| 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 | 44.9 | Very low | 39.7 | Very low | 234 Ų | 234 | 120.3 Ų | 120.3 | 100% | 1.153 | 86% | 0.86 | S | S | * | * | 0 | 141.2 | 0 | -88.5 | 53.2 | 179.1 | 0 | 0 | 108.2 | |||||
| 2 | A | 39.3 | Very low | 39.3 | Very low | 85 Ų | 85 | 117.1 Ų | 117.1 | 70% | 0.702 | 86% | 0.858 | S | S | * | * | trans | -74.2 | 169.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | D | 42.4 | Very low | 38.9 | Very low | 168 Ų | 168 | 113.9 Ų | 113.9 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | -167.9 | 166.2 | 102.7 | -101 | -57 | 0 | 0 | 0 | 111.6 | |||||
| 4 | D | 40.6 | Very low | 39.4 | Very low | 152 Ų | 152 | 115.6 Ų | 115.6 | 81% | 0.813 | 86% | 0.856 | S | S | * | * | trans | -121.8 | 161.9 | -153.5 | -160 | -67.1 | 0 | 0 | 0 | 112.7 | ||||
| 5 | A | 43.4 | Very low | 38.9 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | trans | 157.6 | 139.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | G | 34.6 | Very low | 38.4 | Very low | 76 Ų | 76 | 110.9 Ų | 110.9 | 78% | 0.784 | 85% | 0.849 | S | S | * | * | cis | -167.5 | 174.6 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | A | 40.5 | Very low | 38.9 | Very low | 109 Ų | 109 | 112.5 Ų | 112.5 | 90% | 0.901 | 85% | 0.852 | S | S | * | * | trans | -119.6 | 160.9 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 8 | A | 38 | Very low | 38.5 | Very low | 109 Ų | 109 | 110.2 Ų | 110.2 | 90% | 0.901 | 85% | 0.845 | S | S | * | * | trans | -168.7 | 148.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 9 | G | 32.4 | Very low | 38.3 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | cis | 168.3 | 133.6 | -4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | G | 34.3 | Very low | 38 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 81% | 0.814 | 85% | 0.851 | S | S | * | * | trans | -81 | -157.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 11 | P | 46.1 | Very low | 37.8 | Very low | 135 Ų | 135 | 114.3 Ų | 114.3 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | cis | -124.5 | -170.9 | 10.2 | 43.1 | -28.6 | 0 | 0 | 0 | 114 | ||||
| 12 | G | 34.7 | Very low | 37.2 | Very low | 82 Ų | 82 | 113.6 Ų | 113.6 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | cis | 145.1 | 80.4 | -16.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 13 | G | 34.6 | Very low | 36.9 | Very low | 76 Ų | 76 | 113.4 Ų | 113.4 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | 117.1 | 173 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 14 | P | 45.8 | Very low | 36.8 | Very low | 138 Ų | 138 | 108.7 Ų | 108.7 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | cis | -132.9 | 171.8 | 9.2 | 42.2 | -26.7 | 0 | 0 | 0 | 117.2 | ||||
| 15 | G | 32 | Very low | 36.6 | Very low | 81 Ų | 81 | 111.5 Ų | 111.5 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | 110.6 | 107.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 16 | G | 31.2 | Very low | 36.1 | Very low | 75 Ų | 75 | 118.7 Ų | 118.7 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -109.7 | -155.1 | 158 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | P | 46.6 | Very low | 36 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 90% | 0.896 | 84% | 0.843 | S | S | * | * | cis | -134.6 | 176.5 | -9.3 | 41.8 | -26.2 | 0 | 0 | 0 | 114.5 | ||||
| 18 | G | 31.9 | Very low | 35.5 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | trans | 130.3 | 124.1 | 139.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 19 | M | 33.8 | Very low | 35.1 | Very low | 200 Ų | 200 | 123 Ų | 123 | 99% | 0.985 | 84% | 0.842 | S | S | * | * | trans | 71.7 | 111.7 | 147.7 | -127.6 | 73.7 | 82.1 | 0 | 0 | 120.8 | ||||
| 20 | G | 32.7 | Very low | 35.2 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | 170.7 | 100.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 21 | N | 33.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 73% | 0.733 | 85% | 0.851 | S | S | * | * | trans | -96.2 | 147.6 | -167.8 | -143.3 | -8.1 | 0 | 0 | 0 | 113.2 | ||||
| 22 | R | 33.8 | Very low | 34.7 | Very low | 219 Ų | 219 | 122.7 Ų | 122.7 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | trans | 61.7 | 129.4 | 156.4 | -62.3 | 172.8 | -168.1 | 166.2 | 2.7 | 121.3 | ||||
| 23 | G | 32.4 | Very low | 34.8 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | 100.5 | 132.3 | 109.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 24 | G | 40.6 | Very low | 34.9 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | trans | -84.3 | 170.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 25 | F | 36.1 | Very low | 34.3 | Very low | 211 Ų | 211 | 130.7 Ų | 130.7 | 93% | 0.925 | 84% | 0.839 | S | S | * | * | trans | 64.7 | 103.3 | 171.1 | -61.9 | -84.8 | 0 | 0 | 0 | 118.6 | ||||
| 26 | R | 33.3 | Very low | 34.7 | Very low | 250 Ų | 250 | 139.5 Ų | 139.5 | 94% | 0.943 | 85% | 0.847 | S | S | * | * | 169.1 | 125.6 | 113.7 | -96.8 | 179.7 | 171.7 | -167.6 | -0.7 | 114.4 | |||||
| 27 | G | 32.5 | Very low | 34.8 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | 70.8 | 154.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 28 | G | 30.2 | Very low | 34.8 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 85% | 0.851 | S | S | * | * | trans | 157.5 | 105.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 29 | F | 28.9 | Very low | 34.9 | Very low | 221 Ų | 221 | 145.7 Ų | 145.7 | 97% | 0.969 | 85% | 0.853 | S | S | * | * | trans | -49.4 | 142.8 | 166.9 | -84.4 | -120.7 | 0 | 0 | 0 | 115.1 | ||||
| 30 | G | 34.9 | Very low | 35.5 | Very low | 81 Ų | 81 | 148.8 Ų | 148.8 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | 97.4 | 122.1 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 31 | S | 38.2 | Very low | 35.7 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 94% | 0.944 | 85% | 0.848 | S | S | * | * | trans | -136.6 | 128.4 | 150.4 | -175.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 32 | G | 31.5 | Very low | 36.1 | Very low | 67 Ų | 67 | 153.7 Ų | 153.7 | 69% | 0.691 | 86% | 0.858 | S | S | * | * | trans | 153.3 | 27.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 33 | I | 36.5 | Very low | 36.2 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 74% | 0.738 | 86% | 0.856 | S | S | * | * | trans | 67.4 | 117.7 | 145.7 | -60.9 | 171.2 | 0 | 0 | 0 | 120 | ||||
| 34 | R | 36.5 | Very low | 36.6 | Very low | 241 Ų | 241 | 154.3 Ų | 154.3 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | trans | 42.7 | 122.3 | 148.2 | -61.6 | 173.4 | -152.3 | 153.9 | 7.8 | 121.1 | ||||
| 35 | G | 34.5 | Very low | 36.4 | Very low | 80 Ų | 80 | 154.5 Ų | 154.5 | 83% | 0.825 | 86% | 0.861 | S | S | * | * | trans | 173.9 | 66.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G37 | G35-G37 PolarHBondContact O-N 3.2Š| ||
| 36 | R | 40 | Very low | 36.7 | Very low | 266 Ų | 266 | 156 Ų | 156 | 100% | 1.004 | 86% | 0.86 | S | S | * | * | trans | -82.7 | 98.3 | -179.6 | -169.7 | -174.9 | -169.2 | -168.9 | 5.6 | 110.7 | ||||
| 37 | G | 32.9 | Very low | 36.8 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 74% | 0.742 | 85% | 0.849 | S | S | * | * | trans | -146 | 126.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G35 | G35-G37 PolarHBondContact O-N 3.2Š| ||
| 38 | R | 47.2 | Very low | 37.3 | Very low | 267 Ų | 267 | 155.1 Ų | 155.1 | 100% | 1.008 | 85% | 0.852 | S | S | * | * | trans | -71.1 | 129.7 | -175.7 | -73.3 | 170.3 | 166.3 | 170.1 | -5.6 | 111.9 | ||||
| 39 | G | 33.9 | Very low | 37.5 | Very low | 75 Ų | 75 | 154.4 Ų | 154.4 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | -143.6 | 74.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G41 | G39-G41 PolarHBondContact O-N 3.49Š| ||
| 40 | R | 46.7 | Very low | 38.3 | Very low | 264 Ų | 264 | 149 Ų | 149 | 100% | 0.996 | 84% | 0.84 | S | S | * | * | trans | -76.2 | 62.9 | 175 | -117.2 | -172 | -176.8 | -177.1 | 1.5 | 111 | R42 | R40-R42 PolarHBondContact O-N 3.36Š| ||
| 41 | G | 35.3 | Very low | 38.6 | Very low | 69 Ų | 69 | 156.8 Ų | 156.8 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | trans | -91.2 | 81.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G39 G43 | G39-G41 PolarHBondContact O-N 3.49Å; G41-G43 PolarHBondContact O-N 3.39Å | ||
| 42 | R | 42.4 | Very low | 38.9 | Very low | 251 Ų | 251 | 153.8 Ų | 153.8 | 95% | 0.947 | 84% | 0.835 | S | S | * | * | trans | -71.5 | 72.6 | 164.8 | -96.1 | -174 | 172 | 177.2 | -2.7 | 109.1 | R40 R44 | R40-R42 PolarHBondContact O-N 3.36Å; R42-R44 VanDerWaalsContact C-N 3.29Å; R42-R44 PolarHBondContact O-N 3.38Å | ||
| 43 | G | 35 | Very low | 39 | Very low | 75 Ų | 75 | 153.4 Ų | 153.4 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -62.2 | 93.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | G41 G45 | G41-G43 PolarHBondContact O-N 3.39Å; G43-G45 PolarHBondContact O-N 3.44Å | ||
| 44 | R | 42.1 | Very low | 39.4 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -61.3 | 88.3 | 162 | -84.7 | 179.5 | 165.4 | 171.5 | -5.2 | 106.4 | R42 R46 | R42-R44 VanDerWaalsContact C-N 3.29Å; R42-R44 PolarHBondContact O-N 3.38Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R44-R46 PolarHBondContact O-N 3.22Å | ||
| 45 | G | 36.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -54.3 | 104.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | G43 G47 | G43-G45 PolarHBondContact O-N 3.44Å; G45-G47 PolarHBondContact O-N 3.3Å | ||
| 46 | R | 40.9 | Very low | 40.7 | Very low | 242 Ų | 242 | 153.5 Ų | 153.5 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -53.9 | 109.3 | 177.3 | -79.6 | 175 | 166 | 168.1 | -6 | 106 | R44 R48 | R44-R46 VanDerWaalsContact C-N 3.34Å; R44-R46 PolarHBondContact O-N 3.22Å; R46-R48 PolarHBondContact O-N 3.13Å | ||
| 47 | G | 36.5 | Very low | 41.5 | Very low | 68 Ų | 68 | 148.9 Ų | 148.9 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -51.8 | 115.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | G45 G49 | G45-G47 PolarHBondContact O-N 3.3Å; G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 2.95Å | ||
| 48 | R | 41.8 | Very low | 43.3 | Very low | 249 Ų | 249 | 154.6 Ų | 154.6 | 94% | 0.94 | 83% | 0.829 | S | S | * | * | trans | -57.8 | 106.9 | 169.5 | -82.7 | -178 | 169 | -179.8 | -3.8 | 104.3 | R46 A50 | R46-R48 PolarHBondContact O-N 3.13Å; R48-A50 PolarHBondContact O-N 2.89Å | ||
| 49 | G | 35.9 | Very low | 44.9 | Very low | 64 Ų | 64 | 148.8 Ų | 148.8 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | -51.4 | 131.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | G47 R51 | G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 2.95Å; G49-R51 PolarHBondContact O-N 2.84Å | ||
| 50 | A | 44.9 | Very low | 47.5 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | -62 | 87.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | R48 G52 | R48-A50 PolarHBondContact O-N 2.89Å; A50-G52 PolarHBondContact O-N 2.89Å | ||
| 51 | R | 42 | Very low | 49.4 | Very low | 245 Ų | 245 | 141.8 Ų | 141.8 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -76.9 | 52.8 | 173.4 | -159.2 | 178.9 | -171.2 | 177.1 | 2.3 | 108.1 | G49 G53 | G49-R51 PolarHBondContact O-N 2.84Å; R51-G53 PolarHBondContact O-N 3Å | ||
| 52 | G | 42.8 | Very low | 51.9 | Low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -69.8 | 61.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | A50 K54 | A50-G52 PolarHBondContact O-N 2.89Å; G52-K54 PolarHBondContact O-N 3.45Å | ||
| 53 | G | 35.1 | Very low | 54.1 | Low | 58 Ų | 58 | 132.5 Ų | 132.5 | 60% | 0.598 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59 | 126.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | R51 A55 | R51-G53 PolarHBondContact O-N 3Å; G53-A55 PolarHBondContact O-N 3.4Å |
| 54 | K | 44.4 | Very low | 56.7 | Low | 204 Ų | 204 | 130.6 Ų | 130.6 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 118.1 | 160.8 | -73.7 | -178.4 | 172.2 | -174.7 | 0 | 105.3 | G52 E56 | G52-K54 PolarHBondContact O-N 3.45Å; K54-E56 PolarHBondContact O-N 3.24Å |
| 55 | A | 47 | Very low | 59 | Low | 88 Ų | 88 | 123.9 Ų | 123.9 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 116.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 104.7 | G53 D57 | G53-A55 PolarHBondContact O-N 3.4Å; A55-D57 PolarHBondContact O-N 3.22Å |
| 56 | E | 51.1 | Low | 61.5 | Low | 175 Ų | 175 | 120.4 Ų | 120.4 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 133.2 | 162.2 | -65.4 | 159.5 | -160.4 | 0 | 0 | 106.8 | K54 K58 | K54-E56 PolarHBondContact O-N 3.24Å; E56-K58 VanDerWaalsContact C-N 3.29Å; E56-K58 WeakPolarHBondContact O-CA 3.48Å; E56-K58 WeakPolarHBondContact O-CB 3.36Å; E56-K58 PolarHBondContact O-N 3.44Å |
| 57 | D | 57.6 | Low | 63.8 | Low | 170 Ų | 170 | 108.9 Ų | 108.9 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | trans | -57.5 | 92.9 | -170.6 | -68.9 | -56.4 | 0 | 0 | 0 | 110.2 | A55 E59 | A55-D57 PolarHBondContact O-N 3.22Å; D57-E59 PolarHBondContact O-N 3.15Å; D57-E59 VanDerWaalsContact O-N 3.09Å | ||
| 58 | K | 69.5 | Low | 66.4 | Low | 192 Ų | 192 | 107.2 Ų | 107.2 | 84% | 0.835 | 57% | 0.573 | S | S | * | * | trans | -83.7 | 103.2 | -161.7 | -160.5 | 174.5 | -169.5 | 176.7 | 0 | 107 | E56 W60 | E56-K58 VanDerWaalsContact C-N 3.29Å; E56-K58 WeakPolarHBondContact O-CA 3.48Å; E56-K58 WeakPolarHBondContact O-CB 3.36Å; E56-K58 PolarHBondContact O-N 3.44Å; K58-W60 PolarHBondContact O-N 3.47Å | ||
| 59 | E | 82.1 | Confident | 68.7 | Low | 144 Ų | 144 | 95.4 Ų | 95.4 | 67% | 0.673 | 53% | 0.528 | S | S | * | . | trans | -47.2 | 113.9 | -174.6 | -162.4 | -153.6 | 139.1 | 0 | 0 | 110.5 | D57 M61 K71 | D57-E59 PolarHBondContact O-N 3.15Å; D57-E59 VanDerWaalsContact O-N 3.09Å; E59-M61 PolarHBondContact O-N 2.94Å; E59-M61 VanDerWaalsContact O-N 3.07Å; E59-K71 IonicContact OE1-NZ 2.67Å; E59-K71 PolarHBondContact OE1-NZ 3.17Å | ||
