| 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 | 35.6 | Very low | 34.5 | Very low | 243 Ų | 243 | 147.6 Ų | 147.6 | 100% | 1.197 | 85% | 0.845 | S | S | * | * | 0 | 137.2 | 0 | -75.4 | -163 | -155.8 | 0 | 0 | 108.4 | |||||
| 2 | A | 33.7 | Very low | 34.9 | Very low | 102 Ų | 102 | 151 Ų | 151 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | trans | 40.9 | 117.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3 | G | 28.9 | Very low | 36.1 | Very low | 70 Ų | 70 | 150.8 Ų | 150.8 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | 82 | 130.1 | 59.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 4 | V | 36.8 | Very low | 37 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 75% | 0.745 | 83% | 0.831 | S | S | * | * | 174.1 | 143.2 | 58.2 | 147.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 5 | N | 34.2 | Very low | 38 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | trans | 51.2 | 136.5 | 150.4 | -60.7 | -8 | 0 | 0 | 0 | 120.3 | ||||
| 6 | G | 31.5 | Very low | 38.9 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | 127.4 | 155 | 41.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 7 | D | 34.4 | Very low | 39.8 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 81% | 0.807 | S | S | * | * | cis | -167.4 | 148.6 | 6.5 | -153.1 | 1.4 | 0 | 0 | 0 | 106.9 | ||||
| 8 | R | 36.9 | Very low | 40.4 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | 31.2 | 130.4 | 150.8 | -70.5 | 160.3 | 179.3 | 174.4 | -2.7 | 122.9 | ||||
| 9 | K | 32.7 | Very low | 41.3 | Very low | 215 Ų | 215 | 136.2 Ų | 136.2 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | -164.2 | 127.4 | 110.9 | -137.9 | 169.4 | -178.3 | 173.2 | 0 | 111.9 | |||||
| 10 | G | 39.9 | Very low | 41.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -85.7 | 169.8 | -172 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 11 | K | 34.7 | Very low | 42.7 | Very low | 216 Ų | 216 | 130.3 Ų | 130.3 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | trans | -150.1 | 121.4 | 154.7 | -139.9 | 170.6 | -176.5 | 176.5 | 0 | 110.8 | ||||
| 12 | K | 40 | Very low | 43.7 | Very low | 188 Ų | 188 | 123.8 Ų | 123.8 | 82% | 0.817 | 72% | 0.72 | S | S | * | * | trans | -46.6 | 140.8 | -179.1 | -173 | 176.4 | 175.9 | -178.6 | 0 | 115.9 | ||||
| 13 | D | 50 | Low | 44.8 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | -58 | 139.1 | 170.4 | -59.8 | -61.1 | 0 | 0 | 0 | 113.5 | ||||
| 14 | D | 49.3 | Very low | 46 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -163.6 | 36.9 | 160.7 | -95 | -24.9 | 0 | 0 | 0 | 113.2 | ||||
| 15 | N | 51.6 | Low | 46.9 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | trans | -110.3 | 13.1 | -176.6 | -99.9 | 20.9 | 0 | 0 | 0 | 116.1 | ||||
| 16 | G | 52.8 | Low | 48 | Very low | 56 Ų | 56 | 124.2 Ų | 124.2 | 58% | 0.577 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -98.7 | -19.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T19 | G16-T19 PolarHBondContact O-OG1 3.28Š|
| 17 | I | 54.2 | Low | 48.9 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -94 | -31.7 | -169.1 | -63.9 | 170.1 | 0 | 0 | 0 | 112 | T19 A20 I21 | I17-T19 PolarHBondContact O-N 3.26Å; I17-A20 PolarHBondContact O-N 3.04Å; I17-I21 HydrophobicContact CG2-CD1 3.68Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CG1 3.32Å; I17-I21 PolarHBondContact O-N 2.88Å |
| 18 | G | 50.8 | Low | 49.8 | Very low | 46 Ų | 46 | 120.5 Ų | 120.5 | 47% | 0.474 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.8 | -38 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | I21 D22 | G18-I21 PolarHBondContact O-N 2.81Å; G18-D22 PolarHBondContact O-N 3.03Å; G18-D22 VanDerWaalsContact O-N 3.11Å |
| 19 | T | 57.5 | Low | 50.4 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.6 | -30.2 | -178.9 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | G16 I17 F23 | G16-T19 PolarHBondContact O-OG1 3.28Å; I17-T19 PolarHBondContact O-N 3.26Å; T19-F23 PolarHBondContact O-N 3.29Å |
| 20 | A | 53.3 | Low | 51.1 | Low | 56 Ų | 56 | 113.2 Ų | 113.2 | 46% | 0.463 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.2 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I17 F23 M24 | I17-A20 PolarHBondContact O-N 3.04Å; A20-F23 PolarHBondContact O-N 3.31Å; A20-M24 WeakPolarHBondContact O-CG 3.26Å; A20-M24 PolarHBondContact O-N 2.59Å; A20-M24 VanDerWaalsContact O-N 3.08Å |
| 21 | I | 57.6 | Low | 51.6 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 48% | 0.477 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.6 | -39.6 | 178.5 | -68.4 | 172 | 0 | 0 | 0 | 111.1 | I17 G18 F23 M24 L25 | I17-I21 HydrophobicContact CG2-CD1 3.68Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CG1 3.32Å; I17-I21 PolarHBondContact O-N 2.88Å; G18-I21 PolarHBondContact O-N 2.81Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 2.88Å; I21-M24 PolarHBondContact O-N 2.94Å; I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 PolarHBondContact O-N 3.14Å |
| 22 | D | 56.4 | Low | 52.4 | Low | 107 Ų | 107 | 110.8 Ų | 110.8 | 57% | 0.572 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.7 | -30.5 | 175.7 | -83 | -23.2 | 0 | 0 | 0 | 113.3 | G18 S26 | G18-D22 PolarHBondContact O-N 3.03Å; G18-D22 VanDerWaalsContact O-N 3.11Å; D22-S26 WeakPolarHBondContact O-CB 3.47Å; D22-S26 PolarHBondContact O-N 2.81Å; D22-S26 PolarHBondContact O-OG 3.23Å |
| 23 | F | 57.8 | Low | 53 | Low | 146 Ų | 146 | 104 Ų | 104 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.2 | -38.2 | 174.5 | -159.4 | -97.8 | 0 | 0 | 0 | 112 | T19 A20 I21 N27 | T19-F23 PolarHBondContact O-N 3.29Å; A20-F23 PolarHBondContact O-N 3.31Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 2.88Å; F23-N27 WeakPolarHBondContact CD1-ND2 3.44Å; F23-N27 VanDerWaalsContact CE1-ND2 3.25Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.34Å; F23-N27 PolarHBondContact O-N 2.94Å; F23-N27 PolarHBondContact O-ND2 3.48Å; F23-N27 VanDerWaalsContact O-ND2 3.15Å |
| 24 | M | 53.3 | Low | 53 | Low | 147 Ų | 147 | 102.2 Ų | 102.2 | 72% | 0.724 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.1 | -37.3 | 174.4 | -67.2 | -160.2 | 94.3 | 0 | 0 | 112.6 | A20 I21 A28 | A20-M24 WeakPolarHBondContact O-CG 3.26Å; A20-M24 PolarHBondContact O-N 2.59Å; A20-M24 VanDerWaalsContact O-N 3.08Å; I21-M24 PolarHBondContact O-N 2.94Å; M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.16Å; M24-A28 PolarHBondContact O-N 2.75Å |
| 25 | L | 55.9 | Low | 52.8 | Low | 90 Ų | 90 | 97.5 Ų | 97.5 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.6 | -35.3 | 175.4 | -90.3 | 155.9 | 0 | 0 | 0 | 112.9 | I21 K29 | I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 PolarHBondContact O-N 3.14Å; L25-K29 PolarHBondContact O-N 2.9Å |
| 26 | S | 56.6 | Low | 52.5 | Low | 77 Ų | 77 | 91 Ų | 91 | 54% | 0.538 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | D22 L30 | D22-S26 WeakPolarHBondContact O-CB 3.47Å; D22-S26 PolarHBondContact O-N 2.81Å; D22-S26 PolarHBondContact O-OG 3.23Å; S26-L30 PolarHBondContact O-N 2.71Å; S26-L30 VanDerWaalsContact O-N 3.15Å |
| 27 | N | 51.8 | Low | 52.5 | Low | 78 Ų | 78 | 91.8 Ų | 91.8 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.5 | -35.2 | 173.9 | -72.4 | -36 | 0 | 0 | 0 | 112.4 | F23 L30 V31 | F23-N27 WeakPolarHBondContact CD1-ND2 3.44Å; F23-N27 VanDerWaalsContact CE1-ND2 3.25Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.34Å; F23-N27 PolarHBondContact O-N 2.94Å; F23-N27 PolarHBondContact O-ND2 3.48Å; F23-N27 VanDerWaalsContact O-ND2 3.15Å; N27-L30 PolarHBondContact O-N 2.9Å; N27-V31 WeakPolarHBondContact O-CB 3.18Å; N27-V31 VanDerWaalsContact O-CG2 3.25Å; N27-V31 WeakPolarHBondContact O-CG2 3.43Å; N27-V31 PolarHBondContact O-N 2.94Å |
| 28 | A | 51.9 | Low | 52.4 | Low | 46 Ų | 46 | 88.6 Ų | 88.6 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M24 L32 | M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.16Å; M24-A28 PolarHBondContact O-N 2.75Å; A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.34Å; A28-L32 PolarHBondContact O-N 3.34Å |
| 29 | K | 49.4 | Very low | 52.3 | Low | 161 Ų | 161 | 93.2 Ų | 93.2 | 70% | 0.7 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.2 | -34.7 | 174.5 | -84.1 | 178.4 | 176.3 | 171.7 | 0 | 113 | L25 G33 | L25-K29 PolarHBondContact O-N 2.9Å; K29-G33 PolarHBondContact O-N 3.46Å |
| 30 | L | 48 | Very low | 52.1 | Low | 119 Ų | 119 | 94.3 Ų | 94.3 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.4 | -42.9 | 176.4 | -154.4 | 93.7 | 0 | 0 | 0 | 111.6 | S26 N27 G33 V34 | S26-L30 PolarHBondContact O-N 2.71Å; S26-L30 VanDerWaalsContact O-N 3.15Å; N27-L30 PolarHBondContact O-N 2.9Å; L30-G33 PolarHBondContact O-N 3.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.48Å; L30-V34 VanDerWaalsContact O-N 3.12Å |
| 31 | V | 50.7 | Low | 51.9 | Low | 110 Ų | 110 | 93.1 Ų | 93.1 | 67% | 0.667 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.8 | -34.7 | 179.3 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | N27 G35 | N27-V31 WeakPolarHBondContact O-CB 3.18Å; N27-V31 VanDerWaalsContact O-CG2 3.25Å; N27-V31 WeakPolarHBondContact O-CG2 3.43Å; N27-V31 PolarHBondContact O-N 2.94Å; V31-G35 PolarHBondContact O-N 2.91Å; V31-G35 VanDerWaalsContact O-N 3.15Å |
| 32 | L | 52.3 | Low | 51.6 | Low | 134 Ų | 134 | 94.4 Ų | 94.4 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.6 | -33.5 | 171.3 | -90.6 | 151.9 | 0 | 0 | 0 | 113.3 | A28 G36 | A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.34Å; A28-L32 PolarHBondContact O-N 3.34Å; L32-G36 WeakPolarHBondContact O-CA 3.48Å; L32-G36 PolarHBondContact O-N 3.2Å |
| 33 | G | 50.9 | Low | 51 | Low | 46 Ų | 46 | 92 Ų | 92 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.2 | -41.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K29 L30 | K29-G33 PolarHBondContact O-N 3.46Å; L30-G33 PolarHBondContact O-N 3.23Å |
| 34 | V | 50.9 | Low | 50.7 | Low | 110 Ų | 110 | 89.2 Ų | 89.2 | 67% | 0.667 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -88.6 | -34.4 | -177.6 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | L30 | L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.48Å; L30-V34 VanDerWaalsContact O-N 3.12Å |
| 35 | G | 44.8 | Very low | 50.6 | Low | 37 Ų | 37 | 87.4 Ų | 87.4 | 38% | 0.381 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -77.2 | -34.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | V31 M39 | V31-G35 PolarHBondContact O-N 2.91Å; V31-G35 VanDerWaalsContact O-N 3.15Å; G35-M39 PolarHBondContact O-N 3.48Å |
| 36 | G | 46.1 | Very low | 50.2 | Low | 29 Ų | 29 | 85.4 Ų | 85.4 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.4 | -40.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L32 L40 | L32-G36 WeakPolarHBondContact O-CA 3.48Å; L32-G36 PolarHBondContact O-N 3.2Å; G36-L40 PolarHBondContact O-N 2.83Å; G36-L40 VanDerWaalsContact O-N 3.12Å |
| 37 | A | 52.6 | Low | 49.6 | Very low | 71 Ų | 71 | 86 Ų | 86 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.5 | -36.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | G41 | A37-G41 PolarHBondContact O-N 3.41Å; A37-G41 VanDerWaalsContact O-N 3.08Å |
| 38 | A | 52.1 | Low | 49.4 | Very low | 55 Ų | 55 | 89 Ų | 89 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G41 I42 | A38-G41 PolarHBondContact O-N 2.84Å; A38-I42 VanDerWaalsContact O-CG1 3.29Å; A38-I42 WeakPolarHBondContact O-CG1 3.2Å; A38-I42 PolarHBondContact O-N 3.14Å |
| 39 | M | 48.9 | Very low | 49.5 | Very low | 143 Ų | 143 | 96 Ų | 96 | 70% | 0.704 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.8 | -35.5 | 176.9 | -76 | -144.7 | -75 | 0 | 0 | 113 | G35 I42 A43 | G35-M39 PolarHBondContact O-N 3.48Å; M39-I42 PolarHBondContact O-N 3.26Å; M39-A43 WeakPolarHBondContact O-CB 3.49Å; M39-A43 PolarHBondContact O-N 3.09Å |
| 40 | L | 51.7 | Low | 49.3 | Very low | 125 Ų | 125 | 94.4 Ų | 94.4 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.5 | -36.1 | 174.1 | -119.8 | 127.4 | 0 | 0 | 0 | 112.3 | G36 T44 | G36-L40 PolarHBondContact O-N 2.83Å; G36-L40 VanDerWaalsContact O-N 3.12Å; L40-T44 PolarHBondContact O-N 3.4Å; L40-T44 PolarHBondContact O-OG1 3.3Å |
| 41 | G | 49 | Very low | 49.2 | Very low | 31 Ų | 31 | 96.3 Ų | 96.3 | 32% | 0.32 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.7 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A37 A38 T44 L45 | A37-G41 PolarHBondContact O-N 3.41Å; A37-G41 VanDerWaalsContact O-N 3.08Å; A38-G41 PolarHBondContact O-N 2.84Å; G41-T44 PolarHBondContact O-OG1 3.32Å; G41-L45 PolarHBondContact O-N 3.1Å |
| 42 | I | 53.3 | Low | 49 | Very low | 120 Ų | 120 | 96 Ų | 96 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.2 | -40.8 | 177.4 | -65.7 | 165.5 | 0 | 0 | 0 | 110.9 | A38 M39 L45 A46 | A38-I42 VanDerWaalsContact O-CG1 3.29Å; A38-I42 WeakPolarHBondContact O-CG1 3.2Å; A38-I42 PolarHBondContact O-N 3.14Å; M39-I42 PolarHBondContact O-N 3.26Å; I42-L45 PolarHBondContact O-N 2.99Å; I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.27Å; I42-A46 VanDerWaalsContact O-N 3.07Å |
| 43 | A | 43.4 | Very low | 48.6 | Very low | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.9 | -39.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M39 A46 V47 | M39-A43 WeakPolarHBondContact O-CB 3.49Å; M39-A43 PolarHBondContact O-N 3.09Å; A43-A46 PolarHBondContact O-N 3.09Å; A43-V47 WeakPolarHBondContact O-CG2 3.36Å; A43-V47 PolarHBondContact O-N 2.94Å; A43-V47 VanDerWaalsContact O-N 3.13Å |
| 44 | T | 51 | Low | 48.1 | Very low | 88 Ų | 88 | 103 Ų | 103 | 54% | 0.54 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.6 | -34.9 | 177 | 40.8 | 0 | 0 | 0 | 0 | 113 | L40 G41 K48 | L40-T44 PolarHBondContact O-N 3.4Å; L40-T44 PolarHBondContact O-OG1 3.3Å; G41-T44 PolarHBondContact O-OG1 3.32Å; T44-K48 WeakPolarHBondContact O-CB 3.41Å; T44-K48 PolarHBondContact O-N 2.85Å |
| 45 | L | 50.2 | Low | 47.5 | Very low | 109 Ų | 109 | 104 Ų | 104 | 57% | 0.571 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.6 | -35.3 | 173.1 | -92.7 | 163 | 0 | 0 | 0 | 113 | G41 I42 R49 | G41-L45 PolarHBondContact O-N 3.1Å; I42-L45 PolarHBondContact O-N 2.99Å; L45-R49 WeakPolarHBondContact O-CB 3.37Å; L45-R49 PolarHBondContact O-N 3.49Å |
| 46 | A | 47.7 | Very low | 47.1 | Very low | 49 Ų | 49 | 106.6 Ų | 106.6 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.9 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I42 A43 R49 M50 | I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.27Å; I42-A46 VanDerWaalsContact O-N 3.07Å; A43-A46 PolarHBondContact O-N 3.09Å; A46-R49 PolarHBondContact O-N 3.49Å; A46-M50 PolarHBondContact O-N 2.98Å |
| 47 | V | 45.1 | Very low | 46.3 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.4 | -39.4 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | A43 M50 Y51 | A43-V47 WeakPolarHBondContact O-CG2 3.36Å; A43-V47 PolarHBondContact O-N 2.94Å; A43-V47 VanDerWaalsContact O-N 3.13Å; V47-M50 PolarHBondContact O-N 3.35Å; V47-Y51 PolarHBondContact O-N 3.36Å |
