| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 53.7 | Low | 227 Ų | 227 | 148.4 Ų | 148.4 | 100% | 1.118 | 75% | 0.749 | S | S | * | * | 0 | 119.4 | 0 | -73.6 | -171 | 165.2 | 0 | 0 | 110 | |||||
| 2 | P | 49.3 | Very low | 54.4 | Low | 134 Ų | 134 | 152.3 Ų | 152.3 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | -111.8 | 108.4 | 167.5 | 32.9 | -18.7 | 0 | 0 | 0 | 110.3 | ||||
| 3 | R | 55.3 | Low | 54.9 | Low | 243 Ų | 243 | 144.8 Ų | 144.8 | 92% | 0.917 | 73% | 0.726 | S | S | * | * | trans | -111.5 | 113.3 | 171.2 | -83.5 | -179.2 | 173.1 | 169.2 | -1.9 | 108.2 | ||||
| 4 | G | 49.8 | Very low | 55.4 | Low | 52 Ų | 52 | 146.3 Ų | 146.3 | 54% | 0.536 | 73% | 0.725 | S | S | . | * | S | Bend | trans | 170.4 | -20.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 5 | Q | 52.9 | Low | 55.7 | Low | 181 Ų | 181 | 150.1 Ų | 150.1 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -95.7 | -17.5 | -171.3 | -70.2 | -152.4 | -23.6 | 0 | 0 | 116.1 | S7 | Q5-S7 PolarHBondContact O-N 3.49Š|
| 6 | K | 54.5 | Low | 56 | Low | 191 Ų | 191 | 149.1 Ų | 149.1 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -78.1 | -17.3 | -176.8 | -66.7 | -174.9 | 178 | -178.1 | 0 | 114.7 | S9 | K6-S9 PolarHBondContact O-OG 3.42Å |
| 7 | S | 57.6 | Low | 56 | Low | 84 Ų | 84 | 148.4 Ų | 148.4 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -80.4 | -34.7 | 179.9 | 65 | 0 | 0 | 0 | 0 | 113 | Q5 S11 | Q5-S7 PolarHBondContact O-N 3.49Å; S7-S11 PolarHBondContact O-N 3.35Å; S7-S11 PolarHBondContact O-OG 3.07Å |
| 8 | K | 57.5 | Low | 55.5 | Low | 161 Ų | 161 | 143.6 Ų | 143.6 | 70% | 0.7 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.3 | -33.9 | -177.6 | -71.9 | -178 | 176.9 | 176.5 | 0 | 113.3 | S11 R12 | K8-S11 WeakPolarHBondContact CA-OG 3.46Å; K8-S11 PolarHBondContact O-OG 3.23Å; K8-R12 PolarHBondContact O-N 3.28Å |
| 9 | S | 57.2 | Low | 55.2 | Low | 78 Ų | 78 | 146.7 Ų | 146.7 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -69.1 | -38.9 | 177.6 | 56 | 0 | 0 | 0 | 0 | 112 | K6 S11 R12 A13 | K6-S9 PolarHBondContact O-OG 3.42Å; S9-S11 PolarHBondContact O-N 2.86Å; S9-R12 PolarHBondContact O-N 3.48Å; S9-A13 PolarHBondContact O-N 3.33Å; S9-A13 VanDerWaalsContact O-N 3.07Å |
| 10 | R | 61.8 | Low | 54.8 | Low | 209 Ų | 209 | 149.8 Ų | 149.8 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -66.8 | -37.2 | -179.7 | -142.9 | 176.1 | -171.7 | -174.2 | 1.9 | 112.6 | K14 | R10-K14 PolarHBondContact O-N 3.16Å |
| 11 | S | 57.8 | Low | 54.3 | Low | 72 Ų | 72 | 149.8 Ų | 149.8 | 50% | 0.503 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -67.8 | -33.5 | 173.8 | 38.5 | 0 | 0 | 0 | 0 | 113.3 | S7 K8 S9 R15 | S7-S11 PolarHBondContact O-N 3.35Å; S7-S11 PolarHBondContact O-OG 3.07Å; K8-S11 WeakPolarHBondContact CA-OG 3.46Å; K8-S11 PolarHBondContact O-OG 3.23Å; S9-S11 PolarHBondContact O-N 2.86Å; S11-R15 PolarHBondContact O-N 3.37Å |
| 12 | R | 62 | Low | 54.7 | Low | 195 Ų | 195 | 145.2 Ų | 145.2 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76 | -35.9 | -179.6 | -144.9 | 175.8 | -174.3 | -172.8 | 1 | 111.9 | K8 S9 R15 Q16 | K8-R12 PolarHBondContact O-N 3.28Å; S9-R12 PolarHBondContact O-N 3.48Å; R12-R15 PolarHBondContact O-N 3.15Å; R12-Q16 PolarHBondContact O-N 3.24Å |
| 13 | A | 61 | Low | 54.2 | Low | 55 Ų | 55 | 146.9 Ų | 146.9 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -64.1 | -42.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S9 R15 Q16 Q17 | S9-A13 PolarHBondContact O-N 3.33Å; S9-A13 VanDerWaalsContact O-N 3.07Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 3.4Å; A13-Q16 PolarHBondContact O-N 2.97Å; A13-Q16 VanDerWaalsContact O-N 3.15Å; A13-Q17 PolarHBondContact O-N 3.49Å |
| 14 | K | 61.1 | Low | 53.6 | Low | 166 Ų | 166 | 141.2 Ų | 141.2 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.3 | -31 | -179.9 | -157.6 | 168.5 | -176.2 | 178.5 | 0 | 113.2 | R10 S18 | R10-K14 PolarHBondContact O-N 3.16Å; K14-S18 PolarHBondContact O-N 3.37Å |
| 15 | R | 59.6 | Low | 52.8 | Low | 204 Ų | 204 | 145.3 Ų | 145.3 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.4 | -26.8 | 174.3 | -106.9 | -177.4 | 167.9 | -165.9 | -3.4 | 114.1 | S11 R12 A13 S18 | S11-R15 PolarHBondContact O-N 3.37Å; R12-R15 PolarHBondContact O-N 3.15Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 3.4Å; R15-S18 PolarHBondContact O-OG 3.19Å |
| 16 | Q | 60.9 | Low | 52.2 | Low | 134 Ų | 134 | 145.3 Ų | 145.3 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -81.8 | -30.2 | 176.9 | -75.1 | -177.4 | -15.9 | 0 | 0 | 112 | R12 A13 R19 R20 | R12-Q16 PolarHBondContact O-N 3.24Å; A13-Q16 PolarHBondContact O-N 2.97Å; A13-Q16 VanDerWaalsContact O-N 3.15Å; Q16-R19 PolarHBondContact O-N 3.14Å; Q16-R20 PolarHBondContact O-N 2.97Å |
| 17 | Q | 56.5 | Low | 51.2 | Low | 136 Ų | 136 | 142.2 Ų | 142.2 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -70.5 | -42 | 177.3 | -160.4 | 157.2 | -9 | 0 | 0 | 111.9 | A13 R19 R20 E21 | A13-Q17 PolarHBondContact O-N 3.49Å; Q17-R19 PolarHBondContact O-N 3.18Å; Q17-R20 PolarHBondContact O-N 3.03Å; Q17-R20 VanDerWaalsContact O-N 3.16Å; Q17-E21 PolarHBondContact O-N 3.03Å |
| 18 | S | 46.8 | Very low | 49.7 | Very low | 63 Ų | 63 | 144.3 Ų | 144.3 | 44% | 0.441 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -66.9 | -21.6 | 174.8 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | K14 R15 V22 | K14-S18 PolarHBondContact O-N 3.37Å; R15-S18 PolarHBondContact O-OG 3.19Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å |
| 19 | R | 50.1 | Low | 48.6 | Very low | 202 Ų | 202 | 141 Ų | 141 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -79.7 | -23.8 | 175.8 | -169.2 | 174.3 | -179.1 | -166.6 | 0.4 | 112.6 | Q16 Q17 | Q16-R19 PolarHBondContact O-N 3.14Å; Q17-R19 PolarHBondContact O-N 3.18Å |
| 20 | R | 46.8 | Very low | 47.5 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -82.3 | -28.5 | 175.8 | -75.1 | -175.6 | 174.7 | 174.1 | -1.9 | 112.6 | Q16 Q17 | Q16-R20 PolarHBondContact O-N 2.97Å; Q17-R20 PolarHBondContact O-N 3.03Å; Q17-R20 VanDerWaalsContact O-N 3.16Å |
| 21 | E | 44.6 | Very low | 46 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -76.1 | -19.8 | 179.2 | -80.4 | 175.2 | 164.3 | 0 | 0 | 114.5 | Q17 Q23 | Q17-E21 PolarHBondContact O-N 3.03Å; E21-Q23 VanDerWaalsContact C-N 3.33Å |
| 22 | V | 44.6 | Very low | 44.7 | Very low | 130 Ų | 130 | 147 Ų | 147 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -1.8 | -179.7 | -177 | 0 | 0 | 0 | 0 | 112.5 | S18 | S18-V22 WeakPolarHBondContact O-CG2 3.38Š|
| 23 | Q | 39.9 | Very low | 43 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 19.7 | -172.8 | -138.3 | 165.5 | 24.7 | 0 | 0 | 114.7 | E21 | E21-Q23 VanDerWaalsContact C-N 3.33Š|
| 24 | V | 42.8 | Very low | 41.6 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -129.8 | 76.5 | 173.3 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 25 | V | 33.5 | Very low | 40.3 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -153.4 | 100.1 | 146.7 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 26 | Q | 38.7 | Very low | 39.9 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -84 | 147.9 | 153.8 | -72.7 | -179.5 | -2.6 | 0 | 0 | 107.9 | ||
| 27 | P | 33.5 | Very low | 38.5 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 121.7 | 155 | 29.5 | -17.1 | 0 | 0 | 0 | 110.6 | ||
| 28 | T | 26.1 | Very low | 37.1 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58 | 145.1 | 165.5 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 29 | A | 35.9 | Very low | 36.4 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 135.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 30 | E | 32.4 | Very low | 35.5 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -153.2 | 134.4 | 153.5 | -106.7 | 179.8 | -178.4 | 0 | 0 | 110.3 | ||||
| 31 | E | 30.3 | Very low | 34.7 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -64 | 151.7 | 164.5 | -80.4 | -161.9 | 133.4 | 0 | 0 | 111.5 | ||||
| 32 | A | 31.3 | Very low | 33.8 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 168.8 | 125.3 | 115.2 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 33 | G | 27.1 | Very low | 33.4 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 45.9 | 116.1 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 34 | S | 30 | Very low | 32.9 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 168.1 | 118.6 | 104.3 | -75.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 35 | S | 35.2 | Very low | 32.3 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -91.3 | 173.6 | 140 | -67.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 36 | P | 51 | Low | 32.8 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -146.4 | -161.7 | 21.7 | 29.2 | -1.1 | 0 | 0 | 0 | 114.9 | ||||
| 37 | V | 30.4 | Very low | 32.3 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | 88.4 | 140.8 | 156.7 | -52.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 38 | D | 28.3 | Very low | 32 | Very low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -176.2 | 160.9 | -27.1 | -146.6 | -18.2 | 0 | 0 | 0 | 107.3 | ||||
| 39 | L | 30.9 | Very low | 32.3 | Very low | 153 Ų | 153 | 120.6 Ų | 120.6 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | 68.2 | 154.5 | 160 | -51.1 | 171 | 0 | 0 | 0 | 119.7 | ||||
| 40 | S | 31.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | cis | 176.6 | 167 | -28.1 | -170.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 41 | A | 30.3 | Very low | 32.6 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 76.4 | 134.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 42 | G | 26.7 | Very low | 32.7 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 146.9 | 126.4 | 8.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 43 | S | 35 | Very low | 32.5 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -166.7 | 150.3 | 153.6 | -104.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 44 | N | 30.6 | Very low | 32.6 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | -119.4 | 147.7 | -150.4 | -112.8 | -4.6 | 0 | 0 | 0 | 110.6 | ||||
| 45 | F | 30.4 | Very low | 32.7 | Very low | 180 Ų | 180 | 122.7 Ų | 122.7 | 79% | 0.789 | 79% | 0.793 | S | S | * | * | trans | 65.6 | 166.8 | 148.9 | -61.9 | -55.9 | 0 | 0 | 0 | 121.6 | ||||
| 46 | P | 44.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | cis | -121.7 | 178.4 | -20 | 19.3 | 5.3 | 0 | 0 | 0 | 110.6 | ||||
| 47 | G | 27 | Very low | 31.9 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | cis | 119.2 | 122.1 | 26.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 48 | G | 26.7 | Very low | 31.8 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 111.8 | 138.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 49 | S | 33.9 | Very low | 32 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | cis | -164.6 | 151.1 | 2.8 | -70.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 50 | A | 35.2 | Very low | 31.9 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -71.4 | 170.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 51 | P | 39.2 | Very low | 31.9 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | -140.8 | 152.2 | 116.6 | 32.9 | -17.3 | 0 | 0 | 0 | 115.3 | |||||
| 52 | Q | 32.3 | Very low | 31.9 | Very low | 197 Ų | 197 | 128 Ų | 128 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 151 | 164.2 | -70.3 | 176 | -23.8 | 0 | 0 | 111.6 | ||||
| 53 | G | 27 | Very low | 31.9 | Very low | 67 Ų | 67 | 127.8 Ų | 127.8 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | 97.8 | 119.5 | 115.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 54 | V | 29.4 | Very low | 31.8 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | 87.9 | 116.2 | 136.1 | -142.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 55 | K | 32.2 | Very low | 31.8 | Very low | 196 Ų | 196 | 127.1 Ų | 127.1 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | 167.2 | 127.2 | 102.9 | -84.4 | 179.4 | -173.7 | 179.2 | 0 | 113.8 | |||||
| 56 | N | 33.3 | Very low | 31.9 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | -62.2 | 169.8 | 159.6 | -102.5 | 1.6 | 0 | 0 | 0 | 111.9 | ||||
| 57 | P | 36.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | -128.2 | 139.7 | 129.7 | 30.1 | -15.7 | 0 | 0 | 0 | 113.9 | |||||
| 58 | E | 28.3 | Very low | 31.3 | Very low | 176 Ų | 176 | 124.5 Ų | 124.5 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -68.4 | 138.5 | 167.5 | -67.6 | 171.2 | 138.4 | 0 | 0 | 110.8 | ||||
| 59 | S | 32.4 | Very low | 31.8 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | 63.2 | 115.2 | 92.8 | -162.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 60 | F | 29.7 | Very low | 31.6 | Very low | 219 Ų | 219 | 124.9 Ų | 124.9 | 96% | 0.961 | 81% | 0.81 | S | S | * | * | trans | -152.7 | 136 | 143.9 | -75.4 | -80.8 | 0 | 0 | 0 | 104.6 | ||||
| 61 | G | 29.7 | Very low | 31.6 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | cis | 146.4 | 122.5 | 6.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 62 | A | 30.4 | Very low | 31.1 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 97% | 0.967 | 81% | 0.813 | S | S | * | * | trans | 62.3 | 146.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 63 | G | 28 | Very low | 30.9 | Very low | 65 Ų | 65 | 120.3 Ų | 120.3 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | cis | 150.5 | 166.5 | 12.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 64 | V | 32.7 | Very low | 31.2 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | 87.2 | 105.8 | 175.9 | -167 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 65 | S | 30 | Very low | 31.2 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | cis | 85 | 102.6 | 47.2 | -154.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 66 | C | 31.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | 49.5 | 151.3 | 135.4 | -58.6 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 67 | T | 30.5 | Very low | 31.2 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | 105.8 | 134.9 | 158.6 | 69.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 68 | G | 29.8 | Very low | 30.9 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 173.7 | 145.9 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 69 | S | 36.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 58.1 | 133.1 | 140.8 | -147.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 70 | G | 30 | Very low | 31.4 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 179.5 | 109.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 71 | I | 34.9 | Very low | 31.6 | Very low | 172 Ų | 172 | 120.2 Ų | 120.2 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -91.2 | 150.1 | -172 | -71.8 | 164.8 | 0 | 0 | 0 | 112.4 | ||||
| 72 | G | 28.9 | Very low | 31.6 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 139.4 | 129.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 73 | G | 28.1 | Very low | 31.9 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | cis | 143 | 110.9 | 10.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 74 | R | 33.4 | Very low | 32.1 | Very low | 232 Ų | 232 | 130.4 Ų | 130.4 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | 72.7 | 109.7 | 155.4 | -75.6 | -177.9 | 172.8 | 179.1 | -2.9 | 120.9 | ||||
| 75 | N | 30.3 | Very low | 32.8 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | 159.1 | 130.1 | 97.4 | -82.7 | -23.8 | 0 | 0 | 0 | 114.6 | |||||
| 76 | A | 30.6 | Very low | 33.3 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | 40.2 | 117.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 77 | T | 33.9 | Very low | 33.8 | Very low | 132 Ų | 132 | 129 Ų | 129 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 68.7 | 114.4 | 133.8 | -38.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 78 | V | 30.6 | Very low | 34.6 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | 166.2 | 134.3 | 123 | 161.6 | 0 | 0 | 0 | 0 | 108 | |||||
| 79 | L | 37.1 | Very low | 35.2 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -55 | 152.8 | 177.6 | -63.7 | 166.2 | 0 | 0 | 0 | 112.2 | ||||
| 80 | P | 33.9 | Very low | 35.2 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | -147.9 | 153.5 | 95.3 | 34 | -15.2 | 0 | 0 | 0 | 116.2 | |||||
| 81 | D | 32.4 | Very low | 35.4 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 19.1 | 103.2 | 151.7 | -74.8 | -34.6 | 0 | 0 | 0 | 119.2 | K83 | D81-K83 PolarHBondContact O-N 3.38Š| ||
| 82 | T | 30.2 | Very low | 35.5 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -90.3 | 95.8 | 155.5 | 37.7 | 0 | 0 | 0 | 0 | 110.2 | S84 | T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.04Å | ||
| 83 | K | 37.3 | Very low | 36.1 | Very low | 210 Ų | 210 | 124.2 Ų | 124.2 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | trans | -59.7 | 95.6 | 152.2 | -92.2 | -179.6 | 174.6 | 172.2 | 0 | 108.3 | D81 S85 | D81-K83 PolarHBondContact O-N 3.38Å; K83-S85 PolarHBondContact O-N 3.26Å | ||
| 84 | S | 31.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -85.1 | 94.4 | 165 | -170.2 | 0 | 0 | 0 | 0 | 108.5 | T82 D86 | T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.04Å; S84-D86 PolarHBondContact O-N 3.49Å | ||
| 85 | S | 48.2 | Very low | 37 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | -71 | 103.2 | 165 | 173.2 | 0 | 0 | 0 | 0 | 108.4 | K83 | K83-S85 PolarHBondContact O-N 3.26Š| ||
| 86 | D | 40.7 | Very low | 37.7 | Very low | 160 Ų | 160 | 120 Ų | 120 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | -160.7 | 88.9 | 148.3 | -100.5 | -22.2 | 0 | 0 | 0 | 110.2 | S84 | S84-D86 PolarHBondContact O-N 3.49Š| ||
| 87 | G | 41.3 | Very low | 38.5 | Very low | 72 Ų | 72 | 118.9 Ų | 118.9 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | -159.4 | 33.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 88 | T | 47 | Very low | 39.1 | Very low | 101 Ų | 101 | 117.2 Ų | 117.2 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | trans | -137.6 | 43.9 | -170.8 | -34.5 | 0 | 0 | 0 | 0 | 112.9 | T92 | T88-T92 PolarHBondContact O-OG1 3.15Š| ||
| 89 | Q | 42 | Very low | 40.2 | Very low | 177 Ų | 177 | 117.1 Ų | 117.1 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -117.3 | -20.9 | 165.3 | -71.2 | -167.4 | -6.3 | 0 | 0 | 113.8 | ||
| 90 | A | 37.4 | Very low | 42.1 | Very low | 81 Ų | 81 | 111.3 Ų | 111.3 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.4 | -34.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 91 | G | 33.9 | Very low | 44.4 | Very low | 42 Ų | 42 | 109.1 Ų | 109.1 | 43% | 0.433 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74 | -24.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | I94 Q95 | G91-I94 PolarHBondContact O-N 3.44Å; G91-Q95 PolarHBondContact O-N 3.13Å |
| 92 | T | 35.7 | Very low | 47 | Very low | 85 Ų | 85 | 102.4 Ų | 102.4 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.4 | -30.3 | -177.1 | -7.5 | 0 | 0 | 0 | 0 | 112.1 | T88 | T88-T92 PolarHBondContact O-OG1 3.15Å |
| 93 | S | 41.9 | Very low | 49.5 | Very low | 86 Ų | 86 | 98.5 Ų | 98.5 | 60% | 0.601 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.7 | -37.7 | 174.9 | -168.4 | 0 | 0 | 0 | 0 | 112 | H96 T97 | S93-H96 PolarHBondContact O-N 2.96Å; S93-T97 PolarHBondContact O-OG1 3.08Å |
| 94 | I | 43.5 | Very low | 51.9 | Low | 101 Ų | 101 | 95 Ų | 95 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.8 | -32.1 | -175.7 | -60.3 | 172.7 | 0 | 0 | 0 | 112.3 | G91 H96 | G91-I94 PolarHBondContact O-N 3.44Å; I94-H96 VanDerWaalsContact C-N 3.32Å |
| 95 | Q | 36.8 | Very low | 54.7 | Low | 121 Ų | 121 | 91.7 Ų | 91.7 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75.1 | -19.5 | 176.2 | -75.5 | -77.9 | -3.3 | 0 | 0 | 113.3 | G91 K99 | G91-Q95 PolarHBondContact O-N 3.13Å; Q95-K99 WeakPolarHBondContact O-CG 3.44Å |
| 96 | H | 45.1 | Very low | 56.7 | Low | 144 Ų | 144 | 87.2 Ų | 87.2 | 67% | 0.667 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -80.1 | -32.7 | -176.1 | -147.3 | -99.2 | 0 | 0 | 0 | 112.2 | S93 I94 K99 D100 | S93-H96 PolarHBondContact O-N 2.96Å; I94-H96 VanDerWaalsContact C-N 3.32Å; H96-K99 PolarHBondContact O-N 2.98Å; H96-D100 PolarHBondContact O-N 2.72Å |
| 97 | T | 47.3 | Very low | 58.9 | Low | 66 Ų | 66 | 81.4 Ų | 81.4 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 179.5 | -9.2 | 0 | 0 | 0 | 0 | 112.8 | S93 K99 D100 M103 | S93-T97 PolarHBondContact O-OG1 3.08Å; T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.41Å; T97-D100 PolarHBondContact O-N 3.27Å; T97-M103 HydrophobicContact CG2-SD 4.15Å |
| 98 | L | 46.5 | Very low | 61.3 | Low | 96 Ų | 96 | 80.8 Ų | 80.8 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15.9 | 174 | -77.6 | 169.8 | 0 | 0 | 0 | 113.5 | R104 | L98-R104 PolarHBondContact O-NE 3.26Å; L98-R104 VanDerWaalsContact O-NE 3.09Å; L98-R104 PolarHBondContact O-NH2 3.49Å |
| 99 | K | 54.2 | Low | 63.5 | Low | 132 Ų | 132 | 76 Ų | 76 | 57% | 0.574 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.3 | 176.8 | -77.6 | -178.6 | -179.8 | 180 | 0 | 113.9 | Q95 H96 T97 P101 | Q95-K99 WeakPolarHBondContact O-CG 3.44Å; H96-K99 PolarHBondContact O-N 2.98Å; T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.41Å; K99-P101 WeakPolarHBondContact O-CD 3.44Å; K99-P101 VanDerWaalsContact O-N 3.17Å |
| 100 | D | 76.4 | Confident | 65.9 | Low | 38 Ų | 38 | 67.7 Ų | 67.7 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | trans | -68.3 | 110.7 | -178 | -168.2 | -25.4 | 0 | 0 | 0 | 111.5 | H96 T97 I102 M103 R104 R146 | H96-D100 PolarHBondContact O-N 2.72Å; T97-D100 PolarHBondContact O-N 3.27Å; D100-I102 PolarHBondContact O-N 3.37Å; D100-I102 WeakPolarHBondContact OD1-CA 3.49Å; D100-I102 WeakPolarHBondContact OD1-CB 3.42Å; D100-I102 PolarHBondContact OD1-N 3.19Å; D100-M103 HydrophobicContact CB-CB 3.97Å; D100-M103 PolarHBondContact O-N 3.16Å; D100-M103 VanDerWaalsContact O-N 3.12Å; D100-R104 PolarHBondContact O-N 3.41Å; D100-R146 IonicContact OD1-NH1 3.5Å; D100-R146 IonicContact OD2-CZ 3.53Å; D100-R146 IonicContact OD2-NH1 3.59Å; D100-R146 PolarHBondContact OD2-NH1 2.88Å; D100-R146 IonicContact OD2-NH2 2.78Å; D100-R146 PolarHBondContact OD2-NH2 3.09Å | ||