| 60 | W | 87.9 | Confident | 71.3 | Confident | 42 Ų | 42 | 92.3 Ų | 92.3 | 16% | 0.159 | 50% | 0.497 | C | S | . | . | trans | -63 | 115.6 | -173.2 | 166.3 | 45.9 | 0 | 0 | 0 | 109.6 | K58 P62 V70 K71 E90 E92 I93 F96 | K58-W60 PolarHBondContact O-N 3.47Å; W60-P62 HydrophobicContact CZ2-CB 3.9Å; W60-P62 VanDerWaalsContact O-CD 3.31Å; W60-P62 WeakPolarHBondContact O-CD 3.47Å; W60-V70 HydrophobicContact CH2-CB 4.27Å; W60-V70 HydrophobicContact CH2-CG1 4.03Å; W60-V70 HydrophobicContact CZ3-CG1 4.35Å; W60-K71 HydrophobicContact CZ3-CB 4.2Å; W60-K71 WeakPolarHBondContact O-CD 3.43Å; W60-K71 WeakPolarHBondContact O-CE 3.36Å; W60-K71 PolarHBondContact O-NZ 2.64Å; W60-E90 WeakPolarHBondContact CZ2-OE2 3.2Å; W60-E90 PolarHBondContact NE1-OE2 3.15Å; W60-E92 HydrophobicContact CB-CB 4.4Å; W60-E92 HydrophobicContact CB-CG 4.36Å; W60-E92 HydrophobicContact CD2-CB 3.43Å; W60-E92 VanDerWaalsContact CD2-CB 3.43Å; W60-E92 HydrophobicContact CD2-CG 4.22Å; W60-E92 VanDerWaalsContact CE2-CB 3.48Å; W60-E92 HydrophobicContact CE3-CB 3.92Å; W60-E92 HydrophobicContact CG-CB 3.63Å; W60-E92 HydrophobicContact CG-CG 3.86Å; W60-E92 HydrophobicContact CH2-CB 4.46Å; W60-E92 HydrophobicContact CZ2-CB 4.03Å; W60-E92 HydrophobicContact CZ3-CB 4.4Å; W60-I93 HydrophobicContact CH2-CB 4.42Å; W60-I93 HydrophobicContact CH2-CG1 3.64Å; W60-I93 HydrophobicContact CZ2-CG1 3.59Å; W60-F96 HydrophobicContact CZ3-CB 4.25Å | ||
| 61 | M | 85.8 | Confident | 73.4 | Confident | 151 Ų | 151 | 90.4 Ų | 90.4 | 74% | 0.744 | 47% | 0.468 | S | S | * | . | trans | -101.9 | 99.8 | 173.4 | -85.9 | -171.9 | -96.4 | 0 | 0 | 109.2 | E59 V63 | E59-M61 PolarHBondContact O-N 2.94Å; E59-M61 VanDerWaalsContact O-N 3.07Å; M61-V63 PolarHBondContact O-N 3.48Å | ||
| 62 | P | 89.1 | Confident | 75.7 | Confident | 16 Ų | 16 | 81.6 Ų | 81.6 | 10% | 0.104 | 44% | 0.44 | C | S | . | . | trans | -68.2 | 130.6 | -173.6 | 23.9 | -33.8 | 0 | 0 | 0 | 112.8 | W60 R68 K71 E90 | W60-P62 HydrophobicContact CZ2-CB 3.9Å; W60-P62 VanDerWaalsContact O-CD 3.31Å; W60-P62 WeakPolarHBondContact O-CD 3.47Å; P62-R68 HydrophobicContact CB-CG 4.23Å; P62-R68 HydrophobicContact CG-CB 4.39Å; P62-R68 HydrophobicContact CG-CG 3.8Å; P62-R68 VanDerWaalsContact O-CZ 3.29Å; P62-R68 PolarHBondContact O-NH1 3.03Å; P62-K71 HydrophobicContact CG-CB 4.07Å; P62-K71 HydrophobicContact CG-CD 4.03Å; P62-E90 VanDerWaalsContact CA-OE2 3.28Å; P62-E90 WeakPolarHBondContact CA-OE2 3.45Å; P62-E90 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 63 | V | 87.3 | Confident | 77.9 | Confident | 108 Ų | 108 | 84.9 Ų | 84.9 | 66% | 0.655 | 44% | 0.437 | S | S | * | . | trans | -92.1 | -30 | -177.4 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | M61 R68 E90 | M61-V63 PolarHBondContact O-N 3.48Å; V63-R68 PolarHBondContact O-NH1 3.4Å; V63-E90 HydrophobicContact CG2-CG 4.32Å; V63-E90 WeakPolarHBondContact CG2-OE1 3.29Å; V63-E90 PolarHBondContact N-OE1 3.45Å | ||
| 64 | T | 90.4 | Very high | 80.4 | Confident | 35 Ų | 35 | 85.8 Ų | 85.8 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -82.8 | 167.3 | 177.1 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | G67 R68 K89 E90 | T64-G67 PolarHBondContact OG1-N 2.98Å; T64-R68 PolarHBondContact O-N 3.28Å; T64-R68 PolarHBondContact O-NH1 2.81Å; T64-K89 HydrophobicContact CG2-CB 4.43Å; T64-E90 WeakPolarHBondContact CB-OE1 3.37Å; T64-E90 WeakPolarHBondContact CG2-OE1 3.41Å; T64-E90 PolarHBondContact N-OE1 3.13Å; T64-E90 PolarHBondContact OG1-OE1 3.24Å |
| 65 | K | 89.8 | Confident | 82.6 | Confident | 98 Ų | 98 | 76.1 Ų | 76.1 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 167.9 | -65 | 178.4 | 177.7 | -176.8 | 0 | 110.9 | R68 L69 Y208 L215 H219 | K65-R68 PolarHBondContact O-N 2.86Å; K65-L69 WeakPolarHBondContact O-CG 3.37Å; K65-L69 PolarHBondContact O-N 3.44Å; K65-L69 VanDerWaalsContact O-N 3.13Å; K65-Y208 HydrophobicContact CB-CD1 4.3Å; K65-Y208 HydrophobicContact CB-CE1 3.75Å; K65-L215 HydrophobicContact CB-CD1 4.11Å; K65-L215 HydrophobicContact CB-CD2 3.88Å; K65-L215 HydrophobicContact CD-CD1 4.23Å; K65-L215 HydrophobicContact CG-CD1 4.32Å; K65-L215 HydrophobicContact CG-CD2 4.17Å; K65-H219 WeakPolarHBondContact CE-NE2 3.43Å |
| 66 | L | 90 | Very high | 84.5 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.2 | -52.2 | 178.8 | -167.6 | 72 | 0 | 0 | 0 | 111.6 | R68 L69 V70 I75 I81 L86 I88 I93 | L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.18Å; L66-L69 PolarHBondContact O-N 3.31Å; L66-L69 VanDerWaalsContact O-N 3.11Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.25Å; L66-I75 HydrophobicContact CD1-CD1 3.83Å; L66-I81 HydrophobicContact CD1-CD1 4.21Å; L66-I81 HydrophobicContact CD1-CG1 4.28Å; L66-I81 HydrophobicContact CD1-CG2 4.32Å; L66-I81 HydrophobicContact CD2-CD1 4.48Å; L66-I81 HydrophobicContact CD2-CG2 4.19Å; L66-I81 HydrophobicContact CG-CD1 4.47Å; L66-L86 HydrophobicContact CD1-CB 4.32Å; L66-L86 HydrophobicContact CD1-CD1 3.88Å; L66-I88 HydrophobicContact CD2-CG1 4.12Å; L66-I93 HydrophobicContact CB-CD1 4.3Å; L66-I93 HydrophobicContact CD2-CD1 3.84Å; L66-I93 HydrophobicContact CG-CD1 4.03Å |
| 67 | G | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.8 | -38 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T64 V70 K71 | T64-G67 PolarHBondContact OG1-N 2.98Å; G67-V70 PolarHBondContact O-N 2.95Å; G67-K71 WeakPolarHBondContact O-CB 3.06Å; G67-K71 PolarHBondContact O-N 3.02Å |
| 68 | R | 89.6 | Confident | 87.7 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 13% | 0.125 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 173.2 | -74.3 | 178.7 | -175.9 | 78.3 | -3.9 | 111.5 | P62 V63 T64 K65 L66 V70 K71 D72 T218 H219 | P62-R68 HydrophobicContact CB-CG 4.23Å; P62-R68 HydrophobicContact CG-CB 4.39Å; P62-R68 HydrophobicContact CG-CG 3.8Å; P62-R68 VanDerWaalsContact O-CZ 3.29Å; P62-R68 PolarHBondContact O-NH1 3.03Å; V63-R68 PolarHBondContact O-NH1 3.4Å; T64-R68 PolarHBondContact O-N 3.28Å; T64-R68 PolarHBondContact O-NH1 2.81Å; K65-R68 PolarHBondContact O-N 2.86Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.18Å; R68-V70 PolarHBondContact O-N 3.4Å; R68-K71 PolarHBondContact O-N 3.37Å; R68-D72 WeakPolarHBondContact O-CB 3.41Å; R68-D72 PolarHBondContact O-N 3.19Å; R68-D72 VanDerWaalsContact O-OD2 3.08Å; R68-T218 PolarHBondContact NE-O 3.02Å; R68-H219 PolarHBondContact NH1-ND1 2.85Å |
| 69 | L | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -29.2 | 178.2 | -67.3 | 177.3 | 0 | 0 | 0 | 113.5 | K65 L66 K74 I75 P207 Y208 F211 L215 | K65-L69 WeakPolarHBondContact O-CG 3.37Å; K65-L69 PolarHBondContact O-N 3.44Å; K65-L69 VanDerWaalsContact O-N 3.13Å; L66-L69 PolarHBondContact O-N 3.31Å; L66-L69 VanDerWaalsContact O-N 3.11Å; L69-K74 HydrophobicContact CB-CB 4.32Å; L69-K74 HydrophobicContact CD2-CB 3.97Å; L69-K74 HydrophobicContact CD2-CG 4.05Å; L69-K74 WeakPolarHBondContact O-CA 3.43Å; L69-K74 WeakPolarHBondContact O-CB 3.47Å; L69-K74 PolarHBondContact O-N 3.37Å; L69-I75 HydrophobicContact CB-CD1 3.75Å; L69-I75 HydrophobicContact CB-CG1 4.05Å; L69-I75 HydrophobicContact CD1-CD1 4.2Å; L69-I75 PolarHBondContact O-N 3.35Å; L69-I75 VanDerWaalsContact O-N 3.15Å; L69-P207 HydrophobicContact CD1-CB 4.4Å; L69-Y208 HydrophobicContact CD1-CD1 3.97Å; L69-Y208 HydrophobicContact CD1-CE1 4.27Å; L69-F211 HydrophobicContact CD1-CB 4.34Å; L69-F211 HydrophobicContact CD1-CD2 4.26Å; L69-F211 HydrophobicContact CD2-CB 3.39Å; L69-F211 HydrophobicContact CD2-CD2 3.96Å; L69-F211 HydrophobicContact CD2-CG 3.88Å; L69-L215 HydrophobicContact CD1-CD1 4.19Å; L69-L215 HydrophobicContact CD2-CD2 4.18Å; L69-L215 HydrophobicContact CD2-CG 4.17Å; L69-L215 HydrophobicContact CG-CD2 4.08Å; L69-L215 HydrophobicContact CG-CG 4.4Å |
| 70 | V | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76 | -52.5 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 111 | W60 L66 G67 R68 D72 M73 I75 I81 I93 F96 F97 | W60-V70 HydrophobicContact CH2-CB 4.27Å; W60-V70 HydrophobicContact CH2-CG1 4.03Å; W60-V70 HydrophobicContact CZ3-CG1 4.35Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.25Å; G67-V70 PolarHBondContact O-N 2.95Å; R68-V70 PolarHBondContact O-N 3.4Å; V70-D72 VanDerWaalsContact C-N 3.28Å; V70-D72 PolarHBondContact O-N 2.65Å; V70-M73 PolarHBondContact O-N 2.85Å; V70-I75 HydrophobicContact CG2-CB 4.29Å; V70-I75 HydrophobicContact CG2-CD1 4.38Å; V70-I81 HydrophobicContact CG2-CD1 4.13Å; V70-I93 HydrophobicContact CG1-CG2 4.42Å; V70-I93 HydrophobicContact CG2-CG2 4.09Å; V70-F96 HydrophobicContact CG1-CB 4.23Å; V70-F96 HydrophobicContact CG1-CD1 3.5Å; V70-F96 HydrophobicContact CG1-CE1 4.08Å; V70-F96 HydrophobicContact CG1-CG 3.97Å; V70-F97 HydrophobicContact CB-CE2 4.37Å; V70-F97 HydrophobicContact CG1-CD2 4.38Å; V70-F97 HydrophobicContact CG1-CE2 3.62Å; V70-F97 HydrophobicContact CG1-CZ 3.84Å; V70-F97 HydrophobicContact CG2-CE2 3.79Å; V70-F97 HydrophobicContact CG2-CZ 4.07Å |
| 71 | K | 88.9 | Confident | 88.8 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 178.1 | -175.3 | 174.2 | -179.2 | 179 | 0 | 112.5 | E59 W60 P62 G67 R68 M73 | E59-K71 IonicContact OE1-NZ 2.67Å; E59-K71 PolarHBondContact OE1-NZ 3.17Å; W60-K71 HydrophobicContact CZ3-CB 4.2Å; W60-K71 WeakPolarHBondContact O-CD 3.43Å; W60-K71 WeakPolarHBondContact O-CE 3.36Å; W60-K71 PolarHBondContact O-NZ 2.64Å; P62-K71 HydrophobicContact CG-CB 4.07Å; P62-K71 HydrophobicContact CG-CD 4.03Å; G67-K71 WeakPolarHBondContact O-CB 3.06Å; G67-K71 PolarHBondContact O-N 3.02Å; R68-K71 PolarHBondContact O-N 3.37Å; K71-M73 PolarHBondContact O-N 3.19Å |
| 72 | D | 89.3 | Confident | 88.9 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 12.5 | 179.7 | -55.7 | -30.7 | 0 | 0 | 0 | 112.8 | R68 V70 K74 H214 | R68-D72 WeakPolarHBondContact O-CB 3.41Å; R68-D72 PolarHBondContact O-N 3.19Å; R68-D72 VanDerWaalsContact O-OD2 3.08Å; V70-D72 VanDerWaalsContact C-N 3.28Å; V70-D72 PolarHBondContact O-N 2.65Å; D72-K74 HydrophobicContact CB-CG 4.36Å; D72-K74 PolarHBondContact O-N 3.12Å; D72-K74 VanDerWaalsContact O-N 3.16Å; D72-H214 IonicContact OD2-CE1 3.24Å; D72-H214 PolarHBondContact OD2-CE1 2.99Å; D72-H214 VanDerWaalsContact OD2-CE1 3.24Å |
| 73 | M | 88.8 | Confident | 88.9 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34.4 | 177.8 | -63.5 | -173.4 | -76.1 | 0 | 0 | 114.8 | V70 K71 F96 | V70-M73 PolarHBondContact O-N 2.85Å; K71-M73 PolarHBondContact O-N 3.19Å; M73-F96 HydrophobicContact CG-CZ 4.15Å |
| 74 | K | 88.6 | Confident | 89 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | trans | -84.6 | -40.1 | 175 | -59 | -54.3 | -178.1 | -170.1 | 0 | 112.1 | L69 D72 F211 H214 | L69-K74 HydrophobicContact CB-CB 4.32Å; L69-K74 HydrophobicContact CD2-CB 3.97Å; L69-K74 HydrophobicContact CD2-CG 4.05Å; L69-K74 WeakPolarHBondContact O-CA 3.43Å; L69-K74 WeakPolarHBondContact O-CB 3.47Å; L69-K74 PolarHBondContact O-N 3.37Å; D72-K74 HydrophobicContact CB-CG 4.36Å; D72-K74 PolarHBondContact O-N 3.12Å; D72-K74 VanDerWaalsContact O-N 3.16Å; K74-F211 HydrophobicContact CB-CD1 4.2Å; K74-F211 HydrophobicContact CB-CD2 3.85Å; K74-F211 HydrophobicContact CB-CE1 4.13Å; K74-F211 HydrophobicContact CB-CE2 3.78Å; K74-F211 HydrophobicContact CB-CG 4.08Å; K74-F211 HydrophobicContact CB-CZ 3.93Å; K74-F211 HydrophobicContact CD-CD1 4.29Å; K74-F211 HydrophobicContact CD-CE1 4.22Å; K74-F211 HydrophobicContact CG-CD1 4.32Å; K74-F211 HydrophobicContact CG-CG 4.42Å; K74-H214 WeakPolarHBondContact CE-NE2 3.21Å | ||
| 75 | I | 89.6 | Confident | 89 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | trans | -91.8 | 122.5 | 170.2 | -65.8 | 170.7 | 0 | 0 | 0 | 107.3 | L66 L69 V70 S77 E80 I81 F97 P207 | L66-I75 HydrophobicContact CD1-CD1 3.83Å; L69-I75 HydrophobicContact CB-CD1 3.75Å; L69-I75 HydrophobicContact CB-CG1 4.05Å; L69-I75 HydrophobicContact CD1-CD1 4.2Å; L69-I75 PolarHBondContact O-N 3.35Å; L69-I75 VanDerWaalsContact O-N 3.15Å; V70-I75 HydrophobicContact CG2-CB 4.29Å; V70-I75 HydrophobicContact CG2-CD1 4.38Å; I75-S77 VanDerWaalsContact CG2-O 3.29Å; I75-S77 WeakPolarHBondContact CG2-O 3.37Å; I75-E80 WeakPolarHBondContact CA-OE2 3.43Å; I75-E80 HydrophobicContact CG2-CB 4.16Å; I75-I81 HydrophobicContact CD1-CG1 4.47Å; I75-I81 HydrophobicContact CG2-CD1 4.15Å; I75-I81 HydrophobicContact CG2-CG1 3.84Å; I75-F97 HydrophobicContact CG2-CZ 4.06Å; I75-P207 HydrophobicContact CD1-CB 3.99Å; I75-P207 HydrophobicContact CD1-CG 4.42Å; I75-P207 HydrophobicContact CG1-CB 4.04Å; I75-P207 HydrophobicContact CG1-CG 4.41Å | ||
| 76 | K | 86.9 | Confident | 89 | Confident | 175 Ų | 175 | 60.8 Ų | 60.8 | 76% | 0.761 | 30% | 0.295 | S | S | * | . | trans | -96.6 | -21.8 | -173.3 | -65.7 | 178 | -176.4 | 173.2 | 0 | 113.2 | E80 F97 | K76-E80 PolarHBondContact N-OE1 2.86Å; K76-E80 PolarHBondContact N-OE2 3.18Å; K76-F97 WeakPolarHBondContact O-CE1 3.37Å | ||
| 77 | S | 88.5 | Confident | 89 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | trans | -135.7 | 152.1 | -176 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | I75 E79 E80 | I75-S77 VanDerWaalsContact CG2-O 3.29Å; I75-S77 WeakPolarHBondContact CG2-O 3.37Å; S77-E79 PolarHBondContact O-N 3.48Å; S77-E80 WeakPolarHBondContact CB-OE1 3.04Å; S77-E80 PolarHBondContact N-OE1 3.16Å; S77-E80 VanDerWaalsContact OG-CD 3.26Å; S77-E80 VanDerWaalsContact OG-CG 3.29Å; S77-E80 WeakPolarHBondContact OG-CG 3.47Å; S77-E80 PolarHBondContact OG-N 3.43Å; S77-E80 PolarHBondContact OG-OE1 3.26Å | ||