| 48 | K | 46.5 | Very low | 45.6 | Very low | 142 Ų | 142 | 112 Ų | 112 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65 | -41.4 | 175.2 | -168.6 | 173.2 | -178.8 | 176.7 | 0 | 112.4 | T44 M50 Y51 D52 | T44-K48 WeakPolarHBondContact O-CB 3.41Å; T44-K48 PolarHBondContact O-N 2.85Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.97Å; K48-Y51 PolarHBondContact O-N 3.29Å; K48-D52 PolarHBondContact O-N 2.93Å; K48-D52 VanDerWaalsContact O-N 3.08Å |
| 49 | R | 54.6 | Low | 44.4 | Very low | 192 Ų | 192 | 116.5 Ų | 116.5 | 73% | 0.725 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.9 | -25.8 | 175.2 | -86.7 | -170.9 | 174.2 | 154.7 | -0.6 | 114.2 | L45 A46 R53 | L45-R49 WeakPolarHBondContact O-CB 3.37Å; L45-R49 PolarHBondContact O-N 3.49Å; A46-R49 PolarHBondContact O-N 3.49Å; R49-R53 WeakPolarHBondContact O-CB 3.32Å |
| 50 | M | 45.9 | Very low | 43.4 | Very low | 128 Ų | 128 | 115.1 Ų | 115.1 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.2 | -35.2 | 173.8 | -78.8 | -163.7 | -74.5 | 0 | 0 | 112.3 | A46 V47 K48 R53 T54 | A46-M50 PolarHBondContact O-N 2.98Å; V47-M50 PolarHBondContact O-N 3.35Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.97Å; M50-R53 PolarHBondContact O-N 3.31Å; M50-T54 PolarHBondContact O-N 3.44Å; M50-T54 PolarHBondContact O-OG1 3.5Å |
| 51 | Y | 45.1 | Very low | 43.2 | Very low | 159 Ų | 159 | 114.4 Ų | 114.4 | 62% | 0.624 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.9 | -36.5 | 177.4 | -125.1 | -91.3 | 0 | 0 | 0 | 113 | V47 K48 R53 T54 I55 | V47-Y51 PolarHBondContact O-N 3.36Å; K48-Y51 PolarHBondContact O-N 3.29Å; Y51-R53 PolarHBondContact O-N 2.96Å; Y51-T54 PolarHBondContact O-N 3.34Å; Y51-T54 PolarHBondContact O-OG1 2.91Å; Y51-I55 HydrophobicContact CD1-CD1 4.12Å; Y51-I55 HydrophobicContact CE1-CD1 4.34Å |
| 52 | D | 46.5 | Very low | 42.1 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.1 | -20.4 | 175.6 | -74.5 | -23.9 | 0 | 0 | 0 | 112.6 | K48 S56 | K48-D52 PolarHBondContact O-N 2.93Å; K48-D52 VanDerWaalsContact O-N 3.08Å; D52-S56 PolarHBondContact O-OG 2.96Å |
| 53 | R | 45.3 | Very low | 40.8 | Very low | 216 Ų | 216 | 121.4 Ų | 121.4 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -89.9 | -13.7 | -180 | -134.7 | 175.5 | -172.4 | 146.2 | 1.1 | 114.1 | R49 M50 Y51 | R49-R53 WeakPolarHBondContact O-CB 3.32Å; M50-R53 PolarHBondContact O-N 3.31Å; Y51-R53 PolarHBondContact O-N 2.96Å |
| 54 | T | 38.4 | Very low | 40 | Very low | 110 Ų | 110 | 126 Ų | 126 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -97.4 | -7.3 | 178.7 | 49 | 0 | 0 | 0 | 0 | 113.8 | M50 Y51 | M50-T54 PolarHBondContact O-N 3.44Å; M50-T54 PolarHBondContact O-OG1 3.5Å; Y51-T54 PolarHBondContact O-N 3.34Å; Y51-T54 PolarHBondContact O-OG1 2.91Å |
| 55 | I | 39.6 | Very low | 38.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 67% | 0.672 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -106.5 | -6.3 | -179.3 | -64.4 | 172.4 | 0 | 0 | 0 | 113.1 | Y51 | Y51-I55 HydrophobicContact CD1-CD1 4.12Å; Y51-I55 HydrophobicContact CE1-CD1 4.34Å |
| 56 | S | 36 | Very low | 37.6 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | trans | -118.3 | 83 | -171 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | D52 | D52-S56 PolarHBondContact O-OG 2.96Š| ||
| 57 | A | 28.9 | Very low | 36.5 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -166.9 | 154 | 145.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 58 | P | 39.1 | Very low | 35.5 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | cis | -129.3 | 150.6 | -34.8 | 35.8 | -20.7 | 0 | 0 | 0 | 111.6 | ||||
| 59 | T | 26.8 | Very low | 34.6 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 92% | 0.92 | 74% | 0.743 | S | S | * | * | trans | -141.1 | 129.1 | 155.9 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 60 | S | 28.1 | Very low | 33.2 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -125.9 | 164.9 | 159.9 | 55.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 61 | P | 45.8 | Very low | 32.2 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | cis | -126.7 | -178.1 | 12 | 29 | -4.2 | 0 | 0 | 0 | 112.3 | ||||
| 62 | T | 26.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | 174.8 | 144.9 | 83 | -22 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 63 | K | 27.7 | Very low | 30.3 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 65.7 | 114.1 | 151 | -80.2 | 171 | -177.4 | -176.3 | 0 | 120.8 | ||||
| 64 | M | 25.2 | Very low | 29.5 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 87.9 | 123.5 | 90.4 | -157.9 | 165.6 | 170.4 | 0 | 0 | 110.1 | |||||
| 65 | Q | 24.2 | Very low | 29.1 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | -177.6 | 131.3 | 61.1 | -158.2 | 166.1 | 0.8 | 0 | 0 | 113.1 | |||||
| 66 | Q | 26.8 | Very low | 28.3 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 37.3 | 147.5 | 140.1 | -60.1 | -177.6 | -36.4 | 0 | 0 | 127.5 | ||||
| 67 | T | 25.2 | Very low | 28 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 96.8 | 126.9 | 151.7 | 73.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 68 | G | 24.7 | Very low | 27.9 | Very low | 71 Ų | 71 | 154 Ų | 154 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | cis | 171.2 | 126.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 69 | K | 27.3 | Very low | 27.4 | Very low | 222 Ų | 222 | 151.8 Ų | 151.8 | 97% | 0.965 | 81% | 0.809 | S | S | * | * | trans | 154.1 | 128.1 | 143.8 | -86.1 | 178.7 | -179.4 | -177.4 | 0 | 110.8 | ||||
| 70 | R | 25.7 | Very low | 27.3 | Very low | 253 Ų | 253 | 150 Ų | 150 | 96% | 0.955 | 80% | 0.803 | S | S | * | * | trans | -78.7 | 141.4 | -173.3 | -69.1 | 170.3 | 168 | 169.8 | -6 | 112.2 | ||||
| 71 | S | 24.5 | Very low | 27.2 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -164.5 | 110 | 148 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 72 | W | 25.2 | Very low | 26.5 | Very low | 229 Ų | 229 | 149.6 Ų | 149.6 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | 27.2 | 84.9 | 161.8 | -58.8 | 98.8 | 0 | 0 | 0 | 119.7 | ||||
| 73 | E | 25.6 | Very low | 26.9 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -140.5 | 110.7 | 146.5 | -83.2 | -177.1 | 165.1 | 0 | 0 | 106.7 | ||||
| 74 | E | 28.1 | Very low | 27.4 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -86.8 | 153.7 | 171 | -91.9 | -167.9 | 163.5 | 0 | 0 | 111.1 | ||||
| 75 | P | 30.5 | Very low | 28 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | -91.6 | 139.7 | -142.3 | -2.9 | 22 | 0 | 0 | 0 | 113.8 | W77 | P75-W77 PolarHBondContact O-N 3.47Š| ||
| 76 | A | 24 | Very low | 28.7 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -61.4 | 115.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V78 | A76-V78 PolarHBondContact O-N 2.59Š| ||
| 77 | W | 27.8 | Very low | 29.3 | Very low | 248 Ų | 248 | 147.7 Ų | 147.7 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -75.9 | 103.8 | 155.5 | -74.4 | 97 | 0 | 0 | 0 | 108.5 | P75 | P75-W77 PolarHBondContact O-N 3.47Š| ||
| 78 | V | 28.3 | Very low | 29.8 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -68.2 | 121.2 | 162.5 | 171.6 | 0 | 0 | 0 | 0 | 107.8 | A76 | A76-V78 PolarHBondContact O-N 2.59Š| ||
| 79 | G | 27.7 | Very low | 30.6 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 173.9 | 24.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 80 | S | 24.5 | Very low | 31.4 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -153.9 | 106.6 | 163.7 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 81 | S | 26.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | -54.5 | 134.7 | 167.5 | 161.4 | 0 | 0 | 0 | 0 | 110.4 | R83 | S81-R83 PolarHBondContact O-N 3.14Š| ||
| 82 | P | 31.3 | Very low | 32.8 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | trans | -71.1 | 104.5 | 170.8 | 28.2 | -29.3 | 0 | 0 | 0 | 107.5 | V84 | P82-V84 PolarHBondContact O-N 2.96Å; P82-V84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | R | 35 | Very low | 33.7 | Very low | 219 Ų | 219 | 123.7 Ų | 123.7 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | trans | -74.5 | 99.8 | 170.1 | -73 | -176.5 | -179.5 | 173.3 | 1.1 | 107.8 | S81 L85 | S81-R83 PolarHBondContact O-N 3.14Å; R83-L85 PolarHBondContact O-N 3.06Å | ||
| 84 | V | 36.8 | Very low | 34.5 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 76% | 0.764 | 66% | 0.656 | S | S | * | * | trans | -53.5 | 124.9 | 161.2 | -179 | 0 | 0 | 0 | 0 | 107.5 | P82 N86 | P82-V84 PolarHBondContact O-N 2.96Å; P82-V84 VanDerWaalsContact O-N 3.11Å; V84-N86 PolarHBondContact O-N 3.4Å; V84-N86 VanDerWaalsContact O-N 3.08Å | ||
| 85 | L | 38.3 | Very low | 34.9 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 52% | 0.518 | 65% | 0.648 | S | S | . | * | trans | -64 | 108.7 | 179.1 | -84.9 | 154.8 | 0 | 0 | 0 | 109.8 | R83 M89 | R83-L85 PolarHBondContact O-N 3.06Å; L85-M89 HydrophobicContact CD2-CB 3.71Å; L85-M89 HydrophobicContact CD2-CE 3.83Å; L85-M89 HydrophobicContact CD2-CG 3.63Å | ||
| 86 | N | 38.7 | Very low | 35.3 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | trans | -66.1 | 151.6 | 173.3 | -101.6 | -26.9 | 0 | 0 | 0 | 111.3 | V84 D88 M89 K90 | V84-N86 PolarHBondContact O-N 3.4Å; V84-N86 VanDerWaalsContact O-N 3.08Å; N86-D88 PolarHBondContact O-N 3.38Å; N86-D88 VanDerWaalsContact O-N 3.08Å; N86-M89 WeakPolarHBondContact O-CA 3.22Å; N86-M89 VanDerWaalsContact O-CB 3.29Å; N86-M89 WeakPolarHBondContact O-CB 3.4Å; N86-M89 PolarHBondContact O-N 3.41Å; N86-K90 PolarHBondContact O-N 3.32Å | ||
| 87 | H | 39 | Very low | 36.1 | Very low | 149 Ų | 149 | 114.5 Ų | 114.5 | 69% | 0.69 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -52 | -31.9 | -178.4 | -173.1 | -79.3 | 0 | 0 | 0 | 113.7 | M89 K90 S91 | H87-M89 VanDerWaalsContact C-N 3.33Å; H87-M89 PolarHBondContact O-N 3.21Å; H87-K90 WeakPolarHBondContact O-CB 3.47Å; H87-K90 PolarHBondContact O-N 3.25Å; H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 VanDerWaalsContact O-N 3.17Å |
| 88 | D | 36.2 | Very low | 37 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.6 | -30.6 | 176.2 | -71.7 | -20.2 | 0 | 0 | 0 | 113.1 | N86 S91 T92 | N86-D88 PolarHBondContact O-N 3.38Å; N86-D88 VanDerWaalsContact O-N 3.08Å; D88-S91 PolarHBondContact O-N 3.36Å; D88-S91 PolarHBondContact O-OG 3.47Å; D88-T92 PolarHBondContact O-N 2.81Å; D88-T92 PolarHBondContact O-OG1 3.41Å |
| 89 | M | 41.6 | Very low | 37.4 | Very low | 90 Ų | 90 | 108.2 Ų | 108.2 | 44% | 0.443 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.6 | -38.1 | 174.8 | -137.1 | 107.9 | 72.6 | 0 | 0 | 110.6 | L85 N86 H87 S91 T92 V93 | L85-M89 HydrophobicContact CD2-CB 3.71Å; L85-M89 HydrophobicContact CD2-CE 3.83Å; L85-M89 HydrophobicContact CD2-CG 3.63Å; N86-M89 WeakPolarHBondContact O-CA 3.22Å; N86-M89 VanDerWaalsContact O-CB 3.29Å; N86-M89 WeakPolarHBondContact O-CB 3.4Å; N86-M89 PolarHBondContact O-N 3.41Å; H87-M89 VanDerWaalsContact C-N 3.33Å; H87-M89 PolarHBondContact O-N 3.21Å; M89-S91 VanDerWaalsContact C-N 3.33Å; M89-S91 PolarHBondContact O-N 2.98Å; M89-T92 PolarHBondContact O-N 2.94Å; M89-V93 WeakPolarHBondContact O-CB 3.32Å; M89-V93 WeakPolarHBondContact O-CG2 3.44Å; M89-V93 PolarHBondContact O-N 3.05Å |
| 90 | K | 44 | Very low | 37.6 | Very low | 137 Ų | 137 | 110.2 Ų | 110.2 | 60% | 0.596 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60 | -43.2 | 172.3 | -66.6 | -174.5 | 175.7 | -173.3 | 0 | 111.3 | N86 H87 T92 V93 S94 | N86-K90 PolarHBondContact O-N 3.32Å; H87-K90 WeakPolarHBondContact O-CB 3.47Å; H87-K90 PolarHBondContact O-N 3.25Å; K90-T92 VanDerWaalsContact C-N 3.31Å; K90-T92 PolarHBondContact O-N 2.87Å; K90-V93 PolarHBondContact O-N 3.34Å; K90-S94 PolarHBondContact O-N 3.4Å; K90-S94 PolarHBondContact O-OG 2.88Å |
| 91 | S | 41.3 | Very low | 37.9 | Very low | 48 Ų | 48 | 109.8 Ų | 109.8 | 34% | 0.336 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.7 | -30.8 | 177.5 | 81.5 | 0 | 0 | 0 | 0 | 113.6 | H87 D88 M89 R95 | H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 VanDerWaalsContact O-N 3.17Å; D88-S91 PolarHBondContact O-N 3.36Å; D88-S91 PolarHBondContact O-OG 3.47Å; M89-S91 VanDerWaalsContact C-N 3.33Å; M89-S91 PolarHBondContact O-N 2.98Å; S91-R95 PolarHBondContact O-N 3.44Å |
| 92 | T | 39.3 | Very low | 38.5 | Very low | 78 Ų | 78 | 111.6 Ų | 111.6 | 48% | 0.479 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -75.5 | -39 | 176.5 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | D88 M89 K90 R95 S96 | D88-T92 PolarHBondContact O-N 2.81Å; D88-T92 PolarHBondContact O-OG1 3.41Å; M89-T92 PolarHBondContact O-N 2.94Å; K90-T92 VanDerWaalsContact C-N 3.31Å; K90-T92 PolarHBondContact O-N 2.87Å; T92-R95 PolarHBondContact O-N 3.15Å; T92-R95 VanDerWaalsContact O-N 3.16Å; T92-S96 PolarHBondContact O-N 2.74Å; T92-S96 PolarHBondContact O-OG 3.11Å |
| 93 | V | 42.7 | Very low | 38.4 | Very low | 49 Ų | 49 | 111 Ų | 111 | 30% | 0.297 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.8 | -44.5 | 172.1 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | M89 K90 R95 S96 L97 | M89-V93 WeakPolarHBondContact O-CB 3.32Å; M89-V93 WeakPolarHBondContact O-CG2 3.44Å; M89-V93 PolarHBondContact O-N 3.05Å; K90-V93 PolarHBondContact O-N 3.34Å; V93-R95 VanDerWaalsContact C-N 3.26Å; V93-R95 PolarHBondContact O-N 3.39Å; V93-S96 PolarHBondContact O-N 2.87Å; V93-L97 HydrophobicContact CG1-CD1 4.38Å; V93-L97 WeakPolarHBondContact O-CG 3.22Å; V93-L97 PolarHBondContact O-N 2.93Å |
| 94 | S | 41.9 | Very low | 38.3 | Very low | 67 Ų | 67 | 106.5 Ų | 106.5 | 47% | 0.469 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.4 | -33.4 | 174.7 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | K90 Q98 | K90-S94 PolarHBondContact O-N 3.4Å; K90-S94 PolarHBondContact O-OG 2.88Å; S94-Q98 WeakPolarHBondContact O-CG 3.48Å |
| 95 | R | 36.7 | Very low | 37.9 | Very low | 175 Ų | 175 | 104.9 Ų | 104.9 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.5 | -34.2 | 179.5 | -156.1 | -179.6 | -63.3 | 170.1 | 2 | 112.4 | S91 T92 V93 Q98 | S91-R95 PolarHBondContact O-N 3.44Å; T92-R95 PolarHBondContact O-N 3.15Å; T92-R95 VanDerWaalsContact O-N 3.16Å; V93-R95 VanDerWaalsContact C-N 3.26Å; V93-R95 PolarHBondContact O-N 3.39Å; R95-Q98 PolarHBondContact O-N 3.38Å |
| 96 | S | 39.2 | Very low | 37.4 | Very low | 54 Ų | 54 | 106 Ų | 106 | 38% | 0.378 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.5 | -33.9 | 173.4 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | T92 V93 Q98 S99 | T92-S96 PolarHBondContact O-N 2.74Å; T92-S96 PolarHBondContact O-OG 3.11Å; V93-S96 PolarHBondContact O-N 2.87Å; S96-Q98 VanDerWaalsContact C-N 3.28Å; S96-Q98 PolarHBondContact O-N 3.48Å; S96-S99 PolarHBondContact O-N 3.05Å; S96-S99 VanDerWaalsContact O-N 3.1Å; S96-S99 PolarHBondContact O-OG 3.2Å |
| 97 | L | 42.1 | Very low | 36.9 | Very low | 79 Ų | 79 | 108.6 Ų | 108.6 | 41% | 0.414 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.3 | -30 | 172.6 | -73.3 | 169.9 | 0 | 0 | 0 | 113.1 | V93 S99 | V93-L97 HydrophobicContact CG1-CD1 4.38Å; V93-L97 WeakPolarHBondContact O-CG 3.22Å; V93-L97 PolarHBondContact O-N 2.93Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.24Å |