| 101 | P | 83 | Confident | 68.3 | Low | 67 Ų | 67 | 69.2 Ų | 69.2 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.1 | -32 | 179 | -21.7 | 35 | 0 | 0 | 0 | 112.6 | K99 K105 | K99-P101 WeakPolarHBondContact O-CD 3.44Å; K99-P101 VanDerWaalsContact O-N 3.17Å; P101-K105 WeakPolarHBondContact O-CG 3.37Å; P101-K105 PolarHBondContact O-N 3.12Å |
| 102 | I | 86.6 | Confident | 71.1 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 178.2 | -56.8 | -55.2 | 0 | 0 | 0 | 110.1 | D100 R104 K105 A106 Q139 E142 I143 | D100-I102 PolarHBondContact O-N 3.37Å; D100-I102 WeakPolarHBondContact OD1-CA 3.49Å; D100-I102 WeakPolarHBondContact OD1-CB 3.42Å; D100-I102 PolarHBondContact OD1-N 3.19Å; I102-R104 PolarHBondContact O-N 3.25Å; I102-K105 PolarHBondContact O-N 3.17Å; I102-A106 PolarHBondContact O-N 3.49Å; I102-Q139 HydrophobicContact CD1-CB 3.82Å; I102-Q139 HydrophobicContact CD1-CG 4.13Å; I102-E142 HydrophobicContact CG2-CG 4.08Å; I102-I143 HydrophobicContact CB-CG1 4.48Å; I102-I143 HydrophobicContact CD1-CD1 4.4Å; I102-I143 HydrophobicContact CD1-CG1 4.19Å; I102-I143 HydrophobicContact CG2-CG1 3.69Å |
| 103 | M | 83.8 | Confident | 73.9 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.2 | -32.6 | -177 | -163.2 | 154.2 | -65.7 | 0 | 0 | 112.5 | T97 D100 K105 A106 S107 | T97-M103 HydrophobicContact CG2-SD 4.15Å; D100-M103 HydrophobicContact CB-CB 3.97Å; D100-M103 PolarHBondContact O-N 3.16Å; D100-M103 VanDerWaalsContact O-N 3.12Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.17Å; M103-A106 PolarHBondContact O-N 2.84Å; M103-S107 PolarHBondContact O-N 3.22Å; M103-S107 PolarHBondContact O-OG 3.21Å |
| 104 | R | 86.1 | Confident | 76 | Confident | 136 Ų | 136 | 61.5 Ų | 61.5 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 169.8 | -66 | -179.7 | -168.7 | 156.6 | -2.8 | 111.2 | L98 D100 I102 S107 V108 | L98-R104 PolarHBondContact O-NE 3.26Å; L98-R104 VanDerWaalsContact O-NE 3.09Å; L98-R104 PolarHBondContact O-NH2 3.49Å; D100-R104 PolarHBondContact O-N 3.41Å; I102-R104 PolarHBondContact O-N 3.25Å; R104-S107 WeakPolarHBondContact O-CB 3.46Å; R104-S107 PolarHBondContact O-N 3.11Å; R104-V108 PolarHBondContact O-N 2.89Å |
| 105 | K | 91.2 | Very high | 78.1 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 177.1 | -67.6 | -50.6 | -177.1 | 161.8 | 0 | 113.7 | P101 I102 M103 S107 V108 L109 V132 Y136 I143 | P101-K105 WeakPolarHBondContact O-CG 3.37Å; P101-K105 PolarHBondContact O-N 3.12Å; I102-K105 PolarHBondContact O-N 3.17Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.17Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.78Å; K105-V108 PolarHBondContact O-N 3.25Å; K105-L109 PolarHBondContact O-N 3.13Å; K105-V132 HydrophobicContact CB-CG1 4.03Å; K105-V132 HydrophobicContact CD-CG1 4.38Å; K105-V132 WeakPolarHBondContact CD-O 3.46Å; K105-V132 WeakPolarHBondContact CE-O 3.24Å; K105-V132 HydrophobicContact CG-CG1 4.23Å; K105-V132 PolarHBondContact NZ-O 3.28Å; K105-Y136 HydrophobicContact CD-CD2 4.48Å; K105-Y136 HydrophobicContact CD-CE2 4.12Å; K105-Y136 HydrophobicContact CG-CD1 4.38Å; K105-Y136 HydrophobicContact CG-CD2 4.28Å; K105-Y136 HydrophobicContact CG-CE1 4.17Å; K105-Y136 HydrophobicContact CG-CE2 4.05Å; K105-Y136 HydrophobicContact CG-CG 4.46Å; K105-I143 HydrophobicContact CB-CD1 3.87Å; K105-I143 HydrophobicContact CB-CG1 4.3Å; K105-I143 HydrophobicContact CB-CG2 4.2Å; K105-I143 HydrophobicContact CG-CD1 4.44Å |
| 106 | A | 89.6 | Confident | 80.7 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -40 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I102 M103 L109 I110 I143 R146 T147 | I102-A106 PolarHBondContact O-N 3.49Å; M103-A106 PolarHBondContact O-N 2.84Å; A106-L109 PolarHBondContact O-N 3.29Å; A106-I110 WeakPolarHBondContact O-CB 3.47Å; A106-I110 WeakPolarHBondContact O-CD1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.11Å; A106-I110 PolarHBondContact O-N 3.4Å; A106-I143 HydrophobicContact CB-CG2 4.38Å; A106-R146 HydrophobicContact CB-CB 4.29Å; A106-T147 WeakPolarHBondContact CA-OG1 3.42Å; A106-T147 WeakPolarHBondContact CB-OG1 3.41Å |
| 107 | S | 87.3 | Confident | 82.7 | Confident | 37 Ų | 37 | 51.6 Ų | 51.6 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | M103 R104 K105 L109 I110 E111 | M103-S107 PolarHBondContact O-N 3.22Å; M103-S107 PolarHBondContact O-OG 3.21Å; R104-S107 WeakPolarHBondContact O-CB 3.46Å; R104-S107 PolarHBondContact O-N 3.11Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.78Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.01Å; S107-I110 PolarHBondContact O-N 3.19Å; S107-E111 PolarHBondContact O-N 3.15Å; S107-E111 VanDerWaalsContact O-N 3.13Å |
| 108 | V | 91.3 | Very high | 84.3 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | R104 K105 E111 F112 V131 | R104-V108 PolarHBondContact O-N 2.89Å; K105-V108 PolarHBondContact O-N 3.25Å; V108-E111 PolarHBondContact O-N 3.48Å; V108-F112 PolarHBondContact O-N 3.36Å; V108-V131 HydrophobicContact CG1-CG1 3.81Å |
| 109 | L | 94.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 178.6 | -176 | 57.7 | 0 | 0 | 0 | 112.1 | K105 A106 S107 F112 L113 M128 V132 F140 I143 L144 T147 | K105-L109 PolarHBondContact O-N 3.13Å; A106-L109 PolarHBondContact O-N 3.29Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.01Å; L109-F112 HydrophobicContact CD1-CD1 4.11Å; L109-F112 PolarHBondContact O-N 2.96Å; L109-L113 HydrophobicContact CD1-CD1 4.21Å; L109-L113 HydrophobicContact CD1-CG 4.17Å; L109-L113 HydrophobicContact CG-CD1 3.9Å; L109-L113 HydrophobicContact CG-CG 4.32Å; L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.43Å; L109-L113 PolarHBondContact O-N 2.76Å; L109-M128 HydrophobicContact CD1-CB 3.72Å; L109-M128 HydrophobicContact CD1-CG 3.83Å; L109-M128 HydrophobicContact CD1-SD 4.32Å; L109-V132 HydrophobicContact CB-CG2 3.96Å; L109-V132 HydrophobicContact CD1-CG2 4.38Å; L109-V132 HydrophobicContact CD2-CG2 4.13Å; L109-V132 HydrophobicContact CG-CG2 4.38Å; L109-F140 HydrophobicContact CD2-CE2 4.39Å; L109-I143 HydrophobicContact CD2-CG2 4.34Å; L109-L144 HydrophobicContact CD2-CD1 4.19Å; L109-T147 HydrophobicContact CB-CG2 4.27Å; L109-T147 HydrophobicContact CD2-CG2 3.98Å; L109-T147 HydrophobicContact CG-CG2 3.91Å |
| 110 | I | 91.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 175.3 | -73.9 | 163 | 0 | 0 | 0 | 110.4 | A106 S107 F112 L113 L114 T147 R150 L151 F155 | A106-I110 WeakPolarHBondContact O-CB 3.47Å; A106-I110 WeakPolarHBondContact O-CD1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.11Å; A106-I110 PolarHBondContact O-N 3.4Å; S107-I110 PolarHBondContact O-N 3.19Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.42Å; I110-L113 PolarHBondContact O-N 3.45Å; I110-L114 HydrophobicContact CG2-CD1 3.52Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CD1 3.45Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 3.43Å; I110-T147 HydrophobicContact CG1-CG2 3.59Å; I110-R150 HydrophobicContact CD1-CB 3.82Å; I110-R150 HydrophobicContact CD1-CG 3.85Å; I110-L151 HydrophobicContact CG1-CG 4.35Å; I110-L151 HydrophobicContact CG2-CD2 4.3Å; I110-F155 HydrophobicContact CG2-CD2 4.33Å; I110-F155 HydrophobicContact CG2-CE2 3.68Å; I110-F155 HydrophobicContact CG2-CZ 4.33Å |
| 111 | E | 88.5 | Confident | 88.4 | Confident | 112 Ų | 112 | 57.5 Ų | 57.5 | 52% | 0.523 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.6 | -48.6 | 178.9 | -71.9 | 173.2 | -171.2 | 0 | 0 | 111.5 | S107 V108 L113 L114 D115 | S107-E111 PolarHBondContact O-N 3.15Å; S107-E111 VanDerWaalsContact O-N 3.13Å; V108-E111 PolarHBondContact O-N 3.48Å; E111-L113 PolarHBondContact O-N 3.02Å; E111-L114 PolarHBondContact O-N 3.25Å; E111-D115 PolarHBondContact O-N 3.37Å; E111-D115 VanDerWaalsContact O-N 3.1Å |
| 112 | F | 92.8 | Very high | 88.9 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.6 | 171.1 | -108.2 | 0 | 0 | 0 | 113.3 | V108 L109 I110 L114 D115 K116 V123 E127 V131 | V108-F112 PolarHBondContact O-N 3.36Å; L109-F112 HydrophobicContact CD1-CD1 4.11Å; L109-F112 PolarHBondContact O-N 2.96Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.42Å; F112-L114 VanDerWaalsContact C-N 3.35Å; F112-D115 PolarHBondContact O-N 3.38Å; F112-K116 HydrophobicContact CE1-CG 4.29Å; F112-K116 HydrophobicContact CE2-CG 4.25Å; F112-K116 HydrophobicContact CZ-CD 4.45Å; F112-K116 HydrophobicContact CZ-CG 4.06Å; F112-K116 PolarHBondContact O-N 3.32Å; F112-V123 HydrophobicContact CE1-CG2 3.54Å; F112-V123 HydrophobicContact CZ-CG2 4.06Å; F112-E127 HydrophobicContact CZ-CB 4.38Å; F112-V131 HydrophobicContact CB-CG1 3.92Å; F112-V131 HydrophobicContact CB-CG2 4.48Å; F112-V131 HydrophobicContact CD1-CB 4.46Å; F112-V131 HydrophobicContact CD1-CG1 4.47Å; F112-V131 HydrophobicContact CD1-CG2 3.95Å; F112-V131 HydrophobicContact CD2-CG2 3.8Å; F112-V131 HydrophobicContact CE1-CG2 4.01Å; F112-V131 HydrophobicContact CE2-CG2 3.9Å; F112-V131 HydrophobicContact CG-CB 4.44Å; F112-V131 HydrophobicContact CG-CG1 4.13Å; F112-V131 HydrophobicContact CG-CG2 3.82Å; F112-V131 HydrophobicContact CZ-CG2 4Å |
| 113 | L | 93.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -35.4 | -179.8 | -72.7 | 173.6 | 0 | 0 | 0 | 112.4 | L109 I110 E111 D115 K116 F117 V123 M128 T147 L151 L159 L171 | L109-L113 HydrophobicContact CD1-CD1 4.21Å; L109-L113 HydrophobicContact CD1-CG 4.17Å; L109-L113 HydrophobicContact CG-CD1 3.9Å; L109-L113 HydrophobicContact CG-CG 4.32Å; L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.43Å; L109-L113 PolarHBondContact O-N 2.76Å; I110-L113 PolarHBondContact O-N 3.45Å; E111-L113 PolarHBondContact O-N 3.02Å; L113-D115 VanDerWaalsContact C-N 3.31Å; L113-K116 PolarHBondContact O-N 3.44Å; L113-F117 PolarHBondContact O-N 3.5Å; L113-V123 HydrophobicContact CD2-CB 4.35Å; L113-V123 HydrophobicContact CD2-CG1 3.61Å; L113-V123 HydrophobicContact CD2-CG2 4.26Å; L113-M128 HydrophobicContact CD1-SD 4.37Å; L113-M128 HydrophobicContact CD2-CG 4.31Å; L113-M128 HydrophobicContact CD2-SD 3.97Å; L113-T147 HydrophobicContact CD1-CG2 3.64Å; L113-L151 HydrophobicContact CB-CD1 4.43Å; L113-L151 HydrophobicContact CD1-CD1 3.68Å; L113-L159 HydrophobicContact CD1-CD1 4.5Å; L113-L159 HydrophobicContact CD1-CD2 4.32Å; L113-L159 HydrophobicContact CD2-CD1 4.19Å; L113-L171 HydrophobicContact CB-CD2 4.34Å |
| 114 | L | 87.5 | Confident | 89.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 175 | -68.5 | 165.4 | 0 | 0 | 0 | 111.4 | I110 E111 F112 F117 K118 L151 F155 L157 L171 I231 | I110-L114 HydrophobicContact CG2-CD1 3.52Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CD1 3.45Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 3.43Å; E111-L114 PolarHBondContact O-N 3.25Å; F112-L114 VanDerWaalsContact C-N 3.35Å; L114-F117 WeakPolarHBondContact O-CB 3.3Å; L114-F117 PolarHBondContact O-N 2.95Å; L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.07Å; L114-K118 VanDerWaalsContact O-N 3.12Å; L114-L151 HydrophobicContact CD2-CD2 4.04Å; L114-L151 HydrophobicContact CG-CD2 4.33Å; L114-F155 HydrophobicContact CD1-CE2 4.44Å; L114-F155 HydrophobicContact CD1-CZ 4.36Å; L114-F155 HydrophobicContact CD2-CB 4.49Å; L114-F155 HydrophobicContact CD2-CG 4.26Å; L114-L157 HydrophobicContact CD2-CD1 3.6Å; L114-L171 HydrophobicContact CD2-CD2 4.46Å; L114-I231 HydrophobicContact CD1-CD1 3.28Å; L114-I231 HydrophobicContact CD1-CG1 4.39Å; L114-I231 HydrophobicContact CD2-CD1 3.54Å; L114-I231 HydrophobicContact CG-CD1 3.92Å |
| 115 | D | 87.4 | Confident | 90.2 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 173.3 | -71.7 | -23.2 | 0 | 0 | 0 | 111.8 | E111 F112 L113 F117 K118 M119 | E111-D115 PolarHBondContact O-N 3.37Å; E111-D115 VanDerWaalsContact O-N 3.1Å; F112-D115 PolarHBondContact O-N 3.38Å; L113-D115 VanDerWaalsContact C-N 3.31Å; D115-F117 VanDerWaalsContact C-N 3.29Å; D115-F117 PolarHBondContact O-N 3.42Å; D115-K118 PolarHBondContact O-N 3.43Å; D115-K118 IonicContact OD1-NZ 3.53Å; D115-K118 PolarHBondContact OD1-NZ 3.1Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.21Å; D115-M119 VanDerWaalsContact O-N 3.09Å |
| 116 | K | 90.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 171.8 | -73.9 | -73.1 | 179.6 | 174.7 | 0 | 112.6 | F112 L113 M119 K120 E121 | F112-K116 HydrophobicContact CE1-CG 4.29Å; F112-K116 HydrophobicContact CE2-CG 4.25Å; F112-K116 HydrophobicContact CZ-CD 4.45Å; F112-K116 HydrophobicContact CZ-CG 4.06Å; F112-K116 PolarHBondContact O-N 3.32Å; L113-K116 PolarHBondContact O-N 3.44Å; K116-M119 CarbonylContact O-C 3.45Å; K116-M119 PolarHBondContact O-N 3.24Å; K116-K120 PolarHBondContact O-N 2.91Å; K116-E121 HydrophobicContact CD-CB 3.87Å; K116-E121 WeakPolarHBondContact CD-OE2 3.46Å; K116-E121 IonicContact NZ-OE2 2.98Å; K116-E121 PolarHBondContact NZ-OE2 3.19Å; K116-E121 PolarHBondContact O-N 2.92Å |
| 117 | F | 86.8 | Confident | 90.5 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.5 | 179.5 | -91.8 | 0 | 0 | 0 | 112.9 | L113 L114 D115 M119 K120 L157 L171 L189 | L113-F117 PolarHBondContact O-N 3.5Å; L114-F117 WeakPolarHBondContact O-CB 3.3Å; L114-F117 PolarHBondContact O-N 2.95Å; D115-F117 VanDerWaalsContact C-N 3.29Å; D115-F117 PolarHBondContact O-N 3.42Å; F117-M119 VanDerWaalsContact C-N 3.27Å; F117-M119 PolarHBondContact O-N 3.23Å; F117-K120 PolarHBondContact O-N 2.95Å; F117-L157 HydrophobicContact CD2-CD2 4.33Å; F117-L157 HydrophobicContact CE1-CD2 4.42Å; F117-L157 HydrophobicContact CE2-CD2 3.82Å; F117-L157 HydrophobicContact CG-CD1 4.46Å; F117-L157 HydrophobicContact CZ-CD2 3.86Å; F117-L171 HydrophobicContact CB-CB 4.21Å; F117-L171 HydrophobicContact CB-CD2 3.77Å; F117-L171 HydrophobicContact CB-CG 4.35Å; F117-L171 HydrophobicContact CD2-CB 3.89Å; F117-L171 HydrophobicContact CD2-CD2 4.21Å; F117-L171 HydrophobicContact CD2-CG 3.98Å; F117-L171 VanDerWaalsContact CD2-O 3.22Å; F117-L171 WeakPolarHBondContact CD2-O 3.43Å; F117-L171 WeakPolarHBondContact CE2-O 3.16Å; F117-L171 HydrophobicContact CG-CD2 4.22Å; F117-L171 HydrophobicContact CG-CG 4.49Å; F117-L189 HydrophobicContact CD1-CD2 3.33Å; F117-L189 HydrophobicContact CE1-CD2 3.46Å; F117-L189 VanDerWaalsContact CE1-CD2 3.46Å; F117-L189 HydrophobicContact CG-CD2 4.37Å |
| 118 | K | 82.4 | Confident | 90.9 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -40 | 175.8 | -66.9 | 166.6 | -170.3 | 169.5 | 0 | 111.7 | L114 D115 K120 W187 | L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.07Å; L114-K118 VanDerWaalsContact O-N 3.12Å; D115-K118 PolarHBondContact O-N 3.43Å; D115-K118 IonicContact OD1-NZ 3.53Å; D115-K118 PolarHBondContact OD1-NZ 3.1Å; K118-K120 PolarHBondContact O-N 3.1Å; K118-W187 HydrophobicContact CD-CD2 4.47Å; K118-W187 HydrophobicContact CD-CE3 3.43Å; K118-W187 VanDerWaalsContact CD-CE3 3.43Å; K118-W187 HydrophobicContact CD-CZ3 3.59Å; K118-W187 HydrophobicContact CG-CE3 4.36Å |
| 119 | M | 85.7 | Confident | 91.1 | Very high | 132 Ų | 132 | 55.1 Ų | 55.1 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.5 | 176.5 | -58.9 | -55.3 | 179.9 | 0 | 0 | 113.2 | D115 K116 F117 E121 | D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.21Å; D115-M119 VanDerWaalsContact O-N 3.09Å; K116-M119 CarbonylContact O-C 3.45Å; K116-M119 PolarHBondContact O-N 3.24Å; F117-M119 VanDerWaalsContact C-N 3.27Å; F117-M119 PolarHBondContact O-N 3.23Å; M119-E121 HydrophobicContact CB-CB 4.47Å; M119-E121 HydrophobicContact CB-CG 3.85Å; M119-E121 PolarHBondContact O-N 3.3Å |
| 120 | K | 84.9 | Confident | 91 | Very high | 184 Ų | 184 | 58 Ų | 58 | 80% | 0.8 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.2 | -174.6 | -55.9 | -177.1 | 179.4 | -176.9 | 0 | 112.7 | K116 F117 K118 | K116-K120 PolarHBondContact O-N 2.91Å; F117-K120 PolarHBondContact O-N 2.95Å; K118-K120 PolarHBondContact O-N 3.1Å |
| 121 | E | 92.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | trans | -99.9 | 145.1 | -178.3 | -70.2 | -178.1 | 178 | 0 | 0 | 111.8 | K116 M119 | K116-E121 HydrophobicContact CD-CB 3.87Å; K116-E121 WeakPolarHBondContact CD-OE2 3.46Å; K116-E121 IonicContact NZ-OE2 2.98Å; K116-E121 PolarHBondContact NZ-OE2 3.19Å; K116-E121 PolarHBondContact O-N 2.92Å; M119-E121 HydrophobicContact CB-CB 4.47Å; M119-E121 HydrophobicContact CB-CG 3.85Å; M119-E121 PolarHBondContact O-N 3.3Å | ||
| 122 | A | 93.5 | Very high | 91.2 | Very high | 47 Ų | 47 | 55 Ų | 55 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | trans | -73.3 | 158.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I162 Y169 | A122-I162 HydrophobicContact CB-CD1 3.86Å; A122-Y169 CarbonylContact C-O 3.13Å; A122-Y169 VanDerWaalsContact CA-O 3.29Å; A122-Y169 WeakPolarHBondContact CA-O 3.25Å | ||
| 123 | V | 95.6 | Very high | 91 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.3 | -179.2 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | F112 L113 E127 M128 L159 Y169 | F112-V123 HydrophobicContact CE1-CG2 3.54Å; F112-V123 HydrophobicContact CZ-CG2 4.06Å; L113-V123 HydrophobicContact CD2-CB 4.35Å; L113-V123 HydrophobicContact CD2-CG1 3.61Å; L113-V123 HydrophobicContact CD2-CG2 4.26Å; V123-E127 HydrophobicContact CG2-CB 4.18Å; V123-M128 HydrophobicContact CG1-CG 4.44Å; V123-M128 HydrophobicContact CG1-SD 4.3Å; V123-M128 HydrophobicContact CG2-CG 3.64Å; V123-L159 HydrophobicContact CG1-CD1 4.43Å; V123-Y169 PolarHBondContact N-O 3.12Å; V123-Y169 PolarHBondContact O-N 3.39Å |
| 124 | T | 95.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 155.2 | 177.1 | 65 | 0 | 0 | 0 | 0 | 111.6 | S126 E127 M128 H167 | T124-S126 PolarHBondContact O-N 3.32Å; T124-E127 WeakPolarHBondContact CB-OE2 3.38Å; T124-E127 PolarHBondContact N-OE2 2.85Å; T124-E127 PolarHBondContact O-N 3.01Å; T124-E127 VanDerWaalsContact OG1-CG 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.48Å; T124-E127 PolarHBondContact OG1-N 2.91Å; T124-E127 PolarHBondContact OG1-OE2 2.77Å; T124-M128 PolarHBondContact O-N 2.78Å; T124-M128 VanDerWaalsContact O-N 3.1Å; T124-H167 CarbonylContact C-O 3.58Å; T124-H167 WeakPolarHBondContact CA-O 3.43Å |
| 125 | R | 92.9 | Very high | 90.9 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 33% | 0.328 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -54.1 | -38.3 | 172.3 | -168.2 | 179.1 | 178 | 110.6 | -3.2 | 112.7 | M128 L129 F140 H167 Y169 | R125-M128 PolarHBondContact O-N 2.81Å; R125-L129 WeakPolarHBondContact O-CB 3.48Å; R125-L129 PolarHBondContact O-N 3.28Å; R125-F140 HydrophobicContact CG-CE1 3.73Å; R125-F140 HydrophobicContact CG-CZ 4.32Å; R125-H167 HydrophobicContact CB-CB 3.74Å; R125-H167 PolarHBondContact N-O 3.38Å; R125-Y169 HydrophobicContact CB-CE2 4.13Å |
| 126 | S | 92.5 | Very high | 90.9 | Very high | 93 Ų | 93 | 68.8 Ų | 68.8 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | -179.7 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | T124 L129 A130 | T124-S126 PolarHBondContact O-N 3.32Å; S126-L129 PolarHBondContact O-N 2.87Å; S126-A130 WeakPolarHBondContact O-CB 3.44Å; S126-A130 PolarHBondContact O-N 3.39Å |
| 127 | E | 95 | Very high | 90.9 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 174.1 | -72.7 | 167.2 | 119.5 | 0 | 0 | 111.3 | F112 V123 T124 L129 A130 V131 | F112-E127 HydrophobicContact CZ-CB 4.38Å; V123-E127 HydrophobicContact CG2-CB 4.18Å; T124-E127 WeakPolarHBondContact CB-OE2 3.38Å; T124-E127 PolarHBondContact N-OE2 2.85Å; T124-E127 PolarHBondContact O-N 3.01Å; T124-E127 VanDerWaalsContact OG1-CG 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.48Å; T124-E127 PolarHBondContact OG1-N 2.91Å; T124-E127 PolarHBondContact OG1-OE2 2.77Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.38Å; E127-A130 WeakPolarHBondContact O-CB 3.44Å; E127-A130 PolarHBondContact O-N 3.09Å; E127-A130 VanDerWaalsContact O-N 3.13Å; E127-V131 WeakPolarHBondContact O-CG2 3.29Å; E127-V131 PolarHBondContact O-N 3.31Å; E127-V131 VanDerWaalsContact O-N 3.08Å |
| 128 | M | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 176.5 | -67.9 | -167 | -78.4 | 0 | 0 | 111.9 | L109 L113 V123 T124 R125 A130 V131 V132 F140 L144 L159 Y169 | L109-M128 HydrophobicContact CD1-CB 3.72Å; L109-M128 HydrophobicContact CD1-CG 3.83Å; L109-M128 HydrophobicContact CD1-SD 4.32Å; L113-M128 HydrophobicContact CD1-SD 4.37Å; L113-M128 HydrophobicContact CD2-CG 4.31Å; L113-M128 HydrophobicContact CD2-SD 3.97Å; V123-M128 HydrophobicContact CG1-CG 4.44Å; V123-M128 HydrophobicContact CG1-SD 4.3Å; V123-M128 HydrophobicContact CG2-CG 3.64Å; T124-M128 PolarHBondContact O-N 2.78Å; T124-M128 VanDerWaalsContact O-N 3.1Å; R125-M128 PolarHBondContact O-N 2.81Å; M128-A130 VanDerWaalsContact C-N 3.35Å; M128-V131 PolarHBondContact O-N 3.22Å; M128-V132 WeakPolarHBondContact O-CG2 3.19Å; M128-V132 PolarHBondContact O-N 3.37Å; M128-V132 VanDerWaalsContact O-N 3.15Å; M128-F140 HydrophobicContact CB-CE2 3.94Å; M128-F140 HydrophobicContact CB-CZ 3.65Å; M128-L144 HydrophobicContact CE-CD1 4.13Å; M128-L144 HydrophobicContact SD-CD1 3.85Å; M128-L159 HydrophobicContact SD-CD2 4.16Å; M128-Y169 HydrophobicContact CE-CD2 3.33Å; M128-Y169 HydrophobicContact CE-CE2 3.56Å; M128-Y169 HydrophobicContact CE-CG 4.07Å |
| 129 | L | 94.1 | Very high | 91.7 | Very high | 32 Ų | 32 | 82.7 Ų | 82.7 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.5 | -35 | 177.2 | -178.8 | 61.2 | 0 | 0 | 0 | 112.3 | R125 S126 E127 V132 N133 K137 F140 | R125-L129 WeakPolarHBondContact O-CB 3.48Å; R125-L129 PolarHBondContact O-N 3.28Å; S126-L129 PolarHBondContact O-N 2.87Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.38Å; L129-V132 PolarHBondContact O-N 2.98Å; L129-N133 CarbonylContact O-C 3.38Å; L129-N133 PolarHBondContact O-N 3.36Å; L129-K137 HydrophobicContact CD1-CB 4.42Å; L129-K137 HydrophobicContact CD2-CB 4.36Å; L129-K137 HydrophobicContact CD2-CG 4.09Å; L129-F140 HydrophobicContact CB-CD2 4.17Å; L129-F140 HydrophobicContact CB-CE2 4.09Å; L129-F140 HydrophobicContact CD1-CB 3.97Å; L129-F140 HydrophobicContact CD1-CD2 3.63Å; L129-F140 HydrophobicContact CD1-CE2 4.38Å; L129-F140 HydrophobicContact CD1-CG 3.9Å |
| 130 | A | 94 | Very high | 92 | Very high | 62 Ų | 62 | 76.5 Ų | 76.5 | 51% | 0.512 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S126 E127 M128 N133 | S126-A130 WeakPolarHBondContact O-CB 3.44Å; S126-A130 PolarHBondContact O-N 3.39Å; E127-A130 WeakPolarHBondContact O-CB 3.44Å; E127-A130 PolarHBondContact O-N 3.09Å; E127-A130 VanDerWaalsContact O-N 3.13Å; M128-A130 VanDerWaalsContact C-N 3.35Å; A130-N133 PolarHBondContact O-N 3.01Å |
