| 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 | 38 | Very low | 40.6 | Very low | 240 Ų | 240 | 152 Ų | 152 | 100% | 1.182 | 83% | 0.832 | S | S | * | * | 0 | 126.5 | 0 | -96.4 | 178.1 | 173.7 | 0 | 0 | 107.8 | |||||
| 2 | K | 38.6 | Very low | 40.5 | Very low | 198 Ų | 198 | 155.3 Ų | 155.3 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | trans | 73.4 | 138 | 173.5 | -54.7 | -179.7 | 174.6 | -179 | 0 | 117.7 | ||||
| 3 | E | 38.5 | Very low | 40 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 76% | 0.757 | 84% | 0.836 | S | S | * | * | cis | -163.4 | 127.5 | -27 | -88.3 | -138.2 | 164.9 | 0 | 0 | 104.1 | ||||
| 4 | E | 46.6 | Very low | 39.8 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | 50.8 | 120.2 | 119.6 | -85.3 | -163.2 | 100.5 | 0 | 0 | 117.6 | |||||
| 5 | S | 37.8 | Very low | 39.8 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | 174.5 | 144.5 | 109.4 | 42.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 6 | M | 39.7 | Very low | 39.8 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -106.7 | 138.8 | -171.2 | -176.3 | 97.8 | 91.7 | 0 | 0 | 110.4 | ||||
| 7 | C | 33.9 | Very low | 39.5 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 66.6 | 164.4 | 155 | -76.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 8 | P | 54.1 | Low | 39.6 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -138.3 | -167.7 | -27 | 33.9 | -12.3 | 0 | 0 | 0 | 113.2 | ||||
| 9 | D | 29.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 100.6 | 119.4 | 149.6 | -148.6 | 40.1 | 0 | 0 | 0 | 119.6 | ||||
| 10 | S | 41.9 | Very low | 39.8 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -72.4 | 152.6 | 165.4 | -79.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | P | 47.8 | Very low | 39.7 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | -131.9 | 139.5 | 123.5 | 22.7 | -5.7 | 0 | 0 | 0 | 112.2 | G13 | P11-G13 PolarHBondContact O-N 2.89Š| |||
| 12 | E | 39.4 | Very low | 39.9 | Very low | 192 Ų | 192 | 131 Ų | 131 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -51.4 | 116.5 | 170.9 | -66.7 | -178.6 | 113.6 | 0 | 0 | 111.3 | S14 | E12-S14 PolarHBondContact O-N 2.94Š| ||
| 13 | G | 34.4 | Very low | 39.9 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -78.5 | 94.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P11 L15 | P11-G13 PolarHBondContact O-N 2.89Å; G13-L15 PolarHBondContact O-N 2.78Å; G13-L15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | S | 37.3 | Very low | 40 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | -42.5 | 112.3 | 172.9 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | E12 V16 | E12-S14 PolarHBondContact O-N 2.94Å; S14-V16 PolarHBondContact O-N 3.22Å | ||
| 15 | L | 39.4 | Very low | 40.1 | Very low | 157 Ų | 157 | 126 Ų | 126 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | -71.2 | 84 | 162 | -167 | 114.4 | 0 | 0 | 0 | 107.1 | G13 T17 | G13-L15 PolarHBondContact O-N 2.78Å; G13-L15 VanDerWaalsContact O-N 3.15Å; L15-T17 PolarHBondContact O-N 2.86Å | ||
| 16 | V | 39.4 | Very low | 40.7 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | trans | -64.8 | 111.1 | 173.7 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | S14 | S14-V16 PolarHBondContact O-N 3.22Š| ||
| 17 | T | 34.3 | Very low | 41 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 43% | 0.429 | 70% | 0.704 | S | S | . | * | trans | -61.3 | 133.6 | -178.7 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | L15 E19 | L15-T17 PolarHBondContact O-N 2.86Å; T17-E19 PolarHBondContact O-N 3.46Å | ||
| 18 | S | 42.5 | Very low | 41.2 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 22.6 | 176.4 | -49.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 19 | E | 45.2 | Very low | 40.8 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -22.5 | -173 | -61.4 | -174.6 | 124.9 | 0 | 0 | 111.8 | T17 E21 | T17-E19 PolarHBondContact O-N 3.46Å; E19-E21 PolarHBondContact O-N 2.94Å |
| 20 | E | 38.2 | Very low | 41.5 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 60% | 0.603 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.1 | -16.8 | -177.6 | -73.3 | -147.6 | 123.4 | 0 | 0 | 115.1 | ||
| 21 | E | 36.3 | Very low | 41.5 | Very low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.6 | -27 | 176 | -84.1 | -155.5 | 110.8 | 0 | 0 | 113.3 | E19 E23 R24 | E19-E21 PolarHBondContact O-N 2.94Å; E21-E23 PolarHBondContact O-N 3.19Å; E21-R24 PolarHBondContact O-N 3.46Å |
| 22 | G | 41.8 | Very low | 41.3 | Very low | 50 Ų | 50 | 138 Ų | 138 | 52% | 0.515 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -67.1 | -36.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 23 | E | 40.5 | Very low | 41.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 59% | 0.589 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -73 | -29.6 | -178.8 | -101.9 | -171.6 | 118.1 | 0 | 0 | 113.5 | E21 L25 H26 | E21-E23 PolarHBondContact O-N 3.19Å; E23-L25 VanDerWaalsContact C-N 3.25Å; E23-L25 PolarHBondContact O-N 3.32Å; E23-H26 PolarHBondContact O-N 3.24Å |
| 24 | R | 40.4 | Very low | 41.5 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -65.8 | -29.9 | 179.8 | -70.1 | -176 | 179 | -151.6 | 0.5 | 112.3 | E21 | E21-R24 PolarHBondContact O-N 3.46Å |
| 25 | L | 47.1 | Very low | 41.5 | Very low | 107 Ų | 107 | 144 Ų | 144 | 56% | 0.56 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -79.4 | -28.8 | 177.5 | -64.7 | 176.4 | 0 | 0 | 0 | 112.8 | E23 K27 K28 | E23-L25 VanDerWaalsContact C-N 3.25Å; E23-L25 PolarHBondContact O-N 3.32Å; L25-K27 VanDerWaalsContact C-N 3.32Å; L25-K27 PolarHBondContact O-N 2.88Å; L25-K28 PolarHBondContact O-N 3.11Å |
| 26 | H | 51.5 | Low | 41.3 | Very low | 150 Ų | 150 | 143 Ų | 143 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -63.7 | -38 | 179.5 | -143.8 | 155.5 | 0 | 0 | 0 | 111.7 | E23 K28 | E23-H26 PolarHBondContact O-N 3.24Å; H26-K28 PolarHBondContact O-N 3.49Å |
| 27 | K | 45.1 | Very low | 40.9 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 65% | 0.648 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -74.7 | -21.7 | -179.1 | -63.1 | -177.1 | -177.2 | 172.7 | 0 | 114 | L25 | L25-K27 VanDerWaalsContact C-N 3.32Å; L25-K27 PolarHBondContact O-N 2.88Å |
| 28 | K | 39.5 | Very low | 41.1 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -79.6 | -27 | -179.5 | -159.8 | 171.7 | -175.5 | 177.8 | 0 | 112.8 | L25 H26 | L25-K28 PolarHBondContact O-N 3.11Å; H26-K28 PolarHBondContact O-N 3.49Å |
| 29 | C | 44.3 | Very low | 40.8 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 72% | 0.716 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -69 | -38.2 | 176.8 | -167.2 | 0 | 0 | 0 | 0 | 112.1 | R31 | C29-R31 PolarHBondContact O-N 3.43Å |
| 30 | L | 44.7 | Very low | 40.4 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -74.7 | -26.4 | -175.1 | -152.6 | 68.6 | 0 | 0 | 0 | 113.5 | K32 | L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 2.98Å |
| 31 | R | 42.5 | Very low | 40.6 | Very low | 230 Ų | 230 | 150.3 Ų | 150.3 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -10.5 | -176.7 | -84.5 | -177.5 | 150.4 | -179.7 | -5.9 | 115.5 | C29 R33 | C29-R31 PolarHBondContact O-N 3.43Å; R31-R33 VanDerWaalsContact C-N 3.35Å |
| 32 | K | 44.4 | Very low | 40.4 | Very low | 205 Ų | 205 | 150.2 Ų | 150.2 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 9.8 | -179.2 | -123.6 | -178 | -176.8 | 179.2 | 0 | 114.3 | L30 | L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 2.98Å |
| 33 | R | 44.2 | Very low | 40.5 | Very low | 234 Ų | 234 | 153.6 Ų | 153.6 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -120.7 | 82.3 | -177.7 | -149.7 | 174.7 | -179.3 | -173 | -1.4 | 109.7 | R31 | R31-R33 VanDerWaalsContact C-N 3.35Š| ||
| 34 | G | 32.8 | Very low | 40.4 | Very low | 68 Ų | 68 | 153.1 Ų | 153.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -169.1 | 125.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 35 | Q | 38.6 | Very low | 40.7 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | 82.9 | 126.7 | 169.8 | -78.7 | -173.5 | 41.2 | 0 | 0 | 117.3 | ||||
| 36 | V | 33.5 | Very low | 40.4 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | cis | -158.1 | 153.6 | 10.2 | 145 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 37 | G | 31.5 | Very low | 40.1 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 166.7 | 79.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 38 | K | 38.9 | Very low | 40.1 | Very low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -90.7 | 127.5 | 169 | 179.1 | -174.4 | -179.3 | -175.1 | 0 | 108.3 | ||||
| 39 | L | 36 | Very low | 40.7 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | 159.6 | 122 | 141.4 | -88 | 151.6 | 0 | 0 | 0 | 112.3 | ||||