| 78 | L | 87.7 | Confident | 89.1 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -23.5 | 168.1 | -171.5 | 60.2 | 0 | 0 | 0 | 111.6 | I81 Y82 I88 F97 L98 | L78-I81 HydrophobicContact CD1-CB 4.49Å; L78-I81 HydrophobicContact CD1-CD1 4.16Å; L78-I81 WeakPolarHBondContact O-CB 3.43Å; L78-I81 PolarHBondContact O-N 3.04Å; L78-Y82 HydrophobicContact CD1-CE1 4.31Å; L78-Y82 HydrophobicContact CD2-CE2 3.93Å; L78-Y82 WeakPolarHBondContact CD2-OH 3.4Å; L78-Y82 HydrophobicContact CG-CD2 4.31Å; L78-Y82 HydrophobicContact CG-CE1 4.29Å; L78-Y82 HydrophobicContact CG-CE2 3.7Å; L78-Y82 PolarHBondContact O-N 3.26Å; L78-Y82 VanDerWaalsContact O-N 3.12Å; L78-I88 HydrophobicContact CD1-CD1 3.78Å; L78-F97 HydrophobicContact CB-CD2 4.36Å; L78-F97 HydrophobicContact CB-CG 4.46Å; L78-F97 HydrophobicContact CD1-CD2 4.37Å; L78-L98 HydrophobicContact CD2-CD1 3.73Å; L78-L98 HydrophobicContact CD2-CG 4.31Å |
| 79 | E | 85.8 | Confident | 89.1 | Confident | 154 Ų | 154 | 73.6 Ų | 73.6 | 72% | 0.72 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 177.3 | -60.1 | -179.6 | 175.7 | 0 | 0 | 112.1 | S77 I81 Y82 L83 | S77-E79 PolarHBondContact O-N 3.48Å; E79-I81 VanDerWaalsContact C-N 3.27Å; E79-I81 PolarHBondContact O-N 3.42Å; E79-Y82 PolarHBondContact O-N 2.98Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.27Å |
| 80 | E | 87.4 | Confident | 89 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.6 | -40.1 | 171.3 | -74.7 | 152.7 | -118.2 | 0 | 0 | 111.9 | I75 K76 S77 F84 | I75-E80 WeakPolarHBondContact CA-OE2 3.43Å; I75-E80 HydrophobicContact CG2-CB 4.16Å; K76-E80 PolarHBondContact N-OE1 2.86Å; K76-E80 PolarHBondContact N-OE2 3.18Å; S77-E80 WeakPolarHBondContact CB-OE1 3.04Å; S77-E80 PolarHBondContact N-OE1 3.16Å; S77-E80 VanDerWaalsContact OG-CD 3.26Å; S77-E80 VanDerWaalsContact OG-CG 3.29Å; S77-E80 WeakPolarHBondContact OG-CG 3.47Å; S77-E80 PolarHBondContact OG-N 3.43Å; S77-E80 PolarHBondContact OG-OE1 3.26Å; E80-F84 WeakPolarHBondContact O-CD2 3.47Å; E80-F84 PolarHBondContact O-N 3.15Å |
| 81 | I | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 179.3 | -55.8 | -176.2 | 0 | 0 | 0 | 110.4 | L66 V70 I75 L78 E79 S85 L86 I88 I93 F97 | L66-I81 HydrophobicContact CD1-CD1 4.21Å; L66-I81 HydrophobicContact CD1-CG1 4.28Å; L66-I81 HydrophobicContact CD1-CG2 4.32Å; L66-I81 HydrophobicContact CD2-CD1 4.48Å; L66-I81 HydrophobicContact CD2-CG2 4.19Å; L66-I81 HydrophobicContact CG-CD1 4.47Å; V70-I81 HydrophobicContact CG2-CD1 4.13Å; I75-I81 HydrophobicContact CD1-CG1 4.47Å; I75-I81 HydrophobicContact CG2-CD1 4.15Å; I75-I81 HydrophobicContact CG2-CG1 3.84Å; L78-I81 HydrophobicContact CD1-CB 4.49Å; L78-I81 HydrophobicContact CD1-CD1 4.16Å; L78-I81 WeakPolarHBondContact O-CB 3.43Å; L78-I81 PolarHBondContact O-N 3.04Å; E79-I81 VanDerWaalsContact C-N 3.27Å; E79-I81 PolarHBondContact O-N 3.42Å; I81-S85 PolarHBondContact O-N 3.21Å; I81-L86 HydrophobicContact CG2-CB 3.97Å; I81-L86 PolarHBondContact O-N 3.3Å; I81-I88 HydrophobicContact CG2-CD1 4.18Å; I81-I88 HydrophobicContact CG2-CG1 3.93Å; I81-I93 HydrophobicContact CD1-CG2 4.11Å; I81-F97 HydrophobicContact CD1-CE2 3.94Å |
| 82 | Y | 88.1 | Confident | 88.9 | Confident | 145 Ų | 145 | 78.4 Ų | 78.4 | 57% | 0.569 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -71.6 | -38.7 | 177.9 | -65.4 | -27.2 | 0 | 0 | 0 | 113.2 | L78 E79 F84 S85 I88 | L78-Y82 HydrophobicContact CD1-CE1 4.31Å; L78-Y82 HydrophobicContact CD2-CE2 3.93Å; L78-Y82 WeakPolarHBondContact CD2-OH 3.4Å; L78-Y82 HydrophobicContact CG-CD2 4.31Å; L78-Y82 HydrophobicContact CG-CE1 4.29Å; L78-Y82 HydrophobicContact CG-CE2 3.7Å; L78-Y82 PolarHBondContact O-N 3.26Å; L78-Y82 VanDerWaalsContact O-N 3.12Å; E79-Y82 PolarHBondContact O-N 2.98Å; Y82-F84 VanDerWaalsContact C-N 3.27Å; Y82-F84 PolarHBondContact O-N 2.98Å; Y82-S85 PolarHBondContact O-N 3.03Å; Y82-I88 HydrophobicContact CE1-CD1 4.37Å |
| 83 | L | 88.6 | Confident | 88.9 | Confident | 122 Ų | 122 | 75.5 Ų | 75.5 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55.7 | -43.1 | 177.3 | -178.8 | 64.4 | 0 | 0 | 0 | 111.8 | E79 | E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.27Å |
| 84 | F | 89.3 | Confident | 88.8 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8.6 | 177.7 | -66.2 | -74.9 | 0 | 0 | 0 | 114 | E80 Y82 L86 T204 K205 P207 | E80-F84 WeakPolarHBondContact O-CD2 3.47Å; E80-F84 PolarHBondContact O-N 3.15Å; Y82-F84 VanDerWaalsContact C-N 3.27Å; Y82-F84 PolarHBondContact O-N 2.98Å; F84-L86 HydrophobicContact CB-CD1 4.28Å; F84-L86 HydrophobicContact CB-CD2 4.14Å; F84-L86 HydrophobicContact CB-CG 3.84Å; F84-L86 PolarHBondContact O-N 3.38Å; F84-T204 WeakPolarHBondContact CZ-OG1 3.45Å; F84-K205 WeakPolarHBondContact CZ-O 3.3Å; F84-P207 HydrophobicContact CD2-CG 4.14Å; F84-P207 HydrophobicContact CE2-CG 4.39Å |
| 85 | S | 89.9 | Confident | 88.7 | Confident | 106 Ų | 106 | 72 Ų | 72 | 74% | 0.741 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.8 | 179.3 | -63.7 | 0 | 0 | 0 | 0 | 114 | I81 Y82 | I81-S85 PolarHBondContact O-N 3.21Å; Y82-S85 PolarHBondContact O-N 3.03Å |
| 86 | L | 89.3 | Confident | 88.5 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | trans | -77.9 | 131 | -173.9 | -60.1 | -177.2 | 0 | 0 | 0 | 111.4 | L66 I81 F84 I88 Y208 | L66-L86 HydrophobicContact CD1-CB 4.32Å; L66-L86 HydrophobicContact CD1-CD1 3.88Å; I81-L86 HydrophobicContact CG2-CB 3.97Å; I81-L86 PolarHBondContact O-N 3.3Å; F84-L86 HydrophobicContact CB-CD1 4.28Å; F84-L86 HydrophobicContact CB-CD2 4.14Å; F84-L86 HydrophobicContact CB-CG 3.84Å; F84-L86 PolarHBondContact O-N 3.38Å; L86-I88 PolarHBondContact O-N 3.11Å; L86-Y208 HydrophobicContact CD1-CE2 4.09Å; L86-Y208 HydrophobicContact CD2-CD2 4.16Å; L86-Y208 HydrophobicContact CD2-CE2 3.67Å; L86-Y208 HydrophobicContact CG-CE2 4.46Å | ||
| 87 | P | 90.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | trans | -75 | 114.1 | -176.8 | 28.7 | -34.3 | 0 | 0 | 0 | 111.8 | ||||
| 88 | I | 92.3 | Very high | 88.2 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | trans | -72.8 | 126.4 | 171.3 | -56.2 | 174.4 | 0 | 0 | 0 | 108.9 | L66 L78 I81 Y82 L86 E90 I93 I94 | L66-I88 HydrophobicContact CD2-CG1 4.12Å; L78-I88 HydrophobicContact CD1-CD1 3.78Å; I81-I88 HydrophobicContact CG2-CD1 4.18Å; I81-I88 HydrophobicContact CG2-CG1 3.93Å; Y82-I88 HydrophobicContact CE1-CD1 4.37Å; L86-I88 PolarHBondContact O-N 3.11Å; I88-E90 WeakPolarHBondContact CG2-O 3.43Å; I88-I93 HydrophobicContact CG2-CB 4.19Å; I88-I93 HydrophobicContact CG2-CD1 4.33Å; I88-I93 HydrophobicContact CG2-CG2 4.28Å; I88-I94 HydrophobicContact CD1-CG1 4.37Å; I88-I94 HydrophobicContact CG2-CD1 4.33Å; I88-I94 HydrophobicContact CG2-CG1 4.18Å | ||
| 89 | K | 90.6 | Very high | 87.5 | Confident | 167 Ų | 167 | 72.9 Ų | 72.9 | 73% | 0.726 | 38% | 0.379 | S | S | * | . | trans | -125.4 | -8.2 | -178.3 | -63.2 | -174.2 | -179.2 | -176.2 | 0 | 114.4 | T64 | T64-K89 HydrophobicContact CG2-CB 4.43Š| ||
| 90 | E | 88.8 | Confident | 87 | Confident | 15 Ų | 15 | 71 Ų | 71 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | trans | -117.5 | 127.6 | 177.9 | -68.5 | 170.8 | -136.6 | 0 | 0 | 106 | W60 P62 V63 T64 I88 E92 I93 | W60-E90 WeakPolarHBondContact CZ2-OE2 3.2Å; W60-E90 PolarHBondContact NE1-OE2 3.15Å; P62-E90 VanDerWaalsContact CA-OE2 3.28Å; P62-E90 WeakPolarHBondContact CA-OE2 3.45Å; P62-E90 WeakPolarHBondContact CB-OE2 3.43Å; V63-E90 HydrophobicContact CG2-CG 4.32Å; V63-E90 WeakPolarHBondContact CG2-OE1 3.29Å; V63-E90 PolarHBondContact N-OE1 3.45Å; T64-E90 WeakPolarHBondContact CB-OE1 3.37Å; T64-E90 WeakPolarHBondContact CG2-OE1 3.41Å; T64-E90 PolarHBondContact N-OE1 3.13Å; T64-E90 PolarHBondContact OG1-OE1 3.24Å; I88-E90 WeakPolarHBondContact CG2-O 3.43Å; E90-E92 VanDerWaalsContact C-N 3.26Å; E90-I93 HydrophobicContact CB-CD1 3.95Å; E90-I93 HydrophobicContact CB-CG1 4.07Å | ||
| 91 | S | 86.9 | Confident | 86.5 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 54% | 0.538 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -30.4 | -179.4 | 44.4 | 0 | 0 | 0 | 0 | 111.4 | I93 I94 D95 | S91-I93 PolarHBondContact O-N 3.24Å; S91-I93 VanDerWaalsContact O-N 3.09Å; S91-I94 WeakPolarHBondContact O-CA 3.29Å; S91-I94 WeakPolarHBondContact O-CB 3.41Å; S91-I94 PolarHBondContact O-N 3.01Å; S91-D95 PolarHBondContact O-N 3.21Å; S91-D95 VanDerWaalsContact O-N 3.11Å |
| 92 | E | 89.7 | Confident | 85.9 | Confident | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.35 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.2 | -23.7 | 179.8 | -56.2 | 94.3 | 144.4 | 0 | 0 | 112.5 | W60 E90 D95 F96 | W60-E92 HydrophobicContact CB-CB 4.4Å; W60-E92 HydrophobicContact CB-CG 4.36Å; W60-E92 HydrophobicContact CD2-CB 3.43Å; W60-E92 VanDerWaalsContact CD2-CB 3.43Å; W60-E92 HydrophobicContact CD2-CG 4.22Å; W60-E92 VanDerWaalsContact CE2-CB 3.48Å; W60-E92 HydrophobicContact CE3-CB 3.92Å; W60-E92 HydrophobicContact CG-CB 3.63Å; W60-E92 HydrophobicContact CG-CG 3.86Å; W60-E92 HydrophobicContact CH2-CB 4.46Å; W60-E92 HydrophobicContact CZ2-CB 4.03Å; W60-E92 HydrophobicContact CZ3-CB 4.4Å; E90-E92 VanDerWaalsContact C-N 3.26Å; E92-D95 PolarHBondContact O-N 2.8Å; E92-F96 WeakPolarHBondContact O-CB 3.47Å; E92-F96 PolarHBondContact O-N 3.17Å |
| 93 | I | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 170.7 | -66.4 | 173.3 | 0 | 0 | 0 | 111.2 | W60 L66 V70 I81 I88 E90 S91 F97 | W60-I93 HydrophobicContact CH2-CB 4.42Å; W60-I93 HydrophobicContact CH2-CG1 3.64Å; W60-I93 HydrophobicContact CZ2-CG1 3.59Å; L66-I93 HydrophobicContact CB-CD1 4.3Å; L66-I93 HydrophobicContact CD2-CD1 3.84Å; L66-I93 HydrophobicContact CG-CD1 4.03Å; V70-I93 HydrophobicContact CG1-CG2 4.42Å; V70-I93 HydrophobicContact CG2-CG2 4.09Å; I81-I93 HydrophobicContact CD1-CG2 4.11Å; I88-I93 HydrophobicContact CG2-CB 4.19Å; I88-I93 HydrophobicContact CG2-CD1 4.33Å; I88-I93 HydrophobicContact CG2-CG2 4.28Å; E90-I93 HydrophobicContact CB-CD1 3.95Å; E90-I93 HydrophobicContact CB-CG1 4.07Å; S91-I93 PolarHBondContact O-N 3.24Å; S91-I93 VanDerWaalsContact O-N 3.09Å; I93-F97 HydrophobicContact CG2-CD2 4.39Å; I93-F97 HydrophobicContact CG2-CE2 4.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.21Å; I93-F97 PolarHBondContact O-N 3.36Å |
| 94 | I | 87.1 | Confident | 84.3 | Confident | 58 Ų | 58 | 79.9 Ų | 79.9 | 30% | 0.297 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -74 | -40.5 | 178.6 | -58.1 | 177.2 | 0 | 0 | 0 | 109.3 | I88 S91 F96 F97 L98 L102 | I88-I94 HydrophobicContact CD1-CG1 4.37Å; I88-I94 HydrophobicContact CG2-CD1 4.33Å; I88-I94 HydrophobicContact CG2-CG1 4.18Å; S91-I94 WeakPolarHBondContact O-CA 3.29Å; S91-I94 WeakPolarHBondContact O-CB 3.41Å; S91-I94 PolarHBondContact O-N 3.01Å; I94-F96 VanDerWaalsContact C-N 3.29Å; I94-F96 PolarHBondContact O-N 2.85Å; I94-F97 PolarHBondContact O-N 3.38Å; I94-L98 HydrophobicContact CG2-CD1 4.32Å; I94-L98 PolarHBondContact O-N 3.5Å; I94-L102 HydrophobicContact CG2-CD1 3.89Å |
| 95 | D | 86.6 | Confident | 83.1 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 177.3 | -56.8 | -36.5 | 0 | 0 | 0 | 111.8 | S91 E92 G99 | S91-D95 PolarHBondContact O-N 3.21Å; S91-D95 VanDerWaalsContact O-N 3.11Å; E92-D95 PolarHBondContact O-N 2.8Å; D95-G99 WeakPolarHBondContact O-CA 3.42Å; D95-G99 PolarHBondContact O-N 3.29Å |
| 96 | F | 86.6 | Confident | 81.9 | Confident | 98 Ų | 98 | 82.2 Ų | 82.2 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 175.2 | -178.1 | -95.7 | 0 | 0 | 0 | 113.1 | W60 V70 M73 E92 I94 | W60-F96 HydrophobicContact CZ3-CB 4.25Å; V70-F96 HydrophobicContact CG1-CB 4.23Å; V70-F96 HydrophobicContact CG1-CD1 3.5Å; V70-F96 HydrophobicContact CG1-CE1 4.08Å; V70-F96 HydrophobicContact CG1-CG 3.97Å; M73-F96 HydrophobicContact CG-CZ 4.15Å; E92-F96 WeakPolarHBondContact O-CB 3.47Å; E92-F96 PolarHBondContact O-N 3.17Å; I94-F96 VanDerWaalsContact C-N 3.29Å; I94-F96 PolarHBondContact O-N 2.85Å |
| 97 | F | 85.4 | Confident | 80.6 | Confident | 45 Ų | 45 | 83 Ų | 83 | 20% | 0.197 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -84.7 | -35 | -178.4 | -71.8 | -61.3 | 0 | 0 | 0 | 114 | V70 I75 K76 L78 I81 I93 I94 | V70-F97 HydrophobicContact CB-CE2 4.37Å; V70-F97 HydrophobicContact CG1-CD2 4.38Å; V70-F97 HydrophobicContact CG1-CE2 3.62Å; V70-F97 HydrophobicContact CG1-CZ 3.84Å; V70-F97 HydrophobicContact CG2-CE2 3.79Å; V70-F97 HydrophobicContact CG2-CZ 4.07Å; I75-F97 HydrophobicContact CG2-CZ 4.06Å; K76-F97 WeakPolarHBondContact O-CE1 3.37Å; L78-F97 HydrophobicContact CB-CD2 4.36Å; L78-F97 HydrophobicContact CB-CG 4.46Å; L78-F97 HydrophobicContact CD1-CD2 4.37Å; I81-F97 HydrophobicContact CD1-CE2 3.94Å; I93-F97 HydrophobicContact CG2-CD2 4.39Å; I93-F97 HydrophobicContact CG2-CE2 4.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.21Å; I93-F97 PolarHBondContact O-N 3.36Å; I94-F97 PolarHBondContact O-N 3.38Å |
| 98 | L | 83.3 | Confident | 78.6 | Confident | 60 Ų | 60 | 87 Ų | 87 | 31% | 0.314 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -126.1 | -4.9 | -167.7 | -60.1 | 179.1 | 0 | 0 | 0 | 114.2 | L78 I94 A100 S101 L102 | L78-L98 HydrophobicContact CD2-CD1 3.73Å; L78-L98 HydrophobicContact CD2-CG 4.31Å; I94-L98 HydrophobicContact CG2-CD1 4.32Å; I94-L98 PolarHBondContact O-N 3.5Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.84Å; L98-A100 VanDerWaalsContact O-N 3.11Å; L98-S101 WeakPolarHBondContact O-CA 3.4Å; L98-S101 PolarHBondContact O-N 3.39Å; L98-S101 PolarHBondContact O-OG 3.49Å; L98-L102 HydrophobicContact CB-CD1 3.89Å; L98-L102 HydrophobicContact CB-CD2 4.25Å; L98-L102 HydrophobicContact CB-CG 3.78Å; L98-L102 HydrophobicContact CD1-CD2 4.32Å; L98-L102 PolarHBondContact O-N 3.14Å |