| 131 | V | 93.7 | Very high | 92.4 | Very high | 51 Ų | 51 | 71 Ų | 71 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.6 | 169.6 | 0 | 0 | 0 | 0 | 112 | V108 F112 E127 M128 N133 | V108-V131 HydrophobicContact CG1-CG1 3.81Å; F112-V131 HydrophobicContact CB-CG1 3.92Å; F112-V131 HydrophobicContact CB-CG2 4.48Å; F112-V131 HydrophobicContact CD1-CB 4.46Å; F112-V131 HydrophobicContact CD1-CG1 4.47Å; F112-V131 HydrophobicContact CD1-CG2 3.95Å; F112-V131 HydrophobicContact CD2-CG2 3.8Å; F112-V131 HydrophobicContact CE1-CG2 4.01Å; F112-V131 HydrophobicContact CE2-CG2 3.9Å; F112-V131 HydrophobicContact CG-CB 4.44Å; F112-V131 HydrophobicContact CG-CG1 4.13Å; F112-V131 HydrophobicContact CG-CG2 3.82Å; F112-V131 HydrophobicContact CZ-CG2 4Å; E127-V131 WeakPolarHBondContact O-CG2 3.29Å; E127-V131 PolarHBondContact O-N 3.31Å; E127-V131 VanDerWaalsContact O-N 3.08Å; M128-V131 PolarHBondContact O-N 3.22Å; V131-N133 VanDerWaalsContact C-N 3.25Å; V131-N133 PolarHBondContact O-N 2.99Å |
| 132 | V | 90.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.1 | -31.4 | 177.8 | 166.4 | 0 | 0 | 0 | 0 | 112.1 | K105 L109 M128 L129 Y136 F140 I143 | K105-V132 HydrophobicContact CB-CG1 4.03Å; K105-V132 HydrophobicContact CD-CG1 4.38Å; K105-V132 WeakPolarHBondContact CD-O 3.46Å; K105-V132 WeakPolarHBondContact CE-O 3.24Å; K105-V132 HydrophobicContact CG-CG1 4.23Å; K105-V132 PolarHBondContact NZ-O 3.28Å; L109-V132 HydrophobicContact CB-CG2 3.96Å; L109-V132 HydrophobicContact CD1-CG2 4.38Å; L109-V132 HydrophobicContact CD2-CG2 4.13Å; L109-V132 HydrophobicContact CG-CG2 4.38Å; M128-V132 WeakPolarHBondContact O-CG2 3.19Å; M128-V132 PolarHBondContact O-N 3.37Å; M128-V132 VanDerWaalsContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 2.98Å; V132-Y136 HydrophobicContact CG1-CD2 4.09Å; V132-Y136 HydrophobicContact CG1-CG 4.1Å; V132-F140 HydrophobicContact CG2-CD2 4.49Å; V132-F140 HydrophobicContact CG2-CE2 4.33Å; V132-I143 HydrophobicContact CG1-CD1 3.67Å; V132-I143 HydrophobicContact CG1-CG2 4.49Å; V132-I143 HydrophobicContact CG2-CG2 4.04Å |
| 133 | N | 88.3 | Confident | 92.3 | Very high | 74 Ų | 74 | 67.3 Ų | 67.3 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | trans | 97.6 | 130.3 | -167.9 | -171.1 | -42.1 | 0 | 0 | 0 | 112.6 | L129 A130 V131 K135 Y136 | L129-N133 CarbonylContact O-C 3.38Å; L129-N133 PolarHBondContact O-N 3.36Å; A130-N133 PolarHBondContact O-N 3.01Å; V131-N133 VanDerWaalsContact C-N 3.25Å; V131-N133 PolarHBondContact O-N 2.99Å; N133-K135 HydrophobicContact CB-CG 4.41Å; N133-K135 PolarHBondContact O-N 3.38Å; N133-K135 WeakPolarHBondContact OD1-CG 3.14Å; N133-K135 PolarHBondContact OD1-N 3.47Å; N133-Y136 HydrophobicContact CB-CD2 4.18Å; N133-Y136 HydrophobicContact CB-CE2 4.46Å; N133-Y136 PolarHBondContact O-N 3.37Å | ||
| 134 | K | 87.3 | Confident | 92.1 | Very high | 162 Ų | 162 | 68.2 Ų | 68.2 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -54.8 | -24.7 | -179.1 | -67 | -175.4 | 178.9 | 179.7 | 0 | 114.3 | Y136 K137 | K134-Y136 PolarHBondContact O-N 3.18Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 3.33Å; K134-K137 VanDerWaalsContact O-N 3.14Å |
| 135 | K | 90.1 | Very high | 91.9 | Very high | 149 Ų | 149 | 72.8 Ų | 72.8 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -63.6 | -18.4 | 176.7 | 76.5 | -176.1 | -177.3 | 172.2 | 0 | 114.1 | N133 | N133-K135 HydrophobicContact CB-CG 4.41Å; N133-K135 PolarHBondContact O-N 3.38Å; N133-K135 WeakPolarHBondContact OD1-CG 3.14Å; N133-K135 PolarHBondContact OD1-N 3.47Å |
| 136 | Y | 88.6 | Confident | 91.6 | Very high | 35 Ų | 35 | 71.5 Ų | 71.5 | 14% | 0.137 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -95.3 | 17.8 | 176.9 | -64.4 | -87.6 | 0 | 0 | 0 | 112.9 | K105 V132 N133 K134 E138 Q139 F140 I143 | K105-Y136 HydrophobicContact CD-CD2 4.48Å; K105-Y136 HydrophobicContact CD-CE2 4.12Å; K105-Y136 HydrophobicContact CG-CD1 4.38Å; K105-Y136 HydrophobicContact CG-CD2 4.28Å; K105-Y136 HydrophobicContact CG-CE1 4.17Å; K105-Y136 HydrophobicContact CG-CE2 4.05Å; K105-Y136 HydrophobicContact CG-CG 4.46Å; V132-Y136 HydrophobicContact CG1-CD2 4.09Å; V132-Y136 HydrophobicContact CG1-CG 4.1Å; N133-Y136 HydrophobicContact CB-CD2 4.18Å; N133-Y136 HydrophobicContact CB-CE2 4.46Å; N133-Y136 PolarHBondContact O-N 3.37Å; K134-Y136 PolarHBondContact O-N 3.18Å; Y136-E138 VanDerWaalsContact C-N 3.26Å; Y136-E138 PolarHBondContact O-N 3.36Å; Y136-Q139 CarbonylContact O-C 3.35Å; Y136-Q139 PolarHBondContact O-N 3.46Å; Y136-F140 WeakPolarHBondContact O-CB 3.34Å; Y136-F140 PolarHBondContact O-N 3.5Å; Y136-I143 HydrophobicContact CD1-CD1 4.08Å; Y136-I143 HydrophobicContact CG-CD1 4.11Å |
| 137 | K | 90.6 | Very high | 91.6 | Very high | 150 Ų | 150 | 67.1 Ų | 67.1 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -42.6 | -176 | -175.2 | -179.7 | 178.2 | -171.5 | 0 | 113.3 | L129 K134 F140 | L129-K137 HydrophobicContact CD1-CB 4.42Å; L129-K137 HydrophobicContact CD2-CB 4.36Å; L129-K137 HydrophobicContact CD2-CG 4.09Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 3.33Å; K134-K137 VanDerWaalsContact O-N 3.14Å; K137-F140 WeakPolarHBondContact O-CB 3.44Å |
| 138 | E | 92.3 | Very high | 91.4 | Very high | 182 Ų | 182 | 64.9 Ų | 64.9 | 85% | 0.85 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -34.8 | 179 | -64.8 | 176.1 | -177.4 | 0 | 0 | 112.6 | Y136 F140 P141 | Y136-E138 VanDerWaalsContact C-N 3.26Å; Y136-E138 PolarHBondContact O-N 3.36Å; E138-F140 VanDerWaalsContact C-N 3.34Å; E138-P141 WeakPolarHBondContact O-CD 3.35Å |
| 139 | Q | 93.3 | Very high | 90.9 | Very high | 87 Ų | 87 | 66 Ų | 66 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.2 | -178.9 | -64.6 | 162.9 | 22 | 0 | 0 | 112.3 | I102 Y136 P141 E142 I143 | I102-Q139 HydrophobicContact CD1-CB 3.82Å; I102-Q139 HydrophobicContact CD1-CG 4.13Å; Y136-Q139 CarbonylContact O-C 3.35Å; Y136-Q139 PolarHBondContact O-N 3.46Å; Q139-P141 VanDerWaalsContact C-CD 3.43Å; Q139-E142 PolarHBondContact O-N 2.61Å; Q139-I143 HydrophobicContact CB-CD1 4.33Å; Q139-I143 WeakPolarHBondContact O-CG1 3.38Å; Q139-I143 PolarHBondContact O-N 3.29Å |
| 140 | F | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.7 | -40.3 | -176.2 | -176.4 | -97.2 | 0 | 0 | 0 | 113.5 | L109 R125 M128 L129 V132 Y136 K137 E138 E142 I143 L144 | L109-F140 HydrophobicContact CD2-CE2 4.39Å; R125-F140 HydrophobicContact CG-CE1 3.73Å; R125-F140 HydrophobicContact CG-CZ 4.32Å; M128-F140 HydrophobicContact CB-CE2 3.94Å; M128-F140 HydrophobicContact CB-CZ 3.65Å; L129-F140 HydrophobicContact CB-CD2 4.17Å; L129-F140 HydrophobicContact CB-CE2 4.09Å; L129-F140 HydrophobicContact CD1-CB 3.97Å; L129-F140 HydrophobicContact CD1-CD2 3.63Å; L129-F140 HydrophobicContact CD1-CE2 4.38Å; L129-F140 HydrophobicContact CD1-CG 3.9Å; V132-F140 HydrophobicContact CG2-CD2 4.49Å; V132-F140 HydrophobicContact CG2-CE2 4.33Å; Y136-F140 WeakPolarHBondContact O-CB 3.34Å; Y136-F140 PolarHBondContact O-N 3.5Å; K137-F140 WeakPolarHBondContact O-CB 3.44Å; E138-F140 VanDerWaalsContact C-N 3.34Å; F140-E142 VanDerWaalsContact C-N 3.29Å; F140-E142 PolarHBondContact O-N 3.44Å; F140-I143 PolarHBondContact O-N 2.95Å; F140-L144 HydrophobicContact CE1-CB 4.27Å; F140-L144 HydrophobicContact CE1-CD2 4.06Å; F140-L144 HydrophobicContact CZ-CB 4.46Å; F140-L144 HydrophobicContact CZ-CD1 4.41Å; F140-L144 VanDerWaalsContact O-CB 3.3Å; F140-L144 WeakPolarHBondContact O-CB 3.45Å; F140-L144 PolarHBondContact O-N 3.06Å |
| 141 | P | 92.6 | Very high | 90.1 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.8 | -41.9 | 174.6 | -25 | 35.7 | 0 | 0 | 0 | 112.9 | E138 Q139 L144 R145 | E138-P141 WeakPolarHBondContact O-CD 3.35Å; Q139-P141 VanDerWaalsContact C-CD 3.43Å; P141-L144 PolarHBondContact O-N 2.83Å; P141-R145 WeakPolarHBondContact O-CB 3.19Å; P141-R145 PolarHBondContact O-N 2.86Å |
| 142 | E | 90.3 | Very high | 89.6 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 29% | 0.29 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.2 | -38.7 | 178.5 | 178.3 | 57.4 | -164.3 | 0 | 0 | 111.8 | I102 Q139 F140 L144 R145 R146 | I102-E142 HydrophobicContact CG2-CG 4.08Å; Q139-E142 PolarHBondContact O-N 2.61Å; F140-E142 VanDerWaalsContact C-N 3.29Å; F140-E142 PolarHBondContact O-N 3.44Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 IonicContact OE1-CZ 2.7Å; E142-R145 IonicContact OE1-NE 2.73Å; E142-R145 IonicContact OE1-NH2 3.61Å; E142-R145 PolarHBondContact OE1-NH2 2.97Å; E142-R145 IonicContact OE2-CZ 3.63Å; E142-R145 IonicContact OE2-NE 3.71Å; E142-R145 PolarHBondContact OE2-NE 3.1Å; E142-R145 IonicContact OE2-NH2 2.81Å; E142-R146 WeakPolarHBondContact O-CG 3.43Å; E142-R146 PolarHBondContact O-N 3.42Å; E142-R146 IonicContact OE1-CZ 2.72Å; E142-R146 IonicContact OE1-NE 3.45Å; E142-R146 PolarHBondContact OE1-NE 3.43Å; E142-R146 IonicContact OE1-NH2 2.61Å |
| 143 | I | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -47 | 173.2 | -65.7 | 168.2 | 0 | 0 | 0 | 110.2 | I102 K105 A106 L109 V132 Y136 Q139 F140 R146 T147 | I102-I143 HydrophobicContact CB-CG1 4.48Å; I102-I143 HydrophobicContact CD1-CD1 4.4Å; I102-I143 HydrophobicContact CD1-CG1 4.19Å; I102-I143 HydrophobicContact CG2-CG1 3.69Å; K105-I143 HydrophobicContact CB-CD1 3.87Å; K105-I143 HydrophobicContact CB-CG1 4.3Å; K105-I143 HydrophobicContact CB-CG2 4.2Å; K105-I143 HydrophobicContact CG-CD1 4.44Å; A106-I143 HydrophobicContact CB-CG2 4.38Å; L109-I143 HydrophobicContact CD2-CG2 4.34Å; V132-I143 HydrophobicContact CG1-CD1 3.67Å; V132-I143 HydrophobicContact CG1-CG2 4.49Å; V132-I143 HydrophobicContact CG2-CG2 4.04Å; Y136-I143 HydrophobicContact CD1-CD1 4.08Å; Y136-I143 HydrophobicContact CG-CD1 4.11Å; Q139-I143 HydrophobicContact CB-CD1 4.33Å; Q139-I143 WeakPolarHBondContact O-CG1 3.38Å; Q139-I143 PolarHBondContact O-N 3.29Å; F140-I143 PolarHBondContact O-N 2.95Å; I143-R146 PolarHBondContact O-N 2.99Å; I143-T147 VanDerWaalsContact O-CB 3.32Å; I143-T147 WeakPolarHBondContact O-CB 3.36Å; I143-T147 PolarHBondContact O-N 3.26Å; I143-T147 PolarHBondContact O-OG1 3.48Å |
| 144 | L | 92.5 | Very high | 88.8 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 178.8 | -173.4 | 65.2 | 0 | 0 | 0 | 110.7 | L109 M128 F140 P141 E142 R146 T147 S148 L159 | L109-L144 HydrophobicContact CD2-CD1 4.19Å; M128-L144 HydrophobicContact CE-CD1 4.13Å; M128-L144 HydrophobicContact SD-CD1 3.85Å; F140-L144 HydrophobicContact CE1-CB 4.27Å; F140-L144 HydrophobicContact CE1-CD2 4.06Å; F140-L144 HydrophobicContact CZ-CB 4.46Å; F140-L144 HydrophobicContact CZ-CD1 4.41Å; F140-L144 VanDerWaalsContact O-CB 3.3Å; F140-L144 WeakPolarHBondContact O-CB 3.45Å; F140-L144 PolarHBondContact O-N 3.06Å; P141-L144 PolarHBondContact O-N 2.83Å; E142-L144 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 2.9Å; L144-T147 WeakPolarHBondContact O-CB 3.32Å; L144-T147 PolarHBondContact O-N 2.81Å; L144-S148 PolarHBondContact O-N 2.7Å; L144-S148 PolarHBondContact O-OG 2.95Å; L144-S148 VanDerWaalsContact O-OG 3.13Å; L144-L159 HydrophobicContact CD1-CD2 3.69Å |
| 145 | R | 90.3 | Very high | 88.4 | Confident | 137 Ų | 137 | 53.2 Ų | 53.2 | 52% | 0.517 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.3 | -48.5 | 176.7 | -170.2 | -165.2 | 69.2 | 78.6 | 0.1 | 111.8 | P141 E142 T147 S148 A149 | P141-R145 WeakPolarHBondContact O-CB 3.19Å; P141-R145 PolarHBondContact O-N 2.86Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 IonicContact OE1-CZ 2.7Å; E142-R145 IonicContact OE1-NE 2.73Å; E142-R145 IonicContact OE1-NH2 3.61Å; E142-R145 PolarHBondContact OE1-NH2 2.97Å; E142-R145 IonicContact OE2-CZ 3.63Å; E142-R145 IonicContact OE2-NE 3.71Å; E142-R145 PolarHBondContact OE2-NE 3.1Å; E142-R145 IonicContact OE2-NH2 2.81Å; R145-T147 VanDerWaalsContact C-N 3.35Å; R145-S148 PolarHBondContact O-N 2.7Å; R145-A149 WeakPolarHBondContact O-CB 3.47Å; R145-A149 PolarHBondContact O-N 3.42Å |
| 146 | R | 88.1 | Confident | 88 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.4 | -35.9 | 178 | -68.6 | -173 | -173.3 | -166.3 | 5.4 | 112.7 | D100 A106 E142 I143 L144 R150 | D100-R146 IonicContact OD1-NH1 3.5Å; D100-R146 IonicContact OD2-CZ 3.53Å; D100-R146 IonicContact OD2-NH1 3.59Å; D100-R146 PolarHBondContact OD2-NH1 2.88Å; D100-R146 IonicContact OD2-NH2 2.78Å; D100-R146 PolarHBondContact OD2-NH2 3.09Å; A106-R146 HydrophobicContact CB-CB 4.29Å; E142-R146 WeakPolarHBondContact O-CG 3.43Å; E142-R146 PolarHBondContact O-N 3.42Å; E142-R146 IonicContact OE1-CZ 2.72Å; E142-R146 IonicContact OE1-NE 3.45Å; E142-R146 PolarHBondContact OE1-NE 3.43Å; E142-R146 IonicContact OE1-NH2 2.61Å; I143-R146 PolarHBondContact O-N 2.99Å; L144-R146 PolarHBondContact O-N 2.9Å; R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 PolarHBondContact O-N 3Å |
| 147 | T | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -52.9 | 174.6 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | A106 L109 I110 L113 I143 L144 R145 A149 R150 L151 | A106-T147 WeakPolarHBondContact CA-OG1 3.42Å; A106-T147 WeakPolarHBondContact CB-OG1 3.41Å; L109-T147 HydrophobicContact CB-CG2 4.27Å; L109-T147 HydrophobicContact CD2-CG2 3.98Å; L109-T147 HydrophobicContact CG-CG2 3.91Å; I110-T147 HydrophobicContact CG1-CG2 3.59Å; L113-T147 HydrophobicContact CD1-CG2 3.64Å; I143-T147 VanDerWaalsContact O-CB 3.32Å; I143-T147 WeakPolarHBondContact O-CB 3.36Å; I143-T147 PolarHBondContact O-N 3.26Å; I143-T147 PolarHBondContact O-OG1 3.48Å; L144-T147 WeakPolarHBondContact O-CB 3.32Å; L144-T147 PolarHBondContact O-N 2.81Å; R145-T147 VanDerWaalsContact C-N 3.35Å; T147-A149 PolarHBondContact O-N 3.02Å; T147-R150 PolarHBondContact O-N 3.41Å; T147-L151 HydrophobicContact CG2-CD1 3.76Å; T147-L151 HydrophobicContact CG2-CG 4.35Å; T147-L151 WeakPolarHBondContact O-CB 3.49Å; T147-L151 WeakPolarHBondContact O-CG 3.31Å; T147-L151 PolarHBondContact O-N 3.09Å |
| 148 | S | 90 | Very high | 87.7 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | L144 R145 R150 L151 E152 | L144-S148 PolarHBondContact O-N 2.7Å; L144-S148 PolarHBondContact O-OG 2.95Å; L144-S148 VanDerWaalsContact O-OG 3.13Å; R145-S148 PolarHBondContact O-N 2.7Å; S148-R150 VanDerWaalsContact C-N 3.33Å; S148-R150 PolarHBondContact O-N 3.11Å; S148-L151 PolarHBondContact O-N 3.27Å; S148-E152 WeakPolarHBondContact O-CG 3.3Å; S148-E152 PolarHBondContact O-N 2.77Å |
| 149 | A | 85.3 | Confident | 87.7 | Confident | 25 Ų | 25 | 32.2 Ų | 32.2 | 21% | 0.207 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R145 T147 E152 L153 | R145-A149 WeakPolarHBondContact O-CB 3.47Å; R145-A149 PolarHBondContact O-N 3.42Å; T147-A149 PolarHBondContact O-N 3.02Å; A149-E152 PolarHBondContact O-N 3.35Å; A149-L153 VanDerWaalsContact O-CB 3.26Å; A149-L153 WeakPolarHBondContact O-CB 3.49Å; A149-L153 PolarHBondContact O-N 2.96Å |
| 150 | R | 84.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 17% | 0.17 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.2 | -34.2 | 178.6 | -168.1 | 165.8 | 175.7 | -121.5 | -0.8 | 112.4 | I110 R146 T147 S148 E152 V154 V221 | I110-R150 HydrophobicContact CD1-CB 3.82Å; I110-R150 HydrophobicContact CD1-CG 3.85Å; R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 PolarHBondContact O-N 3Å; T147-R150 PolarHBondContact O-N 3.41Å; S148-R150 VanDerWaalsContact C-N 3.33Å; S148-R150 PolarHBondContact O-N 3.11Å; R150-E152 VanDerWaalsContact C-N 3.31Å; R150-V154 HydrophobicContact CG-CB 4.33Å; R150-V154 HydrophobicContact CG-CG2 3.78Å; R150-V154 VanDerWaalsContact O-CB 3.29Å; R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 PolarHBondContact O-N 2.83Å; R150-V221 VanDerWaalsContact CZ-O 3.22Å; R150-V221 PolarHBondContact NE-O 3.27Å; R150-V221 PolarHBondContact NH2-O 3.45Å |
| 151 | L | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 170.1 | -76 | 169.1 | 0 | 0 | 0 | 111.6 | I110 L113 L114 T147 S148 F155 G156 L157 L171 | I110-L151 HydrophobicContact CG1-CG 4.35Å; I110-L151 HydrophobicContact CG2-CD2 4.3Å; L113-L151 HydrophobicContact CB-CD1 4.43Å; L113-L151 HydrophobicContact CD1-CD1 3.68Å; L114-L151 HydrophobicContact CD2-CD2 4.04Å; L114-L151 HydrophobicContact CG-CD2 4.33Å; T147-L151 HydrophobicContact CG2-CD1 3.76Å; T147-L151 HydrophobicContact CG2-CG 4.35Å; T147-L151 WeakPolarHBondContact O-CB 3.49Å; T147-L151 WeakPolarHBondContact O-CG 3.31Å; T147-L151 PolarHBondContact O-N 3.09Å; S148-L151 PolarHBondContact O-N 3.27Å; L151-F155 HydrophobicContact CD2-CD2 4.02Å; L151-F155 CarbonylContact O-C 3.54Å; L151-F155 WeakPolarHBondContact O-CA 3.5Å; L151-F155 WeakPolarHBondContact O-CB 3.38Å; L151-F155 PolarHBondContact O-N 3.16Å; L151-F155 VanDerWaalsContact O-N 3.15Å; L151-G156 PolarHBondContact O-N 2.91Å; L151-L157 CarbonylContact C-O 3.59Å; L151-L157 HydrophobicContact CB-CB 4.49Å; L151-L157 PolarHBondContact O-N 2.8Å; L151-L171 HydrophobicContact CD1-CD1 3.85Å; L151-L171 HydrophobicContact CD2-CD1 4.41Å; L151-L171 HydrophobicContact CD2-CD2 4.09Å; L151-L171 HydrophobicContact CG-CD1 4.49Å |
| 152 | E | 84.5 | Confident | 87.6 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.9 | -49.8 | 179.1 | -70.3 | -172.8 | -170.3 | 0 | 0 | 112.4 | S148 A149 R150 G156 L157 K174 V285 | S148-E152 WeakPolarHBondContact O-CG 3.3Å; S148-E152 PolarHBondContact O-N 2.77Å; A149-E152 PolarHBondContact O-N 3.35Å; R150-E152 VanDerWaalsContact C-N 3.31Å; E152-G156 VanDerWaalsContact O-CA 3.27Å; E152-G156 WeakPolarHBondContact O-CA 3.49Å; E152-G156 PolarHBondContact O-N 3.04Å; E152-L157 VanDerWaalsContact CA-O 3.23Å; E152-L157 WeakPolarHBondContact CA-O 3.24Å; E152-L157 WeakPolarHBondContact CG-O 3.33Å; E152-L157 PolarHBondContact N-O 2.88Å; E152-L157 VanDerWaalsContact N-O 3.08Å; E152-K174 HydrophobicContact CG-CD 4.17Å; E152-K174 IonicContact OE1-NZ 3.4Å; E152-K174 PolarHBondContact OE1-NZ 3.43Å; E152-K174 IonicContact OE2-NZ 3.48Å; E152-K174 PolarHBondContact OE2-NZ 3.08Å; E152-V285 HydrophobicContact CB-CG2 4.4Å |
| 153 | L | 80.1 | Confident | 87.6 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -54 | -174.9 | -176.4 | 67.9 | 0 | 0 | 0 | 111.4 | A149 G193 S197 V221 V285 | A149-L153 VanDerWaalsContact O-CB 3.26Å; A149-L153 WeakPolarHBondContact O-CB 3.49Å; A149-L153 PolarHBondContact O-N 2.96Å; L153-G193 CarbonylContact O-C 3.47Å; L153-S197 WeakPolarHBondContact CD1-OG 3.45Å; L153-S197 WeakPolarHBondContact CG-OG 3.06Å; L153-S197 PolarHBondContact O-OG 3.15Å; L153-V221 HydrophobicContact CD2-CG1 4.16Å; L153-V285 HydrophobicContact CB-CG1 4.01Å; L153-V285 HydrophobicContact CB-CG2 4.13Å; L153-V285 HydrophobicContact CD1-CG1 4.14Å; L153-V285 HydrophobicContact CD1-CG2 4.1Å; L153-V285 HydrophobicContact CD2-CG1 4.35Å; L153-V285 HydrophobicContact CG-CG1 4.39Å |
| 154 | V | 80.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -85 | -45.2 | -170.7 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | R150 G193 L194 V221 F232 | R150-V154 HydrophobicContact CG-CB 4.33Å; R150-V154 HydrophobicContact CG-CG2 3.78Å; R150-V154 VanDerWaalsContact O-CB 3.29Å; R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 PolarHBondContact O-N 2.83Å; V154-G193 CarbonylContact O-C 3.59Å; V154-L194 HydrophobicContact CG1-CD1 4.44Å; V154-L194 PolarHBondContact O-N 2.82Å; V154-V221 HydrophobicContact CG2-CB 3.81Å; V154-V221 HydrophobicContact CG2-CG1 4.27Å; V154-V221 HydrophobicContact CG2-CG2 4.22Å; V154-F232 HydrophobicContact CG1-CE2 3.46Å; V154-F232 VanDerWaalsContact CG1-CE2 3.46Å; V154-F232 HydrophobicContact CG1-CZ 3.68Å; V154-F232 VanDerWaalsContact O-CZ 3.31Å; V154-F232 WeakPolarHBondContact O-CZ 3.35Å |
| 155 | F | 79.2 | Confident | 87.3 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -99.3 | -10.1 | -170.2 | -56.3 | -65 | 0 | 0 | 0 | 113.5 | I110 L114 L151 L157 H229 I231 F232 | I110-F155 HydrophobicContact CG2-CD2 4.33Å; I110-F155 HydrophobicContact CG2-CE2 3.68Å; I110-F155 HydrophobicContact CG2-CZ 4.33Å; L114-F155 HydrophobicContact CD1-CE2 4.44Å; L114-F155 HydrophobicContact CD1-CZ 4.36Å; L114-F155 HydrophobicContact CD2-CB 4.49Å; L114-F155 HydrophobicContact CD2-CG 4.26Å; L151-F155 HydrophobicContact CD2-CD2 4.02Å; L151-F155 CarbonylContact O-C 3.54Å; L151-F155 WeakPolarHBondContact O-CA 3.5Å; L151-F155 WeakPolarHBondContact O-CB 3.38Å; L151-F155 PolarHBondContact O-N 3.16Å; L151-F155 VanDerWaalsContact O-N 3.15Å; F155-L157 HydrophobicContact CB-CB 4.42Å; F155-L157 HydrophobicContact CB-CD1 3.94Å; F155-L157 HydrophobicContact CB-CG 3.96Å; F155-L157 PolarHBondContact O-N 3.16Å; F155-H229 AromaticContact CE1-CE1 3.49Å; F155-H229 VanDerWaalsContact CE1-CE1 3.49Å; F155-H229 WeakPolarHBondContact CE1-CE1 3.35Å; F155-H229 AromaticContact CZ-CE1 3.58Å; F155-H229 AromaticContact CZ-NE2 4Å; F155-I231 HydrophobicContact CD1-CB 4.22Å; F155-I231 HydrophobicContact CD1-CD1 3.19Å; F155-I231 HydrophobicContact CD1-CG1 4.2Å; F155-I231 HydrophobicContact CD1-CG2 4.1Å; F155-I231 HydrophobicContact CE1-CB 3.95Å; F155-I231 HydrophobicContact CE1-CD1 3.17Å; F155-I231 HydrophobicContact CE1-CG1 3.93Å; F155-I231 HydrophobicContact CE1-CG2 4.31Å; F155-I231 HydrophobicContact CG-CD1 4.07Å; F155-I231 HydrophobicContact CZ-CD1 4.01Å; F155-F232 AromaticContact CD1-CE2 3.98Å; F155-F232 HydrophobicContact CD1-CE2 3.98Å; F155-F232 AromaticContact CD1-CZ 3.68Å; F155-F232 HydrophobicContact CD1-CZ 3.68Å; F155-F232 AromaticContact CE1-CE2 3.47Å; F155-F232 HydrophobicContact CE1-CE2 3.47Å; F155-F232 VanDerWaalsContact CE1-CE2 3.47Å; F155-F232 AromaticContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CZ-CE2 4.34Å |
| 156 | G | 81.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 64.7 | 27.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L151 E152 K174 | L151-G156 PolarHBondContact O-N 2.91Å; E152-G156 VanDerWaalsContact O-CA 3.27Å; E152-G156 WeakPolarHBondContact O-CA 3.49Å; E152-G156 PolarHBondContact O-N 3.04Å; G156-K174 PolarHBondContact O-N 3.36Å | ||