| 40 | T | 36.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | 49 | 135.3 | 142.4 | 54.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 41 | E | 43.1 | Very low | 40.2 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -52.8 | 134.8 | 168 | -62.6 | 177.1 | 113.7 | 0 | 0 | 112.6 | ||||
| 42 | D | 30.5 | Very low | 40.5 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | -172.6 | 149.2 | 114.4 | -117 | -49.4 | 0 | 0 | 0 | 112 | |||||
| 43 | C | 44.3 | Very low | 40.8 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -68.1 | 125.8 | 179.9 | -80.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 44 | S | 38.5 | Very low | 41.1 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -179.1 | 128.3 | 139.9 | -82.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 45 | A | 47.4 | Very low | 42.2 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -60.3 | 145.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 46 | P | 41 | Very low | 43.2 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | -140.6 | 144.9 | 118.9 | 30.7 | -14.4 | 0 | 0 | 0 | 113.3 | |||||
| 47 | S | 45.3 | Very low | 44.4 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -70.1 | 142.7 | 161.8 | -166.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 48 | P | 45.3 | Very low | 45.9 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | -142.9 | 150.7 | 127.4 | 28.3 | -9.3 | 0 | 0 | 0 | 114.6 | G50 | P48-G50 PolarHBondContact O-N 2.91Š| |||
| 49 | Q | 50.4 | Low | 46.9 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -51.7 | 122.7 | 178.3 | -65.4 | 165.1 | -21.1 | 0 | 0 | 113.3 | ||||
| 50 | G | 38.7 | Very low | 48.2 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -116.2 | 98 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P48 | P48-G50 PolarHBondContact O-N 2.91Š| ||
| 51 | K | 41.3 | Very low | 49.9 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | trans | -2.7 | 110.9 | 166.6 | -60.9 | 174.2 | -176.8 | 176.5 | 0 | 116.3 | S53 | K51-S53 PolarHBondContact O-N 3.48Š| ||
| 52 | R | 48.7 | Very low | 51.4 | Low | 249 Ų | 249 | 137.4 Ų | 137.4 | 94% | 0.94 | 77% | 0.77 | S | S | * | * | trans | -57.4 | 96.1 | 161 | -78.2 | 178.1 | 155.5 | -179.3 | -6.6 | 109.4 | K54 | R52-K54 VanDerWaalsContact C-N 3.32Å; R52-K54 PolarHBondContact O-N 3.41Å | ||
| 53 | S | 50.9 | Low | 53.6 | Low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | -64.8 | 96.7 | 163.1 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | K51 R55 | K51-S53 PolarHBondContact O-N 3.48Å; S53-R55 PolarHBondContact O-N 3.13Å | ||
| 54 | K | 50.6 | Low | 55.6 | Low | 206 Ų | 206 | 133.8 Ų | 133.8 | 90% | 0.896 | 74% | 0.739 | S | S | * | * | trans | -60.3 | 85.1 | 164.3 | -75 | -175.3 | 175.7 | 179.5 | 0 | 107.7 | R52 S56 | R52-K54 VanDerWaalsContact C-N 3.32Å; R52-K54 PolarHBondContact O-N 3.41Å; K54-S56 PolarHBondContact O-N 3.03Å | ||
| 55 | R | 56 | Low | 58 | Low | 223 Ų | 223 | 130.2 Ų | 130.2 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | trans | -70.5 | 109 | 162.4 | -75.2 | -175.6 | -172 | -178.3 | 2.5 | 105.6 | S53 | S53-R55 PolarHBondContact O-N 3.13Š| ||
| 56 | S | 57.9 | Low | 60 | Low | 89 Ų | 89 | 130.3 Ų | 130.3 | 62% | 0.622 | 70% | 0.695 | S | S | * | * | trans | -43.1 | 141.2 | 161.5 | 41 | 0 | 0 | 0 | 0 | 109.9 | K54 V58 | K54-S56 PolarHBondContact O-N 3.03Å; S56-V58 PolarHBondContact O-N 3.36Å | ||
| 57 | P | 58.5 | Low | 62.4 | Low | 132 Ų | 132 | 127.7 Ų | 127.7 | 86% | 0.857 | 68% | 0.677 | S | S | * | * | trans | -65.4 | 99.4 | 175.4 | -6.3 | 20.9 | 0 | 0 | 0 | 107.8 | ||||
| 58 | V | 63.5 | Low | 64.7 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | trans | -66.2 | 129.5 | 165.9 | 179.7 | 0 | 0 | 0 | 0 | 105.5 | S56 Q60 | S56-V58 PolarHBondContact O-N 3.36Å; V58-Q60 PolarHBondContact O-N 3.38Å | ||
| 59 | P | 61.3 | Low | 67.2 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | trans | -56.1 | 113.3 | 174.2 | 22.1 | -30.3 | 0 | 0 | 0 | 107.2 | S61 | P59-S61 PolarHBondContact O-N 3.34Š| ||
| 60 | Q | 62.6 | Low | 69.3 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | trans | -58 | 125.4 | -179.8 | -67.6 | -176.9 | -67.6 | 0 | 0 | 107.3 | V58 F62 V65 | V58-Q60 PolarHBondContact O-N 3.38Å; Q60-F62 PolarHBondContact O-N 2.91Å; Q60-V65 HydrophobicContact CB-CG2 3.94Å | ||
| 61 | S | 73.2 | Confident | 72 | Confident | 59 Ų | 59 | 122.5 Ų | 122.5 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | trans | -56.2 | 141.2 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | P59 E63 D64 V65 | P59-S61 PolarHBondContact O-N 3.34Å; S61-E63 PolarHBondContact O-N 3.48Å; S61-E63 VanDerWaalsContact O-N 3.11Å; S61-E63 PolarHBondContact OG-N 2.93Å; S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 WeakPolarHBondContact O-CB 3.49Å; S61-D64 PolarHBondContact O-N 2.98Å; S61-V65 PolarHBondContact O-N 2.75Å | ||
| 62 | F | 73.9 | Confident | 74.7 | Confident | 156 Ų | 156 | 115.1 Ų | 115.1 | 68% | 0.684 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -51.6 | -35.2 | 175.6 | -178.8 | -99.2 | 0 | 0 | 0 | 111.5 | Q60 D64 V65 H66 | Q60-F62 PolarHBondContact O-N 2.91Å; F62-D64 PolarHBondContact O-N 3.49Å; F62-V65 PolarHBondContact O-N 3.5Å; F62-H66 PolarHBondContact O-N 2.98Å |
| 63 | E | 76.8 | Confident | 77 | Confident | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -37.8 | 174.7 | -64.7 | -60.4 | 111 | 0 | 0 | 113.3 | S61 H66 T67 | S61-E63 PolarHBondContact O-N 3.48Å; S61-E63 VanDerWaalsContact O-N 3.11Å; S61-E63 PolarHBondContact OG-N 2.93Å; E63-H66 PolarHBondContact O-N 2.9Å; E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.47Å; E63-T67 PolarHBondContact O-OG1 3.46Å |
| 64 | D | 85.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 47% | 0.465 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -39.3 | 177.8 | -68.8 | -41 | 0 | 0 | 0 | 110.9 | S61 F62 T67 Q68 | S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 WeakPolarHBondContact O-CB 3.49Å; S61-D64 PolarHBondContact O-N 2.98Å; F62-D64 PolarHBondContact O-N 3.49Å; D64-T67 PolarHBondContact O-N 3.35Å; D64-Q68 WeakPolarHBondContact O-CB 3.43Å; D64-Q68 VanDerWaalsContact O-CG 3.23Å; D64-Q68 WeakPolarHBondContact O-CG 3.46Å; D64-Q68 PolarHBondContact O-N 3.44Å |
| 65 | V | 89 | Confident | 81.5 | Confident | 42 Ų | 42 | 107.3 Ų | 107.3 | 26% | 0.255 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.3 | -42.8 | 177.1 | 180 | 0 | 0 | 0 | 0 | 110.6 | Q60 S61 F62 Q68 R69 | Q60-V65 HydrophobicContact CB-CG2 3.94Å; S61-V65 PolarHBondContact O-N 2.75Å; F62-V65 PolarHBondContact O-N 3.5Å; V65-Q68 PolarHBondContact O-N 2.95Å; V65-R69 WeakPolarHBondContact O-CG 3.23Å; V65-R69 PolarHBondContact O-N 3.22Å |
| 66 | H | 90.9 | Very high | 83.5 | Confident | 103 Ų | 103 | 100.9 Ų | 100.9 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.2 | -172.8 | 79.3 | 0 | 0 | 0 | 111.2 | F62 E63 Q68 R69 V70 | F62-H66 PolarHBondContact O-N 2.98Å; E63-H66 PolarHBondContact O-N 2.9Å; H66-Q68 VanDerWaalsContact C-N 3.32Å; H66-Q68 PolarHBondContact O-N 3.37Å; H66-R69 WeakPolarHBondContact O-CB 3.38Å; H66-R69 PolarHBondContact O-N 2.73Å; H66-R69 VanDerWaalsContact O-N 3.13Å; H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 2.96Å |
| 67 | T | 91.4 | Very high | 85.4 | Confident | 62 Ų | 62 | 105.4 Ų | 105.4 | 38% | 0.38 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | E63 D64 R69 V70 I71 | E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.47Å; E63-T67 PolarHBondContact O-OG1 3.46Å; D64-T67 PolarHBondContact O-N 3.35Å; T67-R69 PolarHBondContact O-N 2.65Å; T67-V70 PolarHBondContact O-N 3.25Å; T67-I71 HydrophobicContact CG2-CD1 3.94Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.05Å |
| 68 | Q | 93.7 | Very high | 87.3 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176 | -77.7 | 176.9 | -1.8 | 0 | 0 | 112.5 | D64 V65 H66 I71 A72 | D64-Q68 WeakPolarHBondContact O-CB 3.43Å; D64-Q68 VanDerWaalsContact O-CG 3.23Å; D64-Q68 WeakPolarHBondContact O-CG 3.46Å; D64-Q68 PolarHBondContact O-N 3.44Å; V65-Q68 PolarHBondContact O-N 2.95Å; H66-Q68 VanDerWaalsContact C-N 3.32Å; H66-Q68 PolarHBondContact O-N 3.37Å; Q68-I71 PolarHBondContact O-N 3.25Å; Q68-A72 WeakPolarHBondContact O-CB 3.3Å; Q68-A72 PolarHBondContact O-N 3.5Å |
| 69 | R | 95.9 | Very high | 89 | Confident | 160 Ų | 160 | 107.6 Ų | 107.6 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 175.6 | -72.9 | 176.9 | -178.2 | 174.3 | 1.7 | 111.7 | V65 H66 T67 I71 A72 N73 | V65-R69 WeakPolarHBondContact O-CG 3.23Å; V65-R69 PolarHBondContact O-N 3.22Å; H66-R69 WeakPolarHBondContact O-CB 3.38Å; H66-R69 PolarHBondContact O-N 2.73Å; H66-R69 VanDerWaalsContact O-N 3.13Å; T67-R69 PolarHBondContact O-N 2.65Å; R69-I71 PolarHBondContact O-N 3.48Å; R69-A72 PolarHBondContact O-N 3.33Å; R69-N73 VanDerWaalsContact O-CG 3.28Å; R69-N73 PolarHBondContact O-N 2.92Å; R69-N73 PolarHBondContact O-ND2 3.25Å |