| 98 | Q | 44.9 | Very low | 36.3 | Very low | 163 Ų | 163 | 110.1 Ų | 110.1 | 76% | 0.762 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -13.8 | 174.2 | -68.2 | 173.6 | -3.5 | 0 | 0 | 113.5 | S94 R95 S96 | S94-Q98 WeakPolarHBondContact O-CG 3.48Å; R95-Q98 PolarHBondContact O-N 3.38Å; S96-Q98 VanDerWaalsContact C-N 3.28Å; S96-Q98 PolarHBondContact O-N 3.48Å |
| 99 | S | 36.9 | Very low | 36 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -6 | -179.4 | 72.6 | 0 | 0 | 0 | 0 | 114.4 | S96 L97 | S96-S99 PolarHBondContact O-N 3.05Å; S96-S99 VanDerWaalsContact O-N 3.1Å; S96-S99 PolarHBondContact O-OG 3.2Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.24Å |
| 100 | L | 32.4 | Very low | 35.4 | Very low | 113 Ų | 113 | 112.5 Ų | 112.5 | 59% | 0.592 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -86.3 | 133.9 | 171.9 | -75.5 | 158.1 | 0 | 0 | 0 | 109.3 | T102 | L100-T102 PolarHBondContact O-N 2.96Š|
| 101 | P | 31.7 | Very low | 34.6 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | trans | -68.8 | 109.6 | -176.3 | 22.8 | -25.2 | 0 | 0 | 0 | 110.3 | T103 | P101-T103 PolarHBondContact O-N 3.41Š| ||
| 102 | T | 37.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 117.7 Ų | 117.7 | 84% | 0.84 | 68% | 0.679 | S | S | * | * | trans | -78.9 | 92 | 163.2 | 46.7 | 0 | 0 | 0 | 0 | 108.6 | L100 | L100-T102 PolarHBondContact O-N 2.96Š| ||
| 103 | T | 31 | Very low | 33.9 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | -124.1 | 103.7 | 165.7 | 50 | 0 | 0 | 0 | 0 | 109.5 | P101 C105 | P101-T103 PolarHBondContact O-N 3.41Å; T103-C105 PolarHBondContact O-N 2.9Å | ||
| 104 | S | 32.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | trans | -65.4 | 99.3 | 157.8 | 48.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 105 | C | 28.2 | Very low | 32.8 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | -97.3 | 96.6 | 170.8 | -74.2 | 0 | 0 | 0 | 0 | 108.9 | T103 F107 | T103-C105 PolarHBondContact O-N 2.9Å; C105-F107 HydrophobicContact CB-CD2 4.28Å; C105-F107 PolarHBondContact O-N 3.07Å | ||
| 106 | S | 27.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | -63.7 | 110 | 154.4 | 52.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 107 | F | 28 | Very low | 32.4 | Very low | 179 Ų | 179 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -106.5 | 108 | 171.9 | -116.5 | -88.7 | 0 | 0 | 0 | 109 | C105 A109 | C105-F107 HydrophobicContact CB-CD2 4.28Å; C105-F107 PolarHBondContact O-N 3.07Å; F107-A109 PolarHBondContact O-N 3.4Å | ||
| 108 | E | 26.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -61 | 128.3 | 162.5 | -76.4 | 177.7 | 148.6 | 0 | 0 | 109.1 | D110 | E108-D110 PolarHBondContact O-N 3.43Å; E108-D110 VanDerWaalsContact O-N 3.13Å | ||
| 109 | A | 30 | Very low | 31.4 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -78.6 | 89.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F107 | F107-A109 PolarHBondContact O-N 3.4Š|
| 110 | D | 28.3 | Very low | 31.2 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -158.8 | 41.2 | 168.4 | -116.2 | -9.4 | 0 | 0 | 0 | 115.7 | E108 | E108-D110 PolarHBondContact O-N 3.43Å; E108-D110 VanDerWaalsContact O-N 3.13Å | ||
| 111 | C | 27.8 | Very low | 31.3 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | trans | -111.9 | 2.7 | 178.7 | -74.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 112 | L | 32.8 | Very low | 31.3 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 13.4 | -176.1 | -74.9 | 174.9 | 0 | 0 | 0 | 116.4 | ||
| 113 | R | 32.5 | Very low | 31.1 | Very low | 246 Ų | 246 | 137.5 Ų | 137.5 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 19.9 | -179.3 | -87 | -167.7 | -169 | 164.5 | 6.2 | 118.2 | ||
| 114 | R | 31.1 | Very low | 31.5 | Very low | 235 Ų | 235 | 139.2 Ų | 139.2 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | -136.6 | 22.8 | 176.3 | -126.2 | 177.3 | -85.7 | 149.5 | -5.7 | 117.6 | A116 | R114-A116 PolarHBondContact O-N 3.02Š| ||
| 115 | A | 32.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 95% | 0.95 | 83% | 0.828 | S | S | * | * | trans | -83 | 48 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 116 | A | 36.4 | Very low | 32.7 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -138.7 | 92.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | R114 | R114-A116 PolarHBondContact O-N 3.02Š|
| 117 | G | 30.6 | Very low | 34 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 106.5 | 92.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 118 | R | 29.9 | Very low | 35.2 | Very low | 251 Ų | 251 | 133.8 Ų | 133.8 | 95% | 0.947 | 82% | 0.819 | S | S | * | * | 168.7 | 125.6 | 113.7 | -90.7 | 171.2 | 178.4 | -159.8 | -1.1 | 110.1 | |||||
| 119 | S | 35 | Very low | 36.7 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -66.6 | 134.5 | 166.6 | -179.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 120 | A | 33.2 | Very low | 38 | Very low | 82 Ų | 82 | 126.1 Ų | 126.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 147.5 | 127.8 | 131.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 121 | V | 34.4 | Very low | 39.5 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 93% | 0.927 | 77% | 0.766 | S | S | * | * | trans | 74.4 | 115.2 | 160.2 | -165.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 122 | G | 31.4 | Very low | 40.9 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | trans | 121.4 | 120.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 123 | G | 33.3 | Very low | 42.3 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 95 | 51.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | G125 | G123-G125 VanDerWaalsContact C-N 3.27Å; G123-G125 PolarHBondContact O-N 2.93Å | ||
| 124 | S | 40 | Very low | 43.5 | Very low | 141 Ų | 141 | 110.1 Ų | 110.1 | 99% | 0.986 | 71% | 0.705 | S | S | * | * | trans | -73.4 | 81.5 | 163.6 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 125 | G | 40.4 | Very low | 44.9 | Very low | 54 Ų | 54 | 108 Ų | 108 | 56% | 0.557 | 70% | 0.697 | S | S | * | * | trans | -145.3 | 18.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G123 T127 | G123-G125 VanDerWaalsContact C-N 3.27Å; G123-G125 PolarHBondContact O-N 2.93Å; G125-T127 PolarHBondContact O-N 2.87Å | ||
| 126 | A | 45.9 | Very low | 46.4 | Very low | 86 Ų | 86 | 107.4 Ų | 107.4 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | trans | -70.2 | 89.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 127 | T | 54.5 | Low | 47.5 | Very low | 91 Ų | 91 | 108.2 Ų | 108.2 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | trans | -55.9 | 135.8 | -171.3 | 32.9 | 0 | 0 | 0 | 0 | 111.3 | G125 S129 S130 | G125-T127 PolarHBondContact O-N 2.87Å; T127-S129 PolarHBondContact O-N 3.45Å; T127-S130 PolarHBondContact O-N 3.07Å; T127-S130 PolarHBondContact O-OG 2.79Å | ||
| 128 | Q | 53.7 | Low | 49.1 | Very low | 173 Ų | 173 | 110 Ų | 110 | 81% | 0.808 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -48.2 | -26.3 | 175.8 | -68.8 | -179.8 | -11.3 | 0 | 0 | 113.7 | L131 M132 | Q128-L131 PolarHBondContact O-N 2.86Å; Q128-M132 WeakPolarHBondContact O-CB 3.08Å; Q128-M132 PolarHBondContact O-N 2.95Å |
| 129 | S | 56.7 | Low | 51.5 | Low | 71 Ų | 71 | 99.8 Ų | 99.8 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.4 | -41.8 | 171.4 | -175.3 | 0 | 0 | 0 | 0 | 113.9 | T127 M132 Q133 | T127-S129 PolarHBondContact O-N 3.45Å; S129-M132 PolarHBondContact O-N 3.41Å; S129-Q133 WeakPolarHBondContact O-CB 3.36Å; S129-Q133 WeakPolarHBondContact O-CG 3.49Å; S129-Q133 PolarHBondContact O-N 3.06Å |
| 130 | S | 57.7 | Low | 53.9 | Low | 49 Ų | 49 | 94.2 Ų | 94.2 | 34% | 0.343 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.7 | -36.5 | 179.1 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | T127 A134 | T127-S130 PolarHBondContact O-N 3.07Å; T127-S130 PolarHBondContact O-OG 2.79Å; S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 3.19Å |
| 131 | L | 60.2 | Low | 56.7 | Low | 108 Ų | 108 | 91.5 Ų | 91.5 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.5 | -38.5 | 173.5 | -69.2 | 173.3 | 0 | 0 | 0 | 112 | Q128 A134 R135 | Q128-L131 PolarHBondContact O-N 2.86Å; L131-A134 PolarHBondContact O-N 3.22Å; L131-R135 WeakPolarHBondContact O-CB 3.43Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 3.42Å |
| 132 | M | 57.5 | Low | 59.2 | Low | 124 Ų | 124 | 90.8 Ų | 90.8 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | 175.7 | -169.7 | 173 | 175.9 | 0 | 0 | 111.3 | Q128 S129 R135 M136 | Q128-M132 WeakPolarHBondContact O-CB 3.08Å; Q128-M132 PolarHBondContact O-N 2.95Å; S129-M132 PolarHBondContact O-N 3.41Å; M132-R135 PolarHBondContact O-N 2.85Å; M132-M136 HydrophobicContact CG-CE 4.36Å; M132-M136 WeakPolarHBondContact O-CG 3.42Å; M132-M136 PolarHBondContact O-N 2.79Å |
| 133 | Q | 60.8 | Low | 62 | Low | 86 Ų | 86 | 91.2 Ų | 91.2 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 172.5 | -77.4 | 179.2 | -12 | 0 | 0 | 112.1 | S129 R135 M136 R137 | S129-Q133 WeakPolarHBondContact O-CB 3.36Å; S129-Q133 WeakPolarHBondContact O-CG 3.49Å; S129-Q133 PolarHBondContact O-N 3.06Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 3.04Å; Q133-M136 HydrophobicContact CG-CE 4.25Å; Q133-M136 PolarHBondContact O-N 2.61Å; Q133-R137 VanDerWaalsContact O-CG 3.31Å; Q133-R137 WeakPolarHBondContact O-CG 3.48Å; Q133-R137 PolarHBondContact O-N 3.18Å |
| 134 | A | 57.7 | Low | 64.7 | Low | 44 Ų | 44 | 87.5 Ų | 87.5 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | S130 L131 R137 L138 | S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 3.19Å; L131-A134 PolarHBondContact O-N 3.22Å; A134-R137 PolarHBondContact O-N 3.14Å; A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 3.4Å |
| 135 | R | 62.3 | Low | 67.2 | Low | 192 Ų | 192 | 84.2 Ų | 84.2 | 73% | 0.725 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65 | -42.5 | 174.8 | -76.8 | 177.5 | 178 | -178.8 | -0.4 | 112.9 | L131 M132 Q133 R137 L138 S139 | L131-R135 WeakPolarHBondContact O-CB 3.43Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 3.42Å; M132-R135 PolarHBondContact O-N 2.85Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 3.04Å; R135-R137 VanDerWaalsContact C-N 3.31Å; R135-R137 PolarHBondContact O-N 3.14Å; R135-L138 PolarHBondContact O-N 3.5Å; R135-S139 PolarHBondContact O-N 2.9Å; R135-S139 PolarHBondContact O-OG 3.48Å |
| 136 | M | 62.1 | Low | 69.6 | Low | 102 Ų | 102 | 86.2 Ų | 86.2 | 50% | 0.502 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 175.7 | -70.6 | -173.5 | -62.7 | 0 | 0 | 112.2 | M132 Q133 S139 L140 | M132-M136 HydrophobicContact CG-CE 4.36Å; M132-M136 WeakPolarHBondContact O-CG 3.42Å; M132-M136 PolarHBondContact O-N 2.79Å; Q133-M136 HydrophobicContact CG-CE 4.25Å; Q133-M136 PolarHBondContact O-N 2.61Å; M136-S139 WeakPolarHBondContact CA-OG 3.3Å; M136-S139 PolarHBondContact O-OG 3.17Å; M136-L140 WeakPolarHBondContact O-CB 3.42Å; M136-L140 PolarHBondContact O-N 3.4Å |
| 137 | R | 60.1 | Low | 71.7 | Confident | 115 Ų | 115 | 82.4 Ų | 82.4 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 173.2 | -73.5 | 177.5 | -170.2 | -162.8 | 7.9 | 111.7 | Q133 A134 R135 S139 L140 Q141 D414 | Q133-R137 VanDerWaalsContact O-CG 3.31Å; Q133-R137 WeakPolarHBondContact O-CG 3.48Å; Q133-R137 PolarHBondContact O-N 3.18Å; A134-R137 PolarHBondContact O-N 3.14Å; R135-R137 VanDerWaalsContact C-N 3.31Å; R135-R137 PolarHBondContact O-N 3.14Å; R137-S139 VanDerWaalsContact C-N 3.34Å; R137-S139 PolarHBondContact O-N 2.89Å; R137-L140 PolarHBondContact O-N 3.34Å; R137-Q141 WeakPolarHBondContact O-CB 3.49Å; R137-Q141 PolarHBondContact O-N 2.92Å; R137-D414 WeakPolarHBondContact CD-OD1 3.49Å; R137-D414 IonicContact CZ-OD1 3.51Å; R137-D414 VanDerWaalsContact CZ-OD1 3.29Å; R137-D414 IonicContact CZ-OD2 3.41Å; R137-D414 IonicContact NE-OD1 2.64Å; R137-D414 PolarHBondContact NE-OD1 3.32Å; R137-D414 IonicContact NH1-OD1 2.81Å; R137-D414 PolarHBondContact NH1-OD1 3.33Å; R137-D414 IonicContact NH1-OD2 3.52Å; R137-D414 PolarHBondContact NH1-OD2 3.38Å |
| 138 | L | 63.9 | Low | 73.4 | Confident | 107 Ų | 107 | 79.7 Ų | 79.7 | 56% | 0.56 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 175.8 | -72.4 | 162.7 | 0 | 0 | 0 | 111.3 | A134 R135 Q141 E142 | A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 3.4Å; R135-L138 PolarHBondContact O-N 3.5Å; L138-Q141 PolarHBondContact O-N 2.75Å; L138-E142 WeakPolarHBondContact O-CG 3.15Å; L138-E142 PolarHBondContact O-N 3.41Å; L138-E142 VanDerWaalsContact O-N 3.09Å |
| 139 | S | 80.6 | Confident | 75.2 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 176.4 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | R135 M136 R137 R143 | R135-S139 PolarHBondContact O-N 2.9Å; R135-S139 PolarHBondContact O-OG 3.48Å; M136-S139 WeakPolarHBondContact CA-OG 3.3Å; M136-S139 PolarHBondContact O-OG 3.17Å; R137-S139 VanDerWaalsContact C-N 3.34Å; R137-S139 PolarHBondContact O-N 2.89Å; S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 VanDerWaalsContact O-CG 3.26Å; S139-R143 WeakPolarHBondContact O-CG 3.31Å; S139-R143 PolarHBondContact O-N 3.46Å; S139-R143 VanDerWaalsContact O-N 3.14Å |
| 140 | L | 86.4 | Confident | 76.7 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 176.5 | -179 | 61.2 | 0 | 0 | 0 | 111.6 | M136 R137 R143 L144 A413 L417 P465 E466 L469 | M136-L140 WeakPolarHBondContact O-CB 3.42Å; M136-L140 PolarHBondContact O-N 3.4Å; R137-L140 PolarHBondContact O-N 3.34Å; L140-R143 PolarHBondContact O-N 2.9Å; L140-L144 HydrophobicContact CD1-CD1 4.41Å; L140-L144 HydrophobicContact CD1-CG 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.05Å; L140-L144 HydrophobicContact CG-CG 4.4Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.15Å; L140-A413 HydrophobicContact CB-CB 4.36Å; L140-A413 HydrophobicContact CD2-CB 4.17Å; L140-A413 HydrophobicContact CG-CB 4.13Å; L140-L417 HydrophobicContact CD2-CD1 3.81Å; L140-L417 HydrophobicContact CD2-CD2 4.01Å; L140-L417 HydrophobicContact CD2-CG 3.86Å; L140-P465 HydrophobicContact CD1-CB 4.2Å; L140-P465 HydrophobicContact CD1-CG 4.04Å; L140-P465 HydrophobicContact CD2-CB 4.27Å; L140-P465 HydrophobicContact CD2-CG 3.89Å; L140-E466 HydrophobicContact CD1-CG 4.26Å; L140-L469 HydrophobicContact CD1-CD1 4.11Å |
| 141 | Q | 90.2 | Very high | 78 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 12% | 0.121 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 177.1 | -179.8 | 68.7 | 17.2 | 0 | 0 | 111.6 | R137 L138 L144 W145 R409 E410 A413 | R137-Q141 WeakPolarHBondContact O-CB 3.49Å; R137-Q141 PolarHBondContact O-N 2.92Å; L138-Q141 PolarHBondContact O-N 2.75Å; Q141-L144 PolarHBondContact O-N 2.95Å; Q141-W145 PolarHBondContact O-N 3.28Å; Q141-W145 VanDerWaalsContact O-N 3.14Å; Q141-R409 PolarHBondContact NE2-O 3.3Å; Q141-E410 PolarHBondContact OE1-O 3.19Å; Q141-A413 HydrophobicContact CB-CB 4.01Å; Q141-A413 VanDerWaalsContact OE1-CB 3.28Å |
| 142 | E | 88.6 | Confident | 79.5 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 176.3 | -71.9 | 169.7 | 178.6 | 0 | 0 | 111.3 | L138 L144 W145 D146 | L138-E142 WeakPolarHBondContact O-CG 3.15Å; L138-E142 PolarHBondContact O-N 3.41Å; L138-E142 VanDerWaalsContact O-N 3.09Å; E142-L144 PolarHBondContact O-N 2.8Å; E142-W145 PolarHBondContact O-N 2.93Å; E142-D146 PolarHBondContact O-N 3.42Å |