| 157 | L | 85.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137 | -176.5 | -60 | 177.2 | 0 | 0 | 0 | 110.8 | L114 F117 L151 E152 F155 L171 V172 L189 P190 | L114-L157 HydrophobicContact CD2-CD1 3.6Å; F117-L157 HydrophobicContact CD2-CD2 4.33Å; F117-L157 HydrophobicContact CE1-CD2 4.42Å; F117-L157 HydrophobicContact CE2-CD2 3.82Å; F117-L157 HydrophobicContact CG-CD1 4.46Å; F117-L157 HydrophobicContact CZ-CD2 3.86Å; L151-L157 CarbonylContact C-O 3.59Å; L151-L157 HydrophobicContact CB-CB 4.49Å; L151-L157 PolarHBondContact O-N 2.8Å; E152-L157 VanDerWaalsContact CA-O 3.23Å; E152-L157 WeakPolarHBondContact CA-O 3.24Å; E152-L157 WeakPolarHBondContact CG-O 3.33Å; E152-L157 PolarHBondContact N-O 2.88Å; E152-L157 VanDerWaalsContact N-O 3.08Å; F155-L157 HydrophobicContact CB-CB 4.42Å; F155-L157 HydrophobicContact CB-CD1 3.94Å; F155-L157 HydrophobicContact CB-CG 3.96Å; F155-L157 PolarHBondContact O-N 3.16Å; L157-L171 HydrophobicContact CB-CD1 3.79Å; L157-L171 HydrophobicContact CB-CD2 4.17Å; L157-L171 HydrophobicContact CB-CG 3.87Å; L157-L171 HydrophobicContact CD1-CD2 3.54Å; L157-L171 HydrophobicContact CD1-CG 4.03Å; L157-L171 HydrophobicContact CG-CD2 4.43Å; L157-L171 HydrophobicContact CG-CG 4.44Å; L157-V172 CarbonylContact C-O 3.59Å; L157-V172 VanDerWaalsContact CA-O 3.31Å; L157-V172 WeakPolarHBondContact CA-O 3.07Å; L157-L189 HydrophobicContact CD1-CD2 4.22Å; L157-P190 HydrophobicContact CD2-CG 4.08Å |
| 158 | E | 88.2 | Confident | 87.5 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.2 | 175.5 | -176.6 | 162.7 | -140 | 0 | 0 | 109.9 | K160 L171 V172 K174 K284 | E158-K160 PolarHBondContact O-N 3.22Å; E158-L171 WeakPolarHBondContact O-CA 3.43Å; E158-V172 HydrophobicContact CB-CG2 3.99Å; E158-V172 PolarHBondContact N-O 3.08Å; E158-V172 WeakPolarHBondContact O-CG2 3.26Å; E158-V172 PolarHBondContact O-N 3.27Å; E158-K174 HydrophobicContact CB-CB 4.08Å; E158-K174 HydrophobicContact CB-CD 3.9Å; E158-K174 HydrophobicContact CB-CG 4.11Å; E158-K174 HydrophobicContact CG-CD 4.39Å; E158-K174 VanDerWaalsContact OE1-CE 3.24Å; E158-K174 WeakPolarHBondContact OE1-CE 3.24Å; E158-K174 IonicContact OE1-NZ 2.91Å; E158-K174 PolarHBondContact OE1-NZ 2.99Å; E158-K174 VanDerWaalsContact OE2-CE 3.27Å; E158-K174 WeakPolarHBondContact OE2-CE 3.43Å; E158-K174 IonicContact OE2-NZ 3.98Å; E158-K284 IonicContact OE1-NZ 2.71Å |
| 159 | L | 91.5 | Very high | 87.7 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 101.4 | 170.2 | -173.7 | 67.7 | 0 | 0 | 0 | 108.3 | L113 V123 M128 L144 Y169 L171 | L113-L159 HydrophobicContact CD1-CD1 4.5Å; L113-L159 HydrophobicContact CD1-CD2 4.32Å; L113-L159 HydrophobicContact CD2-CD1 4.19Å; V123-L159 HydrophobicContact CG1-CD1 4.43Å; M128-L159 HydrophobicContact SD-CD2 4.16Å; L144-L159 HydrophobicContact CD1-CD2 3.69Å; L159-Y169 HydrophobicContact CG-CD1 4.3Å; L159-Y169 HydrophobicContact CG-CG 4.38Å; L159-L171 HydrophobicContact CB-CD1 4.1Å; L159-L171 HydrophobicContact CD1-CD1 4.23Å |
| 160 | K | 91.1 | Very high | 88.1 | Confident | 123 Ų | 123 | 46.7 Ų | 46.7 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.4 | -175 | -173.2 | 175.1 | -179.7 | -179.9 | 0 | 110.8 | E158 I162 Y169 L170 V172 | E158-K160 PolarHBondContact O-N 3.22Å; K160-I162 PolarHBondContact O-N 2.63Å; K160-Y169 CarbonylContact O-C 3.53Å; K160-Y169 VanDerWaalsContact O-CA 3.23Å; K160-Y169 WeakPolarHBondContact O-CA 3.36Å; K160-L170 PolarHBondContact N-O 2.74Å; K160-L170 PolarHBondContact O-N 3.1Å; K160-V172 HydrophobicContact CB-CG2 4.26Å |
| 161 | E | 92.7 | Very high | 88.3 | Confident | 81 Ų | 81 | 45 Ų | 45 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 126 | 170.4 | -164.8 | 163.1 | -145.1 | 0 | 0 | 109.4 | H167 Y169 | E161-H167 IonicContact OE1-ND1 3.44Å; E161-H167 PolarHBondContact OE1-ND1 3.39Å; E161-Y169 HydrophobicContact CB-CD1 3.77Å; E161-Y169 HydrophobicContact CB-CE1 3.64Å; E161-Y169 HydrophobicContact CG-CD1 4.09Å; E161-Y169 HydrophobicContact CG-CE1 3.7Å; E161-Y169 PolarHBondContact OE1-OH 2.93Å; E161-Y169 VanDerWaalsContact OE1-OH 3.11Å |
| 162 | I | 93.4 | Very high | 88.2 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 48% | 0.477 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -26.7 | 179.9 | 57.7 | 166.5 | 0 | 0 | 0 | 111.9 | A122 K160 S168 L170 | A122-I162 HydrophobicContact CB-CD1 3.86Å; K160-I162 PolarHBondContact O-N 2.63Å; I162-S168 VanDerWaalsContact CG1-O 3.26Å; I162-S168 WeakPolarHBondContact CG1-O 3.43Å; I162-S168 PolarHBondContact N-O 2.83Å; I162-L170 HydrophobicContact CG2-CB 3.71Å |
| 163 | D | 90.4 | Very high | 88 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 108.2 | 178.3 | 176.8 | 10.9 | 0 | 0 | 0 | 110 | S165 T166 H167 S168 | D163-S165 VanDerWaalsContact C-N 3.26Å; D163-S165 VanDerWaalsContact CG-OG 3.25Å; D163-S165 PolarHBondContact O-N 2.65Å; D163-S165 WeakPolarHBondContact OD1-CB 3.48Å; D163-S165 PolarHBondContact OD1-N 3.49Å; D163-S165 PolarHBondContact OD1-OG 3.32Å; D163-S165 PolarHBondContact OD2-OG 2.96Å; D163-S165 VanDerWaalsContact OD2-OG 3.1Å; D163-T166 VanDerWaalsContact CG-OG1 3.23Å; D163-T166 WeakPolarHBondContact OD2-CB 3.23Å; D163-T166 VanDerWaalsContact OD2-CG2 3.24Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.3Å; D163-T166 PolarHBondContact OD2-OG1 3.28Å; D163-H167 WeakPolarHBondContact O-CA 3.26Å; D163-H167 PolarHBondContact O-N 3.02Å; D163-H167 VanDerWaalsContact O-N 3.08Å; D163-S168 PolarHBondContact N-O 3.48Å; D163-S168 PolarHBondContact O-N 3.47Å |
| 164 | P | 89.8 | Confident | 87.4 | Confident | 90 Ų | 90 | 49.1 Ų | 49.1 | 58% | 0.584 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26 | 177.3 | -21.6 | 33.5 | 0 | 0 | 0 | 113.8 | H167 | P164-H167 PolarHBondContact O-CE1 2.93Å; P164-H167 PolarHBondContact O-ND1 3.29Å |
| 165 | S | 88.3 | Confident | 86.4 | Confident | 100 Ų | 100 | 50.6 Ų | 50.6 | 70% | 0.699 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -36.2 | -175.5 | 72 | 0 | 0 | 0 | 0 | 112.4 | D163 | D163-S165 VanDerWaalsContact C-N 3.26Å; D163-S165 VanDerWaalsContact CG-OG 3.25Å; D163-S165 PolarHBondContact O-N 2.65Å; D163-S165 WeakPolarHBondContact OD1-CB 3.48Å; D163-S165 PolarHBondContact OD1-N 3.49Å; D163-S165 PolarHBondContact OD1-OG 3.32Å; D163-S165 PolarHBondContact OD2-OG 2.96Å; D163-S165 VanDerWaalsContact OD2-OG 3.1Å |
| 166 | T | 88.3 | Confident | 85 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.9 | 176.8 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | D163 S168 | D163-T166 VanDerWaalsContact CG-OG1 3.23Å; D163-T166 WeakPolarHBondContact OD2-CB 3.23Å; D163-T166 VanDerWaalsContact OD2-CG2 3.24Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.3Å; D163-T166 PolarHBondContact OD2-OG1 3.28Å; T166-S168 VanDerWaalsContact C-N 3.27Å; T166-S168 PolarHBondContact O-N 3.45Å; T166-S168 WeakPolarHBondContact OG1-CB 3.42Å; T166-S168 PolarHBondContact OG1-OG 2.86Å |
| 167 | H | 91.4 | Very high | 83.5 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 52.7 | -168.6 | -61.2 | -61.3 | 0 | 0 | 0 | 111.4 | T124 R125 E161 D163 P164 Y169 | T124-H167 CarbonylContact C-O 3.58Å; T124-H167 WeakPolarHBondContact CA-O 3.43Å; R125-H167 HydrophobicContact CB-CB 3.74Å; R125-H167 PolarHBondContact N-O 3.38Å; E161-H167 IonicContact OE1-ND1 3.44Å; E161-H167 PolarHBondContact OE1-ND1 3.39Å; D163-H167 WeakPolarHBondContact O-CA 3.26Å; D163-H167 PolarHBondContact O-N 3.02Å; D163-H167 VanDerWaalsContact O-N 3.08Å; P164-H167 PolarHBondContact O-CE1 2.93Å; P164-H167 PolarHBondContact O-ND1 3.29Å; H167-Y169 HydrophobicContact CB-CE2 4.19Å; H167-Y169 VanDerWaalsContact O-CD2 3.3Å; H167-Y169 WeakPolarHBondContact O-CD2 3.47Å; H167-Y169 WeakPolarHBondContact O-CE2 3.22Å |
| 168 | S | 93.5 | Very high | 81.5 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 12% | 0.119 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.7 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | I162 D163 T166 | I162-S168 VanDerWaalsContact CG1-O 3.26Å; I162-S168 WeakPolarHBondContact CG1-O 3.43Å; I162-S168 PolarHBondContact N-O 2.83Å; D163-S168 PolarHBondContact N-O 3.48Å; D163-S168 PolarHBondContact O-N 3.47Å; T166-S168 VanDerWaalsContact C-N 3.27Å; T166-S168 PolarHBondContact O-N 3.45Å; T166-S168 WeakPolarHBondContact OG1-CB 3.42Å; T166-S168 PolarHBondContact OG1-OG 2.86Å |
| 169 | Y | 94.4 | Very high | 79.5 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 153.1 | -175.5 | -54.9 | -92.6 | 0 | 0 | 0 | 110.6 | A122 V123 R125 M128 L159 K160 E161 H167 | A122-Y169 CarbonylContact C-O 3.13Å; A122-Y169 VanDerWaalsContact CA-O 3.29Å; A122-Y169 WeakPolarHBondContact CA-O 3.25Å; V123-Y169 PolarHBondContact N-O 3.12Å; V123-Y169 PolarHBondContact O-N 3.39Å; R125-Y169 HydrophobicContact CB-CE2 4.13Å; M128-Y169 HydrophobicContact CE-CD2 3.33Å; M128-Y169 HydrophobicContact CE-CE2 3.56Å; M128-Y169 HydrophobicContact CE-CG 4.07Å; L159-Y169 HydrophobicContact CG-CD1 4.3Å; L159-Y169 HydrophobicContact CG-CG 4.38Å; K160-Y169 CarbonylContact O-C 3.53Å; K160-Y169 VanDerWaalsContact O-CA 3.23Å; K160-Y169 WeakPolarHBondContact O-CA 3.36Å; E161-Y169 HydrophobicContact CB-CD1 3.77Å; E161-Y169 HydrophobicContact CB-CE1 3.64Å; E161-Y169 HydrophobicContact CG-CD1 4.09Å; E161-Y169 HydrophobicContact CG-CE1 3.7Å; E161-Y169 PolarHBondContact OE1-OH 2.93Å; E161-Y169 VanDerWaalsContact OE1-OH 3.11Å; H167-Y169 HydrophobicContact CB-CE2 4.19Å; H167-Y169 VanDerWaalsContact O-CD2 3.3Å; H167-Y169 WeakPolarHBondContact O-CD2 3.47Å; H167-Y169 WeakPolarHBondContact O-CE2 3.22Å |
| 170 | L | 93.1 | Very high | 76.9 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 29% | 0.293 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.4 | 171.2 | -173.7 | 67.4 | 0 | 0 | 0 | 108.8 | K160 I162 V172 | K160-L170 PolarHBondContact N-O 2.74Å; K160-L170 PolarHBondContact O-N 3.1Å; I162-L170 HydrophobicContact CG2-CB 3.71Å; L170-V172 HydrophobicContact CD2-CG1 3.96Å; L170-V172 HydrophobicContact CG-CG1 4.06Å |
| 171 | L | 90 | Very high | 74.7 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 6% | 0.058 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 125.7 | 172.9 | -164.5 | 64.7 | 0 | 0 | 0 | 108.7 | L113 L114 F117 L151 L157 E158 L159 | L113-L171 HydrophobicContact CB-CD2 4.34Å; L114-L171 HydrophobicContact CD2-CD2 4.46Å; F117-L171 HydrophobicContact CB-CB 4.21Å; F117-L171 HydrophobicContact CB-CD2 3.77Å; F117-L171 HydrophobicContact CB-CG 4.35Å; F117-L171 HydrophobicContact CD2-CB 3.89Å; F117-L171 HydrophobicContact CD2-CD2 4.21Å; F117-L171 HydrophobicContact CD2-CG 3.98Å; F117-L171 VanDerWaalsContact CD2-O 3.22Å; F117-L171 WeakPolarHBondContact CD2-O 3.43Å; F117-L171 WeakPolarHBondContact CE2-O 3.16Å; F117-L171 HydrophobicContact CG-CD2 4.22Å; F117-L171 HydrophobicContact CG-CG 4.49Å; L151-L171 HydrophobicContact CD1-CD1 3.85Å; L151-L171 HydrophobicContact CD2-CD1 4.41Å; L151-L171 HydrophobicContact CD2-CD2 4.09Å; L151-L171 HydrophobicContact CG-CD1 4.49Å; L157-L171 HydrophobicContact CB-CD1 3.79Å; L157-L171 HydrophobicContact CB-CD2 4.17Å; L157-L171 HydrophobicContact CB-CG 3.87Å; L157-L171 HydrophobicContact CD1-CD2 3.54Å; L157-L171 HydrophobicContact CD1-CG 4.03Å; L157-L171 HydrophobicContact CG-CD2 4.43Å; L157-L171 HydrophobicContact CG-CG 4.44Å; E158-L171 WeakPolarHBondContact O-CA 3.43Å; L159-L171 HydrophobicContact CB-CD1 4.1Å; L159-L171 HydrophobicContact CD1-CD1 4.23Å |
| 172 | V | 85.3 | Confident | 72.6 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 26% | 0.261 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.6 | -176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | L157 E158 K160 L170 | L157-V172 CarbonylContact C-O 3.59Å; L157-V172 VanDerWaalsContact CA-O 3.31Å; L157-V172 WeakPolarHBondContact CA-O 3.07Å; E158-V172 HydrophobicContact CB-CG2 3.99Å; E158-V172 PolarHBondContact N-O 3.08Å; E158-V172 WeakPolarHBondContact O-CG2 3.26Å; E158-V172 PolarHBondContact O-N 3.27Å; K160-V172 HydrophobicContact CB-CG2 4.26Å; L170-V172 HydrophobicContact CD2-CG1 3.96Å; L170-V172 HydrophobicContact CG-CG1 4.06Å |
| 173 | G | 78.8 | Confident | 70.7 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 128.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 174 | K | 68.6 | Low | 68.9 | Low | 49 Ų | 49 | 59.4 Ų | 59.4 | 21% | 0.213 | 39% | 0.388 | C | S | . | . | trans | -106 | -28.4 | -172 | -162.1 | -176.2 | -157.7 | 149.6 | 0 | 114.2 | E152 G156 E158 G176 K284 | E152-K174 HydrophobicContact CG-CD 4.17Å; E152-K174 IonicContact OE1-NZ 3.4Å; E152-K174 PolarHBondContact OE1-NZ 3.43Å; E152-K174 IonicContact OE2-NZ 3.48Å; E152-K174 PolarHBondContact OE2-NZ 3.08Å; G156-K174 PolarHBondContact O-N 3.36Å; E158-K174 HydrophobicContact CB-CB 4.08Å; E158-K174 HydrophobicContact CB-CD 3.9Å; E158-K174 HydrophobicContact CB-CG 4.11Å; E158-K174 HydrophobicContact CG-CD 4.39Å; E158-K174 VanDerWaalsContact OE1-CE 3.24Å; E158-K174 WeakPolarHBondContact OE1-CE 3.24Å; E158-K174 IonicContact OE1-NZ 2.91Å; E158-K174 PolarHBondContact OE1-NZ 2.99Å; E158-K174 VanDerWaalsContact OE2-CE 3.27Å; E158-K174 WeakPolarHBondContact OE2-CE 3.43Å; E158-K174 IonicContact OE2-NZ 3.98Å; K174-G176 PolarHBondContact O-N 3.03Å; K174-K284 VanDerWaalsContact CE-CE 3.44Å; K174-K284 VanDerWaalsContact NZ-NZ 3.2Å | ||
| 175 | L | 60.5 | Low | 67.2 | Low | 32 Ų | 32 | 55.6 Ų | 55.6 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | trans | -94.6 | 98.5 | -174.9 | -76.7 | 102.9 | 0 | 0 | 0 | 111.4 | L177 T192 M196 V281 | L175-L177 PolarHBondContact O-N 3.16Å; L175-T192 HydrophobicContact CB-CG2 4.03Å; L175-T192 HydrophobicContact CD2-CG2 4.3Å; L175-M196 HydrophobicContact CD2-CB 3.85Å; L175-M196 HydrophobicContact CD2-CE 4.17Å; L175-M196 HydrophobicContact CD2-CG 3.53Å; L175-V281 HydrophobicContact CD2-CG2 4.38Å | ||
| 176 | G | 48.7 | Very low | 65.4 | Low | 82 Ų | 82 | 58.9 Ų | 58.9 | 85% | 0.845 | 37% | 0.373 | S | S | * | . | trans | -74.2 | 48.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K174 | K174-G176 PolarHBondContact O-N 3.03Š| ||
| 177 | L | 49.5 | Very low | 63.4 | Low | 30 Ų | 30 | 62.2 Ų | 62.2 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | trans | -73.2 | 132 | 151.3 | -62.3 | -169.8 | 0 | 0 | 0 | 105.9 | L175 T179 T192 M196 | L175-L177 PolarHBondContact O-N 3.16Å; L177-T179 PolarHBondContact O-N 2.97Å; L177-T192 HydrophobicContact CB-CG2 4.01Å; L177-T192 HydrophobicContact CD1-CG2 3.51Å; L177-T192 HydrophobicContact CG-CG2 3.77Å; L177-M196 HydrophobicContact CD1-SD 4.27Å | ||
| 178 | S | 43.4 | Very low | 61.7 | Low | 99 Ų | 99 | 60.6 Ų | 60.6 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | trans | -68.5 | 72.3 | 168.5 | -170.8 | 0 | 0 | 0 | 0 | 107.8 | E180 | S178-E180 PolarHBondContact O-N 3.43Š| ||
| 179 | T | 46.7 | Very low | 60.2 | Low | 34 Ų | 34 | 60 Ų | 60 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | trans | -88.7 | 56.6 | 168.3 | -45.7 | 0 | 0 | 0 | 0 | 107.4 | L177 G181 L183 | L177-T179 PolarHBondContact O-N 2.97Å; T179-G181 PolarHBondContact O-N 3.4Å; T179-L183 HydrophobicContact CG2-CB 3.55Å; T179-L183 HydrophobicContact CG2-CD1 4.46Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; T179-L183 VanDerWaalsContact CG2-N 3.27Å | ||
| 180 | E | 38.1 | Very low | 58.9 | Low | 187 Ų | 187 | 60.5 Ų | 60.5 | 87% | 0.874 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -73.8 | 76 | 167.3 | -166.1 | 151.9 | -167.4 | 0 | 0 | 106.9 | S178 | S178-E180 PolarHBondContact O-N 3.43Š|
| 181 | G | 43.7 | Very low | 57.8 | Low | 64 Ų | 64 | 59.4 Ų | 59.4 | 66% | 0.66 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 143 | -41.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | T179 | T179-G181 PolarHBondContact O-N 3.4Š|
| 182 | S | 49.4 | Very low | 57.2 | Low | 52 Ų | 52 | 59.1 Ų | 59.1 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -98 | -42.6 | -161.2 | -153.4 | 0 | 0 | 0 | 0 | 116 | R191 E245 | S182-R191 PolarHBondContact O-NH2 2.96Å; S182-R191 VanDerWaalsContact O-NH2 3.16Å; S182-E245 PolarHBondContact OG-OE1 3.37Å; S182-E245 PolarHBondContact OG-OE2 3.2Å |
| 183 | L | 52 | Low | 57 | Low | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -105.4 | 26 | -171.9 | -62.1 | 173.8 | 0 | 0 | 0 | 114.1 | T179 R191 L195 E245 Y247 | T179-L183 HydrophobicContact CG2-CB 3.55Å; T179-L183 HydrophobicContact CG2-CD1 4.46Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; T179-L183 VanDerWaalsContact CG2-N 3.27Å; L183-R191 HydrophobicContact CB-CB 4.21Å; L183-R191 WeakPolarHBondContact O-CB 3.35Å; L183-R191 VanDerWaalsContact O-CG 3.26Å; L183-R191 WeakPolarHBondContact O-CG 3.25Å; L183-R191 PolarHBondContact O-N 2.73Å; L183-R191 VanDerWaalsContact O-N 3.09Å; L183-R191 PolarHBondContact O-NE 3.38Å; L183-L195 HydrophobicContact CD1-CD2 3.62Å; L183-E245 VanDerWaalsContact CD2-CD 3.45Å; L183-E245 VanDerWaalsContact CD2-OE1 3.26Å; L183-E245 WeakPolarHBondContact CD2-OE1 3.45Å; L183-E245 WeakPolarHBondContact CD2-OE2 3.4Å; L183-E245 WeakPolarHBondContact CG-OE2 3.44Å; L183-Y247 HydrophobicContact CD1-CD2 4.25Å; L183-Y247 HydrophobicContact CD1-CE2 3.53Å; L183-Y247 HydrophobicContact CG-CE2 4.33Å |
| 184 | S | 53.4 | Low | 57.3 | Low | 64 Ų | 64 | 54.5 Ų | 54.5 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -77.1 | 135.5 | 166.2 | 67.6 | 0 | 0 | 0 | 0 | 108.5 | R191 | S184-R191 PolarHBondContact O-NE 3.2Å; S184-R191 VanDerWaalsContact O-NE 3.16Å; S184-R191 PolarHBondContact O-NH2 3.42Å |
| 185 | S | 53.2 | Low | 58.2 | Low | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | trans | -69.5 | 165.7 | 168.9 | 70.5 | 0 | 0 | 0 | 0 | 109.8 | W187 G188 L189 I231 | S185-W187 PolarHBondContact O-N 2.75Å; S185-W187 PolarHBondContact OG-N 2.75Å; S185-G188 PolarHBondContact O-N 3.38Å; S185-L189 PolarHBondContact N-O 2.78Å; S185-L189 VanDerWaalsContact N-O 3.08Å; S185-L189 PolarHBondContact OG-N 3.27Å; S185-I231 WeakPolarHBondContact CB-O 3.38Å | ||
| 186 | N | 50.5 | Low | 59.4 | Low | 170 Ų | 170 | 51.2 Ų | 51.2 | 91% | 0.909 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -12.1 | 171.8 | -57.6 | -4.5 | 0 | 0 | 0 | 113 | ||
| 187 | W | 46.9 | Very low | 61.2 | Low | 143 Ų | 143 | 47.7 Ų | 47.7 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4 | 175.9 | -71.9 | 92.5 | 0 | 0 | 0 | 114.2 | K118 S185 L189 | K118-W187 HydrophobicContact CD-CD2 4.47Å; K118-W187 HydrophobicContact CD-CE3 3.43Å; K118-W187 VanDerWaalsContact CD-CE3 3.43Å; K118-W187 HydrophobicContact CD-CZ3 3.59Å; K118-W187 HydrophobicContact CG-CE3 4.36Å; S185-W187 PolarHBondContact O-N 2.75Å; S185-W187 PolarHBondContact OG-N 2.75Å; W187-L189 HydrophobicContact CB-CD1 4.1Å; W187-L189 HydrophobicContact CB-CG 4.31Å; W187-L189 PolarHBondContact O-N 3Å |
| 188 | G | 56.1 | Low | 63.2 | Low | 54 Ų | 54 | 46.3 Ų | 46.3 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 71.5 | 16.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S185 | S185-G188 PolarHBondContact O-N 3.38Š|
| 189 | L | 62.4 | Low | 65.5 | Low | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | trans | -91.8 | 146.1 | -178.9 | -67.2 | 166.6 | 0 | 0 | 0 | 111.1 | F117 L157 S185 W187 R191 I231 | F117-L189 HydrophobicContact CD1-CD2 3.33Å; F117-L189 HydrophobicContact CE1-CD2 3.46Å; F117-L189 VanDerWaalsContact CE1-CD2 3.46Å; F117-L189 HydrophobicContact CG-CD2 4.37Å; L157-L189 HydrophobicContact CD1-CD2 4.22Å; S185-L189 PolarHBondContact N-O 2.78Å; S185-L189 VanDerWaalsContact N-O 3.08Å; S185-L189 PolarHBondContact OG-N 3.27Å; W187-L189 HydrophobicContact CB-CD1 4.1Å; W187-L189 HydrophobicContact CB-CG 4.31Å; W187-L189 PolarHBondContact O-N 3Å; L189-R191 PolarHBondContact O-N 3.35Å; L189-I231 HydrophobicContact CB-CG2 3.85Å; L189-I231 HydrophobicContact CD1-CB 4.22Å; L189-I231 HydrophobicContact CD1-CD1 3.46Å; L189-I231 VanDerWaalsContact CD1-CD1 3.46Å; L189-I231 HydrophobicContact CD1-CG1 3.49Å; L189-I231 VanDerWaalsContact CD1-CG1 3.49Å; L189-I231 HydrophobicContact CD1-CG2 3.89Å | ||
| 190 | P | 65.6 | Low | 67.5 | Low | 32 Ų | 32 | 40.2 Ų | 40.2 | 21% | 0.208 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 117 | 178.9 | -14.1 | 28 | 0 | 0 | 0 | 110.6 | L157 T192 | L157-P190 HydrophobicContact CD2-CG 4.08Å; P190-T192 PolarHBondContact O-N 3.18Å |
| 191 | R | 71.8 | Confident | 70 | Confident | 33 Ų | 33 | 31.8 Ų | 31.8 | 13% | 0.125 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.3 | 166.8 | -59.7 | -175 | -97.3 | 167.2 | -3.4 | 112.3 | S182 L183 S184 L189 G193 L194 L195 F232 F238 D241 | S182-R191 PolarHBondContact O-NH2 2.96Å; S182-R191 VanDerWaalsContact O-NH2 3.16Å; L183-R191 HydrophobicContact CB-CB 4.21Å; L183-R191 WeakPolarHBondContact O-CB 3.35Å; L183-R191 VanDerWaalsContact O-CG 3.26Å; L183-R191 WeakPolarHBondContact O-CG 3.25Å; L183-R191 PolarHBondContact O-N 2.73Å; L183-R191 VanDerWaalsContact O-N 3.09Å; L183-R191 PolarHBondContact O-NE 3.38Å; S184-R191 PolarHBondContact O-NE 3.2Å; S184-R191 VanDerWaalsContact O-NE 3.16Å; S184-R191 PolarHBondContact O-NH2 3.42Å; L189-R191 PolarHBondContact O-N 3.35Å; R191-G193 VanDerWaalsContact C-N 3.31Å; R191-G193 PolarHBondContact O-N 2.94Å; R191-L194 PolarHBondContact O-N 2.89Å; R191-L195 PolarHBondContact O-N 3.02Å; R191-F232 HydrophobicContact CB-CD1 4.46Å; R191-F232 HydrophobicContact CG-CD1 4.22Å; R191-F238 HydrophobicContact CB-CE2 4.26Å; R191-D241 IonicContact NH1-OD2 2.7Å; R191-D241 PolarHBondContact NH1-OD2 2.85Å |
| 192 | T | 76.7 | Confident | 72.4 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -32.4 | -178 | -43.2 | 0 | 0 | 0 | 0 | 114 | L175 L177 P190 M196 | L175-T192 HydrophobicContact CB-CG2 4.03Å; L175-T192 HydrophobicContact CD2-CG2 4.3Å; L177-T192 HydrophobicContact CB-CG2 4.01Å; L177-T192 HydrophobicContact CD1-CG2 3.51Å; L177-T192 HydrophobicContact CG-CG2 3.77Å; P190-T192 PolarHBondContact O-N 3.18Å; T192-M196 HydrophobicContact CG2-CG 4.12Å; T192-M196 VanDerWaalsContact O-CB 3.29Å; T192-M196 WeakPolarHBondContact O-CB 3.34Å; T192-M196 WeakPolarHBondContact O-CG 3.42Å; T192-M196 PolarHBondContact O-N 3.14Å |
| 193 | G | 80.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -54.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L153 V154 R191 L195 M196 S197 | L153-G193 CarbonylContact O-C 3.47Å; V154-G193 CarbonylContact O-C 3.59Å; R191-G193 VanDerWaalsContact C-N 3.31Å; R191-G193 PolarHBondContact O-N 2.94Å; G193-L195 PolarHBondContact O-N 3.41Å; G193-M196 PolarHBondContact O-N 3.48Å; G193-S197 PolarHBondContact O-N 3.46Å; G193-S197 PolarHBondContact O-OG 3.13Å |