| 70 | V | 96.2 | Very high | 90.8 | Very high | 54 Ų | 54 | 104.5 Ų | 104.5 | 33% | 0.327 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | H66 T67 A72 N73 V74 | H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 2.96Å; T67-V70 PolarHBondContact O-N 3.25Å; V70-A72 VanDerWaalsContact C-N 3.31Å; V70-A72 PolarHBondContact O-N 3.25Å; V70-N73 PolarHBondContact O-N 3.47Å; V70-V74 WeakPolarHBondContact O-CG2 3.4Å; V70-V74 PolarHBondContact O-N 3.2Å |
| 71 | I | 95.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 40% | 0.395 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 177.6 | -67.2 | 166.8 | 0 | 0 | 0 | 111.2 | T67 Q68 R69 V74 R75 | T67-I71 HydrophobicContact CG2-CD1 3.94Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.05Å; Q68-I71 PolarHBondContact O-N 3.25Å; R69-I71 PolarHBondContact O-N 3.48Å; I71-V74 PolarHBondContact O-N 3.35Å; I71-R75 WeakPolarHBondContact O-CG 3.44Å; I71-R75 PolarHBondContact O-N 3.02Å |
| 72 | A | 96.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 103.1 Ų | 103.1 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q68 R69 V70 V74 R75 E76 | Q68-A72 WeakPolarHBondContact O-CB 3.3Å; Q68-A72 PolarHBondContact O-N 3.5Å; R69-A72 PolarHBondContact O-N 3.33Å; V70-A72 VanDerWaalsContact C-N 3.31Å; V70-A72 PolarHBondContact O-N 3.25Å; A72-V74 PolarHBondContact O-N 3.34Å; A72-R75 PolarHBondContact O-N 3.32Å; A72-E76 PolarHBondContact O-N 3.49Å |
| 73 | N | 98.2 | Very high | 94.8 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 61% | 0.61 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 177.2 | -71.6 | -16.5 | 0 | 0 | 0 | 112.1 | R69 V70 E76 R77 | R69-N73 VanDerWaalsContact O-CG 3.28Å; R69-N73 PolarHBondContact O-N 2.92Å; R69-N73 PolarHBondContact O-ND2 3.25Å; V70-N73 PolarHBondContact O-N 3.47Å; N73-E76 PolarHBondContact O-N 3.25Å; N73-R77 WeakPolarHBondContact O-CB 3.36Å; N73-R77 PolarHBondContact O-N 3.44Å |
| 74 | V | 97.8 | Very high | 95.8 | Very high | 92 Ų | 92 | 96.2 Ų | 96.2 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 175.6 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | V70 I71 A72 E76 R77 Q78 | V70-V74 WeakPolarHBondContact O-CG2 3.4Å; V70-V74 PolarHBondContact O-N 3.2Å; I71-V74 PolarHBondContact O-N 3.35Å; A72-V74 PolarHBondContact O-N 3.34Å; V74-E76 VanDerWaalsContact C-N 3.35Å; V74-E76 PolarHBondContact O-N 2.96Å; V74-R77 PolarHBondContact O-N 2.92Å; V74-Q78 PolarHBondContact O-N 3.34Å |
| 75 | R | 98.1 | Very high | 96.4 | Very high | 181 Ų | 181 | 95.8 Ų | 95.8 | 68% | 0.683 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 177.4 | -73.6 | 174.4 | 179.2 | 172.7 | 0.6 | 112.2 | I71 A72 R77 Q78 R79 | I71-R75 WeakPolarHBondContact O-CG 3.44Å; I71-R75 PolarHBondContact O-N 3.02Å; A72-R75 PolarHBondContact O-N 3.32Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-Q78 PolarHBondContact O-N 3.47Å; R75-R79 PolarHBondContact O-N 3.4Å |
| 76 | E | 98.3 | Very high | 96.8 | Very high | 87 Ų | 87 | 96.2 Ų | 96.2 | 41% | 0.407 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 178.9 | 179.5 | 54.7 | -162.1 | 0 | 0 | 112.1 | A72 N73 V74 Q78 R79 T80 | A72-E76 PolarHBondContact O-N 3.49Å; N73-E76 PolarHBondContact O-N 3.25Å; V74-E76 VanDerWaalsContact C-N 3.35Å; V74-E76 PolarHBondContact O-N 2.96Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 3.03Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 IonicContact OE1-CZ 3.8Å; E76-R79 IonicContact OE1-NH1 2.65Å; E76-R79 PolarHBondContact OE1-NH1 3.46Å; E76-R79 IonicContact OE2-CZ 3.81Å; E76-R79 IonicContact OE2-NH1 2.73Å; E76-R79 PolarHBondContact OE2-NH1 2.97Å; E76-T80 WeakPolarHBondContact O-CB 3.39Å; E76-T80 PolarHBondContact O-N 2.99Å; E76-T80 PolarHBondContact O-OG1 3.25Å |
| 77 | R | 98.4 | Very high | 97.1 | Very high | 185 Ų | 185 | 93 Ų | 93 | 70% | 0.698 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 171.5 | -166.6 | -177.1 | -143.4 | -80.3 | 1.5 | 111.1 | N73 V74 R75 T80 Q81 | N73-R77 WeakPolarHBondContact O-CB 3.36Å; N73-R77 PolarHBondContact O-N 3.44Å; V74-R77 PolarHBondContact O-N 2.92Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R77-T80 PolarHBondContact O-N 3.05Å; R77-Q81 WeakPolarHBondContact O-CB 3.45Å; R77-Q81 PolarHBondContact O-N 3.49Å |
| 78 | Q | 98.4 | Very high | 97.3 | Very high | 129 Ų | 129 | 92.2 Ų | 92.2 | 60% | 0.603 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 177.9 | -174.2 | 61 | 30 | 0 | 0 | 112.1 | V74 R75 E76 T80 Q81 S82 | V74-Q78 PolarHBondContact O-N 3.34Å; R75-Q78 PolarHBondContact O-N 3.47Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 3.03Å; Q78-T80 VanDerWaalsContact C-N 3.34Å; Q78-T80 PolarHBondContact O-N 3.3Å; Q78-Q81 PolarHBondContact O-N 2.91Å; Q78-S82 PolarHBondContact O-N 2.82Å |
| 79 | R | 98.3 | Very high | 97.4 | Very high | 160 Ų | 160 | 93 Ų | 93 | 60% | 0.604 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59 | -47 | 174.8 | 177.3 | -178.2 | 150.2 | -104.5 | -12.8 | 111 | R75 E76 Q81 S82 L83 | R75-R79 PolarHBondContact O-N 3.4Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 IonicContact OE1-CZ 3.8Å; E76-R79 IonicContact OE1-NH1 2.65Å; E76-R79 PolarHBondContact OE1-NH1 3.46Å; E76-R79 IonicContact OE2-CZ 3.81Å; E76-R79 IonicContact OE2-NH1 2.73Å; E76-R79 PolarHBondContact OE2-NH1 2.97Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; R79-S82 PolarHBondContact O-N 3.13Å; R79-L83 PolarHBondContact O-N 3.44Å |
| 80 | T | 98.4 | Very high | 97.4 | Very high | 54 Ų | 54 | 87.6 Ų | 87.6 | 33% | 0.331 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 178.9 | -60.6 | 0 | 0 | 0 | 0 | 112 | E76 R77 Q78 L83 N84 | E76-T80 WeakPolarHBondContact O-CB 3.39Å; E76-T80 PolarHBondContact O-N 2.99Å; E76-T80 PolarHBondContact O-OG1 3.25Å; R77-T80 PolarHBondContact O-N 3.05Å; Q78-T80 VanDerWaalsContact C-N 3.34Å; Q78-T80 PolarHBondContact O-N 3.3Å; T80-L83 PolarHBondContact O-N 2.8Å; T80-N84 PolarHBondContact O-N 3.44Å; T80-N84 PolarHBondContact O-ND2 3.43Å |
| 81 | Q | 98.3 | Very high | 97.4 | Very high | 74 Ų | 74 | 88.7 Ų | 88.7 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 175.6 | -173.8 | 60.4 | 46.4 | 0 | 0 | 111 | R77 Q78 R79 L83 N84 D85 | R77-Q81 WeakPolarHBondContact O-CB 3.45Å; R77-Q81 PolarHBondContact O-N 3.49Å; Q78-Q81 PolarHBondContact O-N 2.91Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; Q81-L83 VanDerWaalsContact C-N 3.26Å; Q81-L83 PolarHBondContact O-N 3.36Å; Q81-N84 WeakPolarHBondContact O-CA 3.38Å; Q81-N84 WeakPolarHBondContact O-CB 3.49Å; Q81-N84 PolarHBondContact O-N 3.39Å; Q81-D85 PolarHBondContact NE2-OD1 3.13Å; Q81-D85 VanDerWaalsContact O-CG 3.22Å; Q81-D85 PolarHBondContact O-N 3.32Å |
| 82 | S | 98.3 | Very high | 97.2 | Very high | 74 Ų | 74 | 92.9 Ų | 92.9 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.7 | -38.9 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 112.6 | Q78 R79 D85 A86 | Q78-S82 PolarHBondContact O-N 2.82Å; R79-S82 PolarHBondContact O-N 3.13Å; S82-D85 PolarHBondContact O-N 2.88Å; S82-A86 PolarHBondContact O-N 3.29Å; S82-A86 VanDerWaalsContact O-N 3.13Å |
| 83 | L | 97.8 | Very high | 97 | Very high | 77 Ų | 77 | 95.5 Ų | 95.5 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 173.8 | -179.6 | 154 | 0 | 0 | 0 | 112.1 | R79 T80 Q81 D85 A86 F87 | R79-L83 PolarHBondContact O-N 3.44Å; T80-L83 PolarHBondContact O-N 2.8Å; Q81-L83 VanDerWaalsContact C-N 3.26Å; Q81-L83 PolarHBondContact O-N 3.36Å; L83-D85 VanDerWaalsContact C-N 3.31Å; L83-A86 PolarHBondContact O-N 3.35Å; L83-F87 HydrophobicContact CD2-CD2 3.63Å; L83-F87 HydrophobicContact CD2-CE2 3.87Å; L83-F87 HydrophobicContact CG-CD2 4.34Å; L83-F87 PolarHBondContact O-N 3.05Å |
| 84 | N | 97.6 | Very high | 96.7 | Very high | 54 Ų | 54 | 90.3 Ų | 90.3 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.9 | -35 | 178.9 | -69.4 | -31.6 | 0 | 0 | 0 | 111.7 | T80 Q81 F87 A88 K104 | T80-N84 PolarHBondContact O-N 3.44Å; T80-N84 PolarHBondContact O-ND2 3.43Å; Q81-N84 WeakPolarHBondContact O-CA 3.38Å; Q81-N84 WeakPolarHBondContact O-CB 3.49Å; Q81-N84 PolarHBondContact O-N 3.39Å; N84-F87 CarbonylContact O-C 3.6Å; N84-F87 WeakPolarHBondContact O-CB 3.49Å; N84-F87 PolarHBondContact O-N 3.33Å; N84-A88 PolarHBondContact O-N 3.44Å; N84-K104 WeakPolarHBondContact OD1-CE 3.44Å; N84-K104 PolarHBondContact OD1-NZ 3.15Å |
| 85 | D | 97.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 86.3 Ų | 86.3 | 41% | 0.412 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 175.3 | -62.1 | -21.2 | 0 | 0 | 0 | 110.5 | Q81 S82 L83 F87 A88 E89 | Q81-D85 PolarHBondContact NE2-OD1 3.13Å; Q81-D85 VanDerWaalsContact O-CG 3.22Å; Q81-D85 PolarHBondContact O-N 3.32Å; S82-D85 PolarHBondContact O-N 2.88Å; L83-D85 VanDerWaalsContact C-N 3.31Å; D85-F87 VanDerWaalsContact C-N 3.28Å; D85-F87 PolarHBondContact O-N 3.09Å; D85-A88 WeakPolarHBondContact O-CA 3.42Å; D85-A88 WeakPolarHBondContact O-CB 3.39Å; D85-A88 PolarHBondContact O-N 2.78Å; D85-E89 PolarHBondContact O-N 3Å |