| 143 | R | 89.1 | Confident | 81 | Confident | 87 Ų | 87 | 73 Ų | 73 | 33% | 0.328 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67 | -34.9 | 178.7 | -72.6 | -179.7 | -174.8 | -164.2 | 31.9 | 113.8 | S139 L140 W145 D146 F147 E466 L469 | S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 VanDerWaalsContact O-CG 3.26Å; S139-R143 WeakPolarHBondContact O-CG 3.31Å; S139-R143 PolarHBondContact O-N 3.46Å; S139-R143 VanDerWaalsContact O-N 3.14Å; L140-R143 PolarHBondContact O-N 2.9Å; R143-W145 VanDerWaalsContact C-N 3.32Å; R143-D146 PolarHBondContact O-N 3.04Å; R143-F147 WeakPolarHBondContact O-CB 3.46Å; R143-F147 PolarHBondContact O-N 3.46Å; R143-E466 WeakPolarHBondContact CD-OE1 3.48Å; R143-E466 IonicContact CZ-OE1 2.68Å; R143-E466 IonicContact CZ-OE2 2.97Å; R143-E466 IonicContact NE-OE1 3.68Å; R143-E466 PolarHBondContact NE-OE1 2.69Å; R143-E466 IonicContact NE-OE2 3.31Å; R143-E466 IonicContact NH1-OE1 3.03Å; R143-E466 PolarHBondContact NH1-OE1 2.73Å; R143-E466 IonicContact NH1-OE2 3.29Å; R143-E466 PolarHBondContact NH1-OE2 3.28Å; R143-E466 VanDerWaalsContact NH2-CD 3.3Å; R143-E466 IonicContact NH2-OE1 3.42Å; R143-E466 PolarHBondContact NH2-OE1 3.08Å; R143-E466 IonicContact NH2-OE2 3.03Å; R143-E466 PolarHBondContact NH2-OE2 3.31Å; R143-L469 HydrophobicContact CB-CD1 4.34Å |
| 144 | L | 91.3 | Very high | 82.4 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 174.5 | -81.2 | 169.6 | 0 | 0 | 0 | 111.1 | L140 Q141 E142 Y148 L412 A413 F416 L469 | L140-L144 HydrophobicContact CD1-CD1 4.41Å; L140-L144 HydrophobicContact CD1-CG 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.05Å; L140-L144 HydrophobicContact CG-CG 4.4Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.15Å; Q141-L144 PolarHBondContact O-N 2.95Å; E142-L144 PolarHBondContact O-N 2.8Å; L144-Y148 VanDerWaalsContact O-CB 3.28Å; L144-Y148 WeakPolarHBondContact O-CB 3.38Å; L144-Y148 PolarHBondContact O-N 2.98Å; L144-L412 HydrophobicContact CB-CD2 4.41Å; L144-A413 HydrophobicContact CD1-CB 4.01Å; L144-F416 HydrophobicContact CD1-CB 4.01Å; L144-F416 HydrophobicContact CD1-CD1 4.26Å; L144-F416 HydrophobicContact CD1-CG 4.19Å; L144-F416 HydrophobicContact CD2-CD1 4.13Å; L144-F416 HydrophobicContact CD2-CD2 4.35Å; L144-F416 HydrophobicContact CD2-CE1 4.26Å; L144-F416 HydrophobicContact CD2-CE2 4.48Å; L144-F416 HydrophobicContact CD2-CG 4.17Å; L144-F416 HydrophobicContact CD2-CZ 4.43Å; L144-L469 HydrophobicContact CD2-CD1 3.74Å; L144-L469 HydrophobicContact CD2-CD2 3.73Å; L144-L469 HydrophobicContact CD2-CG 4.38Å; L144-L469 HydrophobicContact CG-CD1 4.02Å |
| 145 | W | 91.5 | Very high | 84 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 27% | 0.269 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 175.1 | -93.7 | 127.2 | 0 | 0 | 0 | 112.8 | Q141 E142 R143 Y148 Q149 A370 L412 | Q141-W145 PolarHBondContact O-N 3.28Å; Q141-W145 VanDerWaalsContact O-N 3.14Å; E142-W145 PolarHBondContact O-N 2.93Å; R143-W145 VanDerWaalsContact C-N 3.32Å; W145-Y148 AromaticContact CE3-CD1 3.81Å; W145-Y148 HydrophobicContact CE3-CD1 3.81Å; W145-Y148 AromaticContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CH2-CD1 4.42Å; W145-Y148 AromaticContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD2 4.48Å; W145-Y148 AromaticContact CZ3-CE1 3.73Å; W145-Y148 HydrophobicContact CZ3-CE1 3.73Å; W145-Y148 AromaticContact CZ3-CG 3.73Å; W145-Y148 HydrophobicContact CZ3-CG 3.73Å; W145-Y148 WeakPolarHBondContact O-CB 3.41Å; W145-Y148 PolarHBondContact O-N 3.06Å; W145-Q149 WeakPolarHBondContact O-CG 3.1Å; W145-Q149 PolarHBondContact O-N 3.44Å; W145-A370 HydrophobicContact CH2-CB 4.23Å; W145-L412 HydrophobicContact CZ2-CD2 4.35Å |
| 146 | D | 90.9 | Very high | 85.4 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 173.5 | -177.8 | 56.8 | 0 | 0 | 0 | 111.1 | E142 R143 Y148 Q149 T150 | E142-D146 PolarHBondContact O-N 3.42Å; R143-D146 PolarHBondContact O-N 3.04Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.47Å; D146-Q149 PolarHBondContact O-N 3.42Å; D146-T150 WeakPolarHBondContact O-CB 3.46Å; D146-T150 WeakPolarHBondContact O-CG2 3.37Å; D146-T150 PolarHBondContact O-N 3.3Å; D146-T150 PolarHBondContact O-OG1 3.15Å |
| 147 | F | 90.6 | Very high | 86.8 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.1 | -42.7 | 173.2 | 176.9 | -108.2 | 0 | 0 | 0 | 111.8 | R143 Q149 R151 V152 A377 L381 L469 A472 | R143-F147 WeakPolarHBondContact O-CB 3.46Å; R143-F147 PolarHBondContact O-N 3.46Å; F147-Q149 PolarHBondContact O-N 3.1Å; F147-R151 HydrophobicContact CD2-CB 3.89Å; F147-R151 HydrophobicContact CD2-CG 4.07Å; F147-R151 HydrophobicContact CE2-CB 3.78Å; F147-R151 HydrophobicContact CE2-CG 4.17Å; F147-R151 HydrophobicContact CZ-CB 4.49Å; F147-R151 WeakPolarHBondContact O-CB 3.41Å; F147-R151 PolarHBondContact O-N 2.91Å; F147-V152 HydrophobicContact CD1-CG2 3.52Å; F147-V152 HydrophobicContact CE1-CG2 3.38Å; F147-V152 HydrophobicContact CG-CG2 4.32Å; F147-V152 HydrophobicContact CZ-CG2 4.07Å; F147-V152 PolarHBondContact O-N 3.41Å; F147-A377 HydrophobicContact CE1-CB 3.86Å; F147-A377 HydrophobicContact CZ-CB 3.75Å; F147-L381 HydrophobicContact CE2-CD1 3.79Å; F147-L381 HydrophobicContact CZ-CD1 3.84Å; F147-L469 HydrophobicContact CD1-CD2 3.77Å; F147-L469 HydrophobicContact CD2-CB 4.28Å; F147-L469 HydrophobicContact CD2-CD2 4.49Å; F147-L469 HydrophobicContact CE1-CD2 4.02Å; F147-L469 HydrophobicContact CG-CB 4.36Å; F147-L469 HydrophobicContact CG-CD2 4.02Å; F147-L469 HydrophobicContact CZ-CD2 4.5Å; F147-A472 HydrophobicContact CE2-CB 4.49Å |
| 148 | Y | 90.4 | Very high | 88.3 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -62.1 | -43.9 | 178.8 | -171.5 | -87.3 | 0 | 0 | 0 | 112.6 | L144 W145 D146 V152 N153 A370 K373 | L144-Y148 VanDerWaalsContact O-CB 3.28Å; L144-Y148 WeakPolarHBondContact O-CB 3.38Å; L144-Y148 PolarHBondContact O-N 2.98Å; W145-Y148 AromaticContact CE3-CD1 3.81Å; W145-Y148 HydrophobicContact CE3-CD1 3.81Å; W145-Y148 AromaticContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CH2-CD1 4.42Å; W145-Y148 AromaticContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD2 4.48Å; W145-Y148 AromaticContact CZ3-CE1 3.73Å; W145-Y148 HydrophobicContact CZ3-CE1 3.73Å; W145-Y148 AromaticContact CZ3-CG 3.73Å; W145-Y148 HydrophobicContact CZ3-CG 3.73Å; W145-Y148 WeakPolarHBondContact O-CB 3.41Å; W145-Y148 PolarHBondContact O-N 3.06Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.47Å; Y148-V152 HydrophobicContact CD2-CB 3.94Å; Y148-V152 HydrophobicContact CD2-CG1 3.78Å; Y148-V152 HydrophobicContact CD2-CG2 4.23Å; Y148-V152 HydrophobicContact CE2-CB 4.45Å; Y148-V152 HydrophobicContact CE2-CG1 3.88Å; Y148-V152 HydrophobicContact CG-CB 4.23Å; Y148-V152 WeakPolarHBondContact O-CB 3.28Å; Y148-V152 PolarHBondContact O-N 2.93Å; Y148-N153 VanDerWaalsContact CD1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CD1-ND2 3.22Å; Y148-N153 VanDerWaalsContact CE1-CG 3.48Å; Y148-N153 WeakPolarHBondContact CE1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CE1-OD1 3.33Å; Y148-N153 VanDerWaalsContact CZ-OD1 3.29Å; Y148-N153 PolarHBondContact O-N 3.28Å; Y148-N153 PolarHBondContact O-ND2 2.7Å; Y148-N153 PolarHBondContact OH-OD1 3.11Å; Y148-A370 HydrophobicContact CE2-CB 4.16Å; Y148-K373 HydrophobicContact CE2-CB 3.81Å; Y148-K373 HydrophobicContact CE2-CD 4.25Å; Y148-K373 PolarHBondContact OH-NZ 3.08Å |
| 149 | Q | 90.1 | Very high | 89.6 | Confident | 132 Ų | 132 | 60.2 Ų | 60.2 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | I | π-helix | trans | -72.5 | -39.5 | -179.4 | -69.3 | 177.3 | 15.2 | 0 | 0 | 112.4 | W145 D146 F147 | W145-Q149 WeakPolarHBondContact O-CG 3.1Å; W145-Q149 PolarHBondContact O-N 3.44Å; D146-Q149 PolarHBondContact O-N 3.42Å; F147-Q149 PolarHBondContact O-N 3.1Å |
| 150 | T | 88.6 | Confident | 90.2 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -87.9 | -33.7 | -172.3 | 56.6 | 0 | 0 | 0 | 0 | 114 | D146 | D146-T150 WeakPolarHBondContact O-CB 3.46Å; D146-T150 WeakPolarHBondContact O-CG2 3.37Å; D146-T150 PolarHBondContact O-N 3.3Å; D146-T150 PolarHBondContact O-OG1 3.15Å |
| 151 | R | 86 | Confident | 90.5 | Very high | 111 Ų | 111 | 63.3 Ų | 63.3 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | I | π-helix | trans | -125.3 | -28.8 | -169.7 | -61.4 | -62.6 | -170.7 | 154.6 | 6.5 | 114.6 | F147 V202 A472 | F147-R151 HydrophobicContact CD2-CB 3.89Å; F147-R151 HydrophobicContact CD2-CG 4.07Å; F147-R151 HydrophobicContact CE2-CB 3.78Å; F147-R151 HydrophobicContact CE2-CG 4.17Å; F147-R151 HydrophobicContact CZ-CB 4.49Å; F147-R151 WeakPolarHBondContact O-CB 3.41Å; F147-R151 PolarHBondContact O-N 2.91Å; R151-V202 WeakPolarHBondContact O-CA 3.32Å; R151-A472 PolarHBondContact NH2-O 3.02Å |
| 152 | V | 89.9 | Confident | 90.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -85 | -46.1 | -175 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | F147 Y148 V201 V202 K373 A377 | F147-V152 HydrophobicContact CD1-CG2 3.52Å; F147-V152 HydrophobicContact CE1-CG2 3.38Å; F147-V152 HydrophobicContact CG-CG2 4.32Å; F147-V152 HydrophobicContact CZ-CG2 4.07Å; F147-V152 PolarHBondContact O-N 3.41Å; Y148-V152 HydrophobicContact CD2-CB 3.94Å; Y148-V152 HydrophobicContact CD2-CG1 3.78Å; Y148-V152 HydrophobicContact CD2-CG2 4.23Å; Y148-V152 HydrophobicContact CE2-CB 4.45Å; Y148-V152 HydrophobicContact CE2-CG1 3.88Å; Y148-V152 HydrophobicContact CG-CB 4.23Å; Y148-V152 WeakPolarHBondContact O-CB 3.28Å; Y148-V152 PolarHBondContact O-N 2.93Å; V152-V201 HydrophobicContact CG1-CB 4.2Å; V152-V201 HydrophobicContact CG1-CG1 3.74Å; V152-V201 WeakPolarHBondContact O-CA 3.29Å; V152-V202 PolarHBondContact O-N 3.02Å; V152-K373 HydrophobicContact CG1-CB 3.59Å; V152-K373 WeakPolarHBondContact CG1-O 3.44Å; V152-A377 HydrophobicContact CB-CB 4.25Å; V152-A377 HydrophobicContact CG1-CB 4.2Å; V152-A377 HydrophobicContact CG2-CB 3.61Å |
| 153 | N | 89.8 | Confident | 90.8 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 31% | 0.31 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -72.9 | 131.9 | -177.9 | -74.8 | -27.4 | 0 | 0 | 0 | 111.8 | Y148 K373 | Y148-N153 VanDerWaalsContact CD1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CD1-ND2 3.22Å; Y148-N153 VanDerWaalsContact CE1-CG 3.48Å; Y148-N153 WeakPolarHBondContact CE1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CE1-OD1 3.33Å; Y148-N153 VanDerWaalsContact CZ-OD1 3.29Å; Y148-N153 PolarHBondContact O-N 3.28Å; Y148-N153 PolarHBondContact O-ND2 2.7Å; Y148-N153 PolarHBondContact OH-OD1 3.11Å; N153-K373 PolarHBondContact OD1-NZ 3.29Å |
| 154 | I | 90.7 | Very high | 91 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -86 | 136.6 | 170.8 | -59.2 | 167.2 | 0 | 0 | 0 | 107 | A156 E158 Q159 Q200 T203 A204 | I154-A156 PolarHBondContact O-N 3.08Å; I154-E158 HydrophobicContact CG2-CB 3.95Å; I154-E158 HydrophobicContact CG2-CG 3.84Å; I154-Q159 HydrophobicContact CG2-CB 4.19Å; I154-Q200 HydrophobicContact CD1-CB 3.77Å; I154-Q200 HydrophobicContact CD1-CG 3.77Å; I154-T203 VanDerWaalsContact CD1-C 3.47Å; I154-A204 HydrophobicContact CD1-CB 4.43Å; I154-A204 HydrophobicContact CG2-CB 4.29Å |
| 155 | P | 91.6 | Very high | 91.1 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 135.6 | 172 | -25.7 | 34.3 | 0 | 0 | 0 | 111.3 | E157 E158 Q159 | P155-E157 PolarHBondContact O-N 3.44Å; P155-E158 HydrophobicContact CB-CB 4.22Å; P155-E158 WeakPolarHBondContact O-CB 3.21Å; P155-E158 PolarHBondContact O-N 2.98Å; P155-E158 VanDerWaalsContact O-N 3.11Å; P155-Q159 PolarHBondContact O-N 3.35Å |
| 156 | A | 90.4 | Very high | 91.2 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.4 | -34.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I154 A160 | I154-A156 PolarHBondContact O-N 3.08Å; A156-A160 VanDerWaalsContact O-CB 3.3Å; A156-A160 WeakPolarHBondContact O-CB 3.46Å; A156-A160 PolarHBondContact O-N 2.79Å |
| 157 | E | 91.6 | Very high | 91.3 | Very high | 165 Ų | 165 | 58.6 Ų | 58.6 | 77% | 0.771 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.8 | -48.8 | 175.4 | -64 | -176.5 | 172 | 0 | 0 | 111.7 | P155 Q159 A160 T161 | P155-E157 PolarHBondContact O-N 3.44Å; E157-Q159 VanDerWaalsContact C-N 3.31Å; E157-Q159 PolarHBondContact O-N 3.04Å; E157-A160 PolarHBondContact O-N 3.31Å; E157-T161 PolarHBondContact O-N 3.47Å; E157-T161 PolarHBondContact O-OG1 3.34Å; E157-T161 VanDerWaalsContact O-OG1 3.05Å |
| 158 | E | 91.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.9 | -47 | 175.8 | 177.1 | -179.8 | 158.3 | 0 | 0 | 110.9 | I154 P155 A160 T161 A162 T203 A204 R311 | I154-E158 HydrophobicContact CG2-CB 3.95Å; I154-E158 HydrophobicContact CG2-CG 3.84Å; P155-E158 HydrophobicContact CB-CB 4.22Å; P155-E158 WeakPolarHBondContact O-CB 3.21Å; P155-E158 PolarHBondContact O-N 2.98Å; P155-E158 VanDerWaalsContact O-N 3.11Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.15Å; E158-T161 PolarHBondContact O-N 3.36Å; E158-A162 WeakPolarHBondContact O-CB 3.31Å; E158-A162 PolarHBondContact O-N 3.28Å; E158-T203 WeakPolarHBondContact OE1-CA 3.31Å; E158-T203 PolarHBondContact OE1-OG1 3.08Å; E158-A204 HydrophobicContact CG-CB 4.06Å; E158-A204 PolarHBondContact OE1-N 3.38Å; E158-R311 VanDerWaalsContact CB-NH1 3.34Å; E158-R311 VanDerWaalsContact CD-CZ 3.5Å; E158-R311 IonicContact OE2-CZ 2.97Å; E158-R311 IonicContact OE2-NE 3.98Å; E158-R311 IonicContact OE2-NH1 2.59Å; E158-R311 IonicContact OE2-NH2 2.88Å; E158-R311 PolarHBondContact OE2-NH2 3.48Å |
| 159 | Q | 91.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 59 Ų | 59 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | -178.8 | -162.2 | -172.5 | -8.1 | 0 | 0 | 111.9 | I154 P155 E157 R163 L195 D198 | I154-Q159 HydrophobicContact CG2-CB 4.19Å; P155-Q159 PolarHBondContact O-N 3.35Å; E157-Q159 VanDerWaalsContact C-N 3.31Å; E157-Q159 PolarHBondContact O-N 3.04Å; Q159-R163 WeakPolarHBondContact O-CB 3.39Å; Q159-R163 PolarHBondContact O-N 3.03Å; Q159-L195 HydrophobicContact CG-CD1 3.67Å; Q159-L195 PolarHBondContact NE2-O 3.18Å; Q159-D198 PolarHBondContact NE2-OD1 3.43Å |
| 160 | A | 92.3 | Very high | 91.5 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A156 E157 E158 R163 R164 | A156-A160 VanDerWaalsContact O-CB 3.3Å; A156-A160 WeakPolarHBondContact O-CB 3.46Å; A156-A160 PolarHBondContact O-N 2.79Å; E157-A160 PolarHBondContact O-N 3.31Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.15Å; A160-R163 PolarHBondContact O-N 3.26Å; A160-R164 WeakPolarHBondContact O-CB 3.44Å; A160-R164 PolarHBondContact O-N 2.94Å |
| 161 | T | 93.1 | Very high | 91.5 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | E157 E158 R163 R164 A165 Y307 | E157-T161 PolarHBondContact O-N 3.47Å; E157-T161 PolarHBondContact O-OG1 3.34Å; E157-T161 VanDerWaalsContact O-OG1 3.05Å; E158-T161 PolarHBondContact O-N 3.36Å; T161-R163 VanDerWaalsContact C-N 3.34Å; T161-R163 PolarHBondContact O-N 3.49Å; T161-R164 WeakPolarHBondContact O-CB 3.48Å; T161-R164 PolarHBondContact O-N 3.1Å; T161-A165 PolarHBondContact O-N 3.44Å; T161-Y307 HydrophobicContact CG2-CD2 3.75Å; T161-Y307 HydrophobicContact CG2-CE2 4.23Å |