| 194 | L | 84.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 179.7 | -172.7 | 60.2 | 0 | 0 | 0 | 111.7 | V154 R191 S197 V198 F217 L218 V221 V223 F232 F238 | V154-L194 HydrophobicContact CG1-CD1 4.44Å; V154-L194 PolarHBondContact O-N 2.82Å; R191-L194 PolarHBondContact O-N 2.89Å; L194-S197 WeakPolarHBondContact O-CB 3.17Å; L194-S197 PolarHBondContact O-N 3.39Å; L194-V198 WeakPolarHBondContact O-CG2 3.29Å; L194-V198 PolarHBondContact O-N 2.91Å; L194-F217 HydrophobicContact CD1-CE1 4.43Å; L194-L218 HydrophobicContact CD1-CD2 3.73Å; L194-L218 HydrophobicContact CD2-CD2 4.33Å; L194-L218 HydrophobicContact CG-CD2 4.32Å; L194-V221 HydrophobicContact CD1-CG2 4.47Å; L194-V223 HydrophobicContact CD2-CG2 4.43Å; L194-F232 HydrophobicContact CB-CD1 4.32Å; L194-F232 HydrophobicContact CB-CE1 3.7Å; L194-F232 HydrophobicContact CB-CE2 4.37Å; L194-F232 HydrophobicContact CB-CZ 3.76Å; L194-F232 HydrophobicContact CD2-CD1 3.88Å; L194-F232 HydrophobicContact CD2-CD2 3.71Å; L194-F232 HydrophobicContact CD2-CE1 4Å; L194-F232 HydrophobicContact CD2-CE2 3.85Å; L194-F232 HydrophobicContact CD2-CG 3.76Å; L194-F232 HydrophobicContact CD2-CZ 4.01Å; L194-F232 HydrophobicContact CG-CZ 4.46Å; L194-F238 HydrophobicContact CB-CE1 4.44Å; L194-F238 HydrophobicContact CB-CE2 4.49Å; L194-F238 HydrophobicContact CB-CZ 3.96Å; L194-F238 HydrophobicContact CD2-CD1 3.86Å; L194-F238 HydrophobicContact CD2-CE1 3.59Å; L194-F238 HydrophobicContact CD2-CE2 4.32Å; L194-F238 HydrophobicContact CD2-CG 4.34Å; L194-F238 HydrophobicContact CD2-CZ 3.85Å; L194-F238 HydrophobicContact CG-CE1 3.75Å; L194-F238 HydrophobicContact CG-CZ 3.8Å |
| 195 | L | 87.4 | Confident | 77.8 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 174.2 | 169.9 | 60.8 | 0 | 0 | 0 | 111.5 | L183 R191 G193 S197 V198 L199 F238 V242 Y247 | L183-L195 HydrophobicContact CD1-CD2 3.62Å; R191-L195 PolarHBondContact O-N 3.02Å; G193-L195 PolarHBondContact O-N 3.41Å; L195-S197 PolarHBondContact O-N 3.48Å; L195-V198 PolarHBondContact O-N 3.46Å; L195-V198 VanDerWaalsContact O-N 3.17Å; L195-L199 HydrophobicContact CD1-CD1 4.06Å; L195-L199 HydrophobicContact CD1-CG 4.04Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.16Å; L195-F238 HydrophobicContact CB-CZ 4.32Å; L195-V242 HydrophobicContact CD1-CB 4.25Å; L195-V242 HydrophobicContact CD1-CG1 4.02Å; L195-Y247 HydrophobicContact CD1-CD1 4.39Å; L195-Y247 HydrophobicContact CD1-CG 4.08Å; L195-Y247 HydrophobicContact CD2-CD1 3.66Å; L195-Y247 HydrophobicContact CD2-CD2 3.88Å; L195-Y247 HydrophobicContact CD2-CE1 3.76Å; L195-Y247 HydrophobicContact CD2-CE2 4Å; L195-Y247 HydrophobicContact CD2-CG 3.69Å |
| 196 | M | 86.4 | Confident | 79.4 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -32.4 | 179.4 | -74.3 | -73.7 | -70 | 0 | 0 | 112.2 | L175 L177 T192 G193 L199 G200 T273 V278 V281 | L175-M196 HydrophobicContact CD2-CB 3.85Å; L175-M196 HydrophobicContact CD2-CE 4.17Å; L175-M196 HydrophobicContact CD2-CG 3.53Å; L177-M196 HydrophobicContact CD1-SD 4.27Å; T192-M196 HydrophobicContact CG2-CG 4.12Å; T192-M196 VanDerWaalsContact O-CB 3.29Å; T192-M196 WeakPolarHBondContact O-CB 3.34Å; T192-M196 WeakPolarHBondContact O-CG 3.42Å; T192-M196 PolarHBondContact O-N 3.14Å; G193-M196 PolarHBondContact O-N 3.48Å; M196-L199 HydrophobicContact SD-CD1 4.25Å; M196-G200 PolarHBondContact O-N 2.93Å; M196-T273 HydrophobicContact SD-CG2 4.18Å; M196-V278 HydrophobicContact CE-CG2 3.66Å; M196-V278 HydrophobicContact SD-CG2 4Å; M196-V281 HydrophobicContact CE-CG2 4.14Å |
| 197 | S | 87.1 | Confident | 81.3 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | 173.5 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | L153 G193 L194 L195 G200 V201 | L153-S197 WeakPolarHBondContact CD1-OG 3.45Å; L153-S197 WeakPolarHBondContact CG-OG 3.06Å; L153-S197 PolarHBondContact O-OG 3.15Å; G193-S197 PolarHBondContact O-N 3.46Å; G193-S197 PolarHBondContact O-OG 3.13Å; L194-S197 WeakPolarHBondContact O-CB 3.17Å; L194-S197 PolarHBondContact O-N 3.39Å; L195-S197 PolarHBondContact O-N 3.48Å; S197-G200 CarbonylContact O-C 3.28Å; S197-G200 WeakPolarHBondContact O-CA 3.3Å; S197-G200 PolarHBondContact O-N 2.91Å; S197-G200 VanDerWaalsContact O-N 3.11Å; S197-V201 WeakPolarHBondContact O-CG2 3.39Å; S197-V201 PolarHBondContact O-N 2.83Å |
| 198 | V | 90.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 176 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L194 L195 G200 V201 I202 V214 F217 L218 L248 | L194-V198 WeakPolarHBondContact O-CG2 3.29Å; L194-V198 PolarHBondContact O-N 2.91Å; L195-V198 PolarHBondContact O-N 3.46Å; L195-V198 VanDerWaalsContact O-N 3.17Å; V198-G200 PolarHBondContact O-N 2.96Å; V198-V201 PolarHBondContact O-N 2.94Å; V198-V201 VanDerWaalsContact O-N 3.13Å; V198-I202 HydrophobicContact CG1-CD1 4.05Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 3.35Å; V198-V214 HydrophobicContact CG1-CG1 4.12Å; V198-F217 HydrophobicContact CG2-CE1 4.4Å; V198-L218 HydrophobicContact CG2-CD2 4.21Å; V198-L248 HydrophobicContact CG1-CD1 3.79Å; V198-L248 HydrophobicContact CG1-CD2 4.47Å |
| 199 | L | 91.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.6 | -39.1 | 172.3 | -69.5 | 175.5 | 0 | 0 | 0 | 111.5 | L195 M196 F203 L248 W265 A269 T273 V278 | L195-L199 HydrophobicContact CD1-CD1 4.06Å; L195-L199 HydrophobicContact CD1-CG 4.04Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.16Å; M196-L199 HydrophobicContact SD-CD1 4.25Å; L199-F203 WeakPolarHBondContact O-CB 3.26Å; L199-F203 PolarHBondContact O-N 3.5Å; L199-L248 HydrophobicContact CD2-CD2 3.59Å; L199-W265 HydrophobicContact CB-CZ2 3.83Å; L199-W265 HydrophobicContact CD2-CB 4.49Å; L199-W265 HydrophobicContact CD2-CD2 3.87Å; L199-W265 HydrophobicContact CD2-CG 3.74Å; L199-W265 PolarHBondContact O-NE1 3.08Å; L199-A269 HydrophobicContact CD1-CB 4.05Å; L199-A269 HydrophobicContact CD2-CB 3.76Å; L199-T273 HydrophobicContact CD1-CG2 4.02Å; L199-V278 HydrophobicContact CB-CG2 4.4Å |
| 200 | G | 89.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M196 S197 V198 F203 M204 | M196-G200 PolarHBondContact O-N 2.93Å; S197-G200 CarbonylContact O-C 3.28Å; S197-G200 WeakPolarHBondContact O-CA 3.3Å; S197-G200 PolarHBondContact O-N 2.91Å; S197-G200 VanDerWaalsContact O-N 3.11Å; V198-G200 PolarHBondContact O-N 2.96Å; G200-F203 PolarHBondContact O-N 3.02Å; G200-M204 VanDerWaalsContact O-CG 3.29Å; G200-M204 WeakPolarHBondContact O-CG 3.32Å; G200-M204 PolarHBondContact O-N 3.29Å |
| 201 | V | 90.7 | Very high | 88.2 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | S197 V198 F203 M204 K205 F217 | S197-V201 WeakPolarHBondContact O-CG2 3.39Å; S197-V201 PolarHBondContact O-N 2.83Å; V198-V201 PolarHBondContact O-N 2.94Å; V198-V201 VanDerWaalsContact O-N 3.13Å; V201-F203 VanDerWaalsContact C-N 3.27Å; V201-F203 PolarHBondContact O-N 3.11Å; V201-M204 HydrophobicContact CB-CE 4.42Å; V201-M204 HydrophobicContact CG2-CE 4Å; V201-M204 PolarHBondContact O-N 3.44Å; V201-K205 WeakPolarHBondContact O-CG 3.31Å; V201-K205 PolarHBondContact O-N 3.32Å; V201-F217 HydrophobicContact CG1-CB 4.42Å; V201-F217 HydrophobicContact CG2-CB 4Å; V201-F217 HydrophobicContact CG2-CD1 3.83Å; V201-F217 HydrophobicContact CG2-CD2 3.53Å; V201-F217 HydrophobicContact CG2-CE1 4.21Å; V201-F217 HydrophobicContact CG2-CE2 3.94Å; V201-F217 HydrophobicContact CG2-CG 3.48Å; V201-F217 VanDerWaalsContact CG2-CG 3.48Å; V201-F217 HydrophobicContact CG2-CZ 4.28Å |
| 202 | I | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.9 | -65 | 164.2 | 0 | 0 | 0 | 110.5 | V198 K205 G206 N207 R208 A209 L248 F263 | V198-I202 HydrophobicContact CG1-CD1 4.05Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 3.35Å; I202-K205 PolarHBondContact O-N 3.06Å; I202-G206 PolarHBondContact O-N 2.79Å; I202-N207 VanDerWaalsContact CG2-C 3.46Å; I202-N207 VanDerWaalsContact O-CA 3.27Å; I202-N207 WeakPolarHBondContact O-CA 3.38Å; I202-N207 PolarHBondContact O-N 3.36Å; I202-R208 PolarHBondContact O-N 3.41Å; I202-A209 HydrophobicContact CB-CB 4.48Å; I202-A209 HydrophobicContact CG1-CB 3.91Å; I202-L248 HydrophobicContact CD1-CD2 3.44Å; I202-L248 VanDerWaalsContact CD1-CD2 3.44Å; I202-F263 HydrophobicContact CD1-CB 3.77Å; I202-F263 HydrophobicContact CG1-CB 4.28Å |
| 203 | F | 91.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 177.1 | 178.4 | -132.6 | 0 | 0 | 0 | 112.2 | L199 G200 V201 K205 G206 W265 K275 L279 L296 L299 A300 | L199-F203 WeakPolarHBondContact O-CB 3.26Å; L199-F203 PolarHBondContact O-N 3.5Å; G200-F203 PolarHBondContact O-N 3.02Å; V201-F203 VanDerWaalsContact C-N 3.27Å; V201-F203 PolarHBondContact O-N 3.11Å; F203-K205 PolarHBondContact O-N 3.36Å; F203-G206 PolarHBondContact O-N 3.22Å; F203-G206 VanDerWaalsContact O-N 3.11Å; F203-W265 HydrophobicContact CB-CZ2 4.23Å; F203-K275 HydrophobicContact CD2-CB 4.24Å; F203-K275 HydrophobicContact CD2-CD 3.85Å; F203-K275 HydrophobicContact CD2-CG 3.93Å; F203-K275 HydrophobicContact CE1-CB 4.14Å; F203-K275 HydrophobicContact CE2-CB 3.9Å; F203-K275 HydrophobicContact CE2-CD 3.61Å; F203-K275 HydrophobicContact CE2-CG 3.92Å; F203-K275 HydrophobicContact CG-CG 4.43Å; F203-K275 HydrophobicContact CZ-CB 3.82Å; F203-K275 HydrophobicContact CZ-CD 4.34Å; F203-K275 HydrophobicContact CZ-CG 4.36Å; F203-L279 HydrophobicContact CE1-CB 4.18Å; F203-L279 HydrophobicContact CE1-CD1 4.42Å; F203-L296 HydrophobicContact CD1-CD2 4.47Å; F203-L296 HydrophobicContact CE1-CB 3.85Å; F203-L296 HydrophobicContact CE1-CD2 4.21Å; F203-L296 HydrophobicContact CE1-CG 4.46Å; F203-L296 HydrophobicContact CE2-CD2 4.37Å; F203-L296 HydrophobicContact CZ-CB 3.99Å; F203-L296 HydrophobicContact CZ-CD2 4.16Å; F203-L296 VanDerWaalsContact CZ-O 3.3Å; F203-L296 WeakPolarHBondContact CZ-O 3.04Å; F203-L299 HydrophobicContact CE2-CB 4Å; F203-L299 HydrophobicContact CZ-CB 4.16Å; F203-A300 HydrophobicContact CE1-CB 4.42Å; F203-A300 HydrophobicContact CZ-CB 3.99Å |
| 204 | M | 87.2 | Confident | 90.3 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 40% | 0.404 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.4 | -30.4 | 176.5 | -73 | -171.7 | -71.6 | 0 | 0 | 113.1 | G200 V201 G206 L282 L296 | G200-M204 VanDerWaalsContact O-CG 3.29Å; G200-M204 WeakPolarHBondContact O-CG 3.32Å; G200-M204 PolarHBondContact O-N 3.29Å; V201-M204 HydrophobicContact CB-CE 4.42Å; V201-M204 HydrophobicContact CG2-CE 4Å; V201-M204 PolarHBondContact O-N 3.44Å; M204-G206 VanDerWaalsContact C-N 3.29Å; M204-G206 PolarHBondContact O-N 2.85Å; M204-L282 HydrophobicContact CE-CD1 4.26Å; M204-L282 HydrophobicContact CE-CD2 4.26Å; M204-L282 HydrophobicContact CG-CD2 3.92Å; M204-L282 HydrophobicContact SD-CD1 4.31Å; M204-L282 HydrophobicContact SD-CD2 3.45Å; M204-L282 WeakPolarHBondContact SD-CD2 3.41Å; M204-L296 HydrophobicContact CB-CD1 4.41Å; M204-L296 HydrophobicContact CG-CD1 3.69Å |
| 205 | K | 88.5 | Confident | 90.7 | Very high | 115 Ų | 115 | 37.6 Ų | 37.6 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 9.1 | 179 | -66.7 | -69 | -173.5 | 157.9 | 0 | 114.2 | V201 I202 F203 R208 A209 E213 | V201-K205 WeakPolarHBondContact O-CG 3.31Å; V201-K205 PolarHBondContact O-N 3.32Å; I202-K205 PolarHBondContact O-N 3.06Å; F203-K205 PolarHBondContact O-N 3.36Å; K205-R208 CarbonylContact C-O 3.59Å; K205-R208 WeakPolarHBondContact CB-O 3.32Å; K205-A209 HydrophobicContact CB-CB 4.2Å; K205-A209 HydrophobicContact CG-CB 4.26Å; K205-E213 WeakPolarHBondContact CD-OE1 3.18Å; K205-E213 WeakPolarHBondContact CE-OE1 3.31Å; K205-E213 IonicContact NZ-OE1 3.27Å; K205-E213 PolarHBondContact NZ-OE1 2.86Å |
| 206 | G | 87.1 | Confident | 90.8 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 45% | 0.454 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 30.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I202 F203 M204 R208 | I202-G206 PolarHBondContact O-N 2.79Å; F203-G206 PolarHBondContact O-N 3.22Å; F203-G206 VanDerWaalsContact O-N 3.11Å; M204-G206 VanDerWaalsContact C-N 3.29Å; M204-G206 PolarHBondContact O-N 2.85Å; G206-R208 VanDerWaalsContact C-N 3.27Å; G206-R208 PolarHBondContact O-N 3.31Å |
| 207 | N | 90.6 | Very high | 90.9 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 73.1 | 11 | -177.3 | -42.6 | -79.6 | 0 | 0 | 0 | 114.9 | I202 K275 | I202-N207 VanDerWaalsContact CG2-C 3.46Å; I202-N207 VanDerWaalsContact O-CA 3.27Å; I202-N207 WeakPolarHBondContact O-CA 3.38Å; I202-N207 PolarHBondContact O-N 3.36Å; N207-K275 WeakPolarHBondContact OD1-CE 3.32Å; N207-K275 PolarHBondContact OD1-NZ 3.11Å |
| 208 | R | 92.9 | Very high | 90.9 | Very high | 128 Ų | 128 | 43.4 Ų | 43.4 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | trans | -143.5 | 139.7 | 172.3 | -54.3 | -171 | -179.2 | -167.9 | 1.4 | 108.2 | I202 K205 G206 E262 F263 L264 | I202-R208 PolarHBondContact O-N 3.41Å; K205-R208 CarbonylContact C-O 3.59Å; K205-R208 WeakPolarHBondContact CB-O 3.32Å; G206-R208 VanDerWaalsContact C-N 3.27Å; G206-R208 PolarHBondContact O-N 3.31Å; R208-E262 WeakPolarHBondContact CD-OE2 3.48Å; R208-E262 IonicContact NH1-OE1 2.76Å; R208-E262 PolarHBondContact NH1-OE1 2.92Å; R208-F263 WeakPolarHBondContact CA-O 3.25Å; R208-L264 HydrophobicContact CG-CD2 3.76Å; R208-L264 HydrophobicContact CG-CG 4.02Å | ||
| 209 | A | 95.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I202 K205 E213 V214 E262 F263 | I202-A209 HydrophobicContact CB-CB 4.48Å; I202-A209 HydrophobicContact CG1-CB 3.91Å; K205-A209 HydrophobicContact CB-CB 4.2Å; K205-A209 HydrophobicContact CG-CB 4.26Å; A209-E213 HydrophobicContact CB-CB 4.44Å; A209-V214 HydrophobicContact CB-CG2 3.91Å; A209-E262 CarbonylContact O-C 3.26Å; A209-E262 WeakPolarHBondContact O-CA 3.4Å; A209-F263 PolarHBondContact N-O 2.93Å; A209-F263 PolarHBondContact O-N 3.32Å |
| 210 | T | 94.4 | Very high | 90 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 154.8 | 172.9 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | Q212 E213 V214 | T210-Q212 PolarHBondContact O-N 2.89Å; T210-E213 PolarHBondContact N-OE2 3.39Å; T210-E213 PolarHBondContact O-N 3.31Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.45Å; T210-E213 PolarHBondContact OG1-N 2.8Å; T210-E213 PolarHBondContact OG1-OE2 2.88Å; T210-V214 PolarHBondContact O-N 3.32Å; T210-V214 VanDerWaalsContact O-N 3.16Å |
| 211 | E | 92.9 | Very high | 89.4 | Confident | 59 Ų | 59 | 50.2 Ų | 50.2 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.8 | -40.4 | 176.5 | -158.6 | -166.7 | 148.5 | 0 | 0 | 111.6 | E213 V214 W215 Y250 Y261 F263 | E211-E213 PolarHBondContact O-N 3.47Å; E211-V214 PolarHBondContact O-N 3.38Å; E211-W215 PolarHBondContact O-N 2.67Å; E211-W215 PolarHBondContact OE1-NE1 2.78Å; E211-Y250 HydrophobicContact CB-CE2 4.49Å; E211-Y250 HydrophobicContact CG-CE2 4.1Å; E211-Y250 PolarHBondContact OE2-OH 2.88Å; E211-Y261 PolarHBondContact N-O 3.34Å; E211-F263 HydrophobicContact CB-CE2 4.16Å; E211-F263 HydrophobicContact CG-CE2 3.67Å; E211-F263 HydrophobicContact CG-CZ 4.21Å |
| 212 | Q | 91.2 | Very high | 88.7 | Confident | 134 Ų | 134 | 50.6 Ų | 50.6 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.4 | -43.6 | 176.8 | -173.1 | -178.8 | 11.4 | 0 | 0 | 112.5 | T210 W215 Q216 | T210-Q212 PolarHBondContact O-N 2.89Å; Q212-W215 PolarHBondContact O-N 3.09Å; Q212-Q216 HydrophobicContact CG-CG 4.49Å; Q212-Q216 WeakPolarHBondContact O-CB 3.5Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.26Å; Q212-Q216 PolarHBondContact O-N 2.98Å |
| 213 | E | 91.6 | Very high | 88.2 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 179.5 | -73.7 | 168 | 129.8 | 0 | 0 | 112 | K205 A209 T210 E211 Q216 F217 | K205-E213 WeakPolarHBondContact CD-OE1 3.18Å; K205-E213 WeakPolarHBondContact CE-OE1 3.31Å; K205-E213 IonicContact NZ-OE1 3.27Å; K205-E213 PolarHBondContact NZ-OE1 2.86Å; A209-E213 HydrophobicContact CB-CB 4.44Å; T210-E213 PolarHBondContact N-OE2 3.39Å; T210-E213 PolarHBondContact O-N 3.31Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.45Å; T210-E213 PolarHBondContact OG1-N 2.8Å; T210-E213 PolarHBondContact OG1-OE2 2.88Å; E211-E213 PolarHBondContact O-N 3.47Å; E213-Q216 PolarHBondContact O-N 2.91Å; E213-F217 PolarHBondContact O-N 3.07Å |
| 214 | V | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 175 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | V198 A209 T210 E211 Q216 F217 L218 I239 F263 | V198-V214 HydrophobicContact CG1-CG1 4.12Å; A209-V214 HydrophobicContact CB-CG2 3.91Å; T210-V214 PolarHBondContact O-N 3.32Å; T210-V214 VanDerWaalsContact O-N 3.16Å; E211-V214 PolarHBondContact O-N 3.38Å; V214-Q216 PolarHBondContact O-N 3.43Å; V214-F217 WeakPolarHBondContact O-CB 3.39Å; V214-F217 PolarHBondContact O-N 3.31Å; V214-L218 HydrophobicContact CG1-CD1 4.21Å; V214-L218 HydrophobicContact CG1-CG 4.45Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 3.23Å; V214-I239 HydrophobicContact CG1-CD1 4.44Å; V214-F263 HydrophobicContact CB-CD2 4.03Å; V214-F263 HydrophobicContact CB-CE2 4.15Å; V214-F263 HydrophobicContact CG1-CD2 4.41Å; V214-F263 HydrophobicContact CG1-CE2 4.33Å; V214-F263 HydrophobicContact CG2-CB 4.46Å; V214-F263 HydrophobicContact CG2-CD2 3.6Å; V214-F263 HydrophobicContact CG2-CE2 4.24Å; V214-F263 HydrophobicContact CG2-CG 4.37Å |
| 215 | W | 91.1 | Very high | 87.4 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | 176.5 | -78.4 | 120.6 | 0 | 0 | 0 | 113.3 | E211 Q212 F217 L218 H219 A225 P235 E236 | E211-W215 PolarHBondContact O-N 2.67Å; E211-W215 PolarHBondContact OE1-NE1 2.78Å; Q212-W215 PolarHBondContact O-N 3.09Å; W215-F217 VanDerWaalsContact C-N 3.33Å; W215-F217 PolarHBondContact O-N 2.9Å; W215-L218 HydrophobicContact CD2-CD1 4.33Å; W215-L218 HydrophobicContact CE3-CB 4.29Å; W215-L218 HydrophobicContact CE3-CD1 3.7Å; W215-L218 HydrophobicContact CZ3-CD1 3.81Å; W215-L218 PolarHBondContact O-N 3.29Å; W215-H219 WeakPolarHBondContact O-CB 3.23Å; W215-H219 PolarHBondContact O-N 3.21Å; W215-A225 HydrophobicContact CE3-CB 4.43Å; W215-A225 HydrophobicContact CH2-CB 4.03Å; W215-A225 HydrophobicContact CZ3-CB 3.91Å; W215-P235 HydrophobicContact CH2-CB 4.34Å; W215-P235 HydrophobicContact CZ3-CB 4.19Å; W215-E236 HydrophobicContact CH2-CG 3.8Å; W215-E236 HydrophobicContact CZ2-CG 4.09Å |
| 216 | Q | 89.6 | Confident | 86.9 | Confident | 100 Ų | 100 | 49.4 Ų | 49.4 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 173.6 | -79.9 | 175.6 | -6 | 0 | 0 | 111.5 | Q212 E213 V214 G220 | Q212-Q216 HydrophobicContact CG-CG 4.49Å; Q212-Q216 WeakPolarHBondContact O-CB 3.5Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.26Å; Q212-Q216 PolarHBondContact O-N 2.98Å; E213-Q216 PolarHBondContact O-N 2.91Å; V214-Q216 PolarHBondContact O-N 3.43Å; Q216-G220 PolarHBondContact O-N 2.91Å |
| 217 | F | 88.8 | Confident | 86.5 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 173.7 | 166.6 | -100.9 | 0 | 0 | 0 | 111.5 | L194 V198 V201 E213 V214 W215 H219 G220 V221 | L194-F217 HydrophobicContact CD1-CE1 4.43Å; V198-F217 HydrophobicContact CG2-CE1 4.4Å; V201-F217 HydrophobicContact CG1-CB 4.42Å; V201-F217 HydrophobicContact CG2-CB 4Å; V201-F217 HydrophobicContact CG2-CD1 3.83Å; V201-F217 HydrophobicContact CG2-CD2 3.53Å; V201-F217 HydrophobicContact CG2-CE1 4.21Å; V201-F217 HydrophobicContact CG2-CE2 3.94Å; V201-F217 HydrophobicContact CG2-CG 3.48Å; V201-F217 VanDerWaalsContact CG2-CG 3.48Å; V201-F217 HydrophobicContact CG2-CZ 4.28Å; E213-F217 PolarHBondContact O-N 3.07Å; V214-F217 WeakPolarHBondContact O-CB 3.39Å; V214-F217 PolarHBondContact O-N 3.31Å; W215-F217 VanDerWaalsContact C-N 3.33Å; W215-F217 PolarHBondContact O-N 2.9Å; F217-H219 VanDerWaalsContact C-N 3.33Å; F217-H219 PolarHBondContact O-N 3.16Å; F217-G220 WeakPolarHBondContact O-CA 3.36Å; F217-G220 PolarHBondContact O-N 3.29Å; F217-V221 HydrophobicContact CD2-CG1 4.33Å; F217-V221 HydrophobicContact CE1-CG1 4.44Å; F217-V221 HydrophobicContact CE1-CG2 4.18Å; F217-V221 HydrophobicContact CE2-CG1 3.66Å; F217-V221 HydrophobicContact CZ-CG1 3.7Å; F217-V221 HydrophobicContact CZ-CG2 4.22Å; F217-V221 PolarHBondContact O-N 2.94Å |
| 218 | L | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 179.2 | -69.9 | 177.5 | 0 | 0 | 0 | 111.3 | L194 V198 V214 W215 G220 V221 G222 V223 I239 | L194-L218 HydrophobicContact CD1-CD2 3.73Å; L194-L218 HydrophobicContact CD2-CD2 4.33Å; L194-L218 HydrophobicContact CG-CD2 4.32Å; V198-L218 HydrophobicContact CG2-CD2 4.21Å; V214-L218 HydrophobicContact CG1-CD1 4.21Å; V214-L218 HydrophobicContact CG1-CG 4.45Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 3.23Å; W215-L218 HydrophobicContact CD2-CD1 4.33Å; W215-L218 HydrophobicContact CE3-CB 4.29Å; W215-L218 HydrophobicContact CE3-CD1 3.7Å; W215-L218 HydrophobicContact CZ3-CD1 3.81Å; W215-L218 PolarHBondContact O-N 3.29Å; L218-G220 VanDerWaalsContact C-N 3.34Å; L218-G220 PolarHBondContact O-N 3.22Å; L218-V221 CarbonylContact O-C 3.58Å; L218-V221 VanDerWaalsContact O-CG2 3.25Å; L218-V221 WeakPolarHBondContact O-CG2 3.47Å; L218-V221 PolarHBondContact O-N 2.88Å; L218-V221 VanDerWaalsContact O-N 3.16Å; L218-G222 PolarHBondContact O-N 2.98Å; L218-G222 VanDerWaalsContact O-N 3.1Å; L218-V223 CarbonylContact C-O 3.58Å; L218-V223 HydrophobicContact CB-CB 4.13Å; L218-V223 HydrophobicContact CB-CG1 4.35Å; L218-V223 HydrophobicContact CD2-CB 4.29Å; L218-V223 HydrophobicContact CD2-CG1 4.24Å; L218-V223 PolarHBondContact O-N 3.17Å; L218-V223 VanDerWaalsContact O-O 3.07Å; L218-I239 HydrophobicContact CD1-CD1 4.21Å; L218-I239 HydrophobicContact CD1-CG1 4.4Å |
| 219 | H | 84.8 | Confident | 84.7 | Confident | 82 Ų | 82 | 55.1 Ų | 55.1 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 172.9 | -80.6 | 171.1 | 0 | 0 | 0 | 112.3 | W215 F217 V221 G222 V223 Y224 | W215-H219 WeakPolarHBondContact O-CB 3.23Å; W215-H219 PolarHBondContact O-N 3.21Å; F217-H219 VanDerWaalsContact C-N 3.33Å; F217-H219 PolarHBondContact O-N 3.16Å; H219-V221 PolarHBondContact O-N 3.21Å; H219-G222 PolarHBondContact O-N 2.76Å; H219-V223 PolarHBondContact CD2-O 3.17Å; H219-V223 PolarHBondContact N-O 3.06Å; H219-Y224 HydrophobicContact CB-CE1 4.34Å; H219-Y224 AromaticContact CD2-CD1 3.14Å; H219-Y224 WeakPolarHBondContact CD2-CD1 3.44Å; H219-Y224 AromaticContact CD2-CE1 3.75Å; H219-Y224 AromaticContact CD2-CG 3.86Å; H219-Y224 AromaticContact CG-CD1 3.97Å; H219-Y224 AromaticContact NE2-CD1 3.52Å |
| 220 | G | 79.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -33 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q216 F217 L218 G222 | Q216-G220 PolarHBondContact O-N 2.91Å; F217-G220 WeakPolarHBondContact O-CA 3.36Å; F217-G220 PolarHBondContact O-N 3.29Å; L218-G220 VanDerWaalsContact C-N 3.34Å; L218-G220 PolarHBondContact O-N 3.22Å; G220-G222 VanDerWaalsContact C-N 3.35Å |