| 86 | A | 97.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 80.4 Ų | 80.4 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S82 L83 A88 E89 L90 | S82-A86 PolarHBondContact O-N 3.29Å; S82-A86 VanDerWaalsContact O-N 3.13Å; L83-A86 PolarHBondContact O-N 3.35Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 2.92Å; A86-E89 PolarHBondContact O-N 2.97Å; A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 PolarHBondContact O-N 2.91Å |
| 87 | F | 97.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 80.8 Ų | 80.8 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.8 | -33 | 172.8 | -104.2 | -80.5 | 0 | 0 | 0 | 112.8 | L83 N84 D85 R91 K104 T107 L108 | L83-F87 HydrophobicContact CD2-CD2 3.63Å; L83-F87 HydrophobicContact CD2-CE2 3.87Å; L83-F87 HydrophobicContact CG-CD2 4.34Å; L83-F87 PolarHBondContact O-N 3.05Å; N84-F87 CarbonylContact O-C 3.6Å; N84-F87 WeakPolarHBondContact O-CB 3.49Å; N84-F87 PolarHBondContact O-N 3.33Å; D85-F87 VanDerWaalsContact C-N 3.28Å; D85-F87 PolarHBondContact O-N 3.09Å; F87-R91 WeakPolarHBondContact O-CG 3.38Å; F87-R91 PolarHBondContact O-N 3.37Å; F87-R91 PolarHBondContact O-NH1 3.27Å; F87-K104 HydrophobicContact CD1-CB 4.47Å; F87-K104 HydrophobicContact CD1-CG 4.24Å; F87-K104 HydrophobicContact CE1-CB 3.82Å; F87-K104 HydrophobicContact CE1-CG 4.02Å; F87-K104 HydrophobicContact CE2-CD 4.41Å; F87-K104 HydrophobicContact CZ-CB 4.02Å; F87-K104 HydrophobicContact CZ-CD 4.39Å; F87-K104 HydrophobicContact CZ-CG 4.2Å; F87-T107 HydrophobicContact CD1-CG2 4.19Å; F87-T107 HydrophobicContact CE1-CG2 4.45Å; F87-L108 HydrophobicContact CE1-CD2 4.09Å; F87-L108 HydrophobicContact CE1-CG 4.05Å; F87-L108 HydrophobicContact CZ-CD1 4.19Å; F87-L108 HydrophobicContact CZ-CD2 4.05Å; F87-L108 HydrophobicContact CZ-CG 4.1Å |
| 88 | A | 95.4 | Very high | 94 | Very high | 45 Ų | 45 | 78.8 Ų | 78.8 | 37% | 0.372 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.9 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N84 D85 A86 R91 K92 | N84-A88 PolarHBondContact O-N 3.44Å; D85-A88 WeakPolarHBondContact O-CA 3.42Å; D85-A88 WeakPolarHBondContact O-CB 3.39Å; D85-A88 PolarHBondContact O-N 2.78Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 2.92Å; A88-R91 PolarHBondContact O-N 3.23Å; A88-K92 PolarHBondContact O-N 3Å |
| 89 | E | 96.1 | Very high | 93 | Very high | 120 Ų | 120 | 77.7 Ų | 77.7 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.8 | -45.6 | 173.4 | -69.6 | -178.1 | 149.6 | 0 | 0 | 112 | D85 A86 R91 K92 | D85-E89 PolarHBondContact O-N 3Å; A86-E89 PolarHBondContact O-N 2.97Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 3.4Å; E89-K92 WeakPolarHBondContact O-CB 3.28Å; E89-K92 PolarHBondContact O-N 3.39Å |
| 90 | L | 96.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 72.9 Ų | 72.9 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.7 | -39.1 | 174.6 | 178.3 | 58.3 | 0 | 0 | 0 | 112 | A86 K92 I93 I94 T107 L108 A111 | A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 PolarHBondContact O-N 2.91Å; L90-K92 VanDerWaalsContact C-N 3.27Å; L90-K92 PolarHBondContact O-N 3.48Å; L90-I93 HydrophobicContact CD1-CD1 4.01Å; L90-I93 HydrophobicContact CD1-CG1 4.19Å; L90-I93 WeakPolarHBondContact O-CG1 3.35Å; L90-I93 PolarHBondContact O-N 2.89Å; L90-I94 HydrophobicContact CD1-CD1 4.16Å; L90-I94 HydrophobicContact CD1-CG1 4.37Å; L90-I94 HydrophobicContact CG-CD1 3.95Å; L90-I94 WeakPolarHBondContact O-CG1 3.38Å; L90-I94 PolarHBondContact O-N 2.91Å; L90-T107 HydrophobicContact CD2-CG2 3.84Å; L90-T107 HydrophobicContact CG-CG2 3.97Å; L90-L108 HydrophobicContact CD2-CD2 4.37Å; L90-A111 HydrophobicContact CD1-CB 4.12Å; L90-A111 HydrophobicContact CD2-CB 4.36Å |
| 91 | R | 95 | Very high | 91.7 | Very high | 77 Ų | 77 | 79.9 Ų | 79.9 | 29% | 0.291 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -28.9 | 177.3 | -75.1 | -178.4 | -171.1 | 90.2 | -6.7 | 113.5 | F87 A88 E89 I93 L102 T107 | F87-R91 WeakPolarHBondContact O-CG 3.38Å; F87-R91 PolarHBondContact O-N 3.37Å; F87-R91 PolarHBondContact O-NH1 3.27Å; A88-R91 PolarHBondContact O-N 3.23Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 3.4Å; R91-I93 VanDerWaalsContact C-N 3.28Å; R91-I93 PolarHBondContact O-N 2.97Å; R91-L102 PolarHBondContact NE-O 2.94Å; R91-L102 PolarHBondContact NH2-O 3.23Å; R91-T107 HydrophobicContact CG-CG2 3.75Å; R91-T107 PolarHBondContact NE-OG1 3.35Å; R91-T107 VanDerWaalsContact NE-OG1 3.17Å |
| 92 | K | 92.1 | Very high | 91.3 | Very high | 165 Ų | 165 | 77.8 Ų | 77.8 | 72% | 0.717 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.8 | -30.5 | -179.5 | -65.3 | 172.7 | -173.5 | 172.1 | 0 | 112.6 | A88 E89 L90 | A88-K92 PolarHBondContact O-N 3Å; E89-K92 WeakPolarHBondContact O-CB 3.28Å; E89-K92 PolarHBondContact O-N 3.39Å; L90-K92 VanDerWaalsContact C-N 3.27Å; L90-K92 PolarHBondContact O-N 3.48Å |
| 93 | I | 92.1 | Very high | 91.2 | Very high | 105 Ų | 105 | 76.7 Ų | 76.7 | 54% | 0.538 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -94.1 | -13.9 | -176 | 63.8 | 164.6 | 0 | 0 | 0 | 113.4 | L90 R91 Y114 | L90-I93 HydrophobicContact CD1-CD1 4.01Å; L90-I93 HydrophobicContact CD1-CG1 4.19Å; L90-I93 WeakPolarHBondContact O-CG1 3.35Å; L90-I93 PolarHBondContact O-N 2.89Å; R91-I93 VanDerWaalsContact C-N 3.28Å; R91-I93 PolarHBondContact O-N 2.97Å; I93-Y114 WeakPolarHBondContact O-CE1 3.49Å |
| 94 | I | 92.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 77.6 Ų | 77.6 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -82.6 | 125.5 | 177.3 | -63.6 | 165.7 | 0 | 0 | 0 | 108.1 | L90 T96 T107 L110 A111 | L90-I94 HydrophobicContact CD1-CD1 4.16Å; L90-I94 HydrophobicContact CD1-CG1 4.37Å; L90-I94 HydrophobicContact CG-CD1 3.95Å; L90-I94 WeakPolarHBondContact O-CG1 3.38Å; L90-I94 PolarHBondContact O-N 2.91Å; I94-T96 HydrophobicContact CB-CG2 4.49Å; I94-T96 HydrophobicContact CG2-CG2 3.97Å; I94-T96 PolarHBondContact O-N 3.32Å; I94-T96 VanDerWaalsContact O-N 3.14Å; I94-T107 HydrophobicContact CD1-CG2 3.67Å; I94-T107 WeakPolarHBondContact CD1-O 3.37Å; I94-L110 HydrophobicContact CG2-CB 4.11Å; I94-L110 HydrophobicContact CG2-CD2 3.39Å; I94-L110 HydrophobicContact CG2-CG 3.48Å; I94-L110 VanDerWaalsContact CG2-CG 3.48Å; I94-A111 HydrophobicContact CD1-CB 3.84Å; I94-A111 HydrophobicContact CG1-CB 4.29Å |
| 95 | P | 90.6 | Very high | 91 | Very high | 8 Ų | 8 | 79.9 Ų | 79.9 | 5% | 0.052 | 43% | 0.427 | C | S | . | . | trans | -67 | 115.6 | 176.6 | -17 | 29.3 | 0 | 0 | 0 | 111 | Y114 F146 | P95-Y114 HydrophobicContact CG-CD1 4.43Å; P95-Y114 HydrophobicContact CG-CD2 3.88Å; P95-Y114 HydrophobicContact CG-CE1 4.01Å; P95-Y114 HydrophobicContact CG-CE2 3.42Å; P95-Y114 VanDerWaalsContact CG-CE2 3.42Å; P95-Y114 HydrophobicContact CG-CG 4.37Å; P95-Y114 VanDerWaalsContact CG-CZ 3.48Å; P95-F146 HydrophobicContact CB-CD1 3.91Å; P95-F146 HydrophobicContact CG-CD1 3.99Å | ||
| 96 | T | 86.7 | Confident | 90.8 | Very high | 56 Ų | 56 | 80.6 Ų | 80.6 | 34% | 0.344 | 43% | 0.428 | S | S | . | . | trans | -138 | 161.6 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | I94 L102 L110 | I94-T96 HydrophobicContact CB-CG2 4.49Å; I94-T96 HydrophobicContact CG2-CG2 3.97Å; I94-T96 PolarHBondContact O-N 3.32Å; I94-T96 VanDerWaalsContact O-N 3.14Å; T96-L102 HydrophobicContact CG2-CD1 3.57Å; T96-L102 HydrophobicContact CG2-CG 4.48Å; T96-L110 HydrophobicContact CG2-CD2 3.77Å | ||
| 97 | L | 82.9 | Confident | 90.7 | Very high | 95 Ų | 95 | 78.1 Ų | 78.1 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | trans | -73.9 | 150.7 | 170.1 | -62.6 | 174.1 | 0 | 0 | 0 | 110.1 | S99 D100 | L97-S99 PolarHBondContact O-N 3.25Å; L97-D100 PolarHBondContact N-OD2 3.06Å; L97-D100 WeakPolarHBondContact O-CB 3.49Å; L97-D100 PolarHBondContact O-N 2.82Å | ||
| 98 | P | 74.8 | Confident | 90.7 | Very high | 144 Ų | 144 | 80.7 Ų | 80.7 | 94% | 0.935 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18 | -177.9 | 20.9 | -32.3 | 0 | 0 | 0 | 114.5 | ||
| 99 | S | 78.5 | Confident | 90.6 | Very high | 105 Ų | 105 | 84.6 Ų | 84.6 | 73% | 0.734 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -6.6 | 176.9 | -163.3 | 0 | 0 | 0 | 0 | 113.7 | L97 K101 | L97-S99 PolarHBondContact O-N 3.25Å; S99-K101 PolarHBondContact O-N 3.01Å |
| 100 | D | 82.9 | Confident | 90.5 | Very high | 60 Ų | 60 | 79.1 Ų | 79.1 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | trans | -70.8 | 105.8 | -170.9 | -75.2 | -14.4 | 0 | 0 | 0 | 111.7 | L97 L102 | L97-D100 PolarHBondContact N-OD2 3.06Å; L97-D100 WeakPolarHBondContact O-CB 3.49Å; L97-D100 PolarHBondContact O-N 2.82Å; D100-L102 HydrophobicContact CB-CD2 4.33Å; D100-L102 HydrophobicContact CB-CG 4.42Å; D100-L102 PolarHBondContact O-N 3.41Å | ||
| 101 | K | 86.6 | Confident | 90.5 | Very high | 200 Ų | 200 | 77.5 Ų | 77.5 | 87% | 0.87 | 40% | 0.399 | S | S | * | . | trans | -87.1 | 97.4 | 169.5 | -61.6 | -140.2 | -179.5 | -172.4 | 0 | 110.3 | S99 | S99-K101 PolarHBondContact O-N 3.01Š| ||