| 162 | A | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E158 R164 A165 A166 L195 A204 Y307 L313 | E158-A162 WeakPolarHBondContact O-CB 3.31Å; E158-A162 PolarHBondContact O-N 3.28Å; A162-R164 VanDerWaalsContact C-N 3.33Å; A162-R164 PolarHBondContact O-N 2.82Å; A162-A165 PolarHBondContact O-N 3.18Å; A162-A166 PolarHBondContact O-N 2.88Å; A162-A166 VanDerWaalsContact O-N 3.09Å; A162-L195 HydrophobicContact CB-CD1 4.37Å; A162-L195 HydrophobicContact CB-CD2 4.12Å; A162-A204 HydrophobicContact CB-CB 3.5Å; A162-A204 VanDerWaalsContact CB-CB 3.5Å; A162-Y307 HydrophobicContact CB-CE1 4.3Å; A162-L313 WeakPolarHBondContact O-CD2 3.12Å |
| 163 | R | 93.1 | Very high | 91.6 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 174.9 | -179.2 | 179.6 | -66.6 | 173.3 | 0.6 | 111.3 | Q159 A160 T161 A166 L167 L191 L195 Y196 D198 | Q159-R163 WeakPolarHBondContact O-CB 3.39Å; Q159-R163 PolarHBondContact O-N 3.03Å; A160-R163 PolarHBondContact O-N 3.26Å; T161-R163 VanDerWaalsContact C-N 3.34Å; T161-R163 PolarHBondContact O-N 3.49Å; R163-A166 PolarHBondContact O-N 3.37Å; R163-L167 HydrophobicContact CG-CD1 4.25Å; R163-L167 WeakPolarHBondContact O-CG 3.45Å; R163-L167 PolarHBondContact O-N 3.37Å; R163-L167 VanDerWaalsContact O-N 3.1Å; R163-L191 HydrophobicContact CG-CD2 4.09Å; R163-L195 PolarHBondContact NH2-O 3.39Å; R163-Y196 PolarHBondContact NH2-O 3.02Å; R163-D198 IonicContact CZ-OD1 3.72Å; R163-D198 IonicContact NH2-OD1 3.57Å; R163-D198 PolarHBondContact NH2-OD1 3.2Å |
| 164 | R | 93.4 | Very high | 91.4 | Very high | 170 Ų | 170 | 50.6 Ų | 50.6 | 64% | 0.642 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.9 | -48.6 | 177.4 | -171.8 | 172.1 | -159.8 | 152.8 | 5.8 | 111.5 | A160 T161 A162 A166 L167 D168 | A160-R164 WeakPolarHBondContact O-CB 3.44Å; A160-R164 PolarHBondContact O-N 2.94Å; T161-R164 WeakPolarHBondContact O-CB 3.48Å; T161-R164 PolarHBondContact O-N 3.1Å; A162-R164 VanDerWaalsContact C-N 3.33Å; A162-R164 PolarHBondContact O-N 2.82Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 2.91Å; R164-L167 PolarHBondContact O-N 3.44Å; R164-D168 VanDerWaalsContact O-CG 3.31Å; R164-D168 PolarHBondContact O-N 3.44Å |
| 165 | A | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.2 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T161 A162 L167 D168 I169 Y290 L313 | T161-A165 PolarHBondContact O-N 3.44Å; A162-A165 PolarHBondContact O-N 3.18Å; A165-L167 PolarHBondContact O-N 3.43Å; A165-D168 PolarHBondContact O-N 2.97Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.44Å; A165-I169 PolarHBondContact O-N 2.84Å; A165-I169 VanDerWaalsContact O-N 3.09Å; A165-Y290 HydrophobicContact CB-CD2 4.48Å; A165-Y290 HydrophobicContact CB-CE1 4.41Å; A165-Y290 HydrophobicContact CB-CE2 3.81Å; A165-L313 HydrophobicContact CB-CD2 4.45Å |
| 166 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A162 R163 R164 C170 L191 A207 L313 | A162-A166 PolarHBondContact O-N 2.88Å; A162-A166 VanDerWaalsContact O-N 3.09Å; R163-A166 PolarHBondContact O-N 3.37Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 2.91Å; A166-C170 WeakPolarHBondContact O-CB 3.37Å; A166-C170 PolarHBondContact O-N 2.92Å; A166-L191 HydrophobicContact CB-CD1 3.81Å; A166-L191 HydrophobicContact CB-CD2 4.15Å; A166-A207 HydrophobicContact CB-CB 4.16Å; A166-L313 HydrophobicContact CB-CD2 4.13Å |
| 167 | L | 92.9 | Very high | 90.8 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.7 | -39.1 | 178.2 | -71.6 | 172.4 | 0 | 0 | 0 | 112.4 | R163 R164 A165 C170 A171 L191 | R163-L167 HydrophobicContact CG-CD1 4.25Å; R163-L167 WeakPolarHBondContact O-CG 3.45Å; R163-L167 PolarHBondContact O-N 3.37Å; R163-L167 VanDerWaalsContact O-N 3.1Å; R164-L167 PolarHBondContact O-N 3.44Å; A165-L167 PolarHBondContact O-N 3.43Å; L167-C170 VanDerWaalsContact O-CB 3.32Å; L167-C170 WeakPolarHBondContact O-CB 3.29Å; L167-C170 PolarHBondContact O-N 2.91Å; L167-A171 PolarHBondContact O-N 2.79Å; L167-L191 HydrophobicContact CD2-CB 4.19Å; L167-L191 HydrophobicContact CD2-CD2 4.42Å; L167-L191 HydrophobicContact CG-CD2 4.46Å |
| 168 | D | 92.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.8 | -66.2 | -20.5 | 0 | 0 | 0 | 110.3 | R164 A165 C170 A171 E172 L288 Y290 | R164-D168 VanDerWaalsContact O-CG 3.31Å; R164-D168 PolarHBondContact O-N 3.44Å; A165-D168 PolarHBondContact O-N 2.97Å; D168-C170 PolarHBondContact O-N 3.09Å; D168-A171 PolarHBondContact O-N 2.7Å; D168-E172 PolarHBondContact O-N 3.29Å; D168-L288 HydrophobicContact CB-CD1 4.12Å; D168-L288 HydrophobicContact CB-CD2 4.1Å; D168-Y290 HydrophobicContact CB-CE2 4.43Å |
| 169 | I | 90.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 173.4 | -69.6 | 169.2 | 0 | 0 | 0 | 111.7 | A165 A171 E172 L173 L288 I292 L303 V305 | A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.44Å; A165-I169 PolarHBondContact O-N 2.84Å; A165-I169 VanDerWaalsContact O-N 3.09Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 2.83Å; I169-E172 PolarHBondContact O-N 2.96Å; I169-L173 HydrophobicContact CG2-CD1 3.83Å; I169-L173 HydrophobicContact CG2-CG 4.47Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.44Å; I169-L173 WeakPolarHBondContact O-CG 2.92Å; I169-L173 PolarHBondContact O-N 3.19Å; I169-L288 HydrophobicContact CG1-CD1 4.33Å; I169-I292 HydrophobicContact CD1-CD1 4.19Å; I169-I292 HydrophobicContact CD1-CG1 4.5Å; I169-I292 HydrophobicContact CG1-CD1 4.1Å; I169-L303 HydrophobicContact CG2-CD1 4.24Å; I169-V305 HydrophobicContact CD1-CB 4.04Å; I169-V305 HydrophobicContact CD1-CG1 3.64Å; I169-V305 HydrophobicContact CD1-CG2 3.21Å |
| 170 | C | 90.9 | Very high | 90 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57 | -44.1 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | A166 L167 D168 R174 L209 | A166-C170 WeakPolarHBondContact O-CB 3.37Å; A166-C170 PolarHBondContact O-N 2.92Å; L167-C170 VanDerWaalsContact O-CB 3.32Å; L167-C170 WeakPolarHBondContact O-CB 3.29Å; L167-C170 PolarHBondContact O-N 2.91Å; D168-C170 PolarHBondContact O-N 3.09Å; C170-R174 VanDerWaalsContact O-CB 3.3Å; C170-R174 WeakPolarHBondContact O-CB 3.45Å; C170-R174 PolarHBondContact O-N 2.79Å; C170-L209 HydrophobicContact CB-CD1 3.5Å; C170-L209 HydrophobicContact CB-CD2 4.37Å |
| 171 | A | 90.4 | Very high | 89.6 | Confident | 30 Ų | 30 | 53 Ų | 53 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -47.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L167 D168 I169 R174 V175 | L167-A171 PolarHBondContact O-N 2.79Å; D168-A171 PolarHBondContact O-N 2.7Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 2.83Å; A171-R174 PolarHBondContact O-N 2.77Å; A171-V175 WeakPolarHBondContact O-CG2 3.44Å; A171-V175 PolarHBondContact O-N 3.37Å |
| 172 | E | 89.3 | Confident | 89.3 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 178.6 | -71.1 | -58.2 | 138.2 | 0 | 0 | 112.1 | D168 I169 R174 V175 F176 I284 L288 | D168-E172 PolarHBondContact O-N 3.29Å; I169-E172 PolarHBondContact O-N 2.96Å; E172-R174 VanDerWaalsContact C-N 3.34Å; E172-R174 PolarHBondContact O-N 2.86Å; E172-V175 PolarHBondContact O-N 2.98Å; E172-F176 PolarHBondContact O-N 3.2Å; E172-I284 HydrophobicContact CB-CD1 4.5Å; E172-I284 HydrophobicContact CB-CG2 4.07Å; E172-I284 HydrophobicContact CG-CG2 4.07Å; E172-L288 HydrophobicContact CG-CD1 4.1Å; E172-L288 HydrophobicContact CG-CD2 4.44Å |
| 173 | L | 86.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.7 | -89 | 173.6 | 0 | 0 | 0 | 113.4 | I169 V175 F176 L177 I279 W281 L303 F317 | I169-L173 HydrophobicContact CG2-CD1 3.83Å; I169-L173 HydrophobicContact CG2-CG 4.47Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.44Å; I169-L173 WeakPolarHBondContact O-CG 2.92Å; I169-L173 PolarHBondContact O-N 3.19Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 2.95Å; L173-F176 PolarHBondContact O-N 3.37Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 WeakPolarHBondContact O-CG 3.45Å; L173-L177 PolarHBondContact O-N 2.86Å; L173-I279 HydrophobicContact CD2-CD1 3.28Å; L173-W281 HydrophobicContact CD1-CH2 3.99Å; L173-W281 HydrophobicContact CD2-CH2 3.64Å; L173-W281 HydrophobicContact CD2-CZ2 4.38Å; L173-W281 HydrophobicContact CD2-CZ3 4.42Å; L173-W281 HydrophobicContact CG-CH2 3.95Å; L173-W281 HydrophobicContact CG-CZ3 4.4Å; L173-L303 HydrophobicContact CD1-CD1 4.44Å; L173-F317 HydrophobicContact CD1-CD1 4.24Å; L173-F317 HydrophobicContact CD1-CE1 3.09Å; L173-F317 HydrophobicContact CD1-CZ 3.28Å |
| 174 | R | 86.6 | Confident | 88.9 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.3 | 174.3 | 176.9 | 49.5 | 105.8 | 8.6 | 110.7 | C170 A171 E172 L177 H178 | C170-R174 VanDerWaalsContact O-CB 3.3Å; C170-R174 WeakPolarHBondContact O-CB 3.45Å; C170-R174 PolarHBondContact O-N 2.79Å; A171-R174 PolarHBondContact O-N 2.77Å; E172-R174 VanDerWaalsContact C-N 3.34Å; E172-R174 PolarHBondContact O-N 2.86Å; R174-L177 PolarHBondContact O-N 2.7Å; R174-H178 PolarHBondContact O-N 3.31Å; R174-H178 VanDerWaalsContact O-N 3.11Å; R174-H178 PolarHBondContact O-ND1 3.1Å |
| 175 | V | 87.9 | Confident | 88.9 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | A171 E172 L173 L177 A179 | A171-V175 WeakPolarHBondContact O-CG2 3.44Å; A171-V175 PolarHBondContact O-N 3.37Å; E172-V175 PolarHBondContact O-N 2.98Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 2.95Å; V175-L177 PolarHBondContact O-N 2.94Å; V175-A179 WeakPolarHBondContact O-CB 3.35Å; V175-A179 PolarHBondContact O-N 3.3Å |
| 176 | F | 86.9 | Confident | 88.8 | Confident | 37 Ų | 37 | 54 Ų | 54 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 179.5 | -179.4 | -90.4 | 0 | 0 | 0 | 112.6 | E172 L173 A179 K180 S278 I279 | E172-F176 PolarHBondContact O-N 3.2Å; L173-F176 PolarHBondContact O-N 3.37Å; F176-A179 PolarHBondContact O-N 3.36Å; F176-K180 HydrophobicContact CD1-CG 4.11Å; F176-K180 HydrophobicContact CD2-CG 4.22Å; F176-K180 HydrophobicContact CE1-CB 4.24Å; F176-K180 HydrophobicContact CE1-CG 3.64Å; F176-K180 HydrophobicContact CE2-CD 4.39Å; F176-K180 HydrophobicContact CE2-CG 3.79Å; F176-K180 HydrophobicContact CG-CG 4.38Å; F176-K180 HydrophobicContact CZ-CD 4.22Å; F176-K180 HydrophobicContact CZ-CG 3.48Å; F176-K180 VanDerWaalsContact CZ-CG 3.48Å; F176-K180 WeakPolarHBondContact O-CB 3.21Å; F176-K180 WeakPolarHBondContact O-CG 3.31Å; F176-K180 PolarHBondContact O-N 2.91Å; F176-S278 WeakPolarHBondContact CZ-O 3.27Å; F176-I279 HydrophobicContact CD1-CD1 3.68Å; F176-I279 HydrophobicContact CD1-CG1 3.5Å; F176-I279 HydrophobicContact CD2-CG1 4.18Å; F176-I279 HydrophobicContact CE1-CD1 3.81Å; F176-I279 HydrophobicContact CE1-CG1 3.19Å; F176-I279 HydrophobicContact CE2-CG1 3.91Å; F176-I279 HydrophobicContact CG-CD1 4.26Å; F176-I279 HydrophobicContact CG-CG1 3.98Å; F176-I279 HydrophobicContact CZ-CB 4.32Å; F176-I279 HydrophobicContact CZ-CD1 4.45Å; F176-I279 HydrophobicContact CZ-CG1 3.4Å |
| 177 | L | 85.3 | Confident | 88.7 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -39.5 | -177.1 | -73.8 | 168.7 | 0 | 0 | 0 | 111.9 | L173 R174 V175 A179 K180 L181 L186 M189 L274 | L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 WeakPolarHBondContact O-CG 3.45Å; L173-L177 PolarHBondContact O-N 2.86Å; R174-L177 PolarHBondContact O-N 2.7Å; V175-L177 PolarHBondContact O-N 2.94Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.36Å; L177-K180 PolarHBondContact O-N 3.49Å; L177-L181 CarbonylContact O-C 3.11Å; L177-L181 PolarHBondContact O-N 3.39Å; L177-L186 HydrophobicContact CD1-CD1 4.5Å; L177-M189 HydrophobicContact CD1-CE 3.11Å; L177-M189 HydrophobicContact CD1-SD 4.2Å; L177-M189 HydrophobicContact CG-CE 4.44Å; L177-L274 HydrophobicContact CD2-CD1 4.32Å |
| 178 | H | 84.7 | Confident | 88.5 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 173.3 | -77.2 | 77.8 | 0 | 0 | 0 | 112.2 | R174 | R174-H178 PolarHBondContact O-N 3.31Å; R174-H178 VanDerWaalsContact O-N 3.11Å; R174-H178 PolarHBondContact O-ND1 3.1Å |
| 179 | A | 87.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 63 Ų | 63 | 65% | 0.653 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.6 | -36.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V175 F176 L177 | V175-A179 WeakPolarHBondContact O-CB 3.35Å; V175-A179 PolarHBondContact O-N 3.3Å; F176-A179 PolarHBondContact O-N 3.36Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.36Å |
| 180 | K | 85.9 | Confident | 88.5 | Confident | 129 Ų | 129 | 67.9 Ų | 67.9 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -87.6 | -33.6 | -176.6 | -71.5 | -64.4 | -173.2 | 177.9 | 0 | 113.9 | F176 L177 | F176-K180 HydrophobicContact CD1-CG 4.11Å; F176-K180 HydrophobicContact CD2-CG 4.22Å; F176-K180 HydrophobicContact CE1-CB 4.24Å; F176-K180 HydrophobicContact CE1-CG 3.64Å; F176-K180 HydrophobicContact CE2-CD 4.39Å; F176-K180 HydrophobicContact CE2-CG 3.79Å; F176-K180 HydrophobicContact CG-CG 4.38Å; F176-K180 HydrophobicContact CZ-CD 4.22Å; F176-K180 HydrophobicContact CZ-CG 3.48Å; F176-K180 VanDerWaalsContact CZ-CG 3.48Å; F176-K180 WeakPolarHBondContact O-CB 3.21Å; F176-K180 WeakPolarHBondContact O-CG 3.31Å; F176-K180 PolarHBondContact O-N 2.91Å; L177-K180 PolarHBondContact O-N 3.49Å |
| 181 | L | 84.3 | Confident | 88.6 | Confident | 41 Ų | 41 | 67.7 Ų | 67.7 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | trans | -133.2 | 68.8 | -176 | -65.1 | 176.3 | 0 | 0 | 0 | 110.3 | L177 D183 M184 L274 | L177-L181 CarbonylContact O-C 3.11Å; L177-L181 PolarHBondContact O-N 3.39Å; L181-D183 PolarHBondContact O-N 2.91Å; L181-M184 HydrophobicContact CB-CB 3.79Å; L181-M184 HydrophobicContact CB-SD 4.47Å; L181-M184 HydrophobicContact CD1-CE 4.38Å; L181-M184 HydrophobicContact CD1-SD 3.75Å; L181-M184 WeakPolarHBondContact O-CB 3.43Å; L181-M184 PolarHBondContact O-N 3.4Å; L181-M184 VanDerWaalsContact O-N 3.08Å; L181-L274 HydrophobicContact CD1-CD1 3.31Å; L181-L274 HydrophobicContact CD1-CD2 3.67Å; L181-L274 HydrophobicContact CD1-CG 4.12Å; L181-L274 HydrophobicContact CG-CD2 4.3Å | ||
| 182 | P | 85.9 | Confident | 88.6 | Confident | 97 Ų | 97 | 66.7 Ų | 66.7 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.8 | -179.9 | 27 | -35.4 | 0 | 0 | 0 | 112.4 | M184 | P182-M184 VanDerWaalsContact C-N 3.31Š|
| 183 | D | 88.4 | Confident | 88.6 | Confident | 134 Ų | 134 | 63.3 Ų | 63.3 | 72% | 0.717 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8 | 179.6 | -56.5 | -31.7 | 0 | 0 | 0 | 113.3 | L181 P185 Y252 | L181-D183 PolarHBondContact O-N 2.91Å; D183-P185 WeakPolarHBondContact O-CD 3.46Å; D183-Y252 HydrophobicContact CB-CD2 4.48Å; D183-Y252 VanDerWaalsContact O-CD2 3.29Å; D183-Y252 WeakPolarHBondContact O-CD2 3.39Å |