| 221 | V | 76.8 | Confident | 81.8 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 9.8 | 175.1 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | R150 L153 V154 L194 F217 L218 H219 V223 | R150-V221 VanDerWaalsContact CZ-O 3.22Å; R150-V221 PolarHBondContact NE-O 3.27Å; R150-V221 PolarHBondContact NH2-O 3.45Å; L153-V221 HydrophobicContact CD2-CG1 4.16Å; V154-V221 HydrophobicContact CG2-CB 3.81Å; V154-V221 HydrophobicContact CG2-CG1 4.27Å; V154-V221 HydrophobicContact CG2-CG2 4.22Å; L194-V221 HydrophobicContact CD1-CG2 4.47Å; F217-V221 HydrophobicContact CD2-CG1 4.33Å; F217-V221 HydrophobicContact CE1-CG1 4.44Å; F217-V221 HydrophobicContact CE1-CG2 4.18Å; F217-V221 HydrophobicContact CE2-CG1 3.66Å; F217-V221 HydrophobicContact CZ-CG1 3.7Å; F217-V221 HydrophobicContact CZ-CG2 4.22Å; F217-V221 PolarHBondContact O-N 2.94Å; L218-V221 CarbonylContact O-C 3.58Å; L218-V221 VanDerWaalsContact O-CG2 3.25Å; L218-V221 WeakPolarHBondContact O-CG2 3.47Å; L218-V221 PolarHBondContact O-N 2.88Å; L218-V221 VanDerWaalsContact O-N 3.16Å; H219-V221 PolarHBondContact O-N 3.21Å; V221-V223 HydrophobicContact CG2-CG2 4.16Å |
| 222 | G | 76.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 24.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L218 H219 G220 Y224 | L218-G222 PolarHBondContact O-N 2.98Å; L218-G222 VanDerWaalsContact O-N 3.1Å; H219-G222 PolarHBondContact O-N 2.76Å; G220-G222 VanDerWaalsContact C-N 3.35Å; G222-Y224 WeakPolarHBondContact O-CD2 3.3Å; G222-Y224 WeakPolarHBondContact O-CE2 3.46Å |
| 223 | V | 82.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | trans | -106.2 | 117.7 | 174.3 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | L194 L218 H219 V221 F232 P235 | L194-V223 HydrophobicContact CD2-CG2 4.43Å; L218-V223 CarbonylContact C-O 3.58Å; L218-V223 HydrophobicContact CB-CB 4.13Å; L218-V223 HydrophobicContact CB-CG1 4.35Å; L218-V223 HydrophobicContact CD2-CB 4.29Å; L218-V223 HydrophobicContact CD2-CG1 4.24Å; L218-V223 PolarHBondContact O-N 3.17Å; L218-V223 VanDerWaalsContact O-O 3.07Å; H219-V223 PolarHBondContact CD2-O 3.17Å; H219-V223 PolarHBondContact N-O 3.06Å; V221-V223 HydrophobicContact CG2-CG2 4.16Å; V223-F232 HydrophobicContact CG2-CD2 4.41Å; V223-P235 HydrophobicContact CG1-CB 3.52Å; V223-P235 HydrophobicContact CG1-CG 3.46Å; V223-P235 VanDerWaalsContact CG1-CG 3.46Å | ||
| 224 | Y | 82 | Confident | 79.2 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 24% | 0.239 | 28% | 0.28 | C | S | . | . | trans | -123.7 | 135.6 | -170.2 | -55.9 | -91.6 | 0 | 0 | 0 | 111.9 | H219 G222 K227 P235 | H219-Y224 HydrophobicContact CB-CE1 4.34Å; H219-Y224 AromaticContact CD2-CD1 3.14Å; H219-Y224 WeakPolarHBondContact CD2-CD1 3.44Å; H219-Y224 AromaticContact CD2-CE1 3.75Å; H219-Y224 AromaticContact CD2-CG 3.86Å; H219-Y224 AromaticContact CG-CD1 3.97Å; H219-Y224 AromaticContact NE2-CD1 3.52Å; G222-Y224 WeakPolarHBondContact O-CD2 3.3Å; G222-Y224 WeakPolarHBondContact O-CE2 3.46Å; Y224-K227 HydrophobicContact CD2-CD 4.47Å; Y224-K227 HydrophobicContact CG-CD 4.41Å; Y224-K227 PolarHBondContact O-N 2.7Å; Y224-P235 VanDerWaalsContact O-CG 3.3Å; Y224-P235 WeakPolarHBondContact O-CG 3.36Å | ||
| 225 | A | 80.9 | Confident | 78.8 | Confident | 43 Ų | 43 | 50.9 Ų | 50.9 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 141.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | W215 K227 | W215-A225 HydrophobicContact CE3-CB 4.43Å; W215-A225 HydrophobicContact CH2-CB 4.03Å; W215-A225 HydrophobicContact CZ3-CB 3.91Å; A225-K227 PolarHBondContact O-N 2.7Å; A225-K227 VanDerWaalsContact O-N 3.11Å |
| 226 | G | 78.1 | Confident | 78.5 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 2.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 227 | K | 77.7 | Confident | 78.3 | Confident | 135 Ų | 135 | 52.7 Ų | 52.7 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -115.7 | 116.1 | 174.7 | -65.5 | -173.7 | -178.1 | 175 | 0 | 110.7 | Y224 A225 H229 P235 | Y224-K227 HydrophobicContact CD2-CD 4.47Å; Y224-K227 HydrophobicContact CG-CD 4.41Å; Y224-K227 PolarHBondContact O-N 2.7Å; A225-K227 PolarHBondContact O-N 2.7Å; A225-K227 VanDerWaalsContact O-N 3.11Å; K227-H229 PolarHBondContact O-N 2.94Å; K227-H229 VanDerWaalsContact O-N 3.15Å; K227-P235 VanDerWaalsContact O-CD 3.26Å; K227-P235 WeakPolarHBondContact O-CD 3.06Å |
| 228 | K | 76.1 | Confident | 78.1 | Confident | 173 Ų | 173 | 50.8 Ų | 50.8 | 75% | 0.752 | 28% | 0.282 | S | S | * | . | trans | -60 | 118.9 | 177.3 | -165.8 | 169.8 | -173.2 | 165.6 | 0 | 110.8 | ||||
| 229 | H | 70.3 | Confident | 78.1 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -87.9 | 136.8 | 174.5 | -166.5 | -81.6 | 0 | 0 | 0 | 109.7 | F155 K227 I231 F232 G233 | F155-H229 AromaticContact CE1-CE1 3.49Å; F155-H229 VanDerWaalsContact CE1-CE1 3.49Å; F155-H229 WeakPolarHBondContact CE1-CE1 3.35Å; F155-H229 AromaticContact CZ-CE1 3.58Å; F155-H229 AromaticContact CZ-NE2 4Å; K227-H229 PolarHBondContact O-N 2.94Å; K227-H229 VanDerWaalsContact O-N 3.15Å; H229-I231 PolarHBondContact ND1-N 2.92Å; H229-I231 PolarHBondContact O-N 3.37Å; H229-F232 HydrophobicContact CB-CB 4.31Å; H229-F232 HydrophobicContact CB-CD2 4.37Å; H229-F232 AromaticContact CE1-CD2 3.72Å; H229-F232 AromaticContact CE1-CE2 3.76Å; H229-F232 AromaticContact CG-CD2 3.73Å; H229-F232 AromaticContact ND1-CD2 3.24Å; H229-F232 WeakPolarHBondContact ND1-CD2 3.39Å; H229-F232 AromaticContact ND1-CE2 3.75Å; H229-F232 PolarHBondContact O-N 3.15Å; H229-G233 PolarHBondContact N-O 2.73Å; H229-G233 PolarHBondContact O-N 2.97Å |
| 230 | L | 64.1 | Low | 78.2 | Confident | 84 Ų | 84 | 55 Ų | 55 | 44% | 0.44 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -27.9 | -175.4 | -166.2 | 72.6 | 0 | 0 | 0 | 113.5 | ||
| 231 | I | 63.6 | Low | 78.6 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -38.1 | -172.3 | -59.4 | -176.5 | 0 | 0 | 0 | 113.2 | L114 F155 S185 L189 H229 | L114-I231 HydrophobicContact CD1-CD1 3.28Å; L114-I231 HydrophobicContact CD1-CG1 4.39Å; L114-I231 HydrophobicContact CD2-CD1 3.54Å; L114-I231 HydrophobicContact CG-CD1 3.92Å; F155-I231 HydrophobicContact CD1-CB 4.22Å; F155-I231 HydrophobicContact CD1-CD1 3.19Å; F155-I231 HydrophobicContact CD1-CG1 4.2Å; F155-I231 HydrophobicContact CD1-CG2 4.1Å; F155-I231 HydrophobicContact CE1-CB 3.95Å; F155-I231 HydrophobicContact CE1-CD1 3.17Å; F155-I231 HydrophobicContact CE1-CG1 3.93Å; F155-I231 HydrophobicContact CE1-CG2 4.31Å; F155-I231 HydrophobicContact CG-CD1 4.07Å; F155-I231 HydrophobicContact CZ-CD1 4.01Å; S185-I231 WeakPolarHBondContact CB-O 3.38Å; L189-I231 HydrophobicContact CB-CG2 3.85Å; L189-I231 HydrophobicContact CD1-CB 4.22Å; L189-I231 HydrophobicContact CD1-CD1 3.46Å; L189-I231 VanDerWaalsContact CD1-CD1 3.46Å; L189-I231 HydrophobicContact CD1-CG1 3.49Å; L189-I231 VanDerWaalsContact CD1-CG1 3.49Å; L189-I231 HydrophobicContact CD1-CG2 3.89Å; H229-I231 PolarHBondContact ND1-N 2.92Å; H229-I231 PolarHBondContact O-N 3.37Å |
| 232 | F | 63.6 | Low | 79.1 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 1.7 | -172.5 | -53 | -65.3 | 0 | 0 | 0 | 112.6 | V154 F155 R191 L194 V223 H229 F238 | V154-F232 HydrophobicContact CG1-CE2 3.46Å; V154-F232 VanDerWaalsContact CG1-CE2 3.46Å; V154-F232 HydrophobicContact CG1-CZ 3.68Å; V154-F232 VanDerWaalsContact O-CZ 3.31Å; V154-F232 WeakPolarHBondContact O-CZ 3.35Å; F155-F232 AromaticContact CD1-CE2 3.98Å; F155-F232 HydrophobicContact CD1-CE2 3.98Å; F155-F232 AromaticContact CD1-CZ 3.68Å; F155-F232 HydrophobicContact CD1-CZ 3.68Å; F155-F232 AromaticContact CE1-CE2 3.47Å; F155-F232 HydrophobicContact CE1-CE2 3.47Å; F155-F232 VanDerWaalsContact CE1-CE2 3.47Å; F155-F232 AromaticContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CZ-CE2 4.34Å; R191-F232 HydrophobicContact CB-CD1 4.46Å; R191-F232 HydrophobicContact CG-CD1 4.22Å; L194-F232 HydrophobicContact CB-CD1 4.32Å; L194-F232 HydrophobicContact CB-CE1 3.7Å; L194-F232 HydrophobicContact CB-CE2 4.37Å; L194-F232 HydrophobicContact CB-CZ 3.76Å; L194-F232 HydrophobicContact CD2-CD1 3.88Å; L194-F232 HydrophobicContact CD2-CD2 3.71Å; L194-F232 HydrophobicContact CD2-CE1 4Å; L194-F232 HydrophobicContact CD2-CE2 3.85Å; L194-F232 HydrophobicContact CD2-CG 3.76Å; L194-F232 HydrophobicContact CD2-CZ 4.01Å; L194-F232 HydrophobicContact CG-CZ 4.46Å; V223-F232 HydrophobicContact CG2-CD2 4.41Å; H229-F232 HydrophobicContact CB-CB 4.31Å; H229-F232 HydrophobicContact CB-CD2 4.37Å; H229-F232 AromaticContact CE1-CD2 3.72Å; H229-F232 AromaticContact CE1-CE2 3.76Å; H229-F232 AromaticContact CG-CD2 3.73Å; H229-F232 AromaticContact ND1-CD2 3.24Å; H229-F232 WeakPolarHBondContact ND1-CD2 3.39Å; H229-F232 AromaticContact ND1-CE2 3.75Å; H229-F232 PolarHBondContact O-N 3.15Å; F232-F238 HydrophobicContact CB-CB 4.45Å; F232-F238 HydrophobicContact CD1-CD2 4.37Å |
| 233 | G | 75.7 | Confident | 79.8 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | 65.9 | -138.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | H229 P235 | H229-G233 PolarHBondContact N-O 2.73Å; H229-G233 PolarHBondContact O-N 2.97Å; G233-P235 WeakPolarHBondContact O-CD 3.27Å |
| 234 | E | 82.7 | Confident | 80.1 | Confident | 86 Ų | 86 | 63 Ų | 63 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -77.2 | 125.5 | 171.8 | -62.6 | -164 | 171.9 | 0 | 0 | 110.1 | E236 E237 F238 | E234-E236 PolarHBondContact O-N 3.3Å; E234-E236 VanDerWaalsContact O-N 3.11Å; E234-E237 HydrophobicContact CB-CB 4.26Å; E234-E237 HydrophobicContact CB-CG 3.93Å; E234-E237 WeakPolarHBondContact O-CA 3.42Å; E234-E237 WeakPolarHBondContact O-CB 3.4Å; E234-E237 PolarHBondContact O-N 3.41Å; E234-F238 PolarHBondContact O-N 3.42Å |
| 235 | P | 82.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -27.7 | -177.3 | -33.6 | 43.1 | 0 | 0 | 0 | 114.9 | W215 V223 Y224 K227 G233 F238 I239 | W215-P235 HydrophobicContact CH2-CB 4.34Å; W215-P235 HydrophobicContact CZ3-CB 4.19Å; V223-P235 HydrophobicContact CG1-CB 3.52Å; V223-P235 HydrophobicContact CG1-CG 3.46Å; V223-P235 VanDerWaalsContact CG1-CG 3.46Å; Y224-P235 VanDerWaalsContact O-CG 3.3Å; Y224-P235 WeakPolarHBondContact O-CG 3.36Å; K227-P235 VanDerWaalsContact O-CD 3.26Å; K227-P235 WeakPolarHBondContact O-CD 3.06Å; G233-P235 WeakPolarHBondContact O-CD 3.27Å; P235-F238 WeakPolarHBondContact O-CB 3.19Å; P235-F238 PolarHBondContact O-N 2.95Å; P235-I239 WeakPolarHBondContact O-CG1 3.23Å; P235-I239 PolarHBondContact O-N 3.43Å; P235-I239 VanDerWaalsContact O-N 3.09Å |
| 236 | E | 85.8 | Confident | 80.8 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 174 | -67.7 | 175.8 | -157 | 0 | 0 | 112.3 | W215 E234 F238 I239 R240 | W215-E236 HydrophobicContact CH2-CG 3.8Å; W215-E236 HydrophobicContact CZ2-CG 4.09Å; E234-E236 PolarHBondContact O-N 3.3Å; E234-E236 VanDerWaalsContact O-N 3.11Å; E236-F238 VanDerWaalsContact C-N 3.34Å; E236-I239 PolarHBondContact O-N 2.81Å; E236-R240 WeakPolarHBondContact O-CB 3.44Å; E236-R240 PolarHBondContact O-N 2.89Å |
| 237 | E | 84.4 | Confident | 81.5 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 171.1 | -67 | 179.3 | 153 | 0 | 0 | 110.5 | E234 I239 R240 D241 | E234-E237 HydrophobicContact CB-CB 4.26Å; E234-E237 HydrophobicContact CB-CG 3.93Å; E234-E237 WeakPolarHBondContact O-CA 3.42Å; E234-E237 WeakPolarHBondContact O-CB 3.4Å; E234-E237 PolarHBondContact O-N 3.41Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.4Å; E237-R240 WeakPolarHBondContact O-CB 3.46Å; E237-R240 PolarHBondContact O-N 2.73Å; E237-R240 VanDerWaalsContact O-N 3.16Å; E237-D241 WeakPolarHBondContact O-CB 3.29Å; E237-D241 VanDerWaalsContact O-CG 3.32Å; E237-D241 PolarHBondContact O-N 3.18Å |
| 238 | F | 84.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.4 | -46 | 175.3 | 170 | -96.7 | 0 | 0 | 0 | 112.3 | R191 L194 L195 F232 E234 P235 E236 R240 D241 V242 | R191-F238 HydrophobicContact CB-CE2 4.26Å; L194-F238 HydrophobicContact CB-CE1 4.44Å; L194-F238 HydrophobicContact CB-CE2 4.49Å; L194-F238 HydrophobicContact CB-CZ 3.96Å; L194-F238 HydrophobicContact CD2-CD1 3.86Å; L194-F238 HydrophobicContact CD2-CE1 3.59Å; L194-F238 HydrophobicContact CD2-CE2 4.32Å; L194-F238 HydrophobicContact CD2-CG 4.34Å; L194-F238 HydrophobicContact CD2-CZ 3.85Å; L194-F238 HydrophobicContact CG-CE1 3.75Å; L194-F238 HydrophobicContact CG-CZ 3.8Å; L195-F238 HydrophobicContact CB-CZ 4.32Å; F232-F238 HydrophobicContact CB-CB 4.45Å; F232-F238 HydrophobicContact CD1-CD2 4.37Å; E234-F238 PolarHBondContact O-N 3.42Å; P235-F238 WeakPolarHBondContact O-CB 3.19Å; P235-F238 PolarHBondContact O-N 2.95Å; E236-F238 VanDerWaalsContact C-N 3.34Å; F238-R240 VanDerWaalsContact C-N 3.34Å; F238-D241 PolarHBondContact O-N 3.23Å; F238-V242 HydrophobicContact CD2-CG1 4.33Å; F238-V242 HydrophobicContact CE1-CG1 4.24Å; F238-V242 HydrophobicContact CE2-CG1 3.79Å; F238-V242 HydrophobicContact CZ-CG1 3.74Å; F238-V242 WeakPolarHBondContact O-CG2 3.19Å; F238-V242 PolarHBondContact O-N 2.83Å |
| 239 | I | 88 | Confident | 83.2 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.087 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 177 | -68.9 | -64.4 | 0 | 0 | 0 | 111.1 | V214 L218 P235 E236 E237 V242 V243 F263 | V214-I239 HydrophobicContact CG1-CD1 4.44Å; L218-I239 HydrophobicContact CD1-CD1 4.21Å; L218-I239 HydrophobicContact CD1-CG1 4.4Å; P235-I239 WeakPolarHBondContact O-CG1 3.23Å; P235-I239 PolarHBondContact O-N 3.43Å; P235-I239 VanDerWaalsContact O-N 3.09Å; E236-I239 PolarHBondContact O-N 2.81Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.4Å; I239-V242 WeakPolarHBondContact O-CG2 3.27Å; I239-V242 PolarHBondContact O-N 2.71Å; I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.24Å; I239-V243 PolarHBondContact O-N 3.18Å; I239-V243 VanDerWaalsContact O-N 3.14Å; I239-F263 HydrophobicContact CG2-CE1 3.8Å; I239-F263 HydrophobicContact CG2-CZ 3.64Å |
| 240 | R | 88.1 | Confident | 84.4 | Confident | 153 Ų | 153 | 53.2 Ų | 53.2 | 58% | 0.577 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.7 | -45.3 | 175.9 | -164.8 | -169 | -41.8 | -75 | -6.2 | 111.8 | E236 E237 F238 V243 Q244 | E236-R240 WeakPolarHBondContact O-CB 3.44Å; E236-R240 PolarHBondContact O-N 2.89Å; E237-R240 WeakPolarHBondContact O-CB 3.46Å; E237-R240 PolarHBondContact O-N 2.73Å; E237-R240 VanDerWaalsContact O-N 3.16Å; F238-R240 VanDerWaalsContact C-N 3.34Å; R240-V243 PolarHBondContact O-N 2.69Å; R240-Q244 WeakPolarHBondContact O-CB 3.01Å; R240-Q244 PolarHBondContact O-N 3.44Å |
| 241 | D | 86.3 | Confident | 85.8 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 178.9 | -76.6 | -2.2 | 0 | 0 | 0 | 111.2 | R191 E237 F238 V243 Q244 E245 | R191-D241 IonicContact NH1-OD2 2.7Å; R191-D241 PolarHBondContact NH1-OD2 2.85Å; E237-D241 WeakPolarHBondContact O-CB 3.29Å; E237-D241 VanDerWaalsContact O-CG 3.32Å; E237-D241 PolarHBondContact O-N 3.18Å; F238-D241 PolarHBondContact O-N 3.23Å; D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 2.8Å; D241-Q244 PolarHBondContact O-N 2.72Å; D241-E245 VanDerWaalsContact O-CB 3.31Å; D241-E245 WeakPolarHBondContact O-CB 3.45Å; D241-E245 WeakPolarHBondContact O-CG 3.17Å; D241-E245 PolarHBondContact O-N 3.32Å |
| 242 | V | 88.4 | Confident | 87.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.9 | -27.4 | -178.8 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | L195 F238 I239 Y247 L248 | L195-V242 HydrophobicContact CD1-CB 4.25Å; L195-V242 HydrophobicContact CD1-CG1 4.02Å; F238-V242 HydrophobicContact CD2-CG1 4.33Å; F238-V242 HydrophobicContact CE1-CG1 4.24Å; F238-V242 HydrophobicContact CE2-CG1 3.79Å; F238-V242 HydrophobicContact CZ-CG1 3.74Å; F238-V242 WeakPolarHBondContact O-CG2 3.19Å; F238-V242 PolarHBondContact O-N 2.83Å; I239-V242 WeakPolarHBondContact O-CG2 3.27Å; I239-V242 PolarHBondContact O-N 2.71Å; V242-Y247 WeakPolarHBondContact O-CB 3.41Å; V242-Y247 PolarHBondContact O-N 2.9Å; V242-L248 HydrophobicContact CB-CD1 4.5Å; V242-L248 HydrophobicContact CB-CG 4.48Å; V242-L248 HydrophobicContact CG2-CB 4.49Å; V242-L248 HydrophobicContact CG2-CD1 3.57Å; V242-L248 HydrophobicContact CG2-CG 4.02Å; V242-L248 PolarHBondContact O-N 3.07Å; V242-L248 VanDerWaalsContact O-N 3.15Å |
| 243 | V | 91.6 | Very high | 88.6 | Confident | 42 Ų | 42 | 59 Ų | 59 | 26% | 0.255 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.5 | -46.7 | 170.8 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | I239 R240 D241 E245 N246 L248 F263 | I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.24Å; I239-V243 PolarHBondContact O-N 3.18Å; I239-V243 VanDerWaalsContact O-N 3.14Å; R240-V243 PolarHBondContact O-N 2.69Å; D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 2.8Å; V243-E245 VanDerWaalsContact C-N 3.29Å; V243-E245 PolarHBondContact O-N 3.03Å; V243-N246 WeakPolarHBondContact O-CA 3.18Å; V243-N246 PolarHBondContact O-N 2.76Å; V243-L248 WeakPolarHBondContact CA-O 3.34Å; V243-L248 HydrophobicContact CG2-CB 3.97Å; V243-F263 HydrophobicContact CG2-CE1 4.13Å |
| 244 | Q | 89.1 | Confident | 89.3 | Confident | 152 Ų | 152 | 63.3 Ų | 63.3 | 71% | 0.71 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.5 | -36.2 | 178.5 | -171.7 | 64.2 | 31.2 | 0 | 0 | 112.4 | R240 D241 N246 | R240-Q244 WeakPolarHBondContact O-CB 3.01Å; R240-Q244 PolarHBondContact O-N 3.44Å; D241-Q244 PolarHBondContact O-N 2.72Å; Q244-N246 PolarHBondContact O-N 3.02Å; Q244-N246 PolarHBondContact O-ND2 3.13Å |
| 245 | E | 87.1 | Confident | 89.5 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 2.8 | 174.2 | -73.5 | -159.5 | -160.3 | 0 | 0 | 113.4 | S182 L183 D241 V243 Y247 R268 | S182-E245 PolarHBondContact OG-OE1 3.37Å; S182-E245 PolarHBondContact OG-OE2 3.2Å; L183-E245 VanDerWaalsContact CD2-CD 3.45Å; L183-E245 VanDerWaalsContact CD2-OE1 3.26Å; L183-E245 WeakPolarHBondContact CD2-OE1 3.45Å; L183-E245 WeakPolarHBondContact CD2-OE2 3.4Å; L183-E245 WeakPolarHBondContact CG-OE2 3.44Å; D241-E245 VanDerWaalsContact O-CB 3.31Å; D241-E245 WeakPolarHBondContact O-CB 3.45Å; D241-E245 WeakPolarHBondContact O-CG 3.17Å; D241-E245 PolarHBondContact O-N 3.32Å; V243-E245 VanDerWaalsContact C-N 3.29Å; V243-E245 PolarHBondContact O-N 3.03Å; E245-Y247 HydrophobicContact CB-CD2 3.79Å; E245-Y247 HydrophobicContact CB-CE2 4.14Å; E245-Y247 PolarHBondContact O-N 2.87Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.36Å; E245-R268 WeakPolarHBondContact O-CD 3.5Å; E245-R268 IonicContact OE2-CZ 2.69Å; E245-R268 IonicContact OE2-NH1 3.54Å; E245-R268 PolarHBondContact OE2-NH1 3.15Å |
| 246 | N | 89.9 | Confident | 89.8 | Confident | 92 Ų | 92 | 64.3 Ų | 64.3 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 23.9 | 178.8 | -52.5 | -75.2 | 0 | 0 | 0 | 114.6 | V243 Q244 G266 P267 R268 | V243-N246 WeakPolarHBondContact O-CA 3.18Å; V243-N246 PolarHBondContact O-N 2.76Å; Q244-N246 PolarHBondContact O-N 3.02Å; Q244-N246 PolarHBondContact O-ND2 3.13Å; N246-G266 CarbonylContact O-C 3.07Å; N246-G266 VanDerWaalsContact O-C 3.28Å; N246-G266 WeakPolarHBondContact O-CA 3.33Å; N246-P267 HydrophobicContact CB-CG 3.95Å; N246-P267 WeakPolarHBondContact O-CD 3.4Å; N246-R268 HydrophobicContact CB-CB 4.25Å; N246-R268 VanDerWaalsContact O-CB 3.26Å; N246-R268 WeakPolarHBondContact O-CB 3.41Å; N246-R268 PolarHBondContact O-N 2.92Å |
| 247 | Y | 91.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -78.2 | -33.7 | 168.4 | -77.7 | -77.3 | 0 | 0 | 0 | 111.9 | L183 L195 V242 E245 G266 R268 A269 E272 | L183-Y247 HydrophobicContact CD1-CD2 4.25Å; L183-Y247 HydrophobicContact CD1-CE2 3.53Å; L183-Y247 HydrophobicContact CG-CE2 4.33Å; L195-Y247 HydrophobicContact CD1-CD1 4.39Å; L195-Y247 HydrophobicContact CD1-CG 4.08Å; L195-Y247 HydrophobicContact CD2-CD1 3.66Å; L195-Y247 HydrophobicContact CD2-CD2 3.88Å; L195-Y247 HydrophobicContact CD2-CE1 3.76Å; L195-Y247 HydrophobicContact CD2-CE2 4Å; L195-Y247 HydrophobicContact CD2-CG 3.69Å; V242-Y247 WeakPolarHBondContact O-CB 3.41Å; V242-Y247 PolarHBondContact O-N 2.9Å; E245-Y247 HydrophobicContact CB-CD2 3.79Å; E245-Y247 HydrophobicContact CB-CE2 4.14Å; E245-Y247 PolarHBondContact O-N 2.87Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.36Å; Y247-G266 PolarHBondContact O-N 2.96Å; Y247-R268 HydrophobicContact CD1-CB 4.37Å; Y247-R268 HydrophobicContact CD1-CG 4.3Å; Y247-R268 HydrophobicContact CE1-CG 4.01Å; Y247-R268 HydrophobicContact CE2-CG 4.34Å; Y247-A269 HydrophobicContact CD1-CB 4.08Å; Y247-A269 VanDerWaalsContact O-CB 3.25Å; Y247-A269 WeakPolarHBondContact O-CB 3.17Å; Y247-E272 PolarHBondContact OH-OE1 3.25Å; Y247-E272 PolarHBondContact OH-OE2 3.11Å |
| 248 | L | 94.7 | Very high | 90 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143 | 175 | -61.7 | -176 | 0 | 0 | 0 | 110.3 | V198 L199 I202 V242 V243 F263 L264 | V198-L248 HydrophobicContact CG1-CD1 3.79Å; V198-L248 HydrophobicContact CG1-CD2 4.47Å; L199-L248 HydrophobicContact CD2-CD2 3.59Å; I202-L248 HydrophobicContact CD1-CD2 3.44Å; I202-L248 VanDerWaalsContact CD1-CD2 3.44Å; V242-L248 HydrophobicContact CB-CD1 4.5Å; V242-L248 HydrophobicContact CB-CG 4.48Å; V242-L248 HydrophobicContact CG2-CB 4.49Å; V242-L248 HydrophobicContact CG2-CD1 3.57Å; V242-L248 HydrophobicContact CG2-CG 4.02Å; V242-L248 PolarHBondContact O-N 3.07Å; V242-L248 VanDerWaalsContact O-N 3.15Å; V243-L248 WeakPolarHBondContact CA-O 3.34Å; V243-L248 HydrophobicContact CG2-CB 3.97Å; L248-F263 HydrophobicContact CB-CD1 4.36Å; L248-F263 HydrophobicContact CD1-CD1 4.12Å; L248-L264 CarbonylContact C-O 3.39Å; L248-L264 VanDerWaalsContact CA-O 3.29Å; L248-L264 WeakPolarHBondContact CA-O 3.26Å |
| 249 | E | 95.6 | Very high | 90.4 | Very high | 88 Ų | 88 | 71.8 Ų | 71.8 | 41% | 0.411 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.8 | 162.6 | -74.3 | 172.7 | -156.3 | 0 | 0 | 108.1 | F263 L264 | E249-F263 CarbonylContact O-C 3.59Å; E249-F263 VanDerWaalsContact O-CA 3.28Å; E249-F263 WeakPolarHBondContact O-CA 3.35Å; E249-L264 HydrophobicContact CB-CB 4.3Å; E249-L264 PolarHBondContact N-O 2.82Å; E249-L264 PolarHBondContact O-N 3.14Å |