| 102 | L | 89.4 | Confident | 90.5 | Very high | 30 Ų | 30 | 76.2 Ų | 76.2 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | trans | -91.1 | 120.9 | -178.9 | -58.4 | -177.2 | 0 | 0 | 0 | 113.2 | R91 T96 D100 Q106 L110 | R91-L102 PolarHBondContact NE-O 2.94Å; R91-L102 PolarHBondContact NH2-O 3.23Å; T96-L102 HydrophobicContact CG2-CD1 3.57Å; T96-L102 HydrophobicContact CG2-CG 4.48Å; D100-L102 HydrophobicContact CB-CD2 4.33Å; D100-L102 HydrophobicContact CB-CG 4.42Å; D100-L102 PolarHBondContact O-N 3.41Å; L102-Q106 HydrophobicContact CB-CB 4.34Å; L102-Q106 HydrophobicContact CD2-CB 4.22Å; L102-L110 HydrophobicContact CD1-CD2 3.86Å | ||
| 103 | S | 95.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 72.1 Ų | 72.1 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -63.5 | 162.6 | 166 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | I105 Q106 T107 | S103-I105 VanDerWaalsContact C-N 3.29Å; S103-I105 PolarHBondContact O-N 3Å; S103-I105 WeakPolarHBondContact OG-CG2 3.46Å; S103-Q106 PolarHBondContact O-N 3.34Å; S103-Q106 VanDerWaalsContact O-N 3.09Å; S103-Q106 WeakPolarHBondContact OG-CB 3.39Å; S103-Q106 VanDerWaalsContact OG-CD 3.3Å; S103-Q106 VanDerWaalsContact OG-CG 3.28Å; S103-Q106 WeakPolarHBondContact OG-CG 3.42Å; S103-Q106 PolarHBondContact OG-N 3.13Å; S103-Q106 PolarHBondContact OG-OE1 3.02Å; S103-T107 PolarHBondContact O-N 2.9Å; S103-T107 PolarHBondContact O-OG1 3.4Å | ||
| 104 | K | 95.4 | Very high | 90.5 | Very high | 96 Ų | 96 | 68.4 Ų | 68.4 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.1 | -44.7 | 179.9 | -69.4 | -174.6 | 176.8 | -174.3 | 0 | 112.1 | N84 F87 T107 L108 | N84-K104 WeakPolarHBondContact OD1-CE 3.44Å; N84-K104 PolarHBondContact OD1-NZ 3.15Å; F87-K104 HydrophobicContact CD1-CB 4.47Å; F87-K104 HydrophobicContact CD1-CG 4.24Å; F87-K104 HydrophobicContact CE1-CB 3.82Å; F87-K104 HydrophobicContact CE1-CG 4.02Å; F87-K104 HydrophobicContact CE2-CD 4.41Å; F87-K104 HydrophobicContact CZ-CB 4.02Å; F87-K104 HydrophobicContact CZ-CD 4.39Å; F87-K104 HydrophobicContact CZ-CG 4.2Å; K104-T107 PolarHBondContact O-N 2.97Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 2.87Å; K104-L108 VanDerWaalsContact O-N 3.13Å |
| 105 | I | 96.1 | Very high | 90.5 | Very high | 101 Ų | 101 | 73.6 Ų | 73.6 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 178.6 | -174.4 | 59.7 | 0 | 0 | 0 | 112.2 | S103 L108 K109 | S103-I105 VanDerWaalsContact C-N 3.29Å; S103-I105 PolarHBondContact O-N 3Å; S103-I105 WeakPolarHBondContact OG-CG2 3.46Å; I105-L108 PolarHBondContact O-N 3.35Å; I105-K109 HydrophobicContact CD1-CG 4.39Å; I105-K109 HydrophobicContact CG1-CD 4.32Å; I105-K109 WeakPolarHBondContact O-CB 3.48Å; I105-K109 WeakPolarHBondContact O-CG 3.43Å; I105-K109 PolarHBondContact O-N 2.98Å |
| 106 | Q | 93.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 77.2 Ų | 77.2 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 177.1 | -74.5 | 167 | -46.1 | 0 | 0 | 111.4 | L102 S103 L108 K109 L110 | L102-Q106 HydrophobicContact CB-CB 4.34Å; L102-Q106 HydrophobicContact CD2-CB 4.22Å; S103-Q106 PolarHBondContact O-N 3.34Å; S103-Q106 VanDerWaalsContact O-N 3.09Å; S103-Q106 WeakPolarHBondContact OG-CB 3.39Å; S103-Q106 VanDerWaalsContact OG-CD 3.3Å; S103-Q106 VanDerWaalsContact OG-CG 3.28Å; S103-Q106 WeakPolarHBondContact OG-CG 3.42Å; S103-Q106 PolarHBondContact OG-N 3.13Å; S103-Q106 PolarHBondContact OG-OE1 3.02Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.15Å; Q106-K109 PolarHBondContact O-N 3.15Å; Q106-L110 VanDerWaalsContact O-CB 3.27Å; Q106-L110 WeakPolarHBondContact O-CB 3.47Å; Q106-L110 PolarHBondContact O-N 3.2Å |
| 107 | T | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.4 | -47.7 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 111 | F87 L90 R91 I94 S103 K104 L110 A111 | F87-T107 HydrophobicContact CD1-CG2 4.19Å; F87-T107 HydrophobicContact CE1-CG2 4.45Å; L90-T107 HydrophobicContact CD2-CG2 3.84Å; L90-T107 HydrophobicContact CG-CG2 3.97Å; R91-T107 HydrophobicContact CG-CG2 3.75Å; R91-T107 PolarHBondContact NE-OG1 3.35Å; R91-T107 VanDerWaalsContact NE-OG1 3.17Å; I94-T107 HydrophobicContact CD1-CG2 3.67Å; I94-T107 WeakPolarHBondContact CD1-O 3.37Å; S103-T107 PolarHBondContact O-N 2.9Å; S103-T107 PolarHBondContact O-OG1 3.4Å; K104-T107 PolarHBondContact O-N 2.97Å; T107-L110 PolarHBondContact O-N 3.41Å; T107-A111 VanDerWaalsContact O-CB 3.31Å; T107-A111 WeakPolarHBondContact O-CB 3.5Å; T107-A111 PolarHBondContact O-N 3.11Å |
| 108 | L | 97 | Very high | 91 | Very high | 88 Ų | 88 | 73.1 Ų | 73.1 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 178.5 | -65.7 | 176.8 | 0 | 0 | 0 | 112.2 | F87 L90 K104 I105 Q106 L110 A111 A112 | F87-L108 HydrophobicContact CE1-CD2 4.09Å; F87-L108 HydrophobicContact CE1-CG 4.05Å; F87-L108 HydrophobicContact CZ-CD1 4.19Å; F87-L108 HydrophobicContact CZ-CD2 4.05Å; F87-L108 HydrophobicContact CZ-CG 4.1Å; L90-L108 HydrophobicContact CD2-CD2 4.37Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 2.87Å; K104-L108 VanDerWaalsContact O-N 3.13Å; I105-L108 PolarHBondContact O-N 3.35Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.15Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 3.17Å; L108-A111 PolarHBondContact O-N 3.04Å; L108-A112 PolarHBondContact O-N 3.22Å |
| 109 | K | 93.8 | Very high | 91.7 | Very high | 128 Ų | 128 | 73.4 Ų | 73.4 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.3 | -34.3 | 177.7 | -75.1 | -176.2 | 174.2 | -172.4 | 0 | 112.7 | I105 Q106 R113 | I105-K109 HydrophobicContact CD1-CG 4.39Å; I105-K109 HydrophobicContact CG1-CD 4.32Å; I105-K109 WeakPolarHBondContact O-CB 3.48Å; I105-K109 WeakPolarHBondContact O-CG 3.43Å; I105-K109 PolarHBondContact O-N 2.98Å; Q106-K109 PolarHBondContact O-N 3.15Å; K109-R113 WeakPolarHBondContact O-CG 3.27Å; K109-R113 PolarHBondContact O-N 2.86Å; K109-R113 PolarHBondContact O-NE 3.34Å; K109-R113 VanDerWaalsContact O-NE 3.11Å |
| 110 | L | 93.5 | Very high | 92 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -79.7 | -36.9 | 180 | -166.1 | 62 | 0 | 0 | 0 | 111.3 | I94 T96 L102 Q106 T107 L108 R113 Y114 F146 | I94-L110 HydrophobicContact CG2-CB 4.11Å; I94-L110 HydrophobicContact CG2-CD2 3.39Å; I94-L110 HydrophobicContact CG2-CG 3.48Å; I94-L110 VanDerWaalsContact CG2-CG 3.48Å; T96-L110 HydrophobicContact CG2-CD2 3.77Å; L102-L110 HydrophobicContact CD1-CD2 3.86Å; Q106-L110 VanDerWaalsContact O-CB 3.27Å; Q106-L110 WeakPolarHBondContact O-CB 3.47Å; Q106-L110 PolarHBondContact O-N 3.2Å; T107-L110 PolarHBondContact O-N 3.41Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 3.17Å; L110-R113 PolarHBondContact O-N 2.91Å; L110-Y114 WeakPolarHBondContact O-CB 3.31Å; L110-Y114 PolarHBondContact O-N 3.37Å; L110-F146 HydrophobicContact CD1-CE1 3.86Å; L110-F146 HydrophobicContact CD1-CZ 3.77Å; L110-F146 HydrophobicContact CG-CE1 4.33Å; L110-F146 HydrophobicContact CG-CZ 4.38Å |
| 111 | A | 95.8 | Very high | 92.1 | Very high | 14 Ų | 14 | 72.2 Ų | 72.2 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L90 I94 T107 L108 R113 Y114 I115 | L90-A111 HydrophobicContact CD1-CB 4.12Å; L90-A111 HydrophobicContact CD2-CB 4.36Å; I94-A111 HydrophobicContact CD1-CB 3.84Å; I94-A111 HydrophobicContact CG1-CB 4.29Å; T107-A111 VanDerWaalsContact O-CB 3.31Å; T107-A111 WeakPolarHBondContact O-CB 3.5Å; T107-A111 PolarHBondContact O-N 3.11Å; L108-A111 PolarHBondContact O-N 3.04Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.23Å; A111-Y114 PolarHBondContact O-N 2.96Å; A111-Y114 VanDerWaalsContact O-N 3.13Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.21Å |
| 112 | A | 94.9 | Very high | 91.9 | Very high | 49 Ų | 49 | 68.5 Ų | 68.5 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.7 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L108 Y114 I115 D116 | L108-A112 PolarHBondContact O-N 3.22Å; A112-Y114 VanDerWaalsContact C-N 3.3Å; A112-Y114 PolarHBondContact O-N 3.46Å; A112-I115 WeakPolarHBondContact O-CB 3.26Å; A112-I115 PolarHBondContact O-N 3.14Å; A112-I115 VanDerWaalsContact O-N 3.15Å; A112-D116 PolarHBondContact O-N 3.36Å |
| 113 | R | 91.6 | Very high | 91.4 | Very high | 80 Ų | 80 | 71.8 Ų | 71.8 | 30% | 0.302 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 176.5 | -78.9 | -174.4 | -83.6 | 170.7 | -10.1 | 113.3 | K109 L110 A111 D116 F117 F146 W149 W155 | K109-R113 WeakPolarHBondContact O-CG 3.27Å; K109-R113 PolarHBondContact O-N 2.86Å; K109-R113 PolarHBondContact O-NE 3.34Å; K109-R113 VanDerWaalsContact O-NE 3.11Å; L110-R113 PolarHBondContact O-N 2.91Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.23Å; R113-D116 PolarHBondContact O-N 3.34Å; R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.33Å; R113-F146 HydrophobicContact CB-CE2 4.44Å; R113-F146 HydrophobicContact CB-CZ 4.39Å; R113-W149 HydrophobicContact CB-CZ3 4.29Å; R113-W155 HydrophobicContact CG-CZ3 4.22Å |