| 184 | M | 90.4 | Very high | 88.7 | Confident | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.064 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -78 | 118.5 | -178.9 | -170.4 | -179.1 | -140 | 0 | 0 | 109.8 | L181 P182 L186 Y252 W253 V270 F271 L274 | L181-M184 HydrophobicContact CB-CB 3.79Å; L181-M184 HydrophobicContact CB-SD 4.47Å; L181-M184 HydrophobicContact CD1-CE 4.38Å; L181-M184 HydrophobicContact CD1-SD 3.75Å; L181-M184 WeakPolarHBondContact O-CB 3.43Å; L181-M184 PolarHBondContact O-N 3.4Å; L181-M184 VanDerWaalsContact O-N 3.08Å; P182-M184 VanDerWaalsContact C-N 3.31Å; M184-L186 HydrophobicContact CB-CG 4.41Å; M184-L186 HydrophobicContact CG-CD1 4.12Å; M184-L186 HydrophobicContact CG-CD2 4.02Å; M184-L186 HydrophobicContact CG-CG 3.78Å; M184-L186 PolarHBondContact O-N 2.89Å; M184-L186 HydrophobicContact SD-CD1 3.66Å; M184-L186 HydrophobicContact SD-CD2 4.08Å; M184-L186 HydrophobicContact SD-CG 3.95Å; M184-Y252 HydrophobicContact CB-CE1 4.16Å; M184-Y252 HydrophobicContact CB-CE2 4.02Å; M184-Y252 HydrophobicContact CE-CE1 4.06Å; M184-Y252 HydrophobicContact CG-CD1 4.36Å; M184-Y252 HydrophobicContact CG-CE1 3.64Å; M184-Y252 HydrophobicContact CG-CE2 4.41Å; M184-W253 HydrophobicContact CE-CH2 3.88Å; M184-W253 HydrophobicContact CE-CZ3 4.06Å; M184-W253 HydrophobicContact CG-CH2 4.11Å; M184-V270 HydrophobicContact CE-CG1 4.25Å; M184-F271 HydrophobicContact CE-CE1 3.93Å; M184-F271 HydrophobicContact CE-CE2 4.01Å; M184-F271 HydrophobicContact CE-CZ 3.6Å; M184-F271 HydrophobicContact SD-CE1 4.29Å; M184-F271 HydrophobicContact SD-CZ 4.26Å; M184-L274 HydrophobicContact CE-CD1 4.5Å |
| 185 | P | 92.1 | Very high | 88.9 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -80.6 | 86.8 | -173.5 | 34.8 | -36.7 | 0 | 0 | 0 | 110.1 | D183 V214 Y252 W253 | D183-P185 WeakPolarHBondContact O-CD 3.46Å; P185-V214 HydrophobicContact CB-CB 4.14Å; P185-V214 PolarHBondContact O-N 3.37Å; P185-Y252 VanDerWaalsContact CD-CG 3.47Å; P185-Y252 HydrophobicContact CG-CD1 4.4Å; P185-Y252 HydrophobicContact CG-CG 4.3Å; P185-W253 HydrophobicContact CG-CZ2 3.83Å | ||
| 186 | L | 91.2 | Very high | 88.9 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -112.4 | 147.5 | 178.1 | -58.5 | 179.6 | 0 | 0 | 0 | 110.9 | L177 M184 M189 V211 L213 W253 F271 | L177-L186 HydrophobicContact CD1-CD1 4.5Å; M184-L186 HydrophobicContact CB-CG 4.41Å; M184-L186 HydrophobicContact CG-CD1 4.12Å; M184-L186 HydrophobicContact CG-CD2 4.02Å; M184-L186 HydrophobicContact CG-CG 3.78Å; M184-L186 PolarHBondContact O-N 2.89Å; M184-L186 HydrophobicContact SD-CD1 3.66Å; M184-L186 HydrophobicContact SD-CD2 4.08Å; M184-L186 HydrophobicContact SD-CG 3.95Å; L186-M189 HydrophobicContact CD1-CE 4.09Å; L186-V211 HydrophobicContact CD2-CG1 4.21Å; L186-L213 HydrophobicContact CD2-CD2 3.34Å; L186-W253 HydrophobicContact CD2-CH2 4.26Å; L186-W253 HydrophobicContact CD2-CZ2 4.45Å; L186-F271 HydrophobicContact CD2-CZ 4.09Å |
| 187 | R | 90.9 | Very high | 89 | Confident | 159 Ų | 159 | 60.4 Ų | 60.4 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | trans | -92.6 | 176.8 | 162.5 | -53.1 | -170.6 | 175.7 | 175.8 | 1.6 | 110.4 | M189 P212 V214 | R187-M189 PolarHBondContact O-N 3.45Å; R187-P212 HydrophobicContact CB-CB 4.05Å; R187-P212 HydrophobicContact CB-CG 4.32Å; R187-P212 HydrophobicContact CG-CB 4.45Å; R187-P212 PolarHBondContact N-O 3.29Å; R187-V214 HydrophobicContact CG-CG2 3.44Å; R187-V214 VanDerWaalsContact CG-CG2 3.44Å | ||
| 188 | E | 89.3 | Confident | 89.2 | Confident | 145 Ų | 145 | 64 Ų | 64 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | trans | -58.1 | 129.4 | 173.6 | -63.6 | -171.2 | 158.4 | 0 | 0 | 111.3 | P212 | E188-P212 WeakPolarHBondContact O-CD 3.39Å; E188-P212 WeakPolarHBondContact O-CG 3.24Å | ||
| 189 | M | 91.7 | Very high | 89.5 | Confident | 17 Ų | 17 | 59 Ų | 59 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | trans | -73.2 | 145.7 | 173.9 | -60.9 | 177.9 | -171.5 | 0 | 0 | 109.8 | L177 L186 R187 L209 M210 V211 | L177-M189 HydrophobicContact CD1-CE 3.11Å; L177-M189 HydrophobicContact CD1-SD 4.2Å; L177-M189 HydrophobicContact CG-CE 4.44Å; L186-M189 HydrophobicContact CD1-CE 4.09Å; R187-M189 PolarHBondContact O-N 3.45Å; M189-L209 HydrophobicContact CB-CD2 3.99Å; M189-L209 HydrophobicContact CB-CG 4.34Å; M189-L209 HydrophobicContact CG-CD2 4.36Å; M189-L209 HydrophobicContact SD-CD2 3.75Å; M189-M210 WeakPolarHBondContact CA-O 3.32Å; M189-V211 HydrophobicContact CE-CG1 3.73Å; M189-V211 HydrophobicContact CE-CG2 4.23Å; M189-V211 HydrophobicContact CG-CG2 4.3Å; M189-V211 HydrophobicContact SD-CG2 4.08Å | ||
| 190 | Y | 92.1 | Very high | 89.7 | Confident | 102 Ų | 102 | 55.8 Ų | 55.8 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.3 | 179.2 | 64.6 | -91.5 | 0 | 0 | 0 | 111.5 | M210 P212 L320 | Y190-M210 HydrophobicContact CD1-CB 4.12Å; Y190-M210 HydrophobicContact CD2-CB 4.07Å; Y190-M210 HydrophobicContact CD2-CG 4.02Å; Y190-M210 HydrophobicContact CE1-CB 3.74Å; Y190-M210 HydrophobicContact CE1-CG 4.41Å; Y190-M210 HydrophobicContact CE2-CB 3.68Å; Y190-M210 HydrophobicContact CE2-CG 3.44Å; Y190-M210 VanDerWaalsContact CE2-CG 3.44Å; Y190-M210 HydrophobicContact CG-CB 4.28Å; Y190-M210 VanDerWaalsContact CZ-CB 3.49Å; Y190-M210 PolarHBondContact N-O 2.88Å; Y190-M210 PolarHBondContact O-N 3.12Å; Y190-P212 HydrophobicContact CD1-CG 4.07Å; Y190-P212 HydrophobicContact CE1-CG 3.74Å; Y190-L320 HydrophobicContact CE1-CD2 4.4Å; Y190-L320 VanDerWaalsContact OH-CD2 3.24Å; Y190-L320 WeakPolarHBondContact OH-CD2 3.36Å |
| 191 | L | 92.7 | Very high | 90 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.2 | 177.1 | -171 | 64 | 0 | 0 | 0 | 109.7 | R163 A166 L167 Y196 A207 | R163-L191 HydrophobicContact CG-CD2 4.09Å; A166-L191 HydrophobicContact CB-CD1 3.81Å; A166-L191 HydrophobicContact CB-CD2 4.15Å; L167-L191 HydrophobicContact CD2-CB 4.19Å; L167-L191 HydrophobicContact CD2-CD2 4.42Å; L167-L191 HydrophobicContact CG-CD2 4.46Å; L191-Y196 HydrophobicContact CB-CD2 4.19Å; L191-Y196 HydrophobicContact CD2-CD2 3.98Å; L191-Y196 HydrophobicContact CG-CD2 4.17Å; L191-Y196 HydrophobicContact CG-CG 4.49Å; L191-A207 HydrophobicContact CD1-CB 3.98Å |
| 192 | S | 91 | Very high | 90.3 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | -177 | 165 | -165.3 | 0 | 0 | 0 | 0 | 107.9 | Q208 M210 | S192-Q208 CarbonylContact C-O 3.54Å; S192-Q208 PolarHBondContact N-O 3.17Å; S192-Q208 PolarHBondContact O-N 3.17Å; S192-Q208 VanDerWaalsContact O-N 3.11Å; S192-M210 VanDerWaalsContact CB-CG 3.49Å |
| 193 | G | 88.7 | Confident | 90.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 108 | 169.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L195 Y196 D197 R350 | G193-L195 PolarHBondContact O-N 3.4Å; G193-Y196 PolarHBondContact O-N 2.89Å; G193-Y196 VanDerWaalsContact O-N 3.13Å; G193-D197 PolarHBondContact O-N 3.39Å; G193-R350 VanDerWaalsContact C-CZ 3.41Å; G193-R350 PolarHBondContact O-NH2 3.21Å |
| 194 | S | 89.5 | Confident | 90.5 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -23.1 | -172.7 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | Y196 D198 L199 Q200 R350 K376 | S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-D198 PolarHBondContact O-N 2.85Å; S194-L199 CarbonylContact O-C 3.54Å; S194-L199 PolarHBondContact O-N 2.83Å; S194-Q200 PolarHBondContact O-N 3Å; S194-R350 VanDerWaalsContact CA-NH2 3.29Å; S194-R350 PolarHBondContact OG-NH2 2.78Å; S194-K376 PolarHBondContact OG-NZ 3.49Å |
| 195 | L | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -39.4 | 172 | -173.8 | 56.3 | 0 | 0 | 0 | 112.4 | Q159 A162 R163 G193 Q200 A204 A207 L313 | Q159-L195 HydrophobicContact CG-CD1 3.67Å; Q159-L195 PolarHBondContact NE2-O 3.18Å; A162-L195 HydrophobicContact CB-CD1 4.37Å; A162-L195 HydrophobicContact CB-CD2 4.12Å; R163-L195 PolarHBondContact NH2-O 3.39Å; G193-L195 PolarHBondContact O-N 3.4Å; L195-Q200 VanDerWaalsContact CD1-OE1 3.24Å; L195-A204 HydrophobicContact CD1-CB 3.89Å; L195-A207 HydrophobicContact CD2-CB 4.1Å; L195-L313 HydrophobicContact CD2-CD1 4.19Å |
| 196 | Y | 88.9 | Confident | 90.5 | Very high | 126 Ų | 126 | 43.9 Ų | 43.9 | 49% | 0.494 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -39.2 | -179.5 | -173.2 | -101.7 | 0 | 0 | 0 | 111.6 | R163 L191 G193 S194 D198 | R163-Y196 PolarHBondContact NH2-O 3.02Å; L191-Y196 HydrophobicContact CB-CD2 4.19Å; L191-Y196 HydrophobicContact CD2-CD2 3.98Å; L191-Y196 HydrophobicContact CG-CD2 4.17Å; L191-Y196 HydrophobicContact CG-CG 4.49Å; G193-Y196 PolarHBondContact O-N 2.89Å; G193-Y196 VanDerWaalsContact O-N 3.13Å; S194-Y196 VanDerWaalsContact C-N 3.32Å; Y196-D198 VanDerWaalsContact C-N 3.26Å; Y196-D198 PolarHBondContact O-N 3.2Å |
| 197 | D | 88.7 | Confident | 90.6 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 7.5 | -178.3 | -60.1 | -45.8 | 0 | 0 | 0 | 114.4 | G193 L199 R350 R358 | G193-D197 PolarHBondContact O-N 3.39Å; D197-L199 HydrophobicContact CB-CB 4.31Å; D197-L199 HydrophobicContact CB-CD1 3.95Å; D197-L199 HydrophobicContact CB-CG 4.15Å; D197-L199 PolarHBondContact O-N 3Å; D197-L199 VanDerWaalsContact O-N 3.16Å; D197-R350 IonicContact OD2-CZ 3.8Å; D197-R350 IonicContact OD2-NE 3.29Å; D197-R350 IonicContact OD2-NH2 3.2Å; D197-R350 PolarHBondContact OD2-NH2 2.96Å; D197-R358 IonicContact OD1-NH2 3.72Å |
| 198 | D | 89.6 | Confident | 90.7 | Very high | 82 Ų | 82 | 36.4 Ų | 36.4 | 44% | 0.439 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 26.8 | -172.7 | -58.3 | -32.8 | 0 | 0 | 0 | 114.2 | Q159 R163 S194 Y196 | Q159-D198 PolarHBondContact NE2-OD1 3.43Å; R163-D198 IonicContact CZ-OD1 3.72Å; R163-D198 IonicContact NH2-OD1 3.57Å; R163-D198 PolarHBondContact NH2-OD1 3.2Å; S194-D198 PolarHBondContact O-N 2.85Å; Y196-D198 VanDerWaalsContact C-N 3.26Å; Y196-D198 PolarHBondContact O-N 3.2Å |
| 199 | L | 90.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | trans | -106.2 | -0.1 | -177.3 | -77.6 | 175.9 | 0 | 0 | 0 | 113.3 | S194 D197 T354 Y369 L372 K373 K376 | S194-L199 CarbonylContact O-C 3.54Å; S194-L199 PolarHBondContact O-N 2.83Å; D197-L199 HydrophobicContact CB-CB 4.31Å; D197-L199 HydrophobicContact CB-CD1 3.95Å; D197-L199 HydrophobicContact CB-CG 4.15Å; D197-L199 PolarHBondContact O-N 3Å; D197-L199 VanDerWaalsContact O-N 3.16Å; L199-T354 HydrophobicContact CD1-CG2 3.84Å; L199-Y369 HydrophobicContact CD1-CE1 4.1Å; L199-Y369 HydrophobicContact CD2-CD1 3.33Å; L199-Y369 HydrophobicContact CD2-CE1 3.39Å; L199-Y369 HydrophobicContact CD2-CG 4.23Å; L199-Y369 HydrophobicContact CG-CD1 4.15Å; L199-Y369 HydrophobicContact CG-CE1 3.7Å; L199-L372 HydrophobicContact CD1-CD2 4.34Å; L199-L372 HydrophobicContact CD2-CD2 3.9Å; L199-K373 HydrophobicContact CD2-CG 4.14Å; L199-K376 WeakPolarHBondContact O-CE 3.36Å; L199-K376 PolarHBondContact O-NZ 2.65Å | ||
| 200 | Q | 91.8 | Very high | 91 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | trans | -74.1 | 152.4 | 175.3 | -163.5 | 160.9 | 24.1 | 0 | 0 | 110.4 | I154 S194 L195 T203 D205 H206 | I154-Q200 HydrophobicContact CD1-CB 3.77Å; I154-Q200 HydrophobicContact CD1-CG 3.77Å; S194-Q200 PolarHBondContact O-N 3Å; L195-Q200 VanDerWaalsContact CD1-OE1 3.24Å; Q200-T203 WeakPolarHBondContact CG-O 3.45Å; Q200-D205 PolarHBondContact NE2-OD1 2.97Å; Q200-H206 PolarHBondContact NE2-O 3.38Å; Q200-H206 PolarHBondContact OE1-O 3.01Å | ||
| 201 | V | 91.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | trans | -138.3 | 153.4 | -170.8 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | V152 T203 K373 K376 A377 K380 | V152-V201 HydrophobicContact CG1-CB 4.2Å; V152-V201 HydrophobicContact CG1-CG1 3.74Å; V152-V201 WeakPolarHBondContact O-CA 3.29Å; V201-T203 PolarHBondContact O-N 3.26Å; V201-K373 HydrophobicContact CG1-CB 3.81Å; V201-K373 HydrophobicContact CG1-CG 3.9Å; V201-K373 WeakPolarHBondContact CG1-O 3.41Å; V201-K376 HydrophobicContact CG1-CB 4.22Å; V201-K376 HydrophobicContact CG2-CB 3.84Å; V201-A377 HydrophobicContact CB-CB 4.13Å; V201-A377 HydrophobicContact CG2-CB 4.16Å; V201-K380 HydrophobicContact CG2-CD 4.31Å; V201-K380 PolarHBondContact O-NZ 3.33Å; V201-K380 VanDerWaalsContact O-NZ 3.14Å | ||
| 202 | V | 89.9 | Confident | 91.2 | Very high | 48 Ų | 48 | 24.6 Ų | 24.6 | 29% | 0.291 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 69.4 | -55.9 | -180 | -174 | 0 | 0 | 0 | 0 | 113.6 | R151 V152 A377 K380 L381 | R151-V202 WeakPolarHBondContact O-CA 3.32Å; V152-V202 PolarHBondContact O-N 3.02Å; V202-A377 HydrophobicContact CG2-CB 4.1Å; V202-K380 HydrophobicContact CB-CD 4.11Å; V202-K380 HydrophobicContact CG2-CD 4.06Å; V202-L381 HydrophobicContact CG1-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CD1 4.17Å; V202-L381 HydrophobicContact CG2-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CG 4.12Å |
| 203 | T | 89.5 | Confident | 91.4 | Very high | 44 Ų | 44 | 24.6 Ų | 24.6 | 27% | 0.27 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -155.7 | 153.1 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | I154 E158 Q200 V201 D205 | I154-T203 VanDerWaalsContact CD1-C 3.47Å; E158-T203 WeakPolarHBondContact OE1-CA 3.31Å; E158-T203 PolarHBondContact OE1-OG1 3.08Å; Q200-T203 WeakPolarHBondContact CG-O 3.45Å; V201-T203 PolarHBondContact O-N 3.26Å; T203-D205 VanDerWaalsContact C-N 3.28Å; T203-D205 HydrophobicContact CG2-CB 3.91Å; T203-D205 PolarHBondContact O-N 3.48Å |
| 204 | A | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -81.2 | 71.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I154 E158 A162 L195 | I154-A204 HydrophobicContact CD1-CB 4.43Å; I154-A204 HydrophobicContact CG2-CB 4.29Å; E158-A204 HydrophobicContact CG-CB 4.06Å; E158-A204 PolarHBondContact OE1-N 3.38Å; A162-A204 HydrophobicContact CB-CB 3.5Å; A162-A204 VanDerWaalsContact CB-CB 3.5Å; L195-A204 HydrophobicContact CD1-CB 3.89Å | ||
| 205 | D | 90.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 27.8 Ų | 27.8 | 24% | 0.235 | 14% | 0.142 | C | C | . | . | trans | -102.4 | -10.7 | -172 | 58.4 | -6.7 | 0 | 0 | 0 | 115.1 | Q200 T203 Y314 K380 | Q200-D205 PolarHBondContact NE2-OD1 2.97Å; T203-D205 VanDerWaalsContact C-N 3.28Å; T203-D205 HydrophobicContact CG2-CB 3.91Å; T203-D205 PolarHBondContact O-N 3.48Å; D205-Y314 WeakPolarHBondContact O-CD2 3.43Å; D205-Y314 PolarHBondContact O-N 2.69Å; D205-K380 IonicContact OD1-NZ 2.75Å; D205-K380 PolarHBondContact OD1-NZ 2.86Å; D205-K380 VanDerWaalsContact OD2-CE 3.29Å; D205-K380 WeakPolarHBondContact OD2-CE 3.41Å; D205-K380 IonicContact OD2-NZ 3.21Å; D205-K380 PolarHBondContact OD2-NZ 3Å | ||
| 206 | H | 91.9 | Very high | 92 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 27% | 0.269 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 133 | -170.7 | -167.6 | 79.1 | 0 | 0 | 0 | 113.6 | Q200 Y314 D316 | Q200-H206 PolarHBondContact NE2-O 3.38Å; Q200-H206 PolarHBondContact OE1-O 3.01Å; H206-Y314 CarbonylContact C-O 3.17Å; H206-Y314 VanDerWaalsContact CA-O 3.32Å; H206-Y314 WeakPolarHBondContact CA-O 3.39Å; H206-D316 IonicContact CE1-OD1 3.52Å; H206-D316 IonicContact CE1-OD2 3.32Å; H206-D316 PolarHBondContact CE1-OD2 3.44Å; H206-D316 IonicContact NE2-OD2 3.9Å; H206-D316 PolarHBondContact NE2-OD2 3.45Å |
| 207 | A | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A166 L191 L195 L313 Y314 V315 D316 | A166-A207 HydrophobicContact CB-CB 4.16Å; L191-A207 HydrophobicContact CD1-CB 3.98Å; L195-A207 HydrophobicContact CD2-CB 4.1Å; A207-L313 HydrophobicContact CB-CD1 3.99Å; A207-L313 HydrophobicContact CB-CD2 4.49Å; A207-L313 HydrophobicContact CB-CG 4.48Å; A207-Y314 PolarHBondContact N-O 3.06Å; A207-V315 HydrophobicContact CB-CG2 4.32Å; A207-V315 WeakPolarHBondContact O-CA 3.24Å; A207-D316 PolarHBondContact O-N 2.95Å |
