.877 | S | S | * | * | trans | -80.3 | 139.3 | -179.5 | 42.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 526 | H | 50.4 | Low | 48 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 85% | 0.847 | 88% | 0.876 | S | S | * | * | trans | -127.9 | 95.8 | 168.2 | -89.9 | -73.4 | 0 | 0 | 0 | 108.8 | ||||
| 527 | S | 48.1 | Very low | 48.7 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 100% | 1.322 | 88% | 0.88 | S | S | * | * | trans | -173.8 | 0 | 164.7 | 58.5 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 527 of 527 residues in 62.9 ms
(Link to these results)