| 114 | Y | 93.6 | Very high | 90.1 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 11% | 0.106 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 177.7 | -172.2 | -132.4 | 0 | 0 | 0 | 111.5 | I93 P95 L110 A111 A112 F117 L118 F146 | I93-Y114 WeakPolarHBondContact O-CE1 3.49Å; P95-Y114 HydrophobicContact CG-CD1 4.43Å; P95-Y114 HydrophobicContact CG-CD2 3.88Å; P95-Y114 HydrophobicContact CG-CE1 4.01Å; P95-Y114 HydrophobicContact CG-CE2 3.42Å; P95-Y114 VanDerWaalsContact CG-CE2 3.42Å; P95-Y114 HydrophobicContact CG-CG 4.37Å; P95-Y114 VanDerWaalsContact CG-CZ 3.48Å; L110-Y114 WeakPolarHBondContact O-CB 3.31Å; L110-Y114 PolarHBondContact O-N 3.37Å; A111-Y114 PolarHBondContact O-N 2.96Å; A111-Y114 VanDerWaalsContact O-N 3.13Å; A112-Y114 VanDerWaalsContact C-N 3.3Å; A112-Y114 PolarHBondContact O-N 3.46Å; Y114-F117 HydrophobicContact CD2-CD1 4.05Å; Y114-F117 HydrophobicContact CE2-CD1 4.02Å; Y114-F117 HydrophobicContact CE2-CE1 4.41Å; Y114-F117 PolarHBondContact O-N 3.46Å; Y114-L118 HydrophobicContact CD1-CD1 4.14Å; Y114-L118 HydrophobicContact CD2-CG 4.31Å; Y114-L118 HydrophobicContact CE1-CD1 3.84Å; Y114-L118 HydrophobicContact CE2-CD1 4.24Å; Y114-L118 HydrophobicContact CE2-CD2 4.01Å; Y114-L118 HydrophobicContact CE2-CG 4.03Å; Y114-L118 HydrophobicContact CG-CD1 4.48Å; Y114-L118 VanDerWaalsContact O-CG 3.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.15Å; Y114-L118 PolarHBondContact O-N 3.37Å; Y114-F146 HydrophobicContact CD2-CB 4.43Å; Y114-F146 HydrophobicContact CD2-CD1 4.13Å; Y114-F146 AromaticContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CE1 4.25Å; Y114-F146 AromaticContact CD2-CE2 3.87Å; Y114-F146 HydrophobicContact CD2-CE2 3.87Å; Y114-F146 AromaticContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CZ 4.12Å; Y114-F146 HydrophobicContact CE2-CB 4.4Å; Y114-F146 HydrophobicContact CE2-CD2 4.46Å; Y114-F146 HydrophobicContact CE2-CG 4.27Å; Y114-F146 HydrophobicContact CG-CE2 4.42Å; Y114-F146 HydrophobicContact CG-CZ 4.39Å |
| 115 | I | 93.1 | Very high | 88.4 | Confident | 114 Ų | 114 | 70 Ų | 70 | 59% | 0.585 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.6 | -48 | 172.1 | -64.7 | 165.6 | 0 | 0 | 0 | 110.6 | A111 A112 F117 L118 Y119 | A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.21Å; A112-I115 WeakPolarHBondContact O-CB 3.26Å; A112-I115 PolarHBondContact O-N 3.14Å; A112-I115 VanDerWaalsContact O-N 3.15Å; I115-F117 VanDerWaalsContact C-N 3.32Å; I115-F117 PolarHBondContact O-N 3.47Å; I115-L118 PolarHBondContact O-N 2.97Å; I115-Y119 WeakPolarHBondContact O-CB 3.39Å; I115-Y119 PolarHBondContact O-N 3.39Å |
| 116 | D | 91.2 | Very high | 86.5 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 179.4 | -63.9 | -30.6 | 0 | 0 | 0 | 112.1 | A112 R113 Y119 Q120 | A112-D116 PolarHBondContact O-N 3.36Å; R113-D116 PolarHBondContact O-N 3.34Å; D116-Y119 PolarHBondContact O-N 3.34Å; D116-Q120 WeakPolarHBondContact O-CG 3.25Å; D116-Q120 PolarHBondContact O-N 3.33Å |
| 117 | F | 88.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 74.7 Ų | 74.7 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.9 | -50.2 | 174.8 | 167.9 | -103.7 | 0 | 0 | 0 | 111.4 | R113 Y114 I115 Y119 Q120 V121 L142 A145 F146 W149 | R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.33Å; Y114-F117 HydrophobicContact CD2-CD1 4.05Å; Y114-F117 HydrophobicContact CE2-CD1 4.02Å; Y114-F117 HydrophobicContact CE2-CE1 4.41Å; Y114-F117 PolarHBondContact O-N 3.46Å; I115-F117 VanDerWaalsContact C-N 3.32Å; I115-F117 PolarHBondContact O-N 3.47Å; F117-Y119 VanDerWaalsContact C-N 3.25Å; F117-Y119 PolarHBondContact O-N 3.06Å; F117-Q120 PolarHBondContact O-N 3.31Å; F117-Q120 VanDerWaalsContact O-N 3.13Å; F117-V121 HydrophobicContact CD1-CG2 4.38Å; F117-V121 HydrophobicContact CD2-CG2 4.24Å; F117-V121 HydrophobicContact CE1-CG2 3.94Å; F117-V121 HydrophobicContact CE2-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.48Å; F117-V121 PolarHBondContact O-N 3.21Å; F117-L142 HydrophobicContact CE1-CD2 4.06Å; F117-L142 HydrophobicContact CZ-CD2 4.35Å; F117-A145 HydrophobicContact CE2-CB 4.45Å; F117-A145 HydrophobicContact CZ-CB 3.87Å; F117-F146 HydrophobicContact CB-CD2 3.71Å; F117-F146 HydrophobicContact CB-CE2 3.99Å; F117-F146 HydrophobicContact CD1-CB 4.04Å; F117-F146 AromaticContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CG 4.31Å; F117-F146 HydrophobicContact CD2-CD2 4.24Å; F117-F146 HydrophobicContact CE1-CB 3.9Å; F117-F146 HydrophobicContact CE1-CD2 4.45Å; F117-F146 HydrophobicContact CG-CB 4.48Å; F117-F146 AromaticContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CE2 4.4Å; F117-F146 HydrophobicContact CZ-CB 4.21Å; F117-W149 HydrophobicContact CB-CD2 4.31Å; F117-W149 HydrophobicContact CB-CE3 4.08Å; F117-W149 HydrophobicContact CB-CH2 3.91Å; F117-W149 HydrophobicContact CB-CZ2 4.19Å; F117-W149 HydrophobicContact CB-CZ3 3.89Å; F117-W149 HydrophobicContact CD2-CB 4.1Å; F117-W149 AromaticContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CE3 4.16Å; F117-W149 AromaticContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CE2-CB 4.12Å; F117-W149 HydrophobicContact CE2-CG 4.17Å; F117-W149 HydrophobicContact CG-CD2 4.44Å; F117-W149 HydrophobicContact CG-CE3 4.43Å |
| 118 | L | 89.3 | Confident | 82.4 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 178.5 | -67.5 | 175.2 | 0 | 0 | 0 | 111.4 | Y114 I115 V121 L122 L142 | Y114-L118 HydrophobicContact CD1-CD1 4.14Å; Y114-L118 HydrophobicContact CD2-CG 4.31Å; Y114-L118 HydrophobicContact CE1-CD1 3.84Å; Y114-L118 HydrophobicContact CE2-CD1 4.24Å; Y114-L118 HydrophobicContact CE2-CD2 4.01Å; Y114-L118 HydrophobicContact CE2-CG 4.03Å; Y114-L118 HydrophobicContact CG-CD1 4.48Å; Y114-L118 VanDerWaalsContact O-CG 3.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.15Å; Y114-L118 PolarHBondContact O-N 3.37Å; I115-L118 PolarHBondContact O-N 2.97Å; L118-V121 PolarHBondContact O-N 3.42Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.1Å; L118-L142 HydrophobicContact CD2-CD1 4.41Å |
| 119 | Y | 89.3 | Confident | 80.4 | Confident | 149 Ų | 149 | 81.7 Ų | 81.7 | 58% | 0.584 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64 | -38.8 | 175.4 | -169.4 | -103.5 | 0 | 0 | 0 | 112.5 | I115 D116 F117 Q123 | I115-Y119 WeakPolarHBondContact O-CB 3.39Å; I115-Y119 PolarHBondContact O-N 3.39Å; D116-Y119 PolarHBondContact O-N 3.34Å; F117-Y119 VanDerWaalsContact C-N 3.25Å; F117-Y119 PolarHBondContact O-N 3.06Å; Y119-Q123 HydrophobicContact CE1-CG 4.22Å; Y119-Q123 WeakPolarHBondContact O-CG 3.43Å; Y119-Q123 PolarHBondContact O-N 3.42Å; Y119-Q123 VanDerWaalsContact O-N 3.14Å; Y119-Q123 PolarHBondContact O-NE2 2.7Å |
| 120 | Q | 84.9 | Confident | 78.4 | Confident | 91 Ų | 91 | 85.2 Ų | 85.2 | 43% | 0.425 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 173.5 | -71.8 | 176.4 | 35.3 | 0 | 0 | 111.8 | D116 F117 L122 Q123 S124 | D116-Q120 WeakPolarHBondContact O-CG 3.25Å; D116-Q120 PolarHBondContact O-N 3.33Å; F117-Q120 PolarHBondContact O-N 3.31Å; F117-Q120 VanDerWaalsContact O-N 3.13Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.13Å; Q120-Q123 PolarHBondContact O-N 3.14Å; Q120-S124 PolarHBondContact O-N 3.2Å; Q120-S124 PolarHBondContact O-OG 3.3Å; Q120-S124 VanDerWaalsContact O-OG 3.1Å |
| 121 | V | 84.8 | Confident | 76.4 | Confident | 50 Ų | 50 | 91.5 Ų | 91.5 | 30% | 0.303 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 178 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F117 L118 S124 D125 L142 | F117-V121 HydrophobicContact CD1-CG2 4.38Å; F117-V121 HydrophobicContact CD2-CG2 4.24Å; F117-V121 HydrophobicContact CE1-CG2 3.94Å; F117-V121 HydrophobicContact CE2-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.48Å; F117-V121 PolarHBondContact O-N 3.21Å; L118-V121 PolarHBondContact O-N 3.42Å; V121-S124 WeakPolarHBondContact CA-OG 3.33Å; V121-S124 PolarHBondContact O-N 3.03Å; V121-S124 PolarHBondContact O-OG 2.96Å; V121-D125 PolarHBondContact O-N 2.78Å; V121-L142 HydrophobicContact CG1-CD2 4.28Å |
| 122 | L | 83.3 | Confident | 74.3 | Confident | 122 Ų | 122 | 93.3 Ų | 93.3 | 64% | 0.639 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.1 | -36.5 | 178.9 | -70.6 | 171.1 | 0 | 0 | 0 | 113.1 | L118 Q120 D125 | L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.1Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.13Å; L122-D125 PolarHBondContact O-N 2.98Å |
| 123 | Q | 78.8 | Confident | 72.1 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.6 | -34.8 | 175.9 | -73.5 | 170.3 | 109 | 0 | 0 | 112.5 | Y119 Q120 D125 | Y119-Q123 HydrophobicContact CE1-CG 4.22Å; Y119-Q123 WeakPolarHBondContact O-CG 3.43Å; Y119-Q123 PolarHBondContact O-N 3.42Å; Y119-Q123 VanDerWaalsContact O-N 3.14Å; Y119-Q123 PolarHBondContact O-NE2 2.7Å; Q120-Q123 PolarHBondContact O-N 3.14Å; Q123-D125 VanDerWaalsContact C-N 3.27Å; Q123-D125 PolarHBondContact O-N 3.35Å |