| 208 | Q | 93.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.9 | 179.1 | -65.8 | 176.1 | -23.1 | 0 | 0 | 109.5 | S192 D316 L318 | S192-Q208 CarbonylContact C-O 3.54Å; S192-Q208 PolarHBondContact N-O 3.17Å; S192-Q208 PolarHBondContact O-N 3.17Å; S192-Q208 VanDerWaalsContact O-N 3.11Å; Q208-D316 CarbonylContact C-O 3.6Å; Q208-D316 WeakPolarHBondContact CA-O 3.4Å; Q208-D316 HydrophobicContact CG-CB 4.48Å; Q208-L318 HydrophobicContact CB-CD1 4.14Å; Q208-L318 HydrophobicContact CG-CD1 4.15Å |
| 209 | L | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.7 | 171.9 | -156.4 | 83 | 0 | 0 | 0 | 110.1 | C170 M189 V315 D316 F317 L318 | C170-L209 HydrophobicContact CB-CD1 3.5Å; C170-L209 HydrophobicContact CB-CD2 4.37Å; M189-L209 HydrophobicContact CB-CD2 3.99Å; M189-L209 HydrophobicContact CB-CG 4.34Å; M189-L209 HydrophobicContact CG-CD2 4.36Å; M189-L209 HydrophobicContact SD-CD2 3.75Å; L209-V315 HydrophobicContact CB-CG1 4.29Å; L209-D316 PolarHBondContact N-O 3.25Å; L209-F317 HydrophobicContact CB-CD1 4Å; L209-F317 HydrophobicContact CB-CE1 4.02Å; L209-F317 HydrophobicContact CD2-CD1 3.75Å; L209-F317 HydrophobicContact CD2-CE1 3.42Å; L209-F317 VanDerWaalsContact CD2-CE1 3.42Å; L209-F317 HydrophobicContact CD2-CZ 4.49Å; L209-F317 HydrophobicContact CG-CD1 4.48Å; L209-F317 HydrophobicContact CG-CE1 4.32Å; L209-L318 PolarHBondContact O-N 3.4Å |
| 210 | M | 94.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 128.9 | 174.7 | -54.7 | -53.5 | -62.9 | 0 | 0 | 109 | M189 Y190 S192 P212 L318 L320 I330 | M189-M210 WeakPolarHBondContact CA-O 3.32Å; Y190-M210 HydrophobicContact CD1-CB 4.12Å; Y190-M210 HydrophobicContact CD2-CB 4.07Å; Y190-M210 HydrophobicContact CD2-CG 4.02Å; Y190-M210 HydrophobicContact CE1-CB 3.74Å; Y190-M210 HydrophobicContact CE1-CG 4.41Å; Y190-M210 HydrophobicContact CE2-CB 3.68Å; Y190-M210 HydrophobicContact CE2-CG 3.44Å; Y190-M210 VanDerWaalsContact CE2-CG 3.44Å; Y190-M210 HydrophobicContact CG-CB 4.28Å; Y190-M210 VanDerWaalsContact CZ-CB 3.49Å; Y190-M210 PolarHBondContact N-O 2.88Å; Y190-M210 PolarHBondContact O-N 3.12Å; S192-M210 VanDerWaalsContact CB-CG 3.49Å; M210-P212 WeakPolarHBondContact O-CD 3.4Å; M210-L318 HydrophobicContact CE-CB 4.25Å; M210-L318 HydrophobicContact SD-CB 4.07Å; M210-L318 HydrophobicContact SD-CD1 4.17Å; M210-L320 HydrophobicContact CB-CD2 4.48Å; M210-L320 HydrophobicContact CE-CB 3.96Å; M210-L320 HydrophobicContact CE-CD1 4.08Å; M210-L320 HydrophobicContact CE-CD2 3.94Å; M210-L320 HydrophobicContact CE-CG 4.21Å; M210-I330 HydrophobicContact CE-CG2 3.79Å |
| 211 | V | 93.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 90 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | L186 M189 L213 F271 F317 L318 P319 L320 | L186-V211 HydrophobicContact CD2-CG1 4.21Å; M189-V211 HydrophobicContact CE-CG1 3.73Å; M189-V211 HydrophobicContact CE-CG2 4.23Å; M189-V211 HydrophobicContact CG-CG2 4.3Å; M189-V211 HydrophobicContact SD-CG2 4.08Å; V211-L213 HydrophobicContact CG1-CD2 4.04Å; V211-L213 WeakPolarHBondContact O-CD2 3.37Å; V211-L213 PolarHBondContact O-N 3.22Å; V211-F271 HydrophobicContact CG1-CE1 3.89Å; V211-F271 HydrophobicContact CG1-CZ 3.76Å; V211-F317 HydrophobicContact CG2-CD1 4.29Å; V211-L318 PolarHBondContact N-O 3.39Å; V211-P319 WeakPolarHBondContact O-CA 3.5Å; V211-L320 PolarHBondContact O-N 2.89Å |
| 212 | P | 94.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 7% | 0.071 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 117.2 | -171.8 | -8.5 | 26.4 | 0 | 0 | 0 | 110.4 | R187 E188 Y190 M210 L320 | R187-P212 HydrophobicContact CB-CB 4.05Å; R187-P212 HydrophobicContact CB-CG 4.32Å; R187-P212 HydrophobicContact CG-CB 4.45Å; R187-P212 PolarHBondContact N-O 3.29Å; E188-P212 WeakPolarHBondContact O-CD 3.39Å; E188-P212 WeakPolarHBondContact O-CG 3.24Å; Y190-P212 HydrophobicContact CD1-CG 4.07Å; Y190-P212 HydrophobicContact CE1-CG 3.74Å; M210-P212 WeakPolarHBondContact O-CD 3.4Å; P212-L320 CarbonylContact C-O 3.59Å; P212-L320 WeakPolarHBondContact CA-O 3.21Å; P212-L320 HydrophobicContact CB-CD2 4.43Å |
| 213 | L | 94.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 139.8 | 177.7 | -38.3 | -179.6 | 0 | 0 | 0 | 109.2 | L186 V211 W253 V267 F271 P319 L320 L321 W345 | L186-L213 HydrophobicContact CD2-CD2 3.34Å; V211-L213 HydrophobicContact CG1-CD2 4.04Å; V211-L213 WeakPolarHBondContact O-CD2 3.37Å; V211-L213 PolarHBondContact O-N 3.22Å; L213-W253 HydrophobicContact CB-CH2 4.1Å; L213-W253 HydrophobicContact CB-CZ2 3.66Å; L213-W253 HydrophobicContact CD1-CH2 3.91Å; L213-W253 HydrophobicContact CD1-CZ2 4.22Å; L213-W253 HydrophobicContact CD1-CZ3 4.14Å; L213-W253 HydrophobicContact CD2-CH2 3.78Å; L213-W253 HydrophobicContact CD2-CZ2 4.15Å; L213-W253 HydrophobicContact CG-CH2 4.15Å; L213-W253 HydrophobicContact CG-CZ2 4.22Å; L213-V267 HydrophobicContact CD1-CG1 3.89Å; L213-F271 HydrophobicContact CD2-CE2 3.86Å; L213-F271 HydrophobicContact CD2-CZ 3.69Å; L213-P319 HydrophobicContact CD1-CB 4.06Å; L213-P319 HydrophobicContact CD2-CB 4.44Å; L213-P319 HydrophobicContact CG-CB 4.39Å; L213-L320 PolarHBondContact N-O 2.99Å; L213-L321 HydrophobicContact CB-CD2 3.76Å; L213-L321 HydrophobicContact CD1-CD2 3.99Å; L213-L321 HydrophobicContact CG-CD2 4.23Å; L213-W345 HydrophobicContact CD1-CH2 4.18Å |
| 214 | V | 94.4 | Very high | 93 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 30% | 0.297 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -97.3 | 119 | 176.4 | -178 | 0 | 0 | 0 | 0 | 109 | P185 R187 W253 | P185-V214 HydrophobicContact CB-CB 4.14Å; P185-V214 PolarHBondContact O-N 3.37Å; R187-V214 HydrophobicContact CG-CG2 3.44Å; R187-V214 VanDerWaalsContact CG-CG2 3.44Å; V214-W253 PolarHBondContact O-NE1 3.48Å |
| 215 | L | 93.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -92.5 | 139.4 | 169.3 | -62 | -175.6 | 0 | 0 | 0 | 110 | W220 V238 W253 L262 L321 M323 | L215-W220 HydrophobicContact CB-CB 4.44Å; L215-W220 HydrophobicContact CB-CG 4.2Å; L215-W220 HydrophobicContact CD1-CB 3.99Å; L215-W220 HydrophobicContact CD1-CG 4.1Å; L215-W220 HydrophobicContact CD2-CD2 4.46Å; L215-W220 HydrophobicContact CD2-CG 4.3Å; L215-W220 HydrophobicContact CG-CG 4.43Å; L215-V238 HydrophobicContact CD1-CG1 4.03Å; L215-W253 HydrophobicContact CD2-CG 4.08Å; L215-L262 HydrophobicContact CD2-CD2 3.88Å; L215-L321 HydrophobicContact CD1-CD1 4.14Å; L215-L321 HydrophobicContact CD1-CD2 3.88Å; L215-L321 HydrophobicContact CD1-CG 4.47Å; L215-L321 HydrophobicContact CD2-CD2 3.9Å; L215-L321 HydrophobicContact CG-CD2 3.74Å; L215-M323 HydrophobicContact CD1-SD 4.32Å |
| 216 | E | 93.1 | Very high | 93.3 | Very high | 57 Ų | 57 | 34.7 Ų | 34.7 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 133.8 | 175.5 | -54.5 | 87.8 | 161.5 | 0 | 0 | 110.4 | L219 W220 S251 Y252 | E216-L219 HydrophobicContact CB-CB 4.23Å; E216-L219 HydrophobicContact CB-CD1 3.78Å; E216-L219 HydrophobicContact CB-CG 3.96Å; E216-L219 HydrophobicContact CG-CD1 4.18Å; E216-L219 PolarHBondContact O-N 2.94Å; E216-W220 PolarHBondContact OE2-NE1 3.29Å; E216-S251 VanDerWaalsContact OE1-CA 3.26Å; E216-S251 WeakPolarHBondContact OE1-CA 3.3Å; E216-S251 WeakPolarHBondContact OE1-CB 3.27Å; E216-S251 PolarHBondContact OE1-OG 3.49Å; E216-S251 WeakPolarHBondContact OE2-CB 3.41Å; E216-S251 PolarHBondContact OE2-OG 3.46Å; E216-Y252 PolarHBondContact OE1-N 3.19Å |
| 217 | K | 86.3 | Confident | 93.4 | Very high | 159 Ų | 159 | 37.8 Ų | 37.8 | 69% | 0.691 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 142.3 | 176.3 | -62.7 | -172.3 | 176.6 | -172.9 | 0 | 110 | L219 | K217-L219 PolarHBondContact O-N 2.97Å; K217-L219 VanDerWaalsContact O-N 3.13Å |
| 218 | N | 87.8 | Confident | 93.5 | Very high | 116 Ų | 116 | 38.9 Ų | 38.9 | 62% | 0.62 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | -3.3 | -180 | -45.8 | -43.9 | 0 | 0 | 0 | 116.3 | N242 | N218-N242 PolarHBondContact O-ND2 3.08Š|
| 219 | L | 93.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -17.6 | 175.1 | -62.9 | -164.7 | 0 | 0 | 0 | 112.9 | E216 K217 R240 E241 F246 | E216-L219 HydrophobicContact CB-CB 4.23Å; E216-L219 HydrophobicContact CB-CD1 3.78Å; E216-L219 HydrophobicContact CB-CG 3.96Å; E216-L219 HydrophobicContact CG-CD1 4.18Å; E216-L219 PolarHBondContact O-N 2.94Å; K217-L219 PolarHBondContact O-N 2.97Å; K217-L219 VanDerWaalsContact O-N 3.13Å; L219-R240 WeakPolarHBondContact O-CA 3.43Å; L219-R240 WeakPolarHBondContact O-CD 3.48Å; L219-R240 PolarHBondContact O-NH1 3.01Å; L219-R240 VanDerWaalsContact O-NH1 3.09Å; L219-E241 PolarHBondContact O-N 3.35Å; L219-F246 HydrophobicContact CD2-CB 3.79Å; L219-F246 HydrophobicContact CD2-CD1 4.43Å; L219-F246 HydrophobicContact CD2-CD2 3.57Å; L219-F246 HydrophobicContact CD2-CE2 4.26Å; L219-F246 HydrophobicContact CD2-CG 3.67Å |
| 220 | W | 94.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.8 | -172.6 | -54.5 | 96.4 | 0 | 0 | 0 | 111.3 | L215 E216 V238 R239 R240 S251 W253 M257 L262 | L215-W220 HydrophobicContact CB-CB 4.44Å; L215-W220 HydrophobicContact CB-CG 4.2Å; L215-W220 HydrophobicContact CD1-CB 3.99Å; L215-W220 HydrophobicContact CD1-CG 4.1Å; L215-W220 HydrophobicContact CD2-CD2 4.46Å; L215-W220 HydrophobicContact CD2-CG 4.3Å; L215-W220 HydrophobicContact CG-CG 4.43Å; E216-W220 PolarHBondContact OE2-NE1 3.29Å; W220-V238 HydrophobicContact CB-CG1 4.33Å; W220-V238 HydrophobicContact CE3-CG1 4.02Å; W220-R239 CarbonylContact C-O 3.54Å; W220-R239 VanDerWaalsContact CA-O 3.3Å; W220-R239 WeakPolarHBondContact CA-O 3.36Å; W220-R240 HydrophobicContact CE3-CB 4.15Å; W220-R240 HydrophobicContact CH2-CB 4.36Å; W220-R240 VanDerWaalsContact CH2-CD 3.46Å; W220-R240 HydrophobicContact CH2-CG 4.43Å; W220-R240 HydrophobicContact CZ3-CB 3.79Å; W220-R240 HydrophobicContact CZ3-CG 4.3Å; W220-S251 WeakPolarHBondContact CZ2-OG 3.48Å; W220-S251 PolarHBondContact NE1-OG 3.09Å; W220-W253 HydrophobicContact CH2-CB 4.11Å; W220-W253 HydrophobicContact CZ2-CB 3.63Å; W220-M257 HydrophobicContact CH2-CG 3.65Å; W220-M257 HydrophobicContact CH2-SD 3.66Å; W220-M257 HydrophobicContact CZ3-CG 4.09Å; W220-M257 HydrophobicContact CZ3-SD 4.05Å; W220-L262 HydrophobicContact CE3-CB 4.2Å; W220-L262 HydrophobicContact CH2-CB 4.25Å; W220-L262 HydrophobicContact CH2-CD1 4.41Å; W220-L262 HydrophobicContact CZ3-CB 3.67Å |
| 221 | S | 94.7 | Very high | 93.2 | Very high | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.7 | 171.1 | 70.2 | 0 | 0 | 0 | 0 | 110.4 | V238 R239 E241 | S221-V238 CarbonylContact O-C 3.56Å; S221-V238 VanDerWaalsContact O-CA 3.32Å; S221-V238 WeakPolarHBondContact O-CA 3.39Å; S221-R239 PolarHBondContact N-O 3.43Å; S221-R239 PolarHBondContact O-N 2.86Å; S221-E241 WeakPolarHBondContact CB-OE1 3.3Å; S221-E241 PolarHBondContact OG-OE1 2.95Å |
| 222 | S | 94.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 138.7 | 172.7 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | L237 | S222-L237 CarbonylContact C-O 3.6Å; S222-L237 WeakPolarHBondContact CA-O 3.43Å |
| 223 | I | 95.5 | Very high | 93 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 18% | 0.179 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.9 | 177.1 | -56.7 | 172.3 | 0 | 0 | 0 | 107.6 | T228 W236 L237 R239 Y261 | I223-T228 HydrophobicContact CG2-CG2 3.9Å; I223-W236 VanDerWaalsContact C-CE3 3.45Å; I223-W236 WeakPolarHBondContact O-CA 3.44Å; I223-L237 HydrophobicContact CB-CB 4.37Å; I223-L237 PolarHBondContact N-O 3.35Å; I223-L237 PolarHBondContact O-N 2.97Å; I223-R239 HydrophobicContact CD1-CB 3.97Å; I223-Y261 HydrophobicContact CD1-CE1 4.36Å |
| 224 | P | 95.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 138.4 | 177 | -19.2 | 28.9 | 0 | 0 | 0 | 111.1 | E226 D227 T228 W236 | P224-E226 HydrophobicContact CB-CG 4.02Å; P224-E226 WeakPolarHBondContact CB-OE2 3.11Å; P224-E226 PolarHBondContact O-N 2.88Å; P224-D227 WeakPolarHBondContact CG-OD2 3.38Å; P224-D227 PolarHBondContact O-N 3.02Å; P224-T228 WeakPolarHBondContact O-CG2 3.3Å; P224-W236 HydrophobicContact CB-CE3 4.27Å; P224-W236 HydrophobicContact CB-CH2 4.21Å; P224-W236 HydrophobicContact CB-CZ2 4.42Å; P224-W236 HydrophobicContact CB-CZ3 4.12Å; P224-W236 HydrophobicContact CG-CE3 4.07Å; P224-W236 HydrophobicContact CG-CH2 3.69Å; P224-W236 HydrophobicContact CG-CZ2 4.36Å; P224-W236 HydrophobicContact CG-CZ3 3.51Å |
| 225 | G | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63.2 | -29.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D227 T228 N231 I232 F235 | G225-D227 VanDerWaalsContact C-N 3.27Å; G225-D227 PolarHBondContact O-N 3.42Å; G225-T228 PolarHBondContact O-N 2.89Å; G225-T228 PolarHBondContact O-OG1 3.44Å; G225-N231 WeakPolarHBondContact O-CA 3.31Å; G225-N231 PolarHBondContact O-N 3.39Å; G225-I232 CarbonylContact C-O 3.58Å; G225-I232 WeakPolarHBondContact CA-O 3.26Å; G225-I232 PolarHBondContact O-N 2.9Å; G225-F235 WeakPolarHBondContact CA-O 3.26Å; G225-F235 PolarHBondContact N-O 3.47Å |
| 226 | E | 93.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -64.1 | -27.9 | 172 | 60.7 | -99.6 | -128.7 | 0 | 0 | 114 | P224 T228 P233 | P224-E226 HydrophobicContact CB-CG 4.02Å; P224-E226 WeakPolarHBondContact CB-OE2 3.11Å; P224-E226 PolarHBondContact O-N 2.88Å; E226-T228 VanDerWaalsContact C-N 3.27Å; E226-P233 HydrophobicContact CB-CG 4.22Å |
| 227 | D | 95.3 | Very high | 93.2 | Very high | 123 Ų | 123 | 50.5 Ų | 50.5 | 66% | 0.658 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -87.9 | -0.8 | 179.9 | -63.3 | -24.6 | 0 | 0 | 0 | 112 | P224 G225 | P224-D227 WeakPolarHBondContact CG-OD2 3.38Å; P224-D227 PolarHBondContact O-N 3.02Å; G225-D227 VanDerWaalsContact C-N 3.27Å; G225-D227 PolarHBondContact O-N 3.42Å |
| 228 | T | 93.5 | Very high | 93.7 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -100.5 | 168.1 | 176.2 | 76.3 | 0 | 0 | 0 | 0 | 111.2 | I223 P224 G225 E226 M230 N231 L237 | I223-T228 HydrophobicContact CG2-CG2 3.9Å; P224-T228 WeakPolarHBondContact O-CG2 3.3Å; G225-T228 PolarHBondContact O-N 2.89Å; G225-T228 PolarHBondContact O-OG1 3.44Å; E226-T228 VanDerWaalsContact C-N 3.27Å; T228-M230 HydrophobicContact CG2-CE 4.31Å; T228-M230 PolarHBondContact O-N 3.1Å; T228-M230 VanDerWaalsContact O-N 3.11Å; T228-M230 WeakPolarHBondContact OG1-CE 3.44Å; T228-M230 PolarHBondContact OG1-N 3.06Å; T228-N231 PolarHBondContact O-N 3.33Å; T228-L237 HydrophobicContact CG2-CD1 3.73Å; T228-L237 HydrophobicContact CG2-CG 4.24Å |
| 229 | I | 91.7 | Very high | 94 | Very high | 180 Ų | 180 | 42.2 Ų | 42.2 | 92% | 0.923 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.1 | 173.7 | -166.5 | 148.3 | 0 | 0 | 0 | 114 | N231 | I229-N231 VanDerWaalsContact C-N 3.32Š|