| 99 | G | 73.3 | Confident | 75.9 | Confident | 41 Ų | 41 | 91.6 Ų | 91.6 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D95 S101 | D95-G99 WeakPolarHBondContact O-CA 3.42Å; D95-G99 PolarHBondContact O-N 3.29Å; G99-S101 VanDerWaalsContact C-N 3.33Å |
| 100 | A | 73.9 | Confident | 73 | Confident | 114 Ų | 114 | 91.5 Ų | 91.5 | 94% | 0.942 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L98 | L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.84Å; L98-A100 VanDerWaalsContact O-N 3.11Å |
| 101 | S | 76.8 | Confident | 70.2 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 54% | 0.538 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -19.7 | -174.5 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | L98 G99 | L98-S101 WeakPolarHBondContact O-CA 3.4Å; L98-S101 PolarHBondContact O-N 3.39Å; L98-S101 PolarHBondContact O-OG 3.49Å; G99-S101 VanDerWaalsContact C-N 3.33Å |
| 102 | L | 77.4 | Confident | 67.4 | Low | 88 Ų | 88 | 98.5 Ų | 98.5 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | trans | -70.1 | 141.3 | 179.5 | -72 | 172.8 | 0 | 0 | 0 | 111.7 | I94 L98 | I94-L102 HydrophobicContact CG2-CD1 3.89Å; L98-L102 HydrophobicContact CB-CD1 3.89Å; L98-L102 HydrophobicContact CB-CD2 4.25Å; L98-L102 HydrophobicContact CB-CG 3.78Å; L98-L102 HydrophobicContact CD1-CD2 4.32Å; L98-L102 PolarHBondContact O-N 3.14Å | ||
| 103 | K | 73.5 | Confident | 64.8 | Low | 180 Ų | 180 | 103.7 Ų | 103.7 | 78% | 0.783 | 56% | 0.562 | S | S | * | * | trans | -123.7 | 111.1 | 176.2 | -66.7 | 177.2 | -177 | 172 | 0 | 108.6 | ||||
| 104 | D | 70.6 | Confident | 62.2 | Low | 168 Ų | 168 | 112.2 Ų | 112.2 | 90% | 0.898 | 60% | 0.599 | S | S | * | * | trans | -80.7 | 125.5 | 175.6 | -75 | -29.9 | 0 | 0 | 0 | 111.3 | ||||
| 105 | E | 65.1 | Low | 60 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 42% | 0.416 | 62% | 0.624 | S | S | . | * | trans | -126.8 | 116.2 | 172.6 | -162.6 | -176 | -176 | 0 | 0 | 112.1 | L107 K154 M158 | E105-L107 PolarHBondContact O-N 3.32Å; E105-K154 HydrophobicContact CG-CD 4.42Å; E105-K154 WeakPolarHBondContact OE1-CD 3.41Å; E105-K154 WeakPolarHBondContact OE1-CE 3.35Å; E105-K154 IonicContact OE1-NZ 2.64Å; E105-K154 PolarHBondContact OE1-NZ 3.35Å; E105-K154 VanDerWaalsContact OE2-CD 3.3Å; E105-K154 WeakPolarHBondContact OE2-CD 3.48Å; E105-K154 VanDerWaalsContact OE2-CG 3.27Å; E105-K154 WeakPolarHBondContact OE2-CG 3.35Å; E105-M158 HydrophobicContact CB-SD 4.25Å | ||
| 106 | V | 64.6 | Low | 57.7 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | trans | -71.4 | 113.4 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | K108 | V106-K108 PolarHBondContact O-N 2.89Š| ||
| 107 | L | 60.1 | Low | 55.5 | Low | 42 Ų | 42 | 123.4 Ų | 123.4 | 22% | 0.22 | 64% | 0.643 | C | S | . | * | trans | -63.2 | -10.5 | -172.4 | -66.6 | 174.4 | 0 | 0 | 0 | 115.6 | E105 I109 K154 L155 M158 L175 A179 | E105-L107 PolarHBondContact O-N 3.32Å; L107-I109 PolarHBondContact O-N 2.83Å; L107-K154 HydrophobicContact CD2-CB 3.94Å; L107-K154 HydrophobicContact CD2-CD 3.97Å; L107-L155 HydrophobicContact CD1-CD2 4.4Å; L107-M158 HydrophobicContact CD2-CE 4.44Å; L107-L175 HydrophobicContact CB-CD2 4.42Å; L107-A179 HydrophobicContact CD1-CB 4.17Å | ||
| 108 | K | 48.8 | Very low | 53.5 | Low | 171 Ų | 171 | 124 Ų | 124 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | -92.4 | 98.3 | -177.9 | -171.9 | -178.2 | -179 | -177.9 | 0 | 112 | V106 | V106-K108 PolarHBondContact O-N 2.89Š| ||
| 109 | I | 35.8 | Very low | 51.2 | Low | 146 Ų | 146 | 121.1 Ų | 121.1 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | trans | -169.9 | 146.9 | 140.5 | -93 | 145.3 | 0 | 0 | 0 | 108.1 | L107 | L107-I109 PolarHBondContact O-N 2.83Š| ||
| 110 | M | 29.3 | Very low | 49.7 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 81% | 0.813 | 64% | 0.635 | S | S | * | * | trans | -118.7 | 169.5 | -179.9 | -59.5 | 172.4 | 67 | 0 | 0 | 109.5 | ||||
| 111 | P | 30.2 | Very low | 48.1 | Very low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | cis | -127.3 | 150.5 | -28 | 35.8 | -21.2 | 0 | 0 | 0 | 112.9 | ||||
| 112 | V | 29.4 | Very low | 46.7 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 81% | 0.812 | 62% | 0.62 | S | S | * | * | trans | -145.9 | 145.1 | 169 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 113 | Q | 33.5 | Very low | 45.4 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 63% | 0.629 | S | S | * | * | trans | -97 | 146.5 | 173.5 | -56.6 | 170.7 | -4.2 | 0 | 0 | 111.5 | ||||
| 114 | K | 35.1 | Very low | 44.9 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 78% | 0.778 | 61% | 0.609 | S | S | * | * | trans | -163.7 | 141.8 | 151.2 | -152.1 | 174.7 | 176.3 | 176 | 0 | 114.5 | ||||
| 115 | Q | 41.3 | Very low | 45.1 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 81% | 0.813 | 59% | 0.593 | S | S | * | * | trans | -79.1 | 144.9 | 168.8 | -171 | 102.6 | -31.9 | 0 | 0 | 112.2 | ||||
| 116 | T | 38.9 | Very low | 46.1 | Very low | 69 Ų | 69 | 118.8 Ų | 118.8 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | trans | -146.1 | 165.6 | 166.8 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | T144 | T116-T144 CarbonylContact C-O 2.88Å; T116-T144 WeakPolarHBondContact CB-O 3.44Å; T116-T144 PolarHBondContact OG1-O 2.87Å | ||
| 117 | R | 40.4 | Very low | 47.3 | Very low | 235 Ų | 235 | 116.2 Ų | 116.2 | 89% | 0.887 | 56% | 0.562 | S | S | * | * | trans | -127.5 | 113.8 | -159.1 | -138.1 | -174.2 | -167.4 | -163.2 | 4.1 | 113.8 | G143 T144 | R117-G143 CarbonylContact C-O 3.31Å; R117-T144 PolarHBondContact N-O 3.11Å | ||
| 118 | A | 42.9 | Very low | 48.8 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | trans | 71.6 | 93.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | R142 G143 T144 | A118-R142 CarbonylContact O-C 3.5Å; A118-G143 CarbonylContact C-O 3.5Å; A118-G143 CarbonylContact O-C 3.59Å; A118-G143 WeakPolarHBondContact O-CA 3.47Å; A118-G143 PolarHBondContact O-N 3.28Å; A118-G143 VanDerWaalsContact O-N 3.12Å; A118-T144 VanDerWaalsContact C-CA 3.44Å; A118-T144 PolarHBondContact O-N 2.96Å | ||
| 119 | G | 35.3 | Very low | 50.9 | Low | 0 Ų | 0 | 114.4 Ų | 114.4 | 0% | 0 | 55% | 0.547 | C | S | . | . | trans | 133.9 | 177.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 128.3 | A140 P141 T144 D163 | G119-A140 VanDerWaalsContact C-CB 3.43Å; G119-A140 WeakPolarHBondContact O-CB 3.15Å; G119-P141 VanDerWaalsContact CA-CA 3.45Å; G119-T144 WeakPolarHBondContact CA-OG1 3.41Å; G119-T144 PolarHBondContact N-OG1 3.46Å; G119-T144 WeakPolarHBondContact O-CA 3.21Å; G119-T144 WeakPolarHBondContact O-CB 3.25Å; G119-T144 PolarHBondContact O-N 2.71Å; G119-T144 PolarHBondContact O-OG1 2.87Å; G119-D163 VanDerWaalsContact O-CB 3.23Å; G119-D163 WeakPolarHBondContact O-CB 3.04Å | ||
| 120 | Q | 41 | Very low | 53.6 | Low | 62 Ų | 62 | 108.8 Ų | 108.8 | 29% | 0.29 | 52% | 0.521 | S | S | . | . | cis | -133.1 | 152.6 | 1.5 | -159 | -126.6 | -53 | 0 | 0 | 110.8 | T122 A140 P141 R142 D163 | Q120-T122 PolarHBondContact O-N 2.76Å; Q120-A140 CarbonylContact C-O 2.77Å; Q120-A140 WeakPolarHBondContact CA-O 2.89Å; Q120-A140 PolarHBondContact O-N 2.6Å; Q120-P141 WeakPolarHBondContact CA-O 3.37Å; Q120-R142 HydrophobicContact CB-CB 4.23Å; Q120-R142 HydrophobicContact CB-CG 4.45Å; Q120-R142 HydrophobicContact CG-CB 3.57Å; Q120-R142 HydrophobicContact CG-CG 3.76Å; Q120-D163 WeakPolarHBondContact CA-OD2 3.49Å; Q120-D163 HydrophobicContact CB-CB 4.03Å; Q120-D163 WeakPolarHBondContact CB-OD2 3.48Å; Q120-D163 PolarHBondContact N-OD2 3.37Å | ||
| 121 | R | 39.5 | Very low | 56.5 | Low | 155 Ų | 155 | 103.5 Ų | 103.5 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | trans | -92.6 | 86.1 | -162.9 | -165 | 176.9 | 176.5 | -179.8 | -0.8 | 113.9 | R123 A140 P141 | R121-R123 HydrophobicContact CG-CG 4.45Å; R121-A140 WeakPolarHBondContact CA-O 3.42Å; R121-A140 VanDerWaalsContact CB-O 3.22Å; R121-A140 WeakPolarHBondContact CB-O 3.28Å; R121-A140 PolarHBondContact N-O 3.49Å; R121-P141 PolarHBondContact N-O 3.4Å | ||
| 122 | T | 47.4 | Very low | 59.4 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | trans | -65.3 | 162.7 | 140.2 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | Q120 P139 | Q120-T122 PolarHBondContact O-N 2.76Å; T122-P139 WeakPolarHBondContact O-CB 3.22Å; T122-P139 WeakPolarHBondContact O-CG 3.01Å; T122-P139 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 123 | R | 51.4 | Low | 62.5 | Low | 172 Ų | 172 | 95.9 Ų | 95.9 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | trans | -108.7 | -6.3 | -171.6 | -64.8 | -171.2 | -164.1 | -115.9 | 0.4 | 115.4 | R121 | R121-R123 HydrophobicContact CG-CG 4.45Š| ||
| 124 | F | 61.6 | Low | 65.3 | Low | 86 Ų | 86 | 90 Ų | 90 | 38% | 0.377 | 44% | 0.438 | S | S | . | . | trans | -111.2 | 128.6 | -165.7 | -51.3 | -65.3 | 0 | 0 | 0 | 111.9 | Y192 T194 | F124-Y192 AromaticContact CD1-CD1 3.94Å; F124-Y192 HydrophobicContact CD1-CD1 3.94Å; F124-Y192 AromaticContact CD1-CE1 3.96Å; F124-Y192 HydrophobicContact CD1-CE1 3.96Å; F124-Y192 HydrophobicContact CG-CD1 4.38Å; F124-T194 HydrophobicContact CD1-CG2 4.02Å; F124-T194 HydrophobicContact CD2-CG2 4.14Å; F124-T194 HydrophobicContact CE1-CG2 3.46Å; F124-T194 VanDerWaalsContact CE1-CG2 3.46Å; F124-T194 HydrophobicContact CE2-CG2 3.6Å; F124-T194 HydrophobicContact CG-CG2 4.34Å; F124-T194 HydrophobicContact CZ-CG2 3.23Å | ||
| 125 | K | 76 | Confident | 68 | Low | 127 Ų | 127 | 81.6 Ų | 81.6 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | trans | -92.6 | 110.7 | 174.5 | -62.8 | 177 | -172.8 | 170.6 | 0 | 107.5 | L137 I138 | K125-L137 WeakPolarHBondContact CA-O 3.22Å; K125-I138 HydrophobicContact CD-CG2 4.49Å; K125-I138 HydrophobicContact CG-CG1 4.5Å; K125-I138 HydrophobicContact CG-CG2 4.28Å | ||
| 126 | V | 85.6 | Confident | 70.2 | Confident | 13 Ų | 13 | 78 Ų | 78 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.5 | -179.5 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | R136 L137 A185 T189 | V126-R136 WeakPolarHBondContact O-CA 3.4Å; V126-L137 HydrophobicContact CG2-CB 3.74Å; V126-L137 HydrophobicContact CG2-CD1 3.9Å; V126-L137 HydrophobicContact CG2-CG 4.1Å; V126-L137 PolarHBondContact N-O 2.84Å; V126-L137 PolarHBondContact O-N 3.25Å; V126-A185 HydrophobicContact CG2-CB 4.38Å; V126-A185 VanDerWaalsContact CG2-O 3.28Å; V126-A185 WeakPolarHBondContact CG2-O 3.45Å; V126-T189 HydrophobicContact CG1-CG2 4.28Å; V126-T189 HydrophobicContact CG2-CG2 4.21Å |
| 127 | T | 89.4 | Confident | 72.5 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.6 | 179.8 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | L134 V135 R136 | T127-L134 HydrophobicContact CG2-CD2 4.42Å; T127-V135 CarbonylContact C-O 3.6Å; T127-V135 WeakPolarHBondContact CA-O 3.31Å; T127-R136 HydrophobicContact CG2-CB 3.93Å; T127-R136 HydrophobicContact CG2-CG 3.73Å |
| 128 | G | 92 | Very high | 74.6 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 154.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L134 V135 A181 D184 | G128-L134 WeakPolarHBondContact O-CA 3.28Å; G128-V135 PolarHBondContact N-O 3.19Å; G128-V135 PolarHBondContact O-N 3.2Å; G128-A181 CarbonylContact C-O 3.53Å; G128-A181 WeakPolarHBondContact CA-O 3.44Å; G128-D184 WeakPolarHBondContact CA-OD2 3.13Å |
| 129 | R | 93.3 | Very high | 76.3 | Confident | 174 Ų | 174 | 64.2 Ų | 64.2 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 135 | -176.1 | -174.6 | 179.7 | 177.5 | 177.9 | 0 | 111.3 | G131 V133 D184 | R129-G131 PolarHBondContact NE-O 3.24Å; R129-V133 CarbonylContact C-O 2.98Å; R129-V133 WeakPolarHBondContact CA-O 3.19Å; R129-D184 PolarHBondContact N-OD2 3.44Å |
| 130 | C | 91.4 | Very high | 78.3 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 113.2 | 169.3 | -166.5 | 0 | 0 | 0 | 0 | 109.5 | S132 V133 N177 K180 A181 | C130-S132 PolarHBondContact O-N 3.1Å; C130-V133 PolarHBondContact N-O 2.86Å; C130-V133 PolarHBondContact O-N 3.2Å; C130-N177 HydrophobicContact CB-CB 4.34Å; C130-N177 WeakPolarHBondContact CB-O 3.43Å; C130-K180 HydrophobicContact CB-CB 3.98Å; C130-A181 HydrophobicContact CB-CB 3.84Å |
| 131 | G | 91.6 | Very high | 80 | Confident | 54 Ų | 54 | 65.6 Ų | 65.6 | 56% | 0.557 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -123.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R129 | R129-G131 PolarHBondContact NE-O 3.24Š|
| 132 | S | 91.3 | Very high | 81.6 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.9 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | C130 G170 | C130-S132 PolarHBondContact O-N 3.1Å; S132-G170 WeakPolarHBondContact O-CA 3.18Å |
| 133 | V | 93.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.7 | -177.2 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | R129 C130 V135 R169 C171 T172 N177 F178 A181 | R129-V133 CarbonylContact C-O 2.98Å; R129-V133 WeakPolarHBondContact CA-O 3.19Å; C130-V133 PolarHBondContact N-O 2.86Å; C130-V133 PolarHBondContact O-N 3.2Å; V133-V135 HydrophobicContact CG1-CG2 4.26Å; V133-R169 WeakPolarHBondContact CA-O 3.32Å; V133-C171 WeakPolarHBondContact CG2-O 3.35Å; V133-T172 HydrophobicContact CG1-CG2 4.23Å; V133-N177 HydrophobicContact CG2-CB 4.02Å; V133-F178 HydrophobicContact CG1-CB 4.42Å; V133-F178 HydrophobicContact CG1-CD2 3.9Å; V133-A181 HydrophobicContact CB-CB 4.43Å; V133-A181 HydrophobicContact CG1-CB 4.22Å |
| 134 | L | 91.8 | Very high | 83.8 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.9 | 171.3 | -177.2 | 155.2 | 0 | 0 | 0 | 108.6 | T127 G128 R136 A168 R169 | T127-L134 HydrophobicContact CG2-CD2 4.42Å; G128-L134 WeakPolarHBondContact O-CA 3.28Å; L134-R136 HydrophobicContact CD2-CB 4.37Å; L134-A168 CarbonylContact O-C 3.57Å; L134-A168 VanDerWaalsContact O-CA 3.3Å; L134-A168 WeakPolarHBondContact O-CA 3.2Å; L134-R169 PolarHBondContact N-O 3.23Å; L134-R169 PolarHBondContact O-N 3.36Å |