| 250 | Y | 95.1 | Very high | 90.5 | Very high | 93 Ų | 93 | 73.4 Ų | 73.4 | 37% | 0.365 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.3 | 173.9 | -179.4 | -110.8 | 0 | 0 | 0 | 108.9 | E211 Y261 F263 | E211-Y250 HydrophobicContact CB-CE2 4.49Å; E211-Y250 HydrophobicContact CG-CE2 4.1Å; E211-Y250 PolarHBondContact OE2-OH 2.88Å; Y250-Y261 HydrophobicContact CD1-CD1 4.31Å; Y250-Y261 AromaticContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CE1 4.09Å; Y250-Y261 HydrophobicContact CE1-CG 4Å; Y250-Y261 HydrophobicContact CE2-CD1 4.24Å; Y250-Y261 HydrophobicContact CE2-CG 4.01Å; Y250-Y261 AromaticContact CZ-CD1 3.53Å; Y250-Y261 AromaticContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact OH-CB 3.3Å; Y250-Y261 WeakPolarHBondContact OH-CB 3.34Å; Y250-Y261 WeakPolarHBondContact OH-CD2 3.29Å; Y250-F263 AromaticContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD2 4.44Å; Y250-F263 AromaticContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE2 4.08Å; Y250-F263 HydrophobicContact CD2-CG 4.29Å; Y250-F263 AromaticContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CD2-CZ 3.46Å; Y250-F263 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CE2-CE1 4.03Å; Y250-F263 HydrophobicContact CE2-CE2 4.16Å; Y250-F263 AromaticContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CG-CD1 4.38Å; Y250-F263 AromaticContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CZ 4.43Å |
| 251 | R | 94.3 | Very high | 90.8 | Very high | 86 Ų | 86 | 70.3 Ų | 70.3 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 155.5 | -178.3 | 70.2 | 179.8 | -173.3 | -160.7 | -2.8 | 112.5 | Y261 E262 L264 | R251-Y261 WeakPolarHBondContact O-CA 3.4Å; R251-E262 HydrophobicContact CG-CG 3.97Å; R251-E262 IonicContact CZ-OE1 2.77Å; R251-E262 VanDerWaalsContact CZ-OE1 3.27Å; R251-E262 PolarHBondContact N-O 2.93Å; R251-E262 VanDerWaalsContact N-O 3.07Å; R251-E262 IonicContact NE-OE1 3.36Å; R251-E262 PolarHBondContact NE-OE1 3.46Å; R251-E262 IonicContact NH2-OE1 2.87Å; R251-E262 PolarHBondContact NH2-OE1 2.88Å; R251-E262 PolarHBondContact O-N 3.18Å; R251-L264 HydrophobicContact CG-CD1 3.99Å |
| 252 | Q | 94.1 | Very high | 91.3 | Very high | 96 Ų | 96 | 68.4 Ų | 68.4 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 138.2 | 171.4 | -169 | -180 | -3.9 | 0 | 0 | 110.1 | P254 S260 Y261 | Q252-P254 WeakPolarHBondContact O-CD 3.32Å; Q252-S260 CarbonylContact C-O 3.49Å; Q252-S260 WeakPolarHBondContact CA-O 3.28Å; Q252-S260 WeakPolarHBondContact CG-O 3.42Å; Q252-Y261 HydrophobicContact CB-CD1 4.09Å; Q252-Y261 HydrophobicContact CB-CE1 3.92Å; Q252-Y261 HydrophobicContact CG-CE1 4.38Å |
| 253 | V | 92.3 | Very high | 91.6 | Very high | 37 Ų | 37 | 68.4 Ų | 68.4 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 121.3 | 172.8 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | G255 S256 S260 E262 | V253-G255 PolarHBondContact O-N 3.28Å; V253-S256 WeakPolarHBondContact O-CB 3.41Å; V253-S256 PolarHBondContact O-N 3.46Å; V253-S256 PolarHBondContact O-OG 3.13Å; V253-S260 WeakPolarHBondContact CB-OG 3.45Å; V253-S260 PolarHBondContact N-O 3.01Å; V253-E262 HydrophobicContact CG2-CB 4.03Å; V253-E262 HydrophobicContact CG2-CG 3.89Å |
| 254 | P | 90.1 | Very high | 91.9 | Very high | 111 Ų | 111 | 67.4 Ų | 67.4 | 72% | 0.721 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 129.5 | -179.3 | -25.3 | 34.7 | 0 | 0 | 0 | 111.9 | Q252 S256 | Q252-P254 WeakPolarHBondContact O-CD 3.32Å; P254-S256 VanDerWaalsContact C-N 3.3Å; P254-S256 PolarHBondContact O-N 2.89Å |
| 255 | G | 86.8 | Confident | 92.2 | Very high | 85 Ų | 85 | 60.6 Ų | 60.6 | 88% | 0.876 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 15.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V253 | V253-G255 PolarHBondContact O-N 3.28Š|
| 256 | S | 89.1 | Confident | 92.5 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 16% | 0.161 | 33% | 0.334 | C | S | . | . | trans | -73.2 | 127.7 | 173.6 | 51.9 | 0 | 0 | 0 | 0 | 112 | V253 P254 P258 S260 | V253-S256 WeakPolarHBondContact O-CB 3.41Å; V253-S256 PolarHBondContact O-N 3.46Å; V253-S256 PolarHBondContact O-OG 3.13Å; P254-S256 VanDerWaalsContact C-N 3.3Å; P254-S256 PolarHBondContact O-N 2.89Å; S256-P258 CarbonylContact C-O 3.55Å; S256-P258 CarbonylContact O-C 3.46Å; S256-S260 WeakPolarHBondContact CB-OG 3.29Å; S256-S260 PolarHBondContact OG-N 3.49Å | ||
| 257 | D | 86.4 | Confident | 92.6 | Very high | 158 Ų | 158 | 58.5 Ų | 58.5 | 85% | 0.845 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -134.4 | 110.3 | 170.5 | -173.3 | 18.3 | 0 | 0 | 0 | 109.7 | ||
| 258 | P | 88.3 | Confident | 92.5 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 67% | 0.669 | 35% | 0.346 | S | S | * | . | S | Bend | cis | -67.8 | 163 | -0.7 | 30.2 | -36 | 0 | 0 | 0 | 112.8 | S256 S260 | S256-P258 CarbonylContact C-O 3.55Å; S256-P258 CarbonylContact O-C 3.46Å; P258-S260 PolarHBondContact O-N 3.39Å |
| 259 | P | 91.2 | Very high | 92.2 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | trans | -49.8 | 123.9 | 176.8 | -30.4 | 36.9 | 0 | 0 | 0 | 112.6 | ||||
| 260 | S | 91.9 | Very high | 91.9 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | trans | -122.5 | 153.6 | 174.6 | 68 | 0 | 0 | 0 | 0 | 110.9 | Q252 V253 S256 P258 | Q252-S260 CarbonylContact C-O 3.49Å; Q252-S260 WeakPolarHBondContact CA-O 3.28Å; Q252-S260 WeakPolarHBondContact CG-O 3.42Å; V253-S260 WeakPolarHBondContact CB-OG 3.45Å; V253-S260 PolarHBondContact N-O 3.01Å; S256-S260 WeakPolarHBondContact CB-OG 3.29Å; S256-S260 PolarHBondContact OG-N 3.49Å; P258-S260 PolarHBondContact O-N 3.39Å | ||
| 261 | Y | 93.7 | Very high | 91.5 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148 | -175.3 | -62.8 | -95.9 | 0 | 0 | 0 | 111.6 | E211 Y250 R251 Q252 | E211-Y261 PolarHBondContact N-O 3.34Å; Y250-Y261 HydrophobicContact CD1-CD1 4.31Å; Y250-Y261 AromaticContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CE1 4.09Å; Y250-Y261 HydrophobicContact CE1-CG 4Å; Y250-Y261 HydrophobicContact CE2-CD1 4.24Å; Y250-Y261 HydrophobicContact CE2-CG 4.01Å; Y250-Y261 AromaticContact CZ-CD1 3.53Å; Y250-Y261 AromaticContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact OH-CB 3.3Å; Y250-Y261 WeakPolarHBondContact OH-CB 3.34Å; Y250-Y261 WeakPolarHBondContact OH-CD2 3.29Å; R251-Y261 WeakPolarHBondContact O-CA 3.4Å; Q252-Y261 HydrophobicContact CB-CD1 4.09Å; Q252-Y261 HydrophobicContact CB-CE1 3.92Å; Q252-Y261 HydrophobicContact CG-CE1 4.38Å |
| 262 | E | 95.6 | Very high | 91 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.1 | 178 | 62.9 | 172.9 | -164.2 | 0 | 0 | 111.8 | R208 A209 R251 V253 L264 | R208-E262 WeakPolarHBondContact CD-OE2 3.48Å; R208-E262 IonicContact NH1-OE1 2.76Å; R208-E262 PolarHBondContact NH1-OE1 2.92Å; A209-E262 CarbonylContact O-C 3.26Å; A209-E262 WeakPolarHBondContact O-CA 3.4Å; R251-E262 HydrophobicContact CG-CG 3.97Å; R251-E262 IonicContact CZ-OE1 2.77Å; R251-E262 VanDerWaalsContact CZ-OE1 3.27Å; R251-E262 PolarHBondContact N-O 2.93Å; R251-E262 VanDerWaalsContact N-O 3.07Å; R251-E262 IonicContact NE-OE1 3.36Å; R251-E262 PolarHBondContact NE-OE1 3.46Å; R251-E262 IonicContact NH2-OE1 2.87Å; R251-E262 PolarHBondContact NH2-OE1 2.88Å; R251-E262 PolarHBondContact O-N 3.18Å; V253-E262 HydrophobicContact CG2-CB 4.03Å; V253-E262 HydrophobicContact CG2-CG 3.89Å; E262-L264 HydrophobicContact CG-CD1 4.06Å |
| 263 | F | 96.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 140 | 172.2 | -67 | -77.4 | 0 | 0 | 0 | 111.3 | I202 R208 A209 E211 V214 I239 V243 L248 E249 Y250 | I202-F263 HydrophobicContact CD1-CB 3.77Å; I202-F263 HydrophobicContact CG1-CB 4.28Å; R208-F263 WeakPolarHBondContact CA-O 3.25Å; A209-F263 PolarHBondContact N-O 2.93Å; A209-F263 PolarHBondContact O-N 3.32Å; E211-F263 HydrophobicContact CB-CE2 4.16Å; E211-F263 HydrophobicContact CG-CE2 3.67Å; E211-F263 HydrophobicContact CG-CZ 4.21Å; V214-F263 HydrophobicContact CB-CD2 4.03Å; V214-F263 HydrophobicContact CB-CE2 4.15Å; V214-F263 HydrophobicContact CG1-CD2 4.41Å; V214-F263 HydrophobicContact CG1-CE2 4.33Å; V214-F263 HydrophobicContact CG2-CB 4.46Å; V214-F263 HydrophobicContact CG2-CD2 3.6Å; V214-F263 HydrophobicContact CG2-CE2 4.24Å; V214-F263 HydrophobicContact CG2-CG 4.37Å; I239-F263 HydrophobicContact CG2-CE1 3.8Å; I239-F263 HydrophobicContact CG2-CZ 3.64Å; V243-F263 HydrophobicContact CG2-CE1 4.13Å; L248-F263 HydrophobicContact CB-CD1 4.36Å; L248-F263 HydrophobicContact CD1-CD1 4.12Å; E249-F263 CarbonylContact O-C 3.59Å; E249-F263 VanDerWaalsContact O-CA 3.28Å; E249-F263 WeakPolarHBondContact O-CA 3.35Å; Y250-F263 AromaticContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD2 4.44Å; Y250-F263 AromaticContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE2 4.08Å; Y250-F263 HydrophobicContact CD2-CG 4.29Å; Y250-F263 AromaticContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CD2-CZ 3.46Å; Y250-F263 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CE2-CE1 4.03Å; Y250-F263 HydrophobicContact CE2-CE2 4.16Å; Y250-F263 AromaticContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CG-CD1 4.38Å; Y250-F263 AromaticContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CZ 4.43Å |
| 264 | L | 95.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 165.8 | 171 | -58.3 | 92.8 | 0 | 0 | 0 | 109.8 | R208 L248 E249 R251 E262 G266 | R208-L264 HydrophobicContact CG-CD2 3.76Å; R208-L264 HydrophobicContact CG-CG 4.02Å; L248-L264 CarbonylContact C-O 3.39Å; L248-L264 VanDerWaalsContact CA-O 3.29Å; L248-L264 WeakPolarHBondContact CA-O 3.26Å; E249-L264 HydrophobicContact CB-CB 4.3Å; E249-L264 PolarHBondContact N-O 2.82Å; E249-L264 PolarHBondContact O-N 3.14Å; R251-L264 HydrophobicContact CG-CD1 3.99Å; E262-L264 HydrophobicContact CG-CD1 4.06Å; L264-G266 PolarHBondContact O-N 3.38Å |
| 265 | W | 95.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 4% | 0.038 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130 | 167.2 | -74.4 | 30.6 | 0 | 0 | 0 | 109.2 | L199 F203 A269 H270 T273 K275 V278 | L199-W265 HydrophobicContact CB-CZ2 3.83Å; L199-W265 HydrophobicContact CD2-CB 4.49Å; L199-W265 HydrophobicContact CD2-CD2 3.87Å; L199-W265 HydrophobicContact CD2-CG 3.74Å; L199-W265 PolarHBondContact O-NE1 3.08Å; F203-W265 HydrophobicContact CB-CZ2 4.23Å; W265-A269 HydrophobicContact CB-CB 4.26Å; W265-A269 HydrophobicContact CD2-CB 4.33Å; W265-A269 HydrophobicContact CE3-CB 4.07Å; W265-A269 HydrophobicContact CG-CB 4.43Å; W265-H270 WeakPolarHBondContact CB-NE2 3.46Å; W265-H270 AromaticContact CE3-CE1 3.88Å; W265-H270 AromaticContact CE3-ND1 3.93Å; W265-T273 HydrophobicContact CH2-CG2 4.08Å; W265-T273 HydrophobicContact CZ3-CG2 3.84Å; W265-K275 HydrophobicContact CH2-CG 3.96Å; W265-K275 HydrophobicContact CZ2-CG 4.41Å; W265-K275 HydrophobicContact CZ3-CG 4.18Å; W265-V278 HydrophobicContact CH2-CB 4.08Å; W265-V278 HydrophobicContact CH2-CG2 3.47Å; W265-V278 VanDerWaalsContact CH2-CG2 3.47Å; W265-V278 HydrophobicContact CZ2-CB 4.14Å; W265-V278 HydrophobicContact CZ2-CG1 4.26Å; W265-V278 HydrophobicContact CZ2-CG2 3.71Å |
| 266 | G | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -85.7 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N246 Y247 L264 R268 A269 H270 | N246-G266 CarbonylContact O-C 3.07Å; N246-G266 VanDerWaalsContact O-C 3.28Å; N246-G266 WeakPolarHBondContact O-CA 3.33Å; Y247-G266 PolarHBondContact O-N 2.96Å; L264-G266 PolarHBondContact O-N 3.38Å; G266-R268 PolarHBondContact O-N 3.01Å; G266-A269 PolarHBondContact O-N 3.26Å; G266-A269 VanDerWaalsContact O-N 3.15Å; G266-H270 PolarHBondContact O-CD2 2.87Å; G266-H270 PolarHBondContact O-N 3.03Å | ||
| 267 | P | 91.3 | Very high | 90.3 | Very high | 76 Ų | 76 | 52 Ų | 52 | 49% | 0.494 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -33.2 | -174.5 | 23.5 | -33.9 | 0 | 0 | 0 | 112.8 | N246 H270 A271 | N246-P267 HydrophobicContact CB-CG 3.95Å; N246-P267 WeakPolarHBondContact O-CD 3.4Å; P267-H270 PolarHBondContact O-N 3.49Å; P267-A271 PolarHBondContact O-N 2.82Å |
| 268 | R | 88.7 | Confident | 90.3 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.2 | -38.4 | 178.7 | -166.6 | 174.5 | -177.4 | -171.1 | -4.3 | 112.3 | E245 N246 Y247 G266 H270 A271 E272 | E245-R268 WeakPolarHBondContact O-CD 3.5Å; E245-R268 IonicContact OE2-CZ 2.69Å; E245-R268 IonicContact OE2-NH1 3.54Å; E245-R268 PolarHBondContact OE2-NH1 3.15Å; N246-R268 HydrophobicContact CB-CB 4.25Å; N246-R268 VanDerWaalsContact O-CB 3.26Å; N246-R268 WeakPolarHBondContact O-CB 3.41Å; N246-R268 PolarHBondContact O-N 2.92Å; Y247-R268 HydrophobicContact CD1-CB 4.37Å; Y247-R268 HydrophobicContact CD1-CG 4.3Å; Y247-R268 HydrophobicContact CE1-CG 4.01Å; Y247-R268 HydrophobicContact CE2-CG 4.34Å; G266-R268 PolarHBondContact O-N 3.01Å; R268-H270 VanDerWaalsContact C-N 3.3Å; R268-H270 PolarHBondContact O-N 2.77Å; R268-A271 PolarHBondContact O-N 3.3Å; R268-A271 VanDerWaalsContact O-N 3.15Å; R268-E272 HydrophobicContact CG-CG 4.25Å; R268-E272 WeakPolarHBondContact CG-OE1 3.04Å; R268-E272 IonicContact CZ-OE1 3.52Å; R268-E272 IonicContact NE-OE1 3.57Å; R268-E272 PolarHBondContact NE-OE1 2.95Å; R268-E272 IonicContact NH2-OE1 2.75Å; R268-E272 PolarHBondContact NH2-OE1 3.26Å; R268-E272 PolarHBondContact O-N 3.01Å |
| 269 | A | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L199 Y247 W265 G266 A271 T273 | L199-A269 HydrophobicContact CD1-CB 4.05Å; L199-A269 HydrophobicContact CD2-CB 3.76Å; Y247-A269 HydrophobicContact CD1-CB 4.08Å; Y247-A269 VanDerWaalsContact O-CB 3.25Å; Y247-A269 WeakPolarHBondContact O-CB 3.17Å; W265-A269 HydrophobicContact CB-CB 4.26Å; W265-A269 HydrophobicContact CD2-CB 4.33Å; W265-A269 HydrophobicContact CE3-CB 4.07Å; W265-A269 HydrophobicContact CG-CB 4.43Å; G266-A269 PolarHBondContact O-N 3.26Å; G266-A269 VanDerWaalsContact O-N 3.15Å; A269-A271 VanDerWaalsContact C-N 3.32Å; A269-A271 PolarHBondContact O-N 3.3Å; A269-T273 CarbonylContact O-C 3.51Å; A269-T273 WeakPolarHBondContact O-CG2 3.48Å; A269-T273 PolarHBondContact O-N 3.05Å; A269-T273 VanDerWaalsContact O-O 3.11Å |
| 270 | H | 88.9 | Confident | 89.8 | Confident | 93 Ų | 93 | 41.7 Ų | 41.7 | 43% | 0.431 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.1 | -31.2 | 174.9 | -75.4 | -65.3 | 0 | 0 | 0 | 113.8 | W265 G266 P267 R268 | W265-H270 WeakPolarHBondContact CB-NE2 3.46Å; W265-H270 AromaticContact CE3-CE1 3.88Å; W265-H270 AromaticContact CE3-ND1 3.93Å; G266-H270 PolarHBondContact O-CD2 2.87Å; G266-H270 PolarHBondContact O-N 3.03Å; P267-H270 PolarHBondContact O-N 3.49Å; R268-H270 VanDerWaalsContact C-N 3.3Å; R268-H270 PolarHBondContact O-N 2.77Å |
| 271 | A | 86 | Confident | 89 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 69% | 0.694 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -76.5 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P267 R268 A269 | P267-A271 PolarHBondContact O-N 2.82Å; R268-A271 PolarHBondContact O-N 3.3Å; R268-A271 VanDerWaalsContact O-N 3.15Å; A269-A271 VanDerWaalsContact C-N 3.32Å; A269-A271 PolarHBondContact O-N 3.3Å |
| 272 | E | 83.8 | Confident | 88.3 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 24% | 0.243 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -92.8 | -28.2 | -171.2 | -64.7 | -168.3 | -156.6 | 0 | 0 | 113.4 | Y247 R268 | Y247-E272 PolarHBondContact OH-OE1 3.25Å; Y247-E272 PolarHBondContact OH-OE2 3.11Å; R268-E272 HydrophobicContact CG-CG 4.25Å; R268-E272 WeakPolarHBondContact CG-OE1 3.04Å; R268-E272 IonicContact CZ-OE1 3.52Å; R268-E272 IonicContact NE-OE1 3.57Å; R268-E272 PolarHBondContact NE-OE1 2.95Å; R268-E272 IonicContact NH2-OE1 2.75Å; R268-E272 PolarHBondContact NH2-OE1 3.26Å; R268-E272 PolarHBondContact O-N 3.01Å |
| 273 | T | 86.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | trans | -132.6 | 168.4 | -178.9 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | M196 L199 W265 A269 V278 | M196-T273 HydrophobicContact SD-CG2 4.18Å; L199-T273 HydrophobicContact CD1-CG2 4.02Å; W265-T273 HydrophobicContact CH2-CG2 4.08Å; W265-T273 HydrophobicContact CZ3-CG2 3.84Å; A269-T273 CarbonylContact O-C 3.51Å; A269-T273 WeakPolarHBondContact O-CG2 3.48Å; A269-T273 PolarHBondContact O-N 3.05Å; A269-T273 VanDerWaalsContact O-O 3.11Å; T273-V278 HydrophobicContact CG2-CG2 4.14Å | ||
| 274 | T | 87.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | trans | -127.3 | 155.2 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 109.3 | M276 K277 V278 | T274-M276 PolarHBondContact O-N 3.36Å; T274-M276 VanDerWaalsContact O-N 3.11Å; T274-K277 WeakPolarHBondContact O-CB 3.27Å; T274-K277 PolarHBondContact O-N 3.5Å; T274-K277 WeakPolarHBondContact OG1-CG 3.13Å; T274-K277 PolarHBondContact OG1-N 2.96Å; T274-K277 VanDerWaalsContact OG1-N 3.16Å; T274-V278 PolarHBondContact O-N 3.43Å | ||
| 275 | K | 89.9 | Confident | 85.1 | Confident | 26 Ų | 26 | 43 Ų | 43 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.4 | -33.4 | 175.6 | -68.2 | 175.1 | -168.6 | 159.2 | 0 | 111.9 | F203 N207 W265 L279 A300 D303 | F203-K275 HydrophobicContact CD2-CB 4.24Å; F203-K275 HydrophobicContact CD2-CD 3.85Å; F203-K275 HydrophobicContact CD2-CG 3.93Å; F203-K275 HydrophobicContact CE1-CB 4.14Å; F203-K275 HydrophobicContact CE2-CB 3.9Å; F203-K275 HydrophobicContact CE2-CD 3.61Å; F203-K275 HydrophobicContact CE2-CG 3.92Å; F203-K275 HydrophobicContact CG-CG 4.43Å; F203-K275 HydrophobicContact CZ-CB 3.82Å; F203-K275 HydrophobicContact CZ-CD 4.34Å; F203-K275 HydrophobicContact CZ-CG 4.36Å; N207-K275 WeakPolarHBondContact OD1-CE 3.32Å; N207-K275 PolarHBondContact OD1-NZ 3.11Å; W265-K275 HydrophobicContact CH2-CG 3.96Å; W265-K275 HydrophobicContact CZ2-CG 4.41Å; W265-K275 HydrophobicContact CZ3-CG 4.18Å; K275-L279 VanDerWaalsContact O-CB 3.27Å; K275-L279 WeakPolarHBondContact O-CB 3.38Å; K275-L279 PolarHBondContact O-N 2.92Å; K275-A300 HydrophobicContact CB-CB 3.94Å; K275-D303 HydrophobicContact CB-CB 4.48Å; K275-D303 HydrophobicContact CD-CB 3.91Å; K275-D303 WeakPolarHBondContact CE-OD1 3.44Å; K275-D303 IonicContact NZ-OD1 2.75Å; K275-D303 PolarHBondContact NZ-OD1 3.48Å |
| 276 | M | 89.2 | Confident | 83.7 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.3 | -40.7 | 174.6 | -174 | 59.6 | 69.8 | 0 | 0 | 113.3 | T274 V278 L279 K280 Y297 A300 L301 Q304 | T274-M276 PolarHBondContact O-N 3.36Å; T274-M276 VanDerWaalsContact O-N 3.11Å; M276-V278 VanDerWaalsContact C-N 3.35Å; M276-L279 PolarHBondContact O-N 3.44Å; M276-K280 HydrophobicContact CG-CD 4.38Å; M276-K280 WeakPolarHBondContact O-CB 3.42Å; M276-K280 VanDerWaalsContact O-CG 3.28Å; M276-K280 WeakPolarHBondContact O-CG 3.27Å; M276-K280 PolarHBondContact O-N 2.87Å; M276-Y297 HydrophobicContact CE-CD2 3.77Å; M276-Y297 HydrophobicContact CE-CE2 3.54Å; M276-Y297 HydrophobicContact SD-CD2 4.13Å; M276-Y297 HydrophobicContact SD-CE2 3.88Å; M276-A300 HydrophobicContact CB-CB 4.1Å; M276-A300 HydrophobicContact CE-CB 3.73Å; M276-A300 HydrophobicContact SD-CB 4.39Å; M276-L301 HydrophobicContact CE-CD2 3.76Å; M276-L301 HydrophobicContact CE-CG 3.91Å; M276-Q304 VanDerWaalsContact CG-NE2 3.31Å |
| 277 | K | 85.3 | Confident | 82.5 | Confident | 107 Ų | 107 | 50.8 Ų | 50.8 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174.3 | -74.9 | 176 | -179.8 | 179.5 | 0 | 110.6 | T274 K280 V281 | T274-K277 WeakPolarHBondContact O-CB 3.27Å; T274-K277 PolarHBondContact O-N 3.5Å; T274-K277 WeakPolarHBondContact OG1-CG 3.13Å; T274-K277 PolarHBondContact OG1-N 2.96Å; T274-K277 VanDerWaalsContact OG1-N 3.16Å; K277-K280 PolarHBondContact O-N 2.88Å; K277-V281 WeakPolarHBondContact O-CG2 3.45Å; K277-V281 PolarHBondContact O-N 3.12Å; K277-V281 VanDerWaalsContact O-N 3.12Å |
| 278 | V | 85.8 | Confident | 82 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | M196 L199 W265 T273 T274 M276 K280 V281 L282 | M196-V278 HydrophobicContact CE-CG2 3.66Å; M196-V278 HydrophobicContact SD-CG2 4Å; L199-V278 HydrophobicContact CB-CG2 4.4Å; W265-V278 HydrophobicContact CH2-CB 4.08Å; W265-V278 HydrophobicContact CH2-CG2 3.47Å; W265-V278 VanDerWaalsContact CH2-CG2 3.47Å; W265-V278 HydrophobicContact CZ2-CB 4.14Å; W265-V278 HydrophobicContact CZ2-CG1 4.26Å; W265-V278 HydrophobicContact CZ2-CG2 3.71Å; T273-V278 HydrophobicContact CG2-CG2 4.14Å; T274-V278 PolarHBondContact O-N 3.43Å; M276-V278 VanDerWaalsContact C-N 3.35Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.22Å; V278-V281 PolarHBondContact O-N 3.41Å; V278-L282 PolarHBondContact O-N 3.31Å |
| 279 | L | 85.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.9 | -173.4 | 60.4 | 0 | 0 | 0 | 112.7 | F203 K275 M276 L282 A283 P290 F293 L296 Y297 A300 | F203-L279 HydrophobicContact CE1-CB 4.18Å; F203-L279 HydrophobicContact CE1-CD1 4.42Å; K275-L279 VanDerWaalsContact O-CB 3.27Å; K275-L279 WeakPolarHBondContact O-CB 3.38Å; K275-L279 PolarHBondContact O-N 2.92Å; M276-L279 PolarHBondContact O-N 3.44Å; L279-L282 HydrophobicContact CD1-CD2 4.4Å; L279-L282 PolarHBondContact O-N 2.92Å; L279-A283 VanDerWaalsContact O-CB 3.32Å; L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 3.22Å; L279-P290 HydrophobicContact CD2-CB 4.01Å; L279-P290 HydrophobicContact CG-CB 4Å; L279-F293 HydrophobicContact CD1-CB 4.11Å; L279-F293 HydrophobicContact CD1-CD2 3.94Å; L279-F293 HydrophobicContact CD1-CG 4.19Å; L279-L296 HydrophobicContact CD1-CB 3.89Å; L279-L296 HydrophobicContact CD1-CD1 4.18Å; L279-L296 HydrophobicContact CD2-CB 4.2Å; L279-Y297 HydrophobicContact CD2-CD2 4.01Å; L279-A300 HydrophobicContact CD2-CB 4.28Å |
| 280 | K | 82.9 | Confident | 81.4 | Confident | 122 Ų | 122 | 51.6 Ų | 51.6 | 53% | 0.53 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 174.4 | -76.8 | 172.5 | 178.4 | -177.3 | 0 | 112.1 | M276 K277 V278 K284 P290 | M276-K280 HydrophobicContact CG-CD 4.38Å; M276-K280 WeakPolarHBondContact O-CB 3.42Å; M276-K280 VanDerWaalsContact O-CG 3.28Å; M276-K280 WeakPolarHBondContact O-CG 3.27Å; M276-K280 PolarHBondContact O-N 2.87Å; K277-K280 PolarHBondContact O-N 2.88Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.22Å; K280-K284 WeakPolarHBondContact O-CB 3.4Å; K280-K284 PolarHBondContact O-N 3.47Å; K280-P290 HydrophobicContact CB-CG 4.44Å; K280-P290 HydrophobicContact CG-CG 3.72Å |