| 124 | S | 68.2 | Low | 69.9 | Low | 72 Ų | 72 | 97.2 Ų | 97.2 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.3 | -23.1 | 175.4 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | Q120 V121 E126 L127 | Q120-S124 PolarHBondContact O-N 3.2Å; Q120-S124 PolarHBondContact O-OG 3.3Å; Q120-S124 VanDerWaalsContact O-OG 3.1Å; V121-S124 WeakPolarHBondContact CA-OG 3.33Å; V121-S124 PolarHBondContact O-N 3.03Å; V121-S124 PolarHBondContact O-OG 2.96Å; S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 PolarHBondContact O-N 3.4Å; S124-L127 PolarHBondContact O-N 3.17Å |
| 125 | D | 60.3 | Low | 68.2 | Low | 39 Ų | 39 | 102 Ų | 102 | 21% | 0.209 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -12.8 | -179 | -161.6 | 33.7 | 0 | 0 | 0 | 113.4 | V121 L122 Q123 L127 D128 H129 T132 | V121-D125 PolarHBondContact O-N 2.78Å; L122-D125 PolarHBondContact O-N 2.98Å; Q123-D125 VanDerWaalsContact C-N 3.27Å; Q123-D125 PolarHBondContact O-N 3.35Å; D125-L127 PolarHBondContact O-N 3.47Å; D125-D128 PolarHBondContact O-N 3.45Å; D125-H129 PolarHBondContact O-CE1 3.18Å; D125-H129 PolarHBondContact O-ND1 3.37Å; D125-T132 PolarHBondContact OD1-OG1 2.6Å; D125-T132 WeakPolarHBondContact OD2-CG2 3.4Å |
| 126 | E | 55.8 | Low | 66.2 | Low | 146 Ų | 146 | 107.6 Ų | 107.6 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.7 | 174.4 | -132.2 | 174.4 | -165.2 | 0 | 0 | 112.6 | S124 | S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 PolarHBondContact O-N 3.4Å |
| 127 | L | 51 | Low | 64.3 | Low | 145 Ų | 145 | 109.8 Ų | 109.8 | 76% | 0.759 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -102 | -20 | -178.3 | -77.9 | -93.5 | 0 | 0 | 0 | 113.4 | S124 D125 | S124-L127 PolarHBondContact O-N 3.17Å; D125-L127 PolarHBondContact O-N 3.47Å |
| 128 | D | 51.3 | Low | 63 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | trans | -130.4 | 33.6 | -168 | -79.5 | -46.5 | 0 | 0 | 0 | 114.3 | D125 K130 I131 | D125-D128 PolarHBondContact O-N 3.45Å; D128-K130 PolarHBondContact O-N 2.78Å; D128-I131 PolarHBondContact O-N 3.45Å; D128-I131 VanDerWaalsContact O-N 3.14Å | ||
| 129 | H | 55.3 | Low | 61.9 | Low | 133 Ų | 133 | 113.5 Ų | 113.5 | 62% | 0.616 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 1.1 | -177.6 | -78.6 | -57.4 | 0 | 0 | 0 | 118.7 | D125 | D125-H129 PolarHBondContact O-CE1 3.18Å; D125-H129 PolarHBondContact O-ND1 3.37Å |
| 130 | K | 50.9 | Low | 61 | Low | 202 Ų | 202 | 114.3 Ų | 114.3 | 88% | 0.878 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -17.5 | 176.6 | -66.2 | 179 | -168.1 | -78 | 0 | 114.1 | D128 | D128-K130 PolarHBondContact O-N 2.78Š|
| 131 | I | 52.2 | Low | 60.7 | Low | 136 Ų | 136 | 118 Ų | 118 | 70% | 0.697 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -21.4 | -176.2 | -71.2 | 168.6 | 0 | 0 | 0 | 112.3 | D128 S133 | D128-I131 PolarHBondContact O-N 3.45Å; D128-I131 VanDerWaalsContact O-N 3.14Å; I131-S133 PolarHBondContact O-N 2.78Å |
| 132 | T | 51.1 | Low | 60.7 | Low | 52 Ų | 52 | 117.8 Ų | 117.8 | 32% | 0.319 | 59% | 0.593 | S | S | . | * | trans | -86.9 | -4.1 | -165.9 | -46.2 | 0 | 0 | 0 | 0 | 114.7 | D125 C134 | D125-T132 PolarHBondContact OD1-OG1 2.6Å; D125-T132 WeakPolarHBondContact OD2-CG2 3.4Å; T132-C134 PolarHBondContact O-N 3.44Å | ||
| 133 | S | 49.2 | Very low | 60.8 | Low | 117 Ų | 117 | 113.1 Ų | 113.1 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | trans | -67.9 | 2.2 | -173.8 | -166.6 | 0 | 0 | 0 | 0 | 116.1 | I131 | I131-S133 PolarHBondContact O-N 2.78Š| ||
| 134 | C | 45.6 | Very low | 61.2 | Low | 94 Ų | 94 | 116.4 Ų | 116.4 | 64% | 0.635 | 58% | 0.58 | S | S | * | * | trans | -113.6 | 75.7 | 172.2 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | T132 Y136 | T132-C134 PolarHBondContact O-N 3.44Å; C134-Y136 PolarHBondContact O-N 2.82Å | ||
| 135 | N | 57.6 | Low | 62.1 | Low | 127 Ų | 127 | 114.8 Ų | 114.8 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 0.8 | -172.1 | -104.3 | -34.8 | 0 | 0 | 0 | 116.4 | ||
| 136 | Y | 50.7 | Low | 63.4 | Low | 233 Ų | 233 | 113 Ų | 113 | 91% | 0.914 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -10.1 | -176 | -97.2 | -95.1 | 0 | 0 | 0 | 115.5 | C134 A138 | C134-Y136 PolarHBondContact O-N 2.82Å; Y136-A138 PolarHBondContact O-N 3.32Å |
| 137 | L | 52.3 | Low | 64.9 | Low | 129 Ų | 129 | 107.6 Ų | 107.6 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -85.2 | 5.7 | 170.2 | -144.4 | 76.5 | 0 | 0 | 0 | 112.4 | R141 | L137-R141 WeakPolarHBondContact O-CG 3.2Š|
| 138 | A | 60.2 | Low | 66.6 | Low | 28 Ų | 28 | 103.2 Ų | 103.2 | 23% | 0.231 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -84 | -31.2 | -166 | 0 | 0 | 0 | 0 | 0 | 114 | Y136 E140 R141 L142 | Y136-A138 PolarHBondContact O-N 3.32Å; A138-E140 PolarHBondContact O-N 3.02Å; A138-R141 PolarHBondContact O-N 2.94Å; A138-L142 HydrophobicContact CB-CD1 4.06Å; A138-L142 HydrophobicContact CB-CG 4.41Å; A138-L142 WeakPolarHBondContact O-CB 3.2Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.37Å |
| 139 | H | 66.3 | Low | 68.2 | Low | 117 Ų | 117 | 101 Ų | 101 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | -170.4 | -171.2 | -88 | 0 | 0 | 0 | 113 | S143 | H139-S143 VanDerWaalsContact O-CB 3.24Å; H139-S143 WeakPolarHBondContact O-CB 3.21Å; H139-S143 PolarHBondContact O-N 3.46Å; H139-S143 PolarHBondContact O-OG 2.8Å |
| 140 | E | 71.1 | Confident | 69.6 | Low | 165 Ų | 165 | 97.1 Ų | 97.1 | 77% | 0.771 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 176.2 | -63.5 | -164.1 | 137.6 | 0 | 0 | 111.6 | A138 S143 Y144 | A138-E140 PolarHBondContact O-N 3.02Å; E140-S143 PolarHBondContact O-N 2.95Å; E140-Y144 WeakPolarHBondContact O-CB 3.13Å; E140-Y144 PolarHBondContact O-N 3.02Å |
| 141 | R | 79.3 | Confident | 70.8 | Confident | 170 Ų | 170 | 94.1 Ų | 94.1 | 64% | 0.642 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 177.9 | -66.1 | -174.6 | 68.6 | -131.1 | -2.2 | 112.5 | L137 A138 A145 | L137-R141 WeakPolarHBondContact O-CG 3.2Å; A138-R141 PolarHBondContact O-N 2.94Å; R141-A145 WeakPolarHBondContact O-CB 3.45Å; R141-A145 PolarHBondContact O-N 3.01Å |
| 142 | L | 84.3 | Confident | 71.6 | Confident | 44 Ų | 44 | 94.5 Ų | 94.5 | 23% | 0.23 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 176 | -72.6 | 172.4 | 0 | 0 | 0 | 111.1 | F117 L118 V121 A138 Y144 A145 F146 | F117-L142 HydrophobicContact CE1-CD2 4.06Å; F117-L142 HydrophobicContact CZ-CD2 4.35Å; L118-L142 HydrophobicContact CD2-CD1 4.41Å; V121-L142 HydrophobicContact CG1-CD2 4.28Å; A138-L142 HydrophobicContact CB-CD1 4.06Å; A138-L142 HydrophobicContact CB-CG 4.41Å; A138-L142 WeakPolarHBondContact O-CB 3.2Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.37Å; L142-Y144 VanDerWaalsContact C-N 3.35Å; L142-A145 PolarHBondContact O-N 2.88Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.9Å |
| 143 | S | 85.6 | Confident | 72 | Confident | 24 Ų | 24 | 94.9 Ų | 94.9 | 17% | 0.168 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.9 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | H139 E140 S147 | H139-S143 VanDerWaalsContact O-CB 3.24Å; H139-S143 WeakPolarHBondContact O-CB 3.21Å; H139-S143 PolarHBondContact O-N 3.46Å; H139-S143 PolarHBondContact O-OG 2.8Å; E140-S143 PolarHBondContact O-N 2.95Å; S143-S147 WeakPolarHBondContact O-CB 3.24Å; S143-S147 PolarHBondContact O-N 2.69Å; S143-S147 PolarHBondContact O-OG 2.92Å |
| 144 | Y | 86.8 | Confident | 72 | Confident | 168 Ų | 168 | 93 Ų | 93 | 66% | 0.659 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.6 | -50.6 | 173.6 | 175.9 | -100.5 | 0 | 0 | 0 | 111.7 | E140 L142 F146 S147 V148 | E140-Y144 WeakPolarHBondContact O-CB 3.13Å; E140-Y144 PolarHBondContact O-N 3.02Å; L142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-F146 VanDerWaalsContact C-N 3.32Å; Y144-F146 PolarHBondContact O-N 2.93Å; Y144-S147 WeakPolarHBondContact O-CA 3.5Å; Y144-S147 WeakPolarHBondContact O-CB 3.17Å; Y144-S147 PolarHBondContact O-N 3.14Å; Y144-V148 HydrophobicContact CD1-CG2 4.36Å; Y144-V148 HydrophobicContact CE1-CG2 3.89Å; Y144-V148 HydrophobicContact CE2-CG2 4.12Å; Y144-V148 WeakPolarHBondContact O-CG2 3.33Å; Y144-V148 PolarHBondContact O-N 3.04Å |
| 145 | A | 87.1 | Confident | 72.5 | Confident | 39 Ų | 39 | 94.8 Ų | 94.8 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F117 R141 L142 S147 V148 W149 | F117-A145 HydrophobicContact CE2-CB 4.45Å; F117-A145 HydrophobicContact CZ-CB 3.87Å; R141-A145 WeakPolarHBondContact O-CB 3.45Å; R141-A145 PolarHBondContact O-N 3.01Å; L142-A145 PolarHBondContact O-N 2.88Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.92Å; A145-V148 PolarHBondContact O-N 3.42Å; A145-W149 WeakPolarHBondContact O-CB 3.35Å; A145-W149 PolarHBondContact O-N 2.91Å |