| 135 | V | 91.7 | Very high | 84.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.9 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | T127 G128 V133 L137 F178 A181 | T127-V135 CarbonylContact C-O 3.6Å; T127-V135 WeakPolarHBondContact CA-O 3.31Å; G128-V135 PolarHBondContact N-O 3.19Å; G128-V135 PolarHBondContact O-N 3.2Å; V133-V135 HydrophobicContact CG1-CG2 4.26Å; V135-L137 HydrophobicContact CG1-CD2 4.16Å; V135-F178 HydrophobicContact CG2-CD2 3.67Å; V135-F178 HydrophobicContact CG2-CE2 3.71Å; V135-A181 HydrophobicContact CB-CB 4.38Å; V135-A181 HydrophobicContact CG2-CB 3.77Å |
| 136 | R | 89.3 | Confident | 84.8 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.1 | 175.4 | -173.8 | 179.7 | -167.7 | -164.1 | 15.8 | 109.2 | V126 T127 L134 I138 T166 S167 | V126-R136 WeakPolarHBondContact O-CA 3.4Å; T127-R136 HydrophobicContact CG2-CB 3.93Å; T127-R136 HydrophobicContact CG2-CG 3.73Å; L134-R136 HydrophobicContact CD2-CB 4.37Å; R136-I138 HydrophobicContact CG-CD1 4.28Å; R136-I138 HydrophobicContact CG-CG1 3.89Å; R136-T166 WeakPolarHBondContact O-CA 3.23Å; R136-S167 PolarHBondContact N-O 2.83Å; R136-S167 PolarHBondContact O-N 2.92Å |
| 137 | L | 86.4 | Confident | 84.8 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.8 | 169.7 | -52.6 | -179.1 | 0 | 0 | 0 | 108.3 | K125 V126 V135 L156 T166 A185 I186 | K125-L137 WeakPolarHBondContact CA-O 3.22Å; V126-L137 HydrophobicContact CG2-CB 3.74Å; V126-L137 HydrophobicContact CG2-CD1 3.9Å; V126-L137 HydrophobicContact CG2-CG 4.1Å; V126-L137 PolarHBondContact N-O 2.84Å; V126-L137 PolarHBondContact O-N 3.25Å; V135-L137 HydrophobicContact CG1-CD2 4.16Å; L137-L156 HydrophobicContact CD1-CD2 3.92Å; L137-L156 HydrophobicContact CD2-CD1 4.09Å; L137-L156 HydrophobicContact CD2-CD2 4.08Å; L137-T166 HydrophobicContact CD2-CG2 3.77Å; L137-A185 HydrophobicContact CD1-CB 3.85Å; L137-A185 HydrophobicContact CG-CB 3.95Å; L137-I186 HydrophobicContact CD1-CG1 4.04Å |
| 138 | I | 84.3 | Confident | 84.6 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.8 | -179.1 | -54.9 | 177.2 | 0 | 0 | 0 | 107.8 | K125 R136 Y165 | K125-I138 HydrophobicContact CD-CG2 4.49Å; K125-I138 HydrophobicContact CG-CG1 4.5Å; K125-I138 HydrophobicContact CG-CG2 4.28Å; R136-I138 HydrophobicContact CG-CD1 4.28Å; R136-I138 HydrophobicContact CG-CG1 3.89Å; I138-Y165 PolarHBondContact N-O 3.04Å; I138-Y165 PolarHBondContact O-N 3.27Å |
| 139 | P | 78.7 | Confident | 84.3 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.143 | 29% | 0.289 | C | S | . | . | trans | -69.9 | 166.4 | 177.9 | 28.6 | -37.1 | 0 | 0 | 0 | 114.5 | T122 | T122-P139 WeakPolarHBondContact O-CB 3.22Å; T122-P139 WeakPolarHBondContact O-CG 3.01Å; T122-P139 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 140 | A | 77.1 | Confident | 84 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | trans | -132.3 | -175.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G119 Q120 R121 T144 Y165 | G119-A140 VanDerWaalsContact C-CB 3.43Å; G119-A140 WeakPolarHBondContact O-CB 3.15Å; Q120-A140 CarbonylContact C-O 2.77Å; Q120-A140 WeakPolarHBondContact CA-O 2.89Å; Q120-A140 PolarHBondContact O-N 2.6Å; R121-A140 WeakPolarHBondContact CA-O 3.42Å; R121-A140 VanDerWaalsContact CB-O 3.22Å; R121-A140 WeakPolarHBondContact CB-O 3.28Å; R121-A140 PolarHBondContact N-O 3.49Å; A140-T144 VanDerWaalsContact CB-OG1 3.26Å; A140-T144 WeakPolarHBondContact CB-OG1 3.44Å; A140-Y165 HydrophobicContact CB-CD2 3.78Å; A140-Y165 HydrophobicContact CB-CE2 3.46Å; A140-Y165 VanDerWaalsContact CB-CE2 3.46Å | ||
| 141 | P | 77.4 | Confident | 83.8 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -64.7 | -88.4 | -177.5 | -24.9 | 37.3 | 0 | 0 | 0 | 125.8 | G119 Q120 R121 | G119-P141 VanDerWaalsContact CA-CA 3.45Å; Q120-P141 WeakPolarHBondContact CA-O 3.37Å; R121-P141 PolarHBondContact N-O 3.4Å |
| 142 | R | 72.3 | Confident | 83.7 | Confident | 190 Ų | 190 | 42.3 Ų | 42.3 | 72% | 0.717 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -149.6 | 103.4 | 150.7 | 175.2 | 138.3 | -121.8 | -177.5 | 5.7 | 118.5 | A118 Q120 | A118-R142 CarbonylContact O-C 3.5Å; Q120-R142 HydrophobicContact CB-CB 4.23Å; Q120-R142 HydrophobicContact CB-CG 4.45Å; Q120-R142 HydrophobicContact CG-CB 3.57Å; Q120-R142 HydrophobicContact CG-CG 3.76Å |
| 143 | G | 72.9 | Confident | 83.6 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 43% | 0.433 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 99.8 | 34 | -166.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | R117 A118 D163 | R117-G143 CarbonylContact C-O 3.31Å; A118-G143 CarbonylContact C-O 3.5Å; A118-G143 CarbonylContact O-C 3.59Å; A118-G143 WeakPolarHBondContact O-CA 3.47Å; A118-G143 PolarHBondContact O-N 3.28Å; A118-G143 VanDerWaalsContact O-N 3.12Å; G143-D163 WeakPolarHBondContact CA-OD2 3.48Å; G143-D163 PolarHBondContact N-OD2 2.91Å |
| 144 | T | 73.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | trans | -73.5 | -33.9 | -174.8 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | T116 R117 A118 G119 A140 V147 D163 Y165 | T116-T144 CarbonylContact C-O 2.88Å; T116-T144 WeakPolarHBondContact CB-O 3.44Å; T116-T144 PolarHBondContact OG1-O 2.87Å; R117-T144 PolarHBondContact N-O 3.11Å; A118-T144 VanDerWaalsContact C-CA 3.44Å; A118-T144 PolarHBondContact O-N 2.96Å; G119-T144 WeakPolarHBondContact CA-OG1 3.41Å; G119-T144 PolarHBondContact N-OG1 3.46Å; G119-T144 WeakPolarHBondContact O-CA 3.21Å; G119-T144 WeakPolarHBondContact O-CB 3.25Å; G119-T144 PolarHBondContact O-N 2.71Å; G119-T144 PolarHBondContact O-OG1 2.87Å; A140-T144 VanDerWaalsContact CB-OG1 3.26Å; A140-T144 WeakPolarHBondContact CB-OG1 3.44Å; T144-V147 HydrophobicContact CG2-CG2 3.72Å; T144-D163 WeakPolarHBondContact CA-OD1 3.03Å; T144-D163 PolarHBondContact N-OD1 3.36Å; T144-Y165 HydrophobicContact CG2-CE1 4.17Å | ||
| 145 | G | 76.3 | Confident | 83.1 | Confident | 23 Ų | 23 | 41 Ų | 41 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | trans | 72.8 | 168.5 | -151.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V147 D162 D163 | G145-V147 PolarHBondContact O-N 3.25Å; G145-D162 CarbonylContact C-O 3.34Å; G145-D162 VanDerWaalsContact C-O 3.31Å; G145-D162 WeakPolarHBondContact CA-O 3.36Å; G145-D163 PolarHBondContact N-OD1 3.05Å | ||
| 146 | I | 82.6 | Confident | 82.8 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.9 | 179.4 | -56.6 | 151.7 | 0 | 0 | 0 | 110.9 | S148 K153 L156 M157 I161 D162 | I146-S148 PolarHBondContact O-N 3.05Å; I146-K153 HydrophobicContact CB-CG 4.09Å; I146-K153 HydrophobicContact CD1-CG 4.44Å; I146-K153 HydrophobicContact CG2-CB 4.37Å; I146-K153 HydrophobicContact CG2-CG 3.96Å; I146-K153 WeakPolarHBondContact O-CE 3.36Å; I146-K153 PolarHBondContact O-NZ 3.04Å; I146-L156 HydrophobicContact CD1-CB 3.8Å; I146-L156 HydrophobicContact CG1-CB 4.16Å; I146-L156 HydrophobicContact CG2-CB 4.14Å; I146-L156 HydrophobicContact CG2-CD1 3.55Å; I146-L156 HydrophobicContact CG2-CG 4.49Å; I146-M157 HydrophobicContact CD1-CB 4.33Å; I146-M157 HydrophobicContact CD1-CE 4.36Å; I146-M157 HydrophobicContact CD1-CG 3.43Å; I146-M157 VanDerWaalsContact CD1-CG 3.43Å; I146-I161 WeakPolarHBondContact CD1-O 3.26Å; I146-I161 VanDerWaalsContact CG1-O 3.31Å; I146-I161 WeakPolarHBondContact CG1-O 3.39Å; I146-D162 PolarHBondContact N-O 3.33Å |
| 147 | V | 84.3 | Confident | 82.7 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 90.6 | 172 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | T144 G145 C164 Y165 T166 | T144-V147 HydrophobicContact CG2-CG2 3.72Å; G145-V147 PolarHBondContact O-N 3.25Å; V147-C164 PolarHBondContact N-O 3.36Å; V147-Y165 HydrophobicContact CB-CD1 3.88Å; V147-Y165 HydrophobicContact CB-CE1 4.42Å; V147-Y165 HydrophobicContact CG1-CD1 4.3Å; V147-Y165 HydrophobicContact CG2-CD1 3.9Å; V147-Y165 HydrophobicContact CG2-CE1 3.95Å; V147-T166 PolarHBondContact O-N 2.74Å; V147-T166 PolarHBondContact O-OG1 2.8Å |
| 148 | S | 85.1 | Confident | 82.5 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -152.6 | 155.6 | -176.1 | 179.1 | 0 | 0 | 0 | 0 | 113.2 | I146 P152 K153 T166 | I146-S148 PolarHBondContact O-N 3.05Å; S148-P152 VanDerWaalsContact OG-CB 3.25Å; S148-P152 WeakPolarHBondContact OG-CB 3.39Å; S148-P152 WeakPolarHBondContact OG-CG 3.31Å; S148-K153 PolarHBondContact OG-N 3.34Å; S148-T166 VanDerWaalsContact CA-OG1 3.24Å; S148-T166 WeakPolarHBondContact CA-OG1 2.85Å; S148-T166 WeakPolarHBondContact CB-OG1 3.33Å; S148-T166 PolarHBondContact OG-OG1 3.11Å |
| 149 | A | 86.4 | Confident | 82.3 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | trans | -53.3 | 152.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111 | V151 P152 K153 F178 | A149-V151 VanDerWaalsContact C-N 3.31Å; A149-V151 PolarHBondContact O-N 3.23Å; A149-P152 WeakPolarHBondContact O-CD 3.5Å; A149-K153 WeakPolarHBondContact O-CB 3.49Å; A149-K153 PolarHBondContact O-N 2.88Å; A149-F178 HydrophobicContact CB-CE1 3.77Å; A149-F178 HydrophobicContact CB-CZ 3.83Å | ||
| 150 | P | 87.3 | Confident | 82.4 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -32.3 | -167.5 | 20.8 | -33.6 | 0 | 0 | 0 | 114.6 | K153 K154 | P150-K153 PolarHBondContact O-N 2.82Å; P150-K154 WeakPolarHBondContact O-CG 3.26Å; P150-K154 PolarHBondContact O-N 2.86Å; P150-K154 VanDerWaalsContact O-N 3.12Å |
| 151 | V | 87.8 | Confident | 82.5 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.7 | -57.8 | -178.1 | 173.1 | 0 | 0 | 0 | 0 | 112 | A149 K153 K154 L155 L175 F178 A179 | A149-V151 VanDerWaalsContact C-N 3.31Å; A149-V151 PolarHBondContact O-N 3.23Å; V151-K153 PolarHBondContact O-N 3.09Å; V151-K154 PolarHBondContact O-N 2.77Å; V151-L155 PolarHBondContact O-N 2.77Å; V151-L175 HydrophobicContact CG1-CG 4.39Å; V151-L175 HydrophobicContact CG2-CD1 4.14Å; V151-L175 HydrophobicContact CG2-CG 4.02Å; V151-F178 HydrophobicContact CB-CD1 4.18Å; V151-F178 HydrophobicContact CB-CE1 4.42Å; V151-F178 HydrophobicContact CG1-CD1 4.42Å; V151-A179 HydrophobicContact CG1-CB 3.92Å |
| 152 | P | 89 | Confident | 82.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.5 | -27.8 | 171.1 | -7.4 | 10 | 0 | 0 | 0 | 113.2 | S148 A149 K154 L155 L156 F178 T182 | S148-P152 VanDerWaalsContact OG-CB 3.25Å; S148-P152 WeakPolarHBondContact OG-CB 3.39Å; S148-P152 WeakPolarHBondContact OG-CG 3.31Å; A149-P152 WeakPolarHBondContact O-CD 3.5Å; P152-K154 PolarHBondContact O-N 2.67Å; P152-L155 PolarHBondContact O-N 3.48Å; P152-L156 WeakPolarHBondContact O-CB 3.32Å; P152-L156 VanDerWaalsContact O-CG 3.24Å; P152-L156 WeakPolarHBondContact O-CG 3.05Å; P152-L156 PolarHBondContact O-N 2.87Å; P152-F178 VanDerWaalsContact CD-CE1 3.4Å; P152-F178 HydrophobicContact CG-CD1 4.4Å; P152-F178 HydrophobicContact CG-CD2 4.31Å; P152-F178 HydrophobicContact CG-CE1 3.73Å; P152-F178 HydrophobicContact CG-CE2 3.62Å; P152-F178 HydrophobicContact CG-CZ 3.3Å; P152-T182 HydrophobicContact CB-CG2 3.67Å; P152-T182 WeakPolarHBondContact CB-OG1 3.38Å |
| 153 | K | 88.2 | Confident | 82.8 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 178.7 | -167.4 | 168 | -172.4 | 164.5 | 0 | 111.8 | I146 S148 A149 P150 V151 L156 M157 | I146-K153 HydrophobicContact CB-CG 4.09Å; I146-K153 HydrophobicContact CD1-CG 4.44Å; I146-K153 HydrophobicContact CG2-CB 4.37Å; I146-K153 HydrophobicContact CG2-CG 3.96Å; I146-K153 WeakPolarHBondContact O-CE 3.36Å; I146-K153 PolarHBondContact O-NZ 3.04Å; S148-K153 PolarHBondContact OG-N 3.34Å; A149-K153 WeakPolarHBondContact O-CB 3.49Å; A149-K153 PolarHBondContact O-N 2.88Å; P150-K153 PolarHBondContact O-N 2.82Å; V151-K153 PolarHBondContact O-N 3.09Å; K153-L156 PolarHBondContact O-N 3.26Å; K153-M157 HydrophobicContact CD-CE 4.22Å; K153-M157 HydrophobicContact CG-CE 3.89Å; K153-M157 VanDerWaalsContact O-CG 3.31Å; K153-M157 WeakPolarHBondContact O-CG 3.3Å; K153-M157 PolarHBondContact O-N 3.37Å |
| 154 | K | 88.5 | Confident | 83.2 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.4 | -67.4 | 178.2 | 176.3 | -146.2 | 0 | 112 | E105 L107 P150 V151 P152 L156 M157 M158 | E105-K154 HydrophobicContact CG-CD 4.42Å; E105-K154 WeakPolarHBondContact OE1-CD 3.41Å; E105-K154 WeakPolarHBondContact OE1-CE 3.35Å; E105-K154 IonicContact OE1-NZ 2.64Å; E105-K154 PolarHBondContact OE1-NZ 3.35Å; E105-K154 VanDerWaalsContact OE2-CD 3.3Å; E105-K154 WeakPolarHBondContact OE2-CD 3.48Å; E105-K154 VanDerWaalsContact OE2-CG 3.27Å; E105-K154 WeakPolarHBondContact OE2-CG 3.35Å; L107-K154 HydrophobicContact CD2-CB 3.94Å; L107-K154 HydrophobicContact CD2-CD 3.97Å; P150-K154 WeakPolarHBondContact O-CG 3.26Å; P150-K154 PolarHBondContact O-N 2.86Å; P150-K154 VanDerWaalsContact O-N 3.12Å; V151-K154 PolarHBondContact O-N 2.77Å; P152-K154 PolarHBondContact O-N 2.67Å; K154-L156 VanDerWaalsContact C-N 3.34Å; K154-L156 PolarHBondContact O-N 3.1Å; K154-M157 PolarHBondContact O-N 3.12Å; K154-M158 HydrophobicContact CB-CE 4.42Å; K154-M158 WeakPolarHBondContact O-CG 3.37Å; K154-M158 PolarHBondContact O-N 2.61Å |
| 155 | L | 87 | Confident | 83.8 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 178.3 | -66.5 | 172.2 | 0 | 0 | 0 | 112.6 | L107 V151 P152 M158 A159 A179 T182 | L107-L155 HydrophobicContact CD1-CD2 4.4Å; V151-L155 PolarHBondContact O-N 2.77Å; P152-L155 PolarHBondContact O-N 3.48Å; L155-M158 HydrophobicContact CD2-CE 3.9Å; L155-M158 PolarHBondContact O-N 2.94Å; L155-A159 WeakPolarHBondContact O-CB 3.15Å; L155-A159 PolarHBondContact O-N 2.75Å; L155-A179 HydrophobicContact CD1-CB 4.05Å; L155-T182 HydrophobicContact CB-CG2 4.13Å; L155-T182 HydrophobicContact CD1-CG2 3.9Å |