| 281 | V | 76.2 | Confident | 81.2 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | L175 M196 K277 V278 A283 K284 V285 | L175-V281 HydrophobicContact CD2-CG2 4.38Å; M196-V281 HydrophobicContact CE-CG2 4.14Å; K277-V281 WeakPolarHBondContact O-CG2 3.45Å; K277-V281 PolarHBondContact O-N 3.12Å; K277-V281 VanDerWaalsContact O-N 3.12Å; V278-V281 PolarHBondContact O-N 3.41Å; V281-A283 PolarHBondContact O-N 3.15Å; V281-K284 PolarHBondContact O-N 3Å; V281-V285 WeakPolarHBondContact O-CG2 3.2Å; V281-V285 PolarHBondContact O-N 3.11Å |
| 282 | L | 77.4 | Confident | 81.1 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 178.9 | -176.9 | 69.2 | 0 | 0 | 0 | 112.3 | M204 V278 L279 K284 V285 N286 | M204-L282 HydrophobicContact CE-CD1 4.26Å; M204-L282 HydrophobicContact CE-CD2 4.26Å; M204-L282 HydrophobicContact CG-CD2 3.92Å; M204-L282 HydrophobicContact SD-CD1 4.31Å; M204-L282 HydrophobicContact SD-CD2 3.45Å; M204-L282 WeakPolarHBondContact SD-CD2 3.41Å; V278-L282 PolarHBondContact O-N 3.31Å; L279-L282 HydrophobicContact CD1-CD2 4.4Å; L279-L282 PolarHBondContact O-N 2.92Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.4Å; L282-V285 PolarHBondContact O-N 3.32Å; L282-N286 PolarHBondContact O-N 3Å; L282-N286 PolarHBondContact O-ND2 3.32Å |
| 283 | A | 81 | Confident | 81 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L279 V281 V285 N286 G287 T288 P290 F293 | L279-A283 VanDerWaalsContact O-CB 3.32Å; L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 3.22Å; V281-A283 PolarHBondContact O-N 3.15Å; A283-V285 PolarHBondContact O-N 3.23Å; A283-N286 CarbonylContact O-C 3.43Å; A283-N286 PolarHBondContact O-N 2.93Å; A283-N286 VanDerWaalsContact O-N 3.14Å; A283-G287 PolarHBondContact O-N 3.42Å; A283-G287 VanDerWaalsContact O-N 3.13Å; A283-T288 CarbonylContact C-O 3.57Å; A283-T288 VanDerWaalsContact C-O 3.26Å; A283-T288 HydrophobicContact CB-CG2 4.32Å; A283-T288 WeakPolarHBondContact CB-O 3.28Å; A283-T288 CarbonylContact O-C 3.07Å; A283-T288 WeakPolarHBondContact O-CG2 3.45Å; A283-T288 PolarHBondContact O-N 3.42Å; A283-T288 VanDerWaalsContact O-O 3.06Å; A283-P290 HydrophobicContact CB-CG 4.06Å; A283-F293 HydrophobicContact CB-CE2 4.12Å |
| 284 | K | 73.4 | Confident | 81 | Confident | 113 Ų | 113 | 52.9 Ų | 52.9 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.1 | -171.2 | 171.6 | -174.5 | 176.3 | 0 | 112.2 | E158 K174 K280 V281 L282 N286 G287 | E158-K284 IonicContact OE1-NZ 2.71Å; K174-K284 VanDerWaalsContact CE-CE 3.44Å; K174-K284 VanDerWaalsContact NZ-NZ 3.2Å; K280-K284 WeakPolarHBondContact O-CB 3.4Å; K280-K284 PolarHBondContact O-N 3.47Å; V281-K284 PolarHBondContact O-N 3Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.4Å; K284-N286 PolarHBondContact O-N 3.16Å; K284-G287 PolarHBondContact O-N 2.85Å |
| 285 | V | 67.1 | Low | 80.8 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -34.8 | 176.8 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | E152 L153 V281 L282 A283 G287 | E152-V285 HydrophobicContact CB-CG2 4.4Å; L153-V285 HydrophobicContact CB-CG1 4.01Å; L153-V285 HydrophobicContact CB-CG2 4.13Å; L153-V285 HydrophobicContact CD1-CG1 4.14Å; L153-V285 HydrophobicContact CD1-CG2 4.1Å; L153-V285 HydrophobicContact CD2-CG1 4.35Å; L153-V285 HydrophobicContact CG-CG1 4.39Å; V281-V285 WeakPolarHBondContact O-CG2 3.2Å; V281-V285 PolarHBondContact O-N 3.11Å; L282-V285 PolarHBondContact O-N 3.32Å; A283-V285 PolarHBondContact O-N 3.23Å; V285-G287 VanDerWaalsContact C-N 3.31Å |
| 286 | N | 66.8 | Low | 80.6 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 5.6 | 178.5 | -71.6 | -71.2 | 0 | 0 | 0 | 113.5 | L282 A283 K284 T288 | L282-N286 PolarHBondContact O-N 3Å; L282-N286 PolarHBondContact O-ND2 3.32Å; A283-N286 CarbonylContact O-C 3.43Å; A283-N286 PolarHBondContact O-N 2.93Å; A283-N286 VanDerWaalsContact O-N 3.14Å; K284-N286 PolarHBondContact O-N 3.16Å; N286-T288 HydrophobicContact CB-CG2 3.54Å; N286-T288 PolarHBondContact O-N 3.06Å |
| 287 | G | 69.4 | Low | 80.5 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 78% | 0.784 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 29.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A283 K284 V285 | A283-G287 PolarHBondContact O-N 3.42Å; A283-G287 VanDerWaalsContact O-N 3.13Å; K284-G287 PolarHBondContact O-N 2.85Å; V285-G287 VanDerWaalsContact C-N 3.31Å |
| 288 | T | 80.5 | Confident | 80.5 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 32% | 0.319 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -132.9 | 178.9 | -173 | 177.9 | 0 | 0 | 0 | 0 | 111 | A283 N286 A292 F293 | A283-T288 CarbonylContact C-O 3.57Å; A283-T288 VanDerWaalsContact C-O 3.26Å; A283-T288 HydrophobicContact CB-CG2 4.32Å; A283-T288 WeakPolarHBondContact CB-O 3.28Å; A283-T288 CarbonylContact O-C 3.07Å; A283-T288 WeakPolarHBondContact O-CG2 3.45Å; A283-T288 PolarHBondContact O-N 3.42Å; A283-T288 VanDerWaalsContact O-O 3.06Å; N286-T288 HydrophobicContact CB-CG2 3.54Å; N286-T288 PolarHBondContact O-N 3.06Å; T288-A292 WeakPolarHBondContact OG1-CB 3.26Å; T288-F293 HydrophobicContact CG2-CE2 3.85Å; T288-F293 HydrophobicContact CG2-CZ 4.11Å |
| 289 | V | 82.3 | Confident | 80.5 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | trans | -102 | 150.1 | 178.8 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | S291 A292 | V289-S291 WeakPolarHBondContact CG2-OG 3.07Å; V289-S291 PolarHBondContact O-N 3.11Å; V289-S291 VanDerWaalsContact O-N 3.11Å; V289-A292 HydrophobicContact CG2-CB 4.26Å; V289-A292 WeakPolarHBondContact O-CB 3.3Å; V289-A292 PolarHBondContact O-N 2.82Å | ||
| 290 | P | 83.8 | Confident | 80.6 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -53 | -34.2 | 178.4 | -30 | 37 | 0 | 0 | 0 | 114.2 | L279 K280 A283 A292 F293 Y297 | L279-P290 HydrophobicContact CD2-CB 4.01Å; L279-P290 HydrophobicContact CG-CB 4Å; K280-P290 HydrophobicContact CB-CG 4.44Å; K280-P290 HydrophobicContact CG-CG 3.72Å; A283-P290 HydrophobicContact CB-CG 4.06Å; P290-A292 PolarHBondContact O-N 3.45Å; P290-F293 PolarHBondContact O-N 3.21Å; P290-F293 VanDerWaalsContact O-N 3.11Å; P290-Y297 HydrophobicContact CB-CD2 3.73Å; P290-Y297 HydrophobicContact CB-CE2 3.98Å |
| 291 | S | 84.6 | Confident | 80.8 | Confident | 67 Ų | 67 | 61.2 Ų | 61.2 | 47% | 0.469 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -67.3 | -16.1 | 178.2 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | V289 F293 | V289-S291 WeakPolarHBondContact CG2-OG 3.07Å; V289-S291 PolarHBondContact O-N 3.11Å; V289-S291 VanDerWaalsContact O-N 3.11Å; S291-F293 PolarHBondContact O-N 3.11Å |
| 292 | A | 84.9 | Confident | 81.2 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 44% | 0.438 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -70.1 | -5.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | T288 V289 P290 P294 | T288-A292 WeakPolarHBondContact OG1-CB 3.26Å; V289-A292 HydrophobicContact CG2-CB 4.26Å; V289-A292 WeakPolarHBondContact O-CB 3.3Å; V289-A292 PolarHBondContact O-N 2.82Å; P290-A292 PolarHBondContact O-N 3.45Å; A292-P294 WeakPolarHBondContact O-CD 3.21Å |
| 293 | F | 81.9 | Confident | 81.4 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -115.7 | 74.5 | 169.8 | -54.7 | -84.8 | 0 | 0 | 0 | 110 | L279 A283 T288 P290 S291 N295 L296 Y297 | L279-F293 HydrophobicContact CD1-CB 4.11Å; L279-F293 HydrophobicContact CD1-CD2 3.94Å; L279-F293 HydrophobicContact CD1-CG 4.19Å; A283-F293 HydrophobicContact CB-CE2 4.12Å; T288-F293 HydrophobicContact CG2-CE2 3.85Å; T288-F293 HydrophobicContact CG2-CZ 4.11Å; P290-F293 PolarHBondContact O-N 3.21Å; P290-F293 VanDerWaalsContact O-N 3.11Å; S291-F293 PolarHBondContact O-N 3.11Å; F293-N295 VanDerWaalsContact C-N 3.33Å; F293-N295 PolarHBondContact O-N 3.28Å; F293-L296 HydrophobicContact CB-CB 4.02Å; F293-L296 HydrophobicContact CB-CD1 4.09Å; F293-L296 HydrophobicContact CB-CG 4.34Å; F293-L296 HydrophobicContact CD1-CD1 4.39Å; F293-L296 HydrophobicContact CG-CD1 4.42Å; F293-L296 PolarHBondContact O-N 2.93Å; F293-L296 VanDerWaalsContact O-N 3.11Å; F293-Y297 WeakPolarHBondContact O-CB 3.35Å; F293-Y297 PolarHBondContact O-N 2.76Å |
| 294 | P | 84.4 | Confident | 81.2 | Confident | 86 Ų | 86 | 73 Ų | 73 | 56% | 0.558 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -55.4 | -43.3 | -166.4 | -26.8 | 34.5 | 0 | 0 | 0 | 114 | A292 Y297 Q298 | A292-P294 WeakPolarHBondContact O-CD 3.21Å; P294-Y297 PolarHBondContact O-N 3.47Å; P294-Q298 WeakPolarHBondContact O-CB 3.3Å; P294-Q298 VanDerWaalsContact O-CG 3.3Å; P294-Q298 WeakPolarHBondContact O-CG 3.3Å; P294-Q298 PolarHBondContact O-N 3.29Å |
| 295 | N | 85.1 | Confident | 80.7 | Confident | 133 Ų | 133 | 71 Ų | 71 | 71% | 0.711 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 180 | -66.5 | -22.8 | 0 | 0 | 0 | 112 | F293 L299 | F293-N295 VanDerWaalsContact C-N 3.33Å; F293-N295 PolarHBondContact O-N 3.28Å; N295-L299 VanDerWaalsContact O-CG 3.3Å; N295-L299 WeakPolarHBondContact O-CG 3.44Å; N295-L299 PolarHBondContact O-N 3.17Å; N295-L299 VanDerWaalsContact O-N 3.08Å |
| 296 | L | 85.4 | Confident | 80.2 | Confident | 23 Ų | 23 | 73 Ų | 73 | 12% | 0.12 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 178.6 | -60 | 177.8 | 0 | 0 | 0 | 111.1 | F203 M204 L279 F293 L299 A300 | F203-L296 HydrophobicContact CD1-CD2 4.47Å; F203-L296 HydrophobicContact CE1-CB 3.85Å; F203-L296 HydrophobicContact CE1-CD2 4.21Å; F203-L296 HydrophobicContact CE1-CG 4.46Å; F203-L296 HydrophobicContact CE2-CD2 4.37Å; F203-L296 HydrophobicContact CZ-CB 3.99Å; F203-L296 HydrophobicContact CZ-CD2 4.16Å; F203-L296 VanDerWaalsContact CZ-O 3.3Å; F203-L296 WeakPolarHBondContact CZ-O 3.04Å; M204-L296 HydrophobicContact CB-CD1 4.41Å; M204-L296 HydrophobicContact CG-CD1 3.69Å; L279-L296 HydrophobicContact CD1-CB 3.89Å; L279-L296 HydrophobicContact CD1-CD1 4.18Å; L279-L296 HydrophobicContact CD2-CB 4.2Å; F293-L296 HydrophobicContact CB-CB 4.02Å; F293-L296 HydrophobicContact CB-CD1 4.09Å; F293-L296 HydrophobicContact CB-CG 4.34Å; F293-L296 HydrophobicContact CD1-CD1 4.39Å; F293-L296 HydrophobicContact CG-CD1 4.42Å; F293-L296 PolarHBondContact O-N 2.93Å; F293-L296 VanDerWaalsContact O-N 3.11Å; L296-L299 PolarHBondContact O-N 3.11Å; L296-A300 VanDerWaalsContact O-CB 3.26Å; L296-A300 WeakPolarHBondContact O-CB 3.22Å; L296-A300 PolarHBondContact O-N 3.33Å |
| 297 | Y | 86.6 | Confident | 79.5 | Confident | 82 Ų | 82 | 71 Ų | 71 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 177.1 | -170.3 | -106.7 | 0 | 0 | 0 | 111.7 | M276 L279 P290 F293 P294 L299 A300 L301 | M276-Y297 HydrophobicContact CE-CD2 3.77Å; M276-Y297 HydrophobicContact CE-CE2 3.54Å; M276-Y297 HydrophobicContact SD-CD2 4.13Å; M276-Y297 HydrophobicContact SD-CE2 3.88Å; L279-Y297 HydrophobicContact CD2-CD2 4.01Å; P290-Y297 HydrophobicContact CB-CD2 3.73Å; P290-Y297 HydrophobicContact CB-CE2 3.98Å; F293-Y297 WeakPolarHBondContact O-CB 3.35Å; F293-Y297 PolarHBondContact O-N 2.76Å; P294-Y297 PolarHBondContact O-N 3.47Å; Y297-L299 PolarHBondContact O-N 3.08Å; Y297-A300 PolarHBondContact O-N 3.49Å; Y297-L301 HydrophobicContact CD1-CD1 3.84Å; Y297-L301 HydrophobicContact CD1-CG 4.42Å; Y297-L301 HydrophobicContact CE1-CD1 3.51Å; Y297-L301 HydrophobicContact CE1-CG 4.17Å; Y297-L301 WeakPolarHBondContact O-CG 3.47Å; Y297-L301 PolarHBondContact O-N 3.4Å |
| 298 | Q | 86.1 | Confident | 78 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 173.7 | -77.2 | -83.3 | -11.7 | 0 | 0 | 112.1 | P294 A300 L301 R302 | P294-Q298 WeakPolarHBondContact O-CB 3.3Å; P294-Q298 VanDerWaalsContact O-CG 3.3Å; P294-Q298 WeakPolarHBondContact O-CG 3.3Å; P294-Q298 PolarHBondContact O-N 3.29Å; Q298-A300 VanDerWaalsContact C-N 3.35Å; Q298-A300 PolarHBondContact O-N 3Å; Q298-L301 PolarHBondContact O-N 3.05Å; Q298-R302 WeakPolarHBondContact O-CG 3.44Å; Q298-R302 PolarHBondContact O-N 3.28Å |
| 299 | L | 85.8 | Confident | 75.9 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.3 | -71.6 | 171.6 | 0 | 0 | 0 | 112.1 | F203 N295 L296 Y297 L301 R302 D303 | F203-L299 HydrophobicContact CE2-CB 4Å; F203-L299 HydrophobicContact CZ-CB 4.16Å; N295-L299 VanDerWaalsContact O-CG 3.3Å; N295-L299 WeakPolarHBondContact O-CG 3.44Å; N295-L299 PolarHBondContact O-N 3.17Å; N295-L299 VanDerWaalsContact O-N 3.08Å; L296-L299 PolarHBondContact O-N 3.11Å; Y297-L299 PolarHBondContact O-N 3.08Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 3.48Å; L299-R302 PolarHBondContact O-N 2.94Å; L299-D303 WeakPolarHBondContact O-CB 3.48Å; L299-D303 PolarHBondContact O-N 2.89Å; L299-D303 VanDerWaalsContact O-N 3.1Å |
| 300 | A | 87.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.3 | -27.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F203 K275 M276 L279 L296 Y297 Q298 Q304 | F203-A300 HydrophobicContact CE1-CB 4.42Å; F203-A300 HydrophobicContact CZ-CB 3.99Å; K275-A300 HydrophobicContact CB-CB 3.94Å; M276-A300 HydrophobicContact CB-CB 4.1Å; M276-A300 HydrophobicContact CE-CB 3.73Å; M276-A300 HydrophobicContact SD-CB 4.39Å; L279-A300 HydrophobicContact CD2-CB 4.28Å; L296-A300 VanDerWaalsContact O-CB 3.26Å; L296-A300 WeakPolarHBondContact O-CB 3.22Å; L296-A300 PolarHBondContact O-N 3.33Å; Y297-A300 PolarHBondContact O-N 3.49Å; Q298-A300 VanDerWaalsContact C-N 3.35Å; Q298-A300 PolarHBondContact O-N 3Å; A300-Q304 PolarHBondContact O-N 3.39Å; A300-Q304 PolarHBondContact O-NE2 3.1Å |
| 301 | L | 87.8 | Confident | 71.5 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 37% | 0.366 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.2 | -43.6 | 172.3 | -74.7 | 175.3 | 0 | 0 | 0 | 111.8 | M276 Y297 Q298 L299 D303 Q304 A305 | M276-L301 HydrophobicContact CE-CD2 3.76Å; M276-L301 HydrophobicContact CE-CG 3.91Å; Y297-L301 HydrophobicContact CD1-CD1 3.84Å; Y297-L301 HydrophobicContact CD1-CG 4.42Å; Y297-L301 HydrophobicContact CE1-CD1 3.51Å; Y297-L301 HydrophobicContact CE1-CG 4.17Å; Y297-L301 WeakPolarHBondContact O-CG 3.47Å; Y297-L301 PolarHBondContact O-N 3.4Å; Q298-L301 PolarHBondContact O-N 3.05Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 3.48Å; L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 3.33Å; L301-Q304 PolarHBondContact O-N 2.91Å; L301-A305 WeakPolarHBondContact O-CB 3.35Å; L301-A305 PolarHBondContact O-N 3.2Å |
| 302 | R | 83.7 | Confident | 69.3 | Low | 174 Ų | 174 | 93.8 Ų | 93.8 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 176.5 | -70.9 | 178.9 | -174.5 | -167.3 | 1 | 112 | Q298 L299 Q304 A305 G306 | Q298-R302 WeakPolarHBondContact O-CG 3.44Å; Q298-R302 PolarHBondContact O-N 3.28Å; L299-R302 PolarHBondContact O-N 2.94Å; R302-Q304 VanDerWaalsContact C-N 3.34Å; R302-Q304 PolarHBondContact O-N 3.41Å; R302-A305 PolarHBondContact O-N 3.22Å; R302-G306 PolarHBondContact O-N 3.45Å |
| 303 | D | 80.8 | Confident | 66.9 | Low | 49 Ų | 49 | 97.9 Ų | 97.9 | 26% | 0.262 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.3 | -161.7 | 73.5 | 0 | 0 | 0 | 112.3 | K275 L299 L301 G307 | K275-D303 HydrophobicContact CB-CB 4.48Å; K275-D303 HydrophobicContact CD-CB 3.91Å; K275-D303 WeakPolarHBondContact CE-OD1 3.44Å; K275-D303 IonicContact NZ-OD1 2.75Å; K275-D303 PolarHBondContact NZ-OD1 3.48Å; L299-D303 WeakPolarHBondContact O-CB 3.48Å; L299-D303 PolarHBondContact O-N 2.89Å; L299-D303 VanDerWaalsContact O-N 3.1Å; L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 3.33Å; D303-G307 PolarHBondContact O-N 3.49Å |
| 304 | Q | 77.6 | Confident | 64.7 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.4 | -39.5 | 174.5 | -79.7 | 174.4 | 94.7 | 0 | 0 | 113 | M276 A300 L301 R302 G307 | M276-Q304 VanDerWaalsContact CG-NE2 3.31Å; A300-Q304 PolarHBondContact O-N 3.39Å; A300-Q304 PolarHBondContact O-NE2 3.1Å; L301-Q304 PolarHBondContact O-N 2.91Å; R302-Q304 VanDerWaalsContact C-N 3.34Å; R302-Q304 PolarHBondContact O-N 3.41Å; Q304-G307 PolarHBondContact O-N 3.29Å |
| 305 | A | 63.5 | Low | 62.4 | Low | 71 Ų | 71 | 101.7 Ų | 101.7 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70 | -32 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L301 R302 G307 | L301-A305 WeakPolarHBondContact O-CB 3.35Å; L301-A305 PolarHBondContact O-N 3.2Å; R302-A305 PolarHBondContact O-N 3.22Å; A305-G307 VanDerWaalsContact C-N 3.28Å |
| 306 | G | 56.2 | Low | 60 | Low | 68 Ų | 68 | 104.9 Ų | 104.9 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -10.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R302 | R302-G306 PolarHBondContact O-N 3.45Š|
| 307 | G | 51.4 | Low | 57.5 | Low | 57 Ų | 57 | 107 Ų | 107 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 2.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D303 Q304 A305 P309 | D303-G307 PolarHBondContact O-N 3.49Å; Q304-G307 PolarHBondContact O-N 3.29Å; A305-G307 VanDerWaalsContact C-N 3.28Å; G307-P309 WeakPolarHBondContact O-CD 3.41Å |
| 308 | V | 37.6 | Very low | 55.2 | Low | 105 Ų | 105 | 109.2 Ų | 109.2 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -65 | 120.9 | 169 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | R310 | V308-R310 PolarHBondContact O-N 3.03Š|
| 309 | P | 37.7 | Very low | 52.9 | Low | 108 Ų | 108 | 113 Ų | 113 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | trans | -57.7 | 120.5 | 173.8 | -13.4 | 25.5 | 0 | 0 | 0 | 106.6 | G307 S311 | G307-P309 WeakPolarHBondContact O-CD 3.41Å; P309-S311 VanDerWaalsContact C-N 3.25Å; P309-S311 PolarHBondContact O-N 3.13Å | ||
| 310 | R | 37.3 | Very low | 50.5 | Low | 248 Ų | 248 | 115 Ų | 115 | 94% | 0.936 | 65% | 0.649 | S | S | * | * | trans | -55.4 | 102.6 | 162.6 | -98.6 | 178.7 | 161.5 | 153.1 | -5.1 | 105.6 | V308 R312 | V308-R310 PolarHBondContact O-N 3.03Å; R310-R312 PolarHBondContact O-N 2.78Å; R310-R312 VanDerWaalsContact O-N 3.13Å | ||
| 311 | S | 35.3 | Very low | 48 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | trans | -46 | 122.9 | 171.1 | 16.5 | 0 | 0 | 0 | 0 | 107.1 | P309 V313 | P309-S311 VanDerWaalsContact C-N 3.25Å; P309-S311 PolarHBondContact O-N 3.13Å; S311-V313 VanDerWaalsContact C-N 3.35Å; S311-V313 PolarHBondContact O-N 2.81Å | ||
| 312 | R | 39.1 | Very low | 45.4 | Very low | 220 Ų | 220 | 125.7 Ų | 125.7 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | trans | -45.5 | 101.6 | 170.6 | -175.1 | 176.8 | -174.2 | 165.1 | 0.3 | 107.2 | R310 Q314 | R310-R312 PolarHBondContact O-N 2.78Å; R310-R312 VanDerWaalsContact O-N 3.13Å; R312-Q314 PolarHBondContact O-N 2.95Å | ||
| 313 | V | 35 | Very low | 43.2 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | trans | -66.2 | 95 | 166 | 176.8 | 0 | 0 | 0 | 0 | 104.2 | S311 G315 | S311-V313 VanDerWaalsContact C-N 3.35Å; S311-V313 PolarHBondContact O-N 2.81Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 2.83Å | ||
| 314 | Q | 35.4 | Very low | 41.1 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | -65.6 | 100.5 | 172 | -151.8 | 147.8 | 40.4 | 0 | 0 | 105.1 | R312 K316 | R312-Q314 PolarHBondContact O-N 2.95Å; Q314-K316 PolarHBondContact O-N 2.94Å | ||
| 315 | G | 34.8 | Very low | 39.3 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | trans | -53.7 | 111.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | V313 G317 | V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 2.83Å; G315-G317 VanDerWaalsContact C-N 3.31Å; G315-G317 PolarHBondContact O-N 2.99Å | ||
| 316 | K | 35.4 | Very low | 38.1 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -61.1 | 99.2 | 163.3 | -87.6 | -178.7 | 170 | 179.9 | 0 | 106.7 | Q314 V318 | Q314-K316 PolarHBondContact O-N 2.94Å; K316-V318 PolarHBondContact O-N 3.19Å; K316-V318 VanDerWaalsContact O-N 3.14Å | ||
| 317 | G | 33.1 | Very low | 37.2 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -62.6 | 109.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G315 H319 | G315-G317 VanDerWaalsContact C-N 3.31Å; G315-G317 PolarHBondContact O-N 2.99Å; G317-H319 PolarHBondContact O-N 3.39Å | ||
| 318 | V | 37.6 | Very low | 36.6 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -71.5 | 101.1 | 165.9 | 176.1 | 0 | 0 | 0 | 0 | 106.4 | K316 S320 | K316-V318 PolarHBondContact O-N 3.19Å; K316-V318 VanDerWaalsContact O-N 3.14Å; V318-S320 PolarHBondContact O-N 3.14Å | ||
| 319 | H | 38.1 | Very low | 36.6 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -85.5 | 97.3 | 165.8 | -99.1 | -62.1 | 0 | 0 | 0 | 109.1 | G317 K321 | G317-H319 PolarHBondContact O-N 3.39Å; H319-K321 PolarHBondContact O-N 3.43Å | ||
| 320 | S | 35.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -68.7 | 115.4 | 161.4 | -48.8 | 0 | 0 | 0 | 0 | 108.5 | V318 | V318-S320 PolarHBondContact O-N 3.14Š| ||
| 321 | K | 34.2 | Very low | 36.7 | Very low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -103.6 | 110.4 | 172.4 | -152.2 | 175.1 | -173.6 | 179.9 | 0 | 108.3 | H319 | H319-K321 PolarHBondContact O-N 3.43Š| ||
| 322 | A | 34.5 | Very low | 36.8 | Very low | 87 Ų | 87 | 147.2 Ų | 147.2 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | trans | -70.5 | 151.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 323 | P | 37.4 | Very low | 36.7 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | trans | -84.4 | 131.2 | 178.7 | 32.8 | -29.6 | 0 | 0 | 0 | 110.6 | ||||
| 324 | S | 35.3 | Very low | 36.8 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -93.4 | 112.3 | 168.7 | -159.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 325 | Q | 39.7 | Very low | 36.8 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -62.3 | 138.9 | 162.1 | -73.1 | 174.9 | -56.9 | 0 | 0 | 109.5 | ||||
| 326 | K | 39.1 | Very low | 37 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | trans | -142.2 | 118.2 | 149.3 | -103.1 | -173.8 | 179.8 | -175.1 | 0 | 109 | ||||
| 327 | S | 37.7 | Very low | 37.1 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | trans | -64.8 | 154.4 | 171.2 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 328 | S | 39.6 | Very low | 37.4 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 74% | 0.741 | 86% | 0.857 | S | S | * | * | trans | -39.8 | 148.5 | 168.7 | -48.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 329 | N | 36.1 | Very low | 37.4 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 84% | 0.84 | 86% | 0.864 | S | S | * | * | -170.2 | 138.8 | 117.2 | -101.8 | -7.1 | 0 | 0 | 0 | 113.2 | |||||
| 330 | V | 41.1 | Very low | 37.3 | Very low | 214 Ų | 214 | 148.5 Ų | 148.5 | 100% | 1.297 | 86% | 0.864 | S | S | * | * | trans | 74 | 0 | 169.3 | -161.1 | 0 | 0 | 0 | 0 | 117.6 |
Retrieved 330 of 330 residues in 54.5 ms
(Link to these results)