| 146 | F | 88 | Confident | 72.4 | Confident | 0 Ų | 0 | 93.6 Ų | 93.6 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 173.5 | -179.5 | -112.3 | 0 | 0 | 0 | 112 | P95 L110 R113 Y114 F117 L142 Y144 W149 R150 | P95-F146 HydrophobicContact CB-CD1 3.91Å; P95-F146 HydrophobicContact CG-CD1 3.99Å; L110-F146 HydrophobicContact CD1-CE1 3.86Å; L110-F146 HydrophobicContact CD1-CZ 3.77Å; L110-F146 HydrophobicContact CG-CE1 4.33Å; L110-F146 HydrophobicContact CG-CZ 4.38Å; R113-F146 HydrophobicContact CB-CE2 4.44Å; R113-F146 HydrophobicContact CB-CZ 4.39Å; Y114-F146 HydrophobicContact CD2-CB 4.43Å; Y114-F146 HydrophobicContact CD2-CD1 4.13Å; Y114-F146 AromaticContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CE1 4.25Å; Y114-F146 AromaticContact CD2-CE2 3.87Å; Y114-F146 HydrophobicContact CD2-CE2 3.87Å; Y114-F146 AromaticContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CZ 4.12Å; Y114-F146 HydrophobicContact CE2-CB 4.4Å; Y114-F146 HydrophobicContact CE2-CD2 4.46Å; Y114-F146 HydrophobicContact CE2-CG 4.27Å; Y114-F146 HydrophobicContact CG-CE2 4.42Å; Y114-F146 HydrophobicContact CG-CZ 4.39Å; F117-F146 HydrophobicContact CB-CD2 3.71Å; F117-F146 HydrophobicContact CB-CE2 3.99Å; F117-F146 HydrophobicContact CD1-CB 4.04Å; F117-F146 AromaticContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CG 4.31Å; F117-F146 HydrophobicContact CD2-CD2 4.24Å; F117-F146 HydrophobicContact CE1-CB 3.9Å; F117-F146 HydrophobicContact CE1-CD2 4.45Å; F117-F146 HydrophobicContact CG-CB 4.48Å; F117-F146 AromaticContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CE2 4.4Å; F117-F146 HydrophobicContact CZ-CB 4.21Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.9Å; Y144-F146 VanDerWaalsContact C-N 3.32Å; Y144-F146 PolarHBondContact O-N 2.93Å; F146-W149 AromaticContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CZ3 4.13Å; F146-W149 AromaticContact CE2-CE3 3.86Å; F146-W149 HydrophobicContact CE2-CE3 3.86Å; F146-W149 AromaticContact CE2-CZ3 3.69Å; F146-W149 HydrophobicContact CE2-CZ3 3.69Å; F146-R150 WeakPolarHBondContact O-CB 3.2Å; F146-R150 PolarHBondContact O-N 3.18Å |
| 147 | S | 87.9 | Confident | 72.3 | Confident | 33 Ų | 33 | 90.5 Ų | 90.5 | 23% | 0.231 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | S143 Y144 A145 M151 | S143-S147 WeakPolarHBondContact O-CB 3.24Å; S143-S147 PolarHBondContact O-N 2.69Å; S143-S147 PolarHBondContact O-OG 2.92Å; Y144-S147 WeakPolarHBondContact O-CA 3.5Å; Y144-S147 WeakPolarHBondContact O-CB 3.17Å; Y144-S147 PolarHBondContact O-N 3.14Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.92Å; S147-M151 WeakPolarHBondContact O-CB 3.5Å; S147-M151 WeakPolarHBondContact O-CG 3.4Å; S147-M151 PolarHBondContact O-N 3.25Å |
| 148 | V | 85.1 | Confident | 72 | Confident | 54 Ų | 54 | 89.6 Ų | 89.6 | 33% | 0.327 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -51 | 174.9 | 176 | 0 | 0 | 0 | 0 | 110.4 | Y144 A145 R150 M151 E152 | Y144-V148 HydrophobicContact CD1-CG2 4.36Å; Y144-V148 HydrophobicContact CE1-CG2 3.89Å; Y144-V148 HydrophobicContact CE2-CG2 4.12Å; Y144-V148 WeakPolarHBondContact O-CG2 3.33Å; Y144-V148 PolarHBondContact O-N 3.04Å; A145-V148 PolarHBondContact O-N 3.42Å; V148-R150 PolarHBondContact O-N 2.73Å; V148-M151 CarbonylContact O-C 3.6Å; V148-M151 PolarHBondContact O-N 2.72Å; V148-E152 PolarHBondContact O-N 2.82Å |
| 149 | W | 85.3 | Confident | 71.5 | Confident | 56 Ų | 56 | 93 Ų | 93 | 21% | 0.212 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -56.4 | -36.5 | 178.6 | 179.8 | 88.2 | 0 | 0 | 0 | 112.8 | R113 F117 A145 F146 W155 | R113-W149 HydrophobicContact CB-CZ3 4.29Å; F117-W149 HydrophobicContact CB-CD2 4.31Å; F117-W149 HydrophobicContact CB-CE3 4.08Å; F117-W149 HydrophobicContact CB-CH2 3.91Å; F117-W149 HydrophobicContact CB-CZ2 4.19Å; F117-W149 HydrophobicContact CB-CZ3 3.89Å; F117-W149 HydrophobicContact CD2-CB 4.1Å; F117-W149 AromaticContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CE3 4.16Å; F117-W149 AromaticContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CE2-CB 4.12Å; F117-W149 HydrophobicContact CE2-CG 4.17Å; F117-W149 HydrophobicContact CG-CD2 4.44Å; F117-W149 HydrophobicContact CG-CE3 4.43Å; A145-W149 WeakPolarHBondContact O-CB 3.35Å; A145-W149 PolarHBondContact O-N 2.91Å; F146-W149 AromaticContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CZ3 4.13Å; F146-W149 AromaticContact CE2-CE3 3.86Å; F146-W149 HydrophobicContact CE2-CE3 3.86Å; F146-W149 AromaticContact CE2-CZ3 3.69Å; F146-W149 HydrophobicContact CE2-CZ3 3.69Å; W149-W155 HydrophobicContact CE3-CZ3 4.32Å; W149-W155 AromaticContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CZ2 4.42Å; W149-W155 AromaticContact CH2-CZ3 3.26Å; W149-W155 HydrophobicContact CH2-CZ3 3.26Å; W149-W155 AromaticContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CZ2 4.22Å; W149-W155 AromaticContact CZ2-CZ3 3.8Å; W149-W155 HydrophobicContact CZ2-CZ3 3.8Å; W149-W155 AromaticContact CZ3-CH2 3.94Å; W149-W155 HydrophobicContact CZ3-CH2 3.94Å; W149-W155 AromaticContact CZ3-CZ3 3.54Å; W149-W155 HydrophobicContact CZ3-CZ3 3.54Å |
| 150 | R | 84.2 | Confident | 70.3 | Confident | 52 Ų | 52 | 93.4 Ų | 93.4 | 20% | 0.196 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -73.1 | -29.6 | 175.9 | -174.9 | -176.6 | 70.5 | 167.9 | 1.6 | 113.1 | F146 V148 | F146-R150 WeakPolarHBondContact O-CB 3.2Å; F146-R150 PolarHBondContact O-N 3.18Å; V148-R150 PolarHBondContact O-N 2.73Å |
| 151 | M | 76.3 | Confident | 68.8 | Low | 138 Ų | 138 | 97.4 Ų | 97.4 | 68% | 0.68 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -88.6 | -21.1 | -178.6 | -70 | -62.9 | -172.9 | 0 | 0 | 113.1 | S147 V148 G153 | S147-M151 WeakPolarHBondContact O-CB 3.5Å; S147-M151 WeakPolarHBondContact O-CG 3.4Å; S147-M151 PolarHBondContact O-N 3.25Å; V148-M151 CarbonylContact O-C 3.6Å; V148-M151 PolarHBondContact O-N 2.72Å; M151-G153 PolarHBondContact O-N 3.43Å |
| 152 | E | 68.9 | Low | 68.3 | Low | 144 Ų | 144 | 93.8 Ų | 93.8 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -70.4 | 72.7 | 178 | -156.7 | 105.8 | -147.4 | 0 | 0 | 111.1 | V148 A154 | V148-E152 PolarHBondContact O-N 2.82Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 2.92Å |
| 153 | G | 59.4 | Low | 67.5 | Low | 60 Ų | 60 | 96.4 Ų | 96.4 | 62% | 0.619 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 61.1 | -28 | 142.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | M151 W155 | M151-G153 PolarHBondContact O-N 3.43Å; G153-W155 VanDerWaalsContact C-N 3.32Å; G153-W155 PolarHBondContact O-N 3.44Å |
| 154 | A | 50 | Low | 66.5 | Low | 79 Ų | 79 | 100.4 Ų | 100.4 | 65% | 0.653 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -73.6 | -23.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | E152 | E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 2.92Å |
| 155 | W | 56.9 | Low | 65.3 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -125.9 | -5.2 | -164.4 | -53.3 | -25.3 | 0 | 0 | 0 | 115.9 | R113 W149 G153 M157 | R113-W155 HydrophobicContact CG-CZ3 4.22Å; W149-W155 HydrophobicContact CE3-CZ3 4.32Å; W149-W155 AromaticContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CZ2 4.42Å; W149-W155 AromaticContact CH2-CZ3 3.26Å; W149-W155 HydrophobicContact CH2-CZ3 3.26Å; W149-W155 AromaticContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CZ2 4.22Å; W149-W155 AromaticContact CZ2-CZ3 3.8Å; W149-W155 HydrophobicContact CZ2-CZ3 3.8Å; W149-W155 AromaticContact CZ3-CH2 3.94Å; W149-W155 HydrophobicContact CZ3-CH2 3.94Å; W149-W155 AromaticContact CZ3-CZ3 3.54Å; W149-W155 HydrophobicContact CZ3-CZ3 3.54Å; G153-W155 VanDerWaalsContact C-N 3.32Å; G153-W155 PolarHBondContact O-N 3.44Å; W155-M157 PolarHBondContact O-N 3.44Å |
| 156 | S | 54.1 | Low | 63.9 | Low | 102 Ų | 102 | 100.1 Ų | 100.1 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -2.6 | 178.3 | -163.6 | 0 | 0 | 0 | 0 | 114 | ||
| 157 | M | 48.6 | Very low | 62.3 | Low | 168 Ų | 168 | 106.7 Ų | 106.7 | 83% | 0.828 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 18 | -172.6 | -66.9 | -81.7 | 86.2 | 0 | 0 | 115.2 | W155 | W155-M157 PolarHBondContact O-N 3.44Š|
| 158 | S | 45.9 | Very low | 60.5 | Low | 109 Ų | 109 | 112 Ų | 112 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -118.4 | 13.9 | 177 | 56.1 | 0 | 0 | 0 | 0 | 115 | ||
| 159 | A | 51.3 | Low | 58.6 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | trans | -111.4 | 34.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 160 | S | 40.1 | Very low | 56.3 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | trans | -98.4 | 104.7 | 161.8 | -142 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 161 | H | 40.4 | Very low | 53.8 | Low | 250 Ų | 250 | 127.8 Ų | 127.8 | 100% | 1.157 | 75% | 0.753 | S | S | * | * | trans | -108.7 | 0 | 160.4 | 179.4 | -66.6 | 0 | 0 | 0 | 107.5 |
Retrieved 161 of 161 residues in 25 ms
(Link to these results)