| 156 | L | 85.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.7 | -36.3 | 177.5 | -67.7 | 168.5 | 0 | 0 | 0 | 112.1 | L137 I146 P152 K153 K154 A159 G160 I161 C164 T166 I186 | L137-L156 HydrophobicContact CD1-CD2 3.92Å; L137-L156 HydrophobicContact CD2-CD1 4.09Å; L137-L156 HydrophobicContact CD2-CD2 4.08Å; I146-L156 HydrophobicContact CD1-CB 3.8Å; I146-L156 HydrophobicContact CG1-CB 4.16Å; I146-L156 HydrophobicContact CG2-CB 4.14Å; I146-L156 HydrophobicContact CG2-CD1 3.55Å; I146-L156 HydrophobicContact CG2-CG 4.49Å; P152-L156 WeakPolarHBondContact O-CB 3.32Å; P152-L156 VanDerWaalsContact O-CG 3.24Å; P152-L156 WeakPolarHBondContact O-CG 3.05Å; P152-L156 PolarHBondContact O-N 2.87Å; K153-L156 PolarHBondContact O-N 3.26Å; K154-L156 VanDerWaalsContact C-N 3.34Å; K154-L156 PolarHBondContact O-N 3.1Å; L156-A159 PolarHBondContact O-N 3.19Å; L156-G160 PolarHBondContact O-N 2.69Å; L156-I161 HydrophobicContact CB-CB 4.42Å; L156-I161 HydrophobicContact CD2-CB 4.39Å; L156-I161 HydrophobicContact CD2-CD1 3.62Å; L156-I161 HydrophobicContact CD2-CG2 4.46Å; L156-I161 PolarHBondContact O-N 3.15Å; L156-C164 HydrophobicContact CD1-CB 4.38Å; L156-T166 HydrophobicContact CD1-CG2 3.69Å; L156-I186 HydrophobicContact CD2-CD1 4.1Å; L156-I186 HydrophobicContact CD2-CG1 4.35Å |
| 157 | M | 85.9 | Confident | 84.7 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 171.4 | -72.2 | 173.2 | 174.4 | 0 | 0 | 112 | I146 K153 K154 A159 G160 | I146-M157 HydrophobicContact CD1-CB 4.33Å; I146-M157 HydrophobicContact CD1-CE 4.36Å; I146-M157 HydrophobicContact CD1-CG 3.43Å; I146-M157 VanDerWaalsContact CD1-CG 3.43Å; K153-M157 HydrophobicContact CD-CE 4.22Å; K153-M157 HydrophobicContact CG-CE 3.89Å; K153-M157 VanDerWaalsContact O-CG 3.31Å; K153-M157 WeakPolarHBondContact O-CG 3.3Å; K153-M157 PolarHBondContact O-N 3.37Å; K154-M157 PolarHBondContact O-N 3.12Å; M157-A159 VanDerWaalsContact C-N 3.26Å; M157-A159 PolarHBondContact O-N 3.03Å; M157-G160 PolarHBondContact O-N 2.92Å |
| 158 | M | 82.9 | Confident | 85 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -30 | 177.3 | -70.9 | -175.7 | -69.7 | 0 | 0 | 112.4 | E105 L107 K154 L155 G160 | E105-M158 HydrophobicContact CB-SD 4.25Å; L107-M158 HydrophobicContact CD2-CE 4.44Å; K154-M158 HydrophobicContact CB-CE 4.42Å; K154-M158 WeakPolarHBondContact O-CG 3.37Å; K154-M158 PolarHBondContact O-N 2.61Å; L155-M158 HydrophobicContact CD2-CE 3.9Å; L155-M158 PolarHBondContact O-N 2.94Å; M158-G160 PolarHBondContact O-N 2.51Å |
| 159 | A | 79.9 | Confident | 85.2 | Confident | 50 Ų | 50 | 55 Ų | 55 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 1.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L155 L156 M157 I161 I186 | L155-A159 WeakPolarHBondContact O-CB 3.15Å; L155-A159 PolarHBondContact O-N 2.75Å; L156-A159 PolarHBondContact O-N 3.19Å; M157-A159 VanDerWaalsContact C-N 3.26Å; M157-A159 PolarHBondContact O-N 3.03Å; A159-I161 HydrophobicContact CB-CD1 4.04Å; A159-I161 HydrophobicContact CB-CG1 4.22Å; A159-I161 PolarHBondContact O-N 3.35Å; A159-I186 HydrophobicContact CB-CD1 4.22Å |
| 160 | G | 80.9 | Confident | 85.4 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 62% | 0.619 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 20.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L156 M157 M158 D162 | L156-G160 PolarHBondContact O-N 2.69Å; M157-G160 PolarHBondContact O-N 2.92Å; M158-G160 PolarHBondContact O-N 2.51Å; G160-D162 PolarHBondContact O-N 2.81Å |
| 161 | I | 79.8 | Confident | 85.5 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | trans | -88.1 | 99.9 | 178.1 | -62.9 | 166.9 | 0 | 0 | 0 | 108 | I146 L156 A159 D163 C164 | I146-I161 WeakPolarHBondContact CD1-O 3.26Å; I146-I161 VanDerWaalsContact CG1-O 3.31Å; I146-I161 WeakPolarHBondContact CG1-O 3.39Å; L156-I161 HydrophobicContact CB-CB 4.42Å; L156-I161 HydrophobicContact CD2-CB 4.39Å; L156-I161 HydrophobicContact CD2-CD1 3.62Å; L156-I161 HydrophobicContact CD2-CG2 4.46Å; L156-I161 PolarHBondContact O-N 3.15Å; A159-I161 HydrophobicContact CB-CD1 4.04Å; A159-I161 HydrophobicContact CB-CG1 4.22Å; A159-I161 PolarHBondContact O-N 3.35Å; I161-D163 PolarHBondContact O-N 2.96Å; I161-D163 VanDerWaalsContact O-N 3.15Å; I161-C164 HydrophobicContact CG2-CB 3.97Å | ||
| 162 | D | 75.6 | Confident | 85.5 | Confident | 114 Ų | 114 | 57.3 Ų | 57.3 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | trans | -55.3 | -33.5 | 177.2 | -61.9 | -45.5 | 0 | 0 | 0 | 112.4 | G145 I146 G160 | G145-D162 CarbonylContact C-O 3.34Å; G145-D162 VanDerWaalsContact C-O 3.31Å; G145-D162 WeakPolarHBondContact CA-O 3.36Å; I146-D162 PolarHBondContact N-O 3.33Å; G160-D162 PolarHBondContact O-N 2.81Å | ||
| 163 | D | 79.8 | Confident | 85.3 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 9% | 0.086 | 36% | 0.364 | C | S | . | . | trans | -152.9 | 97.5 | -139.8 | -92.6 | -16.6 | 0 | 0 | 0 | 112.7 | G119 Q120 G143 T144 G145 I161 | G119-D163 VanDerWaalsContact O-CB 3.23Å; G119-D163 WeakPolarHBondContact O-CB 3.04Å; Q120-D163 WeakPolarHBondContact CA-OD2 3.49Å; Q120-D163 HydrophobicContact CB-CB 4.03Å; Q120-D163 WeakPolarHBondContact CB-OD2 3.48Å; Q120-D163 PolarHBondContact N-OD2 3.37Å; G143-D163 WeakPolarHBondContact CA-OD2 3.48Å; G143-D163 PolarHBondContact N-OD2 2.91Å; T144-D163 WeakPolarHBondContact CA-OD1 3.03Å; T144-D163 PolarHBondContact N-OD1 3.36Å; G145-D163 PolarHBondContact N-OD1 3.05Å; I161-D163 PolarHBondContact O-N 2.96Å; I161-D163 VanDerWaalsContact O-N 3.15Å | ||
| 164 | C | 82.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.034 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 135.8 | -174.1 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | V147 L156 I161 | V147-C164 PolarHBondContact N-O 3.36Å; L156-C164 HydrophobicContact CD1-CB 4.38Å; I161-C164 HydrophobicContact CG2-CB 3.97Å |
| 165 | Y | 85.4 | Confident | 85.2 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 38% | 0.384 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.6 | 160.6 | -64.9 | -62.9 | 0 | 0 | 0 | 109.7 | I138 A140 T144 V147 | I138-Y165 PolarHBondContact N-O 3.04Å; I138-Y165 PolarHBondContact O-N 3.27Å; A140-Y165 HydrophobicContact CB-CD2 3.78Å; A140-Y165 HydrophobicContact CB-CE2 3.46Å; A140-Y165 VanDerWaalsContact CB-CE2 3.46Å; T144-Y165 HydrophobicContact CG2-CE1 4.17Å; V147-Y165 HydrophobicContact CB-CD1 3.88Å; V147-Y165 HydrophobicContact CB-CE1 4.42Å; V147-Y165 HydrophobicContact CG1-CD1 4.3Å; V147-Y165 HydrophobicContact CG2-CD1 3.9Å; V147-Y165 HydrophobicContact CG2-CE1 3.95Å |
| 166 | T | 89.3 | Confident | 85.3 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.9 | 174.2 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | R136 L137 V147 S148 L156 | R136-T166 WeakPolarHBondContact O-CA 3.23Å; L137-T166 HydrophobicContact CD2-CG2 3.77Å; V147-T166 PolarHBondContact O-N 2.74Å; V147-T166 PolarHBondContact O-OG1 2.8Å; S148-T166 VanDerWaalsContact CA-OG1 3.24Å; S148-T166 WeakPolarHBondContact CA-OG1 2.85Å; S148-T166 WeakPolarHBondContact CB-OG1 3.33Å; S148-T166 PolarHBondContact OG-OG1 3.11Å; L156-T166 HydrophobicContact CD1-CG2 3.69Å |
| 167 | S | 87.7 | Confident | 85.6 | Confident | 53 Ų | 53 | 67 Ų | 67 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 123.9 | 169.1 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | R136 | R136-S167 PolarHBondContact N-O 2.83Å; R136-S167 PolarHBondContact O-N 2.92Å |
| 168 | A | 90.4 | Very high | 85.9 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L134 T172 F178 | L134-A168 CarbonylContact O-C 3.57Å; L134-A168 VanDerWaalsContact O-CA 3.3Å; L134-A168 WeakPolarHBondContact O-CA 3.2Å; A168-T172 HydrophobicContact CB-CG2 3.62Å; A168-F178 HydrophobicContact CB-CE2 3.71Å; A168-F178 HydrophobicContact CB-CZ 4.23Å |
| 169 | R | 89.9 | Confident | 86.3 | Confident | 191 Ų | 191 | 58.7 Ų | 58.7 | 72% | 0.721 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.6 | 172.6 | -67.6 | -173.6 | 177 | -172.4 | -2.2 | 109.6 | V133 L134 | V133-R169 WeakPolarHBondContact CA-O 3.32Å; L134-R169 PolarHBondContact N-O 3.23Å; L134-R169 PolarHBondContact O-N 3.36Å |
| 170 | G | 91.6 | Very high | 86.9 | Confident | 51 Ų | 51 | 63 Ų | 63 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 91.4 | -166.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S132 T172 | S132-G170 WeakPolarHBondContact O-CA 3.18Å; G170-T172 VanDerWaalsContact C-N 3.34Å; G170-T172 PolarHBondContact O-N 2.89Å |
| 171 | C | 89.1 | Confident | 87.5 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 43% | 0.432 | 35% | 0.349 | S | S | . | . | trans | -80.3 | 73.6 | -171.6 | -169.2 | 0 | 0 | 0 | 0 | 113.1 | V133 A173 T174 | V133-C171 WeakPolarHBondContact CG2-O 3.35Å; C171-A173 PolarHBondContact O-N 2.87Å; C171-A173 VanDerWaalsContact O-N 3.15Å; C171-T174 PolarHBondContact O-N 3.11Å; C171-T174 VanDerWaalsContact O-N 3.12Å; C171-T174 PolarHBondContact O-OG1 2.8Å | ||
| 172 | T | 87.6 | Confident | 88 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.8 | -179.7 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | V133 A168 G170 T174 F178 | V133-T172 HydrophobicContact CG1-CG2 4.23Å; A168-T172 HydrophobicContact CB-CG2 3.62Å; G170-T172 VanDerWaalsContact C-N 3.34Å; G170-T172 PolarHBondContact O-N 2.89Å; T172-T174 PolarHBondContact O-N 3.02Å; T172-F178 HydrophobicContact CG2-CD2 4.02Å; T172-F178 HydrophobicContact CG2-CE2 3.88Å; T172-F178 HydrophobicContact CG2-CG 4.45Å; T172-F178 HydrophobicContact CG2-CZ 4.17Å |
| 173 | A | 84.9 | Confident | 88.7 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 76% | 0.76 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C171 L175 | C171-A173 PolarHBondContact O-N 2.87Å; C171-A173 VanDerWaalsContact O-N 3.15Å; A173-L175 PolarHBondContact O-N 2.91Å |
| 174 | T | 87.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | trans | -79.6 | 87.3 | 175.6 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | C171 T172 G176 N177 F178 | C171-T174 PolarHBondContact O-N 3.11Å; C171-T174 VanDerWaalsContact O-N 3.12Å; C171-T174 PolarHBondContact O-OG1 2.8Å; T172-T174 PolarHBondContact O-N 3.02Å; T174-G176 VanDerWaalsContact C-N 3.28Å; T174-G176 PolarHBondContact O-N 3.11Å; T174-G176 VanDerWaalsContact O-N 3.14Å; T174-N177 PolarHBondContact O-N 3.47Å; T174-N177 PolarHBondContact OG1-ND2 3.29Å; T174-N177 VanDerWaalsContact OG1-ND2 3.12Å; T174-F178 PolarHBondContact O-N 3.42Å | ||
| 175 | L | 86.4 | Confident | 89.6 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 37% | 0.366 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -46.2 | -47.6 | -175.6 | -172.6 | 159.4 | 0 | 0 | 0 | 113.2 | L107 V151 A173 N177 F178 A179 | L107-L175 HydrophobicContact CB-CD2 4.42Å; V151-L175 HydrophobicContact CG1-CG 4.39Å; V151-L175 HydrophobicContact CG2-CD1 4.14Å; V151-L175 HydrophobicContact CG2-CG 4.02Å; A173-L175 PolarHBondContact O-N 2.91Å; L175-N177 PolarHBondContact O-N 3.44Å; L175-F178 PolarHBondContact O-N 3.14Å; L175-A179 WeakPolarHBondContact O-CB 3.31Å; L175-A179 PolarHBondContact O-N 2.97Å |
| 176 | G | 88.7 | Confident | 89.7 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -44 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T174 K180 | T174-G176 VanDerWaalsContact C-N 3.28Å; T174-G176 PolarHBondContact O-N 3.11Å; T174-G176 VanDerWaalsContact O-N 3.14Å; G176-K180 WeakPolarHBondContact O-CB 3.41Å; G176-K180 VanDerWaalsContact O-CG 3.29Å; G176-K180 WeakPolarHBondContact O-CG 3.5Å; G176-K180 PolarHBondContact O-N 3.07Å |
| 177 | N | 92.3 | Very high | 89.6 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.9 | -38.5 | 176.8 | -61.9 | -29.8 | 0 | 0 | 0 | 111 | C130 V133 T174 L175 K180 A181 | C130-N177 HydrophobicContact CB-CB 4.34Å; C130-N177 WeakPolarHBondContact CB-O 3.43Å; V133-N177 HydrophobicContact CG2-CB 4.02Å; T174-N177 PolarHBondContact O-N 3.47Å; T174-N177 PolarHBondContact OG1-ND2 3.29Å; T174-N177 VanDerWaalsContact OG1-ND2 3.12Å; L175-N177 PolarHBondContact O-N 3.44Å; N177-K180 PolarHBondContact O-N 3.09Å; N177-A181 VanDerWaalsContact O-CB 3.23Å; N177-A181 WeakPolarHBondContact O-CB 3.24Å; N177-A181 PolarHBondContact O-N 2.9Å |
| 178 | F | 91 | Very high | 89.5 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.7 | -40.6 | -179.6 | -171.7 | -149.6 | 0 | 0 | 0 | 112.4 | V133 V135 A149 V151 P152 A168 T172 T174 L175 T182 | V133-F178 HydrophobicContact CG1-CB 4.42Å; V133-F178 HydrophobicContact CG1-CD2 3.9Å; V135-F178 HydrophobicContact CG2-CD2 3.67Å; V135-F178 HydrophobicContact CG2-CE2 3.71Å; A149-F178 HydrophobicContact CB-CE1 3.77Å; A149-F178 HydrophobicContact CB-CZ 3.83Å; V151-F178 HydrophobicContact CB-CD1 4.18Å; V151-F178 HydrophobicContact CB-CE1 4.42Å; V151-F178 HydrophobicContact CG1-CD1 4.42Å; P152-F178 VanDerWaalsContact CD-CE1 3.4Å; P152-F178 HydrophobicContact CG-CD1 4.4Å; P152-F178 HydrophobicContact CG-CD2 4.31Å; P152-F178 HydrophobicContact CG-CE1 3.73Å; P152-F178 HydrophobicContact CG-CE2 3.62Å; P152-F178 HydrophobicContact CG-CZ 3.3Å; A168-F178 HydrophobicContact CB-CE2 3.71Å; A168-F178 HydrophobicContact CB-CZ 4.23Å; T172-F178 HydrophobicContact CG2-CD2 4.02Å; T172-F178 HydrophobicContact CG2-CE2 3.88Å; T172-F178 HydrophobicContact CG2-CG 4.45Å; T172-F178 HydrophobicContact CG2-CZ 4.17Å; T174-F178 PolarHBondContact O-N 3.42Å; L175-F178 PolarHBondContact O-N 3.14Å; F178-T182 PolarHBondContact O-N 2.89Å; F178-T182 VanDerWaalsContact O-N 3.11Å; F178-T182 PolarHBondContact O-OG1 3.41Å |