| 230 | M | 89.8 | Confident | 94.2 | Very high | 45 Ų | 45 | 42 Ų | 42 | 22% | 0.222 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -28.4 | 176.7 | -62.7 | 171.6 | -74.2 | 0 | 0 | 111.5 | T228 I232 L237 H341 L344 | T228-M230 HydrophobicContact CG2-CE 4.31Å; T228-M230 PolarHBondContact O-N 3.1Å; T228-M230 VanDerWaalsContact O-N 3.11Å; T228-M230 WeakPolarHBondContact OG1-CE 3.44Å; T228-M230 PolarHBondContact OG1-N 3.06Å; M230-I232 HydrophobicContact CB-CD1 4.29Å; M230-I232 HydrophobicContact CB-CG1 4.07Å; M230-I232 VanDerWaalsContact O-CG1 3.23Å; M230-I232 WeakPolarHBondContact O-CG1 3.37Å; M230-I232 PolarHBondContact O-N 3.32Å; M230-L237 HydrophobicContact CE-CD1 3.68Å; M230-L237 HydrophobicContact CE-CD2 3.9Å; M230-L237 HydrophobicContact CE-CG 3.78Å; M230-H341 HydrophobicContact SD-CB 4.22Å; M230-H341 PolarHBondContact SD-ND1 3.4Å; M230-L344 HydrophobicContact CE-CD1 4.39Å; M230-L344 HydrophobicContact CE-CD2 3.38Å; M230-L344 HydrophobicContact CE-CG 3.95Å; M230-L344 HydrophobicContact SD-CD1 3.77Å; M230-L344 HydrophobicContact SD-CD2 3.85Å; M230-L344 HydrophobicContact SD-CG 3.71Å |
| 231 | N | 92.4 | Very high | 94.2 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 59% | 0.594 | 22% | 0.224 | S | C | * | . | trans | 49.8 | 49.9 | 179.6 | -170 | 25.6 | 0 | 0 | 0 | 113.4 | G225 T228 I229 P233 | G225-N231 WeakPolarHBondContact O-CA 3.31Å; G225-N231 PolarHBondContact O-N 3.39Å; T228-N231 PolarHBondContact O-N 3.33Å; I229-N231 VanDerWaalsContact C-N 3.32Å; N231-P233 WeakPolarHBondContact O-CD 3.42Å | ||
| 232 | I | 92 | Very high | 94 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | trans | -116.3 | 97.6 | -178.2 | -47.9 | -175.2 | 0 | 0 | 0 | 110 | G225 M230 F235 L344 | G225-I232 CarbonylContact C-O 3.58Å; G225-I232 WeakPolarHBondContact CA-O 3.26Å; G225-I232 PolarHBondContact O-N 2.9Å; M230-I232 HydrophobicContact CB-CD1 4.29Å; M230-I232 HydrophobicContact CB-CG1 4.07Å; M230-I232 VanDerWaalsContact O-CG1 3.23Å; M230-I232 WeakPolarHBondContact O-CG1 3.37Å; M230-I232 PolarHBondContact O-N 3.32Å; I232-F235 HydrophobicContact CB-CD2 4.41Å; I232-F235 HydrophobicContact CG2-CB 4.5Å; I232-F235 HydrophobicContact CG2-CD2 3.47Å; I232-F235 VanDerWaalsContact CG2-CD2 3.47Å; I232-F235 HydrophobicContact CG2-CE2 3.98Å; I232-F235 HydrophobicContact CG2-CG 4.25Å; I232-F235 PolarHBondContact O-N 3.31Å; I232-L344 HydrophobicContact CD1-CD1 3.92Å | ||
| 233 | P | 93.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 144.3 | 176.1 | -21.6 | 31.2 | 0 | 0 | 0 | 112.7 | E226 N231 F235 K439 V440 | E226-P233 HydrophobicContact CB-CG 4.22Å; N231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-F235 PolarHBondContact O-N 3.29Å; P233-K439 HydrophobicContact CB-CB 4.37Å; P233-V440 HydrophobicContact CB-CG2 4.34Å |
| 234 | G | 93 | Very high | 93.6 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 1.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q347 | G234-Q347 VanDerWaalsContact O-CB 3.3Å; G234-Q347 WeakPolarHBondContact O-CB 3.46Å; G234-Q347 PolarHBondContact O-N 2.69Å |
| 235 | F | 94.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 158.3 | 166.5 | -68.9 | -98.6 | 0 | 0 | 0 | 109.9 | G225 I232 P233 H334 L344 W345 R346 | G225-F235 WeakPolarHBondContact CA-O 3.26Å; G225-F235 PolarHBondContact N-O 3.47Å; I232-F235 HydrophobicContact CB-CD2 4.41Å; I232-F235 HydrophobicContact CG2-CB 4.5Å; I232-F235 HydrophobicContact CG2-CD2 3.47Å; I232-F235 VanDerWaalsContact CG2-CD2 3.47Å; I232-F235 HydrophobicContact CG2-CE2 3.98Å; I232-F235 HydrophobicContact CG2-CG 4.25Å; I232-F235 PolarHBondContact O-N 3.31Å; P233-F235 PolarHBondContact O-N 3.29Å; F235-H334 HydrophobicContact CE1-CB 3.91Å; F235-H334 AromaticContact CE2-CD2 3.54Å; F235-H334 HydrophobicContact CZ-CB 4Å; F235-H334 AromaticContact CZ-CD2 3.36Å; F235-H334 WeakPolarHBondContact CZ-CD2 3.17Å; F235-H334 AromaticContact CZ-CG 3.98Å; F235-L344 HydrophobicContact CB-CB 4.24Å; F235-L344 HydrophobicContact CB-CD1 4.03Å; F235-L344 HydrophobicContact CB-CD2 4.03Å; F235-L344 HydrophobicContact CB-CG 4.35Å; F235-L344 HydrophobicContact CD1-CB 3.99Å; F235-L344 HydrophobicContact CD1-CD1 4.42Å; F235-L344 HydrophobicContact CG-CB 4.5Å; F235-L344 HydrophobicContact CG-CD1 4.33Å; F235-W345 CarbonylContact C-O 3.39Å; F235-W345 WeakPolarHBondContact CA-O 3.48Å; F235-R346 HydrophobicContact CD1-CB 4.11Å; F235-R346 HydrophobicContact CE1-CB 3.91Å; F235-R346 HydrophobicContact CE1-CG 4.24Å; F235-R346 HydrophobicContact CZ-CG 4.49Å; F235-R346 VanDerWaalsContact CZ-CZ 3.45Å |
| 236 | W | 96.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 145.3 | -172.1 | -67.7 | 75 | 0 | 0 | 0 | 110.5 | I223 P224 T327 L329 W345 | I223-W236 VanDerWaalsContact C-CE3 3.45Å; I223-W236 WeakPolarHBondContact O-CA 3.44Å; P224-W236 HydrophobicContact CB-CE3 4.27Å; P224-W236 HydrophobicContact CB-CH2 4.21Å; P224-W236 HydrophobicContact CB-CZ2 4.42Å; P224-W236 HydrophobicContact CB-CZ3 4.12Å; P224-W236 HydrophobicContact CG-CE3 4.07Å; P224-W236 HydrophobicContact CG-CH2 3.69Å; P224-W236 HydrophobicContact CG-CZ2 4.36Å; P224-W236 HydrophobicContact CG-CZ3 3.51Å; W236-T327 HydrophobicContact CZ2-CG2 4.08Å; W236-L329 HydrophobicContact CB-CD1 3.88Å; W236-L329 HydrophobicContact CB-CD2 3.75Å; W236-L329 HydrophobicContact CB-CG 4.48Å; W236-L329 HydrophobicContact CD2-CD2 4.21Å; W236-L329 HydrophobicContact CG-CD1 4.33Å; W236-L329 HydrophobicContact CG-CD2 3.51Å; W236-W345 PolarHBondContact N-O 3.38Å; W236-W345 PolarHBondContact O-N 3.19Å |
| 237 | L | 95.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 144.8 | 163.7 | -72.7 | -179.9 | 0 | 0 | 0 | 109.4 | S222 I223 T228 M230 Y261 N343 L344 | S222-L237 CarbonylContact C-O 3.6Å; S222-L237 WeakPolarHBondContact CA-O 3.43Å; I223-L237 HydrophobicContact CB-CB 4.37Å; I223-L237 PolarHBondContact N-O 3.35Å; I223-L237 PolarHBondContact O-N 2.97Å; T228-L237 HydrophobicContact CG2-CD1 3.73Å; T228-L237 HydrophobicContact CG2-CG 4.24Å; M230-L237 HydrophobicContact CE-CD1 3.68Å; M230-L237 HydrophobicContact CE-CD2 3.9Å; M230-L237 HydrophobicContact CE-CG 3.78Å; L237-Y261 HydrophobicContact CB-CD1 3.83Å; L237-Y261 HydrophobicContact CB-CE1 4.03Å; L237-Y261 HydrophobicContact CD1-CD1 4.02Å; L237-Y261 HydrophobicContact CD1-CE1 3.69Å; L237-Y261 HydrophobicContact CD2-CD1 4.33Å; L237-Y261 HydrophobicContact CD2-CG 4.45Å; L237-Y261 HydrophobicContact CG-CD1 4.31Å; L237-Y261 HydrophobicContact CG-CE1 4.4Å; L237-N343 HydrophobicContact CD2-CB 3.65Å; L237-N343 WeakPolarHBondContact CD2-O 3.42Å; L237-L344 HydrophobicContact CD2-CD2 3.98Å; L237-L344 HydrophobicContact CG-CD2 4.15Å |
| 238 | V | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 104.8 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | L215 W220 S221 Y261 L262 L321 L329 W345 | L215-V238 HydrophobicContact CD1-CG1 4.03Å; W220-V238 HydrophobicContact CB-CG1 4.33Å; W220-V238 HydrophobicContact CE3-CG1 4.02Å; S221-V238 CarbonylContact O-C 3.56Å; S221-V238 VanDerWaalsContact O-CA 3.32Å; S221-V238 WeakPolarHBondContact O-CA 3.39Å; V238-Y261 CarbonylContact O-C 3.41Å; V238-Y261 WeakPolarHBondContact O-CA 3.49Å; V238-L262 HydrophobicContact CB-CB 4.07Å; V238-L262 HydrophobicContact CG1-CB 3.99Å; V238-L262 HydrophobicContact CG1-CD2 4.23Å; V238-L262 PolarHBondContact O-N 3.4Å; V238-L321 HydrophobicContact CG2-CD1 3.87Å; V238-L329 HydrophobicContact CG2-CD1 3.87Å; V238-W345 HydrophobicContact CG2-CG 4.11Å |
| 239 | R | 95.6 | Very high | 92.6 | Very high | 101 Ų | 101 | 73.9 Ų | 73.9 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.3 | -173.3 | -172.7 | 174.1 | 69.8 | -176.3 | 2.9 | 110.8 | W220 S221 I223 E241 Y261 | W220-R239 CarbonylContact C-O 3.54Å; W220-R239 VanDerWaalsContact CA-O 3.3Å; W220-R239 WeakPolarHBondContact CA-O 3.36Å; S221-R239 PolarHBondContact N-O 3.43Å; S221-R239 PolarHBondContact O-N 2.86Å; I223-R239 HydrophobicContact CD1-CB 3.97Å; R239-E241 IonicContact CZ-OE1 3.12Å; R239-E241 IonicContact CZ-OE2 3.97Å; R239-E241 IonicContact NE-OE1 2.73Å; R239-E241 PolarHBondContact NE-OE1 3.16Å; R239-E241 IonicContact NE-OE2 3.78Å; R239-E241 IonicContact NH2-OE1 2.69Å; R239-E241 PolarHBondContact NH2-OE1 3.23Å; R239-E241 IonicContact NH2-OE2 3.45Å; R239-E241 PolarHBondContact NH2-OE2 3.46Å; R239-Y261 HydrophobicContact CB-CD1 3.86Å; R239-Y261 HydrophobicContact CB-CE1 3.8Å; R239-Y261 HydrophobicContact CG-CD1 4.21Å; R239-Y261 HydrophobicContact CG-CE1 3.9Å |
| 240 | R | 95.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 67.8 Ų | 67.8 | 4% | 0.038 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122 | 170.5 | -174 | 74 | 177.8 | 67.8 | 18.1 | 110 | L219 W220 L243 F246 D254 M257 G260 | L219-R240 WeakPolarHBondContact O-CA 3.43Å; L219-R240 WeakPolarHBondContact O-CD 3.48Å; L219-R240 PolarHBondContact O-NH1 3.01Å; L219-R240 VanDerWaalsContact O-NH1 3.09Å; W220-R240 HydrophobicContact CE3-CB 4.15Å; W220-R240 HydrophobicContact CH2-CB 4.36Å; W220-R240 VanDerWaalsContact CH2-CD 3.46Å; W220-R240 HydrophobicContact CH2-CG 4.43Å; W220-R240 HydrophobicContact CZ3-CB 3.79Å; W220-R240 HydrophobicContact CZ3-CG 4.3Å; R240-L243 HydrophobicContact CG-CD1 4.36Å; R240-L243 HydrophobicContact CG-CD2 3.78Å; R240-L243 HydrophobicContact CG-CG 3.95Å; R240-F246 PolarHBondContact NH2-O 3.46Å; R240-D254 WeakPolarHBondContact CD-OD1 3.44Å; R240-D254 IonicContact CZ-OD1 3.86Å; R240-D254 IonicContact NE-OD1 2.82Å; R240-D254 PolarHBondContact NE-OD1 3.01Å; R240-M257 HydrophobicContact CB-SD 3.57Å; R240-M257 VanDerWaalsContact CB-SD 3.57Å; R240-M257 HydrophobicContact CG-CE 4.46Å; R240-M257 HydrophobicContact CG-SD 3.5Å; R240-M257 VanDerWaalsContact CG-SD 3.5Å; R240-G260 WeakPolarHBondContact CB-O 3.36Å; R240-G260 PolarHBondContact N-O 3.22Å |
| 241 | E | 94.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 66 Ų | 66 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 164.7 | -178.2 | -63.7 | -61 | 165.6 | 0 | 0 | 113 | L219 S221 R239 L243 | L219-E241 PolarHBondContact O-N 3.35Å; S221-E241 WeakPolarHBondContact CB-OE1 3.3Å; S221-E241 PolarHBondContact OG-OE1 2.95Å; R239-E241 IonicContact CZ-OE1 3.12Å; R239-E241 IonicContact CZ-OE2 3.97Å; R239-E241 IonicContact NE-OE1 2.73Å; R239-E241 PolarHBondContact NE-OE1 3.16Å; R239-E241 IonicContact NE-OE2 3.78Å; R239-E241 IonicContact NH2-OE1 2.69Å; R239-E241 PolarHBondContact NH2-OE1 3.23Å; R239-E241 IonicContact NH2-OE2 3.45Å; R239-E241 PolarHBondContact NH2-OE2 3.46Å; E241-L243 PolarHBondContact O-N 3.17Å |
| 242 | N | 91.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | trans | 55.2 | 32.2 | 167.2 | -59.5 | -45.3 | 0 | 0 | 0 | 115 | N218 E244 Y245 F246 | N218-N242 PolarHBondContact O-ND2 3.08Å; N242-E244 PolarHBondContact O-N 2.8Å; N242-E244 VanDerWaalsContact O-N 3.16Å; N242-Y245 PolarHBondContact O-N 2.86Å; N242-F246 HydrophobicContact CB-CD2 3.98Å; N242-F246 PolarHBondContact O-N 3.07Å | ||
| 243 | L | 91.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24 | 178.9 | -80.8 | 171.5 | 0 | 0 | 0 | 113.5 | R240 E241 Y245 F246 R248 | R240-L243 HydrophobicContact CG-CD1 4.36Å; R240-L243 HydrophobicContact CG-CD2 3.78Å; R240-L243 HydrophobicContact CG-CG 3.95Å; E241-L243 PolarHBondContact O-N 3.17Å; L243-Y245 VanDerWaalsContact C-N 3.35Å; L243-F246 WeakPolarHBondContact CA-O 3.36Å; L243-R248 HydrophobicContact CD2-CG 4.03Å |
| 244 | E | 90.6 | Very high | 92.9 | Very high | 181 Ų | 181 | 60 Ų | 60 | 85% | 0.846 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -34.8 | 176.1 | -62.2 | 178.3 | -179.9 | 0 | 0 | 112.3 | N242 | N242-E244 PolarHBondContact O-N 2.8Å; N242-E244 VanDerWaalsContact O-N 3.16Å |
| 245 | Y | 91.4 | Very high | 92.9 | Very high | 179 Ų | 179 | 67 Ų | 67 | 70% | 0.702 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -36.8 | -178.5 | -64 | -81.1 | 0 | 0 | 0 | 112.3 | N242 L243 | N242-Y245 PolarHBondContact O-N 2.86Å; L243-Y245 VanDerWaalsContact C-N 3.35Å |
| 246 | F | 93.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 66.9 Ų | 66.9 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -118.6 | 95.6 | -178.9 | -61.9 | -72.4 | 0 | 0 | 0 | 108.9 | L219 R240 N242 L243 | L219-F246 HydrophobicContact CD2-CB 3.79Å; L219-F246 HydrophobicContact CD2-CD1 4.43Å; L219-F246 HydrophobicContact CD2-CD2 3.57Å; L219-F246 HydrophobicContact CD2-CE2 4.26Å; L219-F246 HydrophobicContact CD2-CG 3.67Å; R240-F246 PolarHBondContact NH2-O 3.46Å; N242-F246 HydrophobicContact CB-CD2 3.98Å; N242-F246 PolarHBondContact O-N 3.07Å; L243-F246 WeakPolarHBondContact CA-O 3.36Å |
| 247 | P | 90.8 | Very high | 92.8 | Very high | 77 Ų | 77 | 67.2 Ų | 67.2 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | trans | -63.7 | 169.9 | -176 | 27.4 | -35.2 | 0 | 0 | 0 | 112.2 | S249 S250 | P247-S249 PolarHBondContact O-N 3.44Å; P247-S250 WeakPolarHBondContact CD-OG 3.11Å; P247-S250 WeakPolarHBondContact O-CB 3.42Å; P247-S250 PolarHBondContact O-N 3.05Å; P247-S250 VanDerWaalsContact O-N 3.07Å; P247-S250 PolarHBondContact O-OG 3.13Å; P247-S250 VanDerWaalsContact O-OG 3.05Å | ||
| 248 | R | 86.5 | Confident | 92.6 | Very high | 176 Ų | 176 | 69.3 Ų | 69.3 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 129 | 170.8 | -60.6 | -175.9 | 177.7 | 178.2 | -0.4 | 108.5 | L243 M257 | L243-R248 HydrophobicContact CD2-CG 4.03Å; R248-M257 HydrophobicContact CG-CE 3.96Å |
| 249 | S | 86.6 | Confident | 92.4 | Very high | 104 Ų | 104 | 72.7 Ų | 72.7 | 73% | 0.727 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.5 | -6.9 | -169.2 | 84.9 | 0 | 0 | 0 | 0 | 114.8 | P247 S251 D254 | P247-S249 PolarHBondContact O-N 3.44Å; S249-S251 VanDerWaalsContact C-N 3.29Å; S249-D254 WeakPolarHBondContact CA-OD2 3.37Å; S249-D254 PolarHBondContact N-OD2 3.1Å |
| 250 | S | 91.4 | Very high | 92.2 | Very high | 52 Ų | 52 | 68.8 Ų | 68.8 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -72 | -24.4 | 172.9 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | P247 D254 | P247-S250 WeakPolarHBondContact CD-OG 3.11Å; P247-S250 WeakPolarHBondContact O-CB 3.42Å; P247-S250 PolarHBondContact O-N 3.05Å; P247-S250 VanDerWaalsContact O-N 3.07Å; P247-S250 PolarHBondContact O-OG 3.13Å; P247-S250 VanDerWaalsContact O-OG 3.05Å; S250-D254 PolarHBondContact N-OD2 3.28Å; S250-D254 VanDerWaalsContact N-OD2 3.15Å |
| 251 | S | 93.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -112.7 | 145.4 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 111 | E216 W220 S249 W253 D254 | E216-S251 VanDerWaalsContact OE1-CA 3.26Å; E216-S251 WeakPolarHBondContact OE1-CA 3.3Å; E216-S251 WeakPolarHBondContact OE1-CB 3.27Å; E216-S251 PolarHBondContact OE1-OG 3.49Å; E216-S251 WeakPolarHBondContact OE2-CB 3.41Å; E216-S251 PolarHBondContact OE2-OG 3.46Å; W220-S251 WeakPolarHBondContact CZ2-OG 3.48Å; W220-S251 PolarHBondContact NE1-OG 3.09Å; S249-S251 VanDerWaalsContact C-N 3.29Å; S251-W253 PolarHBondContact O-N 3.24Å; S251-W253 PolarHBondContact OG-N 3.47Å; S251-W253 VanDerWaalsContact OG-N 3.13Å; S251-D254 PolarHBondContact N-OD2 3.49Å; S251-D254 WeakPolarHBondContact O-CB 3.45Å; S251-D254 PolarHBondContact O-N 3.32Å |
| 252 | Y | 92.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 69.3 Ų | 69.3 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -56.6 | -37.9 | 170.7 | 179 | -86.7 | 0 | 0 | 0 | 111.3 | D183 M184 P185 E216 D254 R255 | D183-Y252 HydrophobicContact CB-CD2 4.48Å; D183-Y252 VanDerWaalsContact O-CD2 3.29Å; D183-Y252 WeakPolarHBondContact O-CD2 3.39Å; M184-Y252 HydrophobicContact CB-