| 179 | A | 91.8 | Very high | 89 | Confident | 13 Ų | 13 | 60 Ų | 60 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L107 V151 L155 L175 A181 T182 F183 | L107-A179 HydrophobicContact CD1-CB 4.17Å; V151-A179 HydrophobicContact CG1-CB 3.92Å; L155-A179 HydrophobicContact CD1-CB 4.05Å; L175-A179 WeakPolarHBondContact O-CB 3.31Å; L175-A179 PolarHBondContact O-N 2.97Å; A179-A181 PolarHBondContact O-N 2.88Å; A179-T182 WeakPolarHBondContact O-CB 3.42Å; A179-T182 PolarHBondContact O-N 2.89Å; A179-T182 VanDerWaalsContact O-N 3.14Å; A179-F183 PolarHBondContact O-N 3.05Å |
| 180 | K | 91.8 | Very high | 88.5 | Confident | 140 Ų | 140 | 61.5 Ų | 61.5 | 61% | 0.609 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | 177.7 | -76.5 | -178.8 | 176.5 | -172.5 | 0 | 113.2 | C130 G176 N177 T182 F183 D184 | C130-K180 HydrophobicContact CB-CB 3.98Å; G176-K180 WeakPolarHBondContact O-CB 3.41Å; G176-K180 VanDerWaalsContact O-CG 3.29Å; G176-K180 WeakPolarHBondContact O-CG 3.5Å; G176-K180 PolarHBondContact O-N 3.07Å; N177-K180 PolarHBondContact O-N 3.09Å; K180-T182 VanDerWaalsContact C-N 3.27Å; K180-T182 PolarHBondContact O-N 3.45Å; K180-F183 PolarHBondContact O-N 3Å; K180-D184 VanDerWaalsContact O-CB 3.3Å; K180-D184 WeakPolarHBondContact O-CB 3.18Å; K180-D184 PolarHBondContact O-N 3.31Å |
| 181 | A | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -31 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G128 C130 V133 V135 N177 A179 A185 | G128-A181 CarbonylContact C-O 3.53Å; G128-A181 WeakPolarHBondContact CA-O 3.44Å; C130-A181 HydrophobicContact CB-CB 3.84Å; V133-A181 HydrophobicContact CB-CB 4.43Å; V133-A181 HydrophobicContact CG1-CB 4.22Å; V135-A181 HydrophobicContact CB-CB 4.38Å; V135-A181 HydrophobicContact CG2-CB 3.77Å; N177-A181 VanDerWaalsContact O-CB 3.23Å; N177-A181 WeakPolarHBondContact O-CB 3.24Å; N177-A181 PolarHBondContact O-N 2.9Å; A179-A181 PolarHBondContact O-N 2.88Å; A181-A185 PolarHBondContact O-N 3.43Å |
| 182 | T | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.2 | -46.8 | 172.2 | -53.6 | 0 | 0 | 0 | 0 | 111 | P152 L155 F178 A179 K180 D184 A185 I186 | P152-T182 HydrophobicContact CB-CG2 3.67Å; P152-T182 WeakPolarHBondContact CB-OG1 3.38Å; L155-T182 HydrophobicContact CB-CG2 4.13Å; L155-T182 HydrophobicContact CD1-CG2 3.9Å; F178-T182 PolarHBondContact O-N 2.89Å; F178-T182 VanDerWaalsContact O-N 3.11Å; F178-T182 PolarHBondContact O-OG1 3.41Å; A179-T182 WeakPolarHBondContact O-CB 3.42Å; A179-T182 PolarHBondContact O-N 2.89Å; A179-T182 VanDerWaalsContact O-N 3.14Å; K180-T182 VanDerWaalsContact C-N 3.27Å; K180-T182 PolarHBondContact O-N 3.45Å; T182-D184 VanDerWaalsContact C-N 3.34Å; T182-D184 PolarHBondContact O-N 2.81Å; T182-A185 WeakPolarHBondContact O-CA 3.4Å; T182-A185 VanDerWaalsContact O-CB 3.31Å; T182-A185 WeakPolarHBondContact O-CB 3.23Å; T182-A185 PolarHBondContact O-N 3.38Å; T182-I186 HydrophobicContact CG2-CD1 4.3Å; T182-I186 WeakPolarHBondContact O-CG1 3.43Å; T182-I186 PolarHBondContact O-N 3.35Å; T182-I186 VanDerWaalsContact O-N 3.11Å |
| 183 | F | 90.8 | Very high | 86.8 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 61% | 0.614 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 178.1 | -175 | -95.4 | 0 | 0 | 0 | 112.1 | A179 K180 A185 I186 S187 | A179-F183 PolarHBondContact O-N 3.05Å; K180-F183 PolarHBondContact O-N 3Å; F183-A185 VanDerWaalsContact C-N 3.25Å; F183-A185 PolarHBondContact O-N 2.9Å; F183-I186 PolarHBondContact O-N 3.32Å; F183-S187 PolarHBondContact O-N 2.94Å; F183-S187 PolarHBondContact O-OG 3.49Å |
| 184 | D | 92 | Very high | 86.2 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -26.8 | 173 | 176.8 | 62 | 0 | 0 | 0 | 113.2 | G128 R129 K180 T182 S187 K188 | G128-D184 WeakPolarHBondContact CA-OD2 3.13Å; R129-D184 PolarHBondContact N-OD2 3.44Å; K180-D184 VanDerWaalsContact O-CB 3.3Å; K180-D184 WeakPolarHBondContact O-CB 3.18Å; K180-D184 PolarHBondContact O-N 3.31Å; T182-D184 VanDerWaalsContact C-N 3.34Å; T182-D184 PolarHBondContact O-N 2.81Å; D184-S187 WeakPolarHBondContact CA-OG 3.36Å; D184-S187 PolarHBondContact O-OG 2.6Å; D184-K188 VanDerWaalsContact O-CD 3.26Å; D184-K188 WeakPolarHBondContact O-CD 3.4Å; D184-K188 VanDerWaalsContact O-CG 3.25Å; D184-K188 WeakPolarHBondContact O-CG 3.29Å; D184-K188 WeakPolarHBondContact OD1-CE 3.4Å; D184-K188 IonicContact OD1-NZ 2.87Å; D184-K188 PolarHBondContact OD1-NZ 3.4Å; D184-K188 IonicContact OD2-NZ 2.71Å; D184-K188 PolarHBondContact OD2-NZ 3.27Å |
| 185 | A | 88.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.6 | -35.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V126 L137 A181 T182 F183 | V126-A185 HydrophobicContact CG2-CB 4.38Å; V126-A185 VanDerWaalsContact CG2-O 3.28Å; V126-A185 WeakPolarHBondContact CG2-O 3.45Å; L137-A185 HydrophobicContact CD1-CB 3.85Å; L137-A185 HydrophobicContact CG-CB 3.95Å; A181-A185 PolarHBondContact O-N 3.43Å; T182-A185 WeakPolarHBondContact O-CA 3.4Å; T182-A185 VanDerWaalsContact O-CB 3.31Å; T182-A185 WeakPolarHBondContact O-CB 3.23Å; T182-A185 PolarHBondContact O-N 3.38Å; F183-A185 VanDerWaalsContact C-N 3.25Å; F183-A185 PolarHBondContact O-N 2.9Å |
| 186 | I | 86.6 | Confident | 85.2 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.6 | -43.6 | 179 | -62.8 | 168 | 0 | 0 | 0 | 110.9 | L137 L156 A159 T182 F183 K188 T189 | L137-I186 HydrophobicContact CD1-CG1 4.04Å; L156-I186 HydrophobicContact CD2-CD1 4.1Å; L156-I186 HydrophobicContact CD2-CG1 4.35Å; A159-I186 HydrophobicContact CB-CD1 4.22Å; T182-I186 HydrophobicContact CG2-CD1 4.3Å; T182-I186 WeakPolarHBondContact O-CG1 3.43Å; T182-I186 PolarHBondContact O-N 3.35Å; T182-I186 VanDerWaalsContact O-N 3.11Å; F183-I186 PolarHBondContact O-N 3.32Å; I186-K188 PolarHBondContact O-N 3.34Å; I186-T189 WeakPolarHBondContact O-CG2 3.2Å; I186-T189 PolarHBondContact O-N 3.01Å; I186-T189 VanDerWaalsContact O-N 3.14Å; I186-T189 PolarHBondContact O-OG1 3.39Å |
| 187 | S | 87.3 | Confident | 84.7 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 177.9 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | F183 D184 T189 | F183-S187 PolarHBondContact O-N 2.94Å; F183-S187 PolarHBondContact O-OG 3.49Å; D184-S187 WeakPolarHBondContact CA-OG 3.36Å; D184-S187 PolarHBondContact O-OG 2.6Å; S187-T189 VanDerWaalsContact C-N 3.27Å; S187-T189 PolarHBondContact O-N 3.05Å |
| 188 | K | 86.3 | Confident | 84.5 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -5.5 | 178.2 | -74.5 | 172.2 | -178.3 | 158 | 0 | 115.2 | D184 I186 S191 Y192 | D184-K188 VanDerWaalsContact O-CD 3.26Å; D184-K188 WeakPolarHBondContact O-CD 3.4Å; D184-K188 VanDerWaalsContact O-CG 3.25Å; D184-K188 WeakPolarHBondContact O-CG 3.29Å; D184-K188 WeakPolarHBondContact OD1-CE 3.4Å; D184-K188 IonicContact OD1-NZ 2.87Å; D184-K188 PolarHBondContact OD1-NZ 3.4Å; D184-K188 IonicContact OD2-NZ 2.71Å; D184-K188 PolarHBondContact OD2-NZ 3.27Å; I186-K188 PolarHBondContact O-N 3.34Å; K188-S191 PolarHBondContact O-N 3.42Å; K188-Y192 PolarHBondContact O-N 2.88Å |
| 189 | T | 80.1 | Confident | 84.4 | Confident | 61 Ų | 61 | 85 Ų | 85 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -44.8 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | V126 I186 S187 S191 Y192 | V126-T189 HydrophobicContact CG1-CG2 4.28Å; V126-T189 HydrophobicContact CG2-CG2 4.21Å; I186-T189 WeakPolarHBondContact O-CG2 3.2Å; I186-T189 PolarHBondContact O-N 3.01Å; I186-T189 VanDerWaalsContact O-N 3.14Å; I186-T189 PolarHBondContact O-OG1 3.39Å; S187-T189 VanDerWaalsContact C-N 3.27Å; S187-T189 PolarHBondContact O-N 3.05Å; T189-S191 VanDerWaalsContact C-N 3.3Å; T189-S191 PolarHBondContact O-N 3.46Å; T189-Y192 PolarHBondContact O-N 2.81Å |
| 190 | Y | 79.1 | Confident | 84.2 | Confident | 222 Ų | 222 | 93.1 Ų | 93.1 | 87% | 0.871 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.3 | 175.2 | -68.5 | -74.7 | 0 | 0 | 0 | 113.7 | Y192 | Y190-Y192 VanDerWaalsContact C-N 3.29Š|
| 191 | S | 81.8 | Confident | 84 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.3 | 173.4 | -47.5 | 0 | 0 | 0 | 0 | 113.5 | K188 T189 | K188-S191 PolarHBondContact O-N 3.42Å; T189-S191 VanDerWaalsContact C-N 3.3Å; T189-S191 PolarHBondContact O-N 3.46Å |
| 192 | Y | 74.7 | Confident | 83.9 | Confident | 133 Ų | 133 | 96.9 Ų | 96.9 | 52% | 0.522 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -90.4 | 111.4 | -178.3 | -156.9 | -94.5 | 0 | 0 | 0 | 110 | F124 K188 T189 Y190 T194 | F124-Y192 AromaticContact CD1-CD1 3.94Å; F124-Y192 HydrophobicContact CD1-CD1 3.94Å; F124-Y192 AromaticContact CD1-CE1 3.96Å; F124-Y192 HydrophobicContact CD1-CE1 3.96Å; F124-Y192 HydrophobicContact CG-CD1 4.38Å; K188-Y192 PolarHBondContact O-N 2.88Å; T189-Y192 PolarHBondContact O-N 2.81Å; Y190-Y192 VanDerWaalsContact C-N 3.29Å; Y192-T194 HydrophobicContact CD1-CG2 4.05Å; Y192-T194 PolarHBondContact O-N 3.42Å |
| 193 | L | 75.4 | Confident | 83.8 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | trans | -75.2 | 123.3 | 178.9 | -174 | 68 | 0 | 0 | 0 | 110.7 | L197 | L193-L197 HydrophobicContact CD1-CB 3.9Š| ||
| 194 | T | 72.5 | Confident | 83.8 | Confident | 9 Ų | 9 | 102.9 Ų | 102.9 | 6% | 0.055 | 52% | 0.515 | C | S | . | . | trans | -113.7 | 155.2 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | F124 Y192 D196 L197 W198 | F124-T194 HydrophobicContact CD1-CG2 4.02Å; F124-T194 HydrophobicContact CD2-CG2 4.14Å; F124-T194 HydrophobicContact CE1-CG2 3.46Å; F124-T194 VanDerWaalsContact CE1-CG2 3.46Å; F124-T194 HydrophobicContact CE2-CG2 3.6Å; F124-T194 HydrophobicContact CG-CG2 4.34Å; F124-T194 HydrophobicContact CZ-CG2 3.23Å; Y192-T194 HydrophobicContact CD1-CG2 4.05Å; Y192-T194 PolarHBondContact O-N 3.42Å; T194-D196 WeakPolarHBondContact CB-OD1 3.31Å; T194-D196 PolarHBondContact O-N 3.04Å; T194-D196 VanDerWaalsContact O-N 3.15Å; T194-D196 VanDerWaalsContact OG1-CG 3.32Å; T194-D196 PolarHBondContact OG1-OD1 3.3Å; T194-L197 CarbonylContact O-C 3.6Å; T194-L197 WeakPolarHBondContact O-CA 2.97Å; T194-L197 WeakPolarHBondContact O-CB 3.33Å; T194-L197 PolarHBondContact O-N 3.48Å; T194-L197 WeakPolarHBondContact OG1-CD1 3.24Å; T194-L197 WeakPolarHBondContact OG1-CG 3.32Å; T194-W198 PolarHBondContact O-N 3.27Å; T194-W198 PolarHBondContact O-NE1 3.12Å | ||
| 195 | P | 77.3 | Confident | 83.8 | Confident | 83 Ų | 83 | 107.7 Ų | 107.7 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.2 | -174 | -26.7 | 36.2 | 0 | 0 | 0 | 115.6 | L197 W198 | P195-L197 VanDerWaalsContact C-N 3.27Å; P195-L197 PolarHBondContact O-N 3.42Å; P195-W198 HydrophobicContact CB-CD2 4.14Å; P195-W198 HydrophobicContact CB-CE3 4.16Å; P195-W198 HydrophobicContact CB-CH2 4.34Å; P195-W198 HydrophobicContact CB-CZ2 4.3Å; P195-W198 HydrophobicContact CB-CZ3 4.26Å; P195-W198 HydrophobicContact CG-CH2 4.17Å; P195-W198 HydrophobicContact CG-CZ2 3.97Å; P195-W198 WeakPolarHBondContact O-CB 3.4Å; P195-W198 PolarHBondContact O-N 3.37Å |
| 196 | D | 75.9 | Confident | 83.9 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -68.2 | -24 | 171.8 | 50.5 | -51.8 | 0 | 0 | 0 | 113.5 | T194 | T194-D196 WeakPolarHBondContact CB-OD1 3.31Å; T194-D196 PolarHBondContact O-N 3.04Å; T194-D196 VanDerWaalsContact O-N 3.15Å; T194-D196 VanDerWaalsContact OG1-CG 3.32Å; T194-D196 PolarHBondContact OG1-OD1 3.3Å |
| 197 | L | 79.2 | Confident | 84.1 | Confident | 103 Ų | 103 | 107.9 Ų | 107.9 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -95.7 | 5.9 | 175.8 | -61.2 | 176.3 | 0 | 0 | 0 | 113.3 | L193 T194 P195 K199 | L193-L197 HydrophobicContact CD1-CB 3.9Å; T194-L197 CarbonylContact O-C 3.6Å; T194-L197 WeakPolarHBondContact O-CA 2.97Å; T194-L197 WeakPolarHBondContact O-CB 3.33Å; T194-L197 PolarHBondContact O-N 3.48Å; T194-L197 WeakPolarHBondContact OG1-CD1 3.24Å; T194-L197 WeakPolarHBondContact OG1-CG 3.32Å; P195-L197 VanDerWaalsContact C-N 3.27Å; P195-L197 PolarHBondContact O-N 3.42Å; L197-K199 PolarHBondContact O-N 3.39Å |
| 198 | W | 87.8 | Confident | 84.2 | Confident | 180 Ų | 180 | 108.7 Ų | 108.7 | 68% | 0.682 | 53% | 0.533 | S | S | * | . | trans | -78 | -2.1 | 175.7 | -66.9 | -3.6 | 0 | 0 | 0 | 114.1 | T194 P195 | T194-W198 PolarHBondContact O-N 3.27Å; T194-W198 PolarHBondContact O-NE1 3.12Å; P195-W198 HydrophobicContact CB-CD2 4.14Å; P195-W198 HydrophobicContact CB-CE3 4.16Å; P195-W198 HydrophobicContact CB-CH2 4.34Å; P195-W198 HydrophobicContact CB-CZ2 4.3Å; P195-W198 HydrophobicContact CB-CZ3 4.26Å; P195-W198 HydrophobicContact CG-CH2 4.17Å; P195-W198 HydrophobicContact CG-CZ2 3.97Å; P195-W198 WeakPolarHBondContact O-CB 3.4Å; P195-W198 PolarHBondContact O-N 3.37Å | ||
| 199 | K | 88.1 | Confident | 84.4 | Confident | 171 Ų | 171 | 110.6 Ų | 110.6 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -65.3 | 140.9 | 173.3 | -65.4 | 178 | -179 | 176.9 | 0 | 109.6 | L197 T201 | L197-K199 PolarHBondContact O-N 3.39Å; K199-T201 PolarHBondContact O-N 2.81Å |
| 200 | E | 89.3 | Confident | 84.9 | Confident | 185 Ų | 185 | 113.4 Ų | 113.4 | 86% | 0.864 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.8 | 178.8 | -170.3 | 170.8 | -166.9 | 0 | 0 | 111.3 | ||
| 201 | T | 87.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 122.4 | -175.5 | 51.4 | 0 | 0 | 0 | 0 | 111 | K199 F203 | K199-T201 PolarHBondContact O-N 2.81Å; T201-F203 PolarHBondContact O-N 3.37Å; T201-F203 WeakPolarHBondContact OG1-CZ 3.25Å |
| 202 | V | 90.1 | Very high | 85.8 | Confident | 131 Ų | 131 | 103.3 Ų | 103.3 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | trans | -73 | 109.6 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | T204 | V202-T204 PolarHBondContact O-N 2.69Š| ||
| 203 | F | 88.9 | Confident | 86.4 | Confident | 182 Ų | 182 | 102.7 Ų | 102.7 | 80% | 0.798 | 51% | 0.512 | S | S | * | . | trans | -73.5 | 108.3 | 178 | -63.1 | -72.1 | 0 | 0 | 0 | 111.3 | T201 | T201-F203 PolarHBondContact O-N 3.37Å; T201-F203 WeakPolarHBondContact OG1-CZ 3.25Å | ||
| 204 | T | 91.4 | Very high | 87 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 159.9 | 170.7 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | F84 V202 | F84-T204 WeakPolarHBondContact CZ-OG1 3.45Å; V202-T204 PolarHBondContact O-N 2.69Å |
| 205 | K | 91.7 | Very high | 87.7 | Confident | 141 Ų | 141 | 99.5 Ų | 99.5 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 141.9 | 175.9 | -66.5 | 177.9 | -177.3 | 174.2 | 0 | 109.8 | F84 | F84-K205 WeakPolarHBondContact CZ-O 3.3Š|
| 206 | S | 91 | Very high | 88.1 | Confident | 32 Ų | 32 | 99.5 Ų | 99.5 | 22% | 0.224 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 147.5 | 175.8 | 72 | 0 | 0 | 0 | 0 | 111.5 | Y208 Q209 E210 | S206-Y208 PolarHBondContact O-N 2.93Å; S206-Y208 VanDerWaalsContact O-N 3.13Å; S206-Q209 WeakPolarHBondContact O-CA 3.44Å; S206-Q209 WeakPolarHBondContact O-CB 3.44Å; S206-Q209 PolarHBondContact O-N 2.85Å; S206-Q209 WeakPolarHBondContact OG-CB 3.4Å; S206-Q209 PolarHBondContact OG-N 2.96Å; S206-E210 PolarHBondContact O-N 3.27Å |
| 207 | P | 91.3 | Very high | 88.4 | Confident | 6 Ų | 6 | 101.6 Ų | 101.6 | 4% | 0.039 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -56.3 | -31.1 | 176.7 | -28.6 | 34.5 | 0 | 0 | 0 | 113.5 | L69 I75 F84 F211 | L69-P207 HydrophobicContact CD1-CB 4.4Å; I75-P207 HydrophobicContact CD1-CB 3.99Å; I75-P207 HydrophobicContact CD1-CG 4.42Å; I75-P207 HydrophobicContact CG1-CB 4.04Å; I75-P207 HydrophobicContact CG1-CG 4.41Å; F84-P207 HydrophobicContact CD2-CG 4.14Å; F84-P207 HydrophobicContact CE2-CG 4.39Å; P207-F211 HydrophobicContact CB-CD2 4.19Å; P207-F211 HydrophobicContact CB-CE2 4.37Å; P207-F211 WeakPolarHBondContact O-CB 3.33Å; P207-F211 WeakPolarHBondContact O-CD2 3.33Å; P207-F211 PolarHBondContact O-N 3.12Å |
| 208 | Y | 89.3 | Confident | 88.3 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 29% | 0.29 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 174.4 | -66.8 | -32.2 | 0 | 0 | 0 | 113.1 | K65 L69 L86 S206 T212 L215 | K65-Y208 HydrophobicContact CB-CD1 4.3Å; K65-Y208 HydrophobicContact CB-CE1 3.75Å; L69-Y208 HydrophobicContact CD1-CD1 3.97Å; L69-Y208 HydrophobicContact CD1-CE1 4.27Å; L86-Y208 HydrophobicContact CD1-CE2 4.09Å; L86-Y208 HydrophobicContact CD2-CD2 4.16Å; L86-Y208 HydrophobicContact CD2-CE2 3.67Å; L86-Y208 HydrophobicContact CG-CE2 4.46Å; S206-Y208 PolarHBondContact O-N 2.93Å; S206-Y208 VanDerWaalsContact O-N 3.13Å; Y208-T212 PolarHBondContact O-N 3.47Å; Y208-T212 PolarHBondContact O-OG1 3.45Å; Y208-L215 HydrophobicContact CD1-CD1 4.21Å |
| 209 | Q | 89.6 | Confident | 87.3 | Confident | 119 Ų | 119 | 93 Ų | 93 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -75.2 | -47.7 | 176.5 | -174 | 179.7 | 7.5 | 0 | 0 | 110.9 | S206 T212 | S206-Q209 WeakPolarHBondContact O-CA 3.44Å; S206-Q209 WeakPolarHBondContact O-CB 3.44Å; S206-Q209 PolarHBondContact O-N 2.85Å; S206-Q209 WeakPolarHBondContact OG-CB 3.4Å; S206-Q209 PolarHBondContact OG-N 2.96Å; Q209-T212 PolarHBondContact O-N 2.8Å; Q209-T212 PolarHBondContact O-OG1 3.19Å |
| 210 | E | 90.6 | Very high | 85.9 | Confident | 120 Ų | 120 | 88.5 Ų | 88.5 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | -179.4 | -172.9 | 173.4 | 165.7 | 0 | 0 | 112.3 | S206 | S206-E210 PolarHBondContact O-N 3.27Å |
| 211 | F | 90.9 | Very high | 84.2 | Confident | 39 Ų | 39 | 88.6 Ų | 88.6 | 17% | 0.171 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 25.4 | -178.3 | -53.2 | -58 | 0 | 0 | 0 | 113.6 | L69 K74 P207 D213 H214 L215 | L69-F211 HydrophobicContact CD1-CB 4.34Å; L69-F211 HydrophobicContact CD1-CD2 4.26Å; L69-F211 HydrophobicContact CD2-CB 3.39Å; L69-F211 HydrophobicContact CD2-CD2 3.96Å; L69-F211 HydrophobicContact CD2-CG 3.88Å; K74-F211 HydrophobicContact CB-CD1 4.2Å; K74-F211 HydrophobicContact CB-CD2 3.85Å; K74-F211 HydrophobicContact CB-CE1 4.13Å; K74-F211 HydrophobicContact CB-CE2 3.78Å; K74-F211 HydrophobicContact CB-CG 4.08Å; K74-F211 HydrophobicContact CB-CZ 3.93Å; K74-F211 HydrophobicContact CD-CD1 4.29Å; K74-F211 HydrophobicContact CD-CE1 4.22Å; K74-F211 HydrophobicContact CG-CD1 4.32Å; K74-F211 HydrophobicContact CG-CG 4.42Å; P207-F211 HydrophobicContact CB-CD2 4.19Å; P207-F211 HydrophobicContact CB-CE2 4.37Å; P207-F211 WeakPolarHBondContact O-CB 3.33Å; P207-F211 WeakPolarHBondContact O-CD2 3.33Å; P207-F211 PolarHBondContact O-N 3.12Å; F211-D213 PolarHBondContact O-N 3.01Å; F211-H214 HydrophobicContact CB-CB 4.24Å; F211-H214 WeakPolarHBondContact O-CB 3.43Å; F211-H214 PolarHBondContact O-N 3.15Å; F211-L215 WeakPolarHBondContact O-CG 3.3Å; F211-L215 PolarHBondContact O-N 3.34Å |
| 212 | T | 89.3 | Confident | 82.4 | Confident | 66 Ų | 66 | 89.1 Ų | 89.1 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.1 | -52.1 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | Y208 Q209 H214 L215 V216 | Y208-T212 PolarHBondContact O-N 3.47Å; Y208-T212 PolarHBondContact O-OG1 3.45Å; Q209-T212 PolarHBondContact O-N 2.8Å; Q209-T212 PolarHBondContact O-OG1 3.19Å; T212-H214 PolarHBondContact O-N 3.26Å; T212-L215 PolarHBondContact O-N 3.17Å; T212-L215 VanDerWaalsContact O-N 3.15Å; T212-V216 HydrophobicContact CG2-CG2 4.49Å; T212-V216 WeakPolarHBondContact O-CG2 3.32Å; T212-V216 PolarHBondContact O-N 2.64Å |
| 213 | D | 88.3 | Confident | 80.1 | Confident | 121 Ų | 121 | 87.5 Ų | 87.5 | 65% | 0.647 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.3 | -30.1 | -177.6 | -61.8 | -30.3 | 0 | 0 | 0 | 113 | F211 K217 | F211-D213 PolarHBondContact O-N 3.01Å; D213-K217 WeakPolarHBondContact O-CD 3.27Å; D213-K217 WeakPolarHBondContact O-CG 3.34Å; D213-K217 PolarHBondContact O-N 3.06Å |
| 214 | H | 87.6 | Confident | 77.9 | Confident | 46 Ų | 46 | 83.9 Ų | 83.9 | 21% | 0.213 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -71.6 | -47.2 | 175.9 | -171.5 | -103.2 | 0 | 0 | 0 | 110.6 | D72 K74 F211 T212 V216 K217 T218 | D72-H214 IonicContact OD2-CE1 3.24Å; D72-H214 PolarHBondContact OD2-CE1 2.99Å; D72-H214 VanDerWaalsContact OD2-CE1 3.24Å; K74-H214 WeakPolarHBondContact CE-NE2 3.21Å; F211-H214 HydrophobicContact CB-CB 4.24Å; F211-H214 WeakPolarHBondContact O-CB 3.43Å; F211-H214 PolarHBondContact O-N 3.15Å; T212-H214 PolarHBondContact O-N 3.26Å; H214-V216 VanDerWaalsContact C-N 3.32Å; H214-V216 PolarHBondContact O-N 3.14Å; H214-K217 WeakPolarHBondContact O-CB 3.43Å; H214-K217 PolarHBondContact O-N 3.07Å; H214-T218 PolarHBondContact O-N 3.07Å; H214-T218 PolarHBondContact O-OG1 3.12Å |
| 215 | L | 86.3 | Confident | 75.4 | Confident | 12 Ų | 12 | 88.2 Ų | 88.2 | 6% | 0.063 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 175.5 | -71.9 | 171.7 | 0 | 0 | 0 | 112.2 | K65 L69 Y208 F211 T212 K217 T218 H219 | K65-L215 HydrophobicContact CB-CD1 4.11Å; K65-L215 HydrophobicContact CB-CD2 3.88Å; K65-L215 HydrophobicContact CD-CD1 4.23Å; K65-L215 HydrophobicContact CG-CD1 4.32Å; K65-L215 HydrophobicContact CG-CD2 4.17Å; L69-L215 HydrophobicContact CD1-CD1 4.19Å; L69-L215 HydrophobicContact CD2-CD2 4.18Å; L69-L215 HydrophobicContact CD2-CG 4.17Å; L69-L215 HydrophobicContact CG-CD2 4.08Å; L69-L215 HydrophobicContact CG-CG 4.4Å; Y208-L215 HydrophobicContact CD1-CD1 4.21Å; F211-L215 WeakPolarHBondContact O-CG 3.3Å; F211-L215 PolarHBondContact O-N 3.34Å; T212-L215 PolarHBondContact O-N 3.17Å; T212-L215 VanDerWaalsContact O-N 3.15Å; L215-K217 PolarHBondContact O-N 2.88Å; L215-T218 PolarHBondContact O-N 2.83Å; L215-H219 HydrophobicContact CB-CB 4.45Å; L215-H219 HydrophobicContact CD2-CB 4.37Å; L215-H219 WeakPolarHBondContact O-CA 3.36Å; L215-H219 WeakPolarHBondContact O-CB 3.06Å; L215-H219 PolarHBondContact O-N 2.71Å |
| 216 | V | 85.4 | Confident | 73.1 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.8 | -26.4 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | T212 H214 T220 | T212-V216 HydrophobicContact CG2-CG2 4.49Å; T212-V216 WeakPolarHBondContact O-CG2 3.32Å; T212-V216 PolarHBondContact O-N 2.64Å; H214-V216 VanDerWaalsContact C-N 3.32Å; H214-V216 PolarHBondContact O-N 3.14Å; V216-T220 PolarHBondContact O-OG1 3.22Å |
| 217 | K | 83.3 | Confident | 70.8 | Confident | 153 Ų | 153 | 96.8 Ų | 96.8 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -83.9 | -40.6 | 176.1 | -66.3 | 167.2 | -172.7 | 175.4 | 0 | 112.6 | D213 H214 L215 | D213-K217 WeakPolarHBondContact O-CD 3.27Å; D213-K217 WeakPolarHBondContact O-CG 3.34Å; D213-K217 PolarHBondContact O-N 3.06Å; H214-K217 WeakPolarHBondContact O-CB 3.43Å; H214-K217 PolarHBondContact O-N 3.07Å; L215-K217 PolarHBondContact O-N 2.88Å |
| 218 | T | 76.6 | Confident | 68.2 | Low | 43 Ų | 43 | 105.4 Ų | 105.4 | 26% | 0.264 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -102.8 | -22.3 | -170.7 | 65.8 | 0 | 0 | 0 | 0 | 115.6 | R68 H214 L215 | R68-T218 PolarHBondContact NE-O 3.02Å; H214-T218 PolarHBondContact O-N 3.07Å; H214-T218 PolarHBondContact O-OG1 3.12Å; L215-T218 PolarHBondContact O-N 2.83Å |
| 219 | H | 66.1 | Low | 65.9 | Low | 58 Ų | 58 | 106.4 Ų | 106.4 | 27% | 0.269 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -44 | -174.1 | -173.5 | 62 | 0 | 0 | 0 | 113.3 | K65 R68 L215 | K65-H219 WeakPolarHBondContact CE-NE2 3.43Å; R68-H219 PolarHBondContact NH1-ND1 2.85Å; L215-H219 HydrophobicContact CB-CB 4.45Å; L215-H219 HydrophobicContact CD2-CB 4.37Å; L215-H219 WeakPolarHBondContact O-CA 3.36Å; L215-H219 WeakPolarHBondContact O-CB 3.06Å; L215-H219 PolarHBondContact O-N 2.71Å |
| 220 | T | 59.4 | Low | 63.8 | Low | 77 Ų | 77 | 106.4 Ų | 106.4 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -87.6 | -20.9 | -167.6 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | V216 S223 | V216-T220 PolarHBondContact O-OG1 3.22Å; T220-S223 PolarHBondContact O-OG 2.94Å |
| 221 | R | 54 | Low | 61.8 | Low | 188 Ų | 188 | 105.4 Ų | 105.4 | 71% | 0.709 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -88.9 | -17.4 | -171.4 | -68.7 | -173.3 | 171.6 | -164.1 | -3.9 | 115.4 | S223 V224 | R221-S223 VanDerWaalsContact C-N 3.31Å; R221-S223 PolarHBondContact O-N 2.89Å; R221-V224 PolarHBondContact O-N 2.86Å |
| 222 | V | 49.1 | Very low | 59.8 | Low | 98 Ų | 98 | 109.6 Ų | 109.6 | 59% | 0.594 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -20.9 | -173.9 | -175 | 0 | 0 | 0 | 0 | 113 | V224 | V222-V224 VanDerWaalsContact C-N 3.34Å; V222-V224 PolarHBondContact O-N 2.78Å |
| 223 | S | 42.9 | Very low | 57.8 | Low | 97 Ų | 97 | 110.8 Ų | 110.8 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -18.9 | 177 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | T220 R221 | T220-S223 PolarHBondContact O-OG 2.94Å; R221-S223 VanDerWaalsContact C-N 3.31Å; R221-S223 PolarHBondContact O-N 2.89Å |
| 224 | V | 42 | Very low | 56.1 | Low | 106 Ų | 106 | 111.4 Ų | 111.4 | 64% | 0.642 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -20.5 | -170.7 | -177 | 0 | 0 | 0 | 0 | 112.8 | R221 V222 R226 | R221-V224 PolarHBondContact O-N 2.86Å; V222-V224 VanDerWaalsContact C-N 3.34Å; V222-V224 PolarHBondContact O-N 2.78Å; V224-R226 VanDerWaalsContact C-N 3.31Å; V224-R226 PolarHBondContact O-N 2.81Å |
| 225 | Q | 38.6 | Very low | 54.7 | Low | 174 Ų | 174 | 118.8 Ų | 118.8 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 8.9 | -173.7 | -70.2 | -178.5 | -32.4 | 0 | 0 | 115.1 | ||
| 226 | R | 43.6 | Very low | 53.1 | Low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 9.3 | -179.3 | -146.6 | -176.4 | 178 | 177.5 | -0.2 | 115 | V224 | V224-R226 VanDerWaalsContact C-N 3.31Å; V224-R226 PolarHBondContact O-N 2.81Å |
| 227 | T | 42.1 | Very low | 51.4 | Low | 115 Ų | 115 | 126.4 Ų | 126.4 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -137.9 | 89.7 | 176 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 228 | Q | 36.3 | Very low | 49.6 | Very low | 188 Ų | 188 | 124.9 Ų | 124.9 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | trans | -177.1 | 98.2 | 135.4 | -99.3 | 163.2 | 32.3 | 0 | 0 | 108.3 | ||||
| 229 | A | 41.2 | Very low | 48 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | trans | -71.9 | 133 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | A231 | A229-A231 PolarHBondContact O-N 3.39Š| ||
| 230 | P | 46.3 | Very low | 46.9 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -64.2 | 124 | 175.5 | 26.7 | -32.6 | 0 | 0 | 0 | 108.7 | V232 | P230-V232 PolarHBondContact O-N 2.87Å; P230-V232 VanDerWaalsContact O-N 3.1Å | ||
| 231 | A | 48.8 | Very low | 46.1 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 111.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | A229 A233 | A229-A231 PolarHBondContact O-N 3.39Å; A231-A233 PolarHBondContact O-N 2.88Å; A231-A233 VanDerWaalsContact O-N 3.1Å | ||
| 232 | V | 48.8 | Very low | 45.5 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -66.2 | 109.7 | 170.6 | 177 | 0 | 0 | 0 | 0 | 107 | P230 T234 | P230-V232 PolarHBondContact O-N 2.87Å; P230-V232 VanDerWaalsContact O-N 3.1Å; V232-T234 PolarHBondContact O-N 3.29Å | ||
| 233 | A | 47.4 | Very low | 45.2 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 105.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A231 | A231-A233 PolarHBondContact O-N 2.88Å; A231-A233 VanDerWaalsContact O-N 3.1Å | ||
| 234 | T | 52.4 | Low | 45.4 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 83% | 0.828 | 82% | 0.824 | S | S | * | * | trans | -81.2 | 121.5 | 164.9 | -52.4 | 0 | 0 | 0 | 0 | 108 | V232 | V232-T234 PolarHBondContact O-N 3.29Š| ||
| 235 | T | 57.7 | Low | 45.7 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 100% | 1.233 | 84% | 0.841 | S | S | * | * | trans | -100.5 | 0 | 167.7 | -39.3 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 235 of 235 residues in 905.4 ms
(Link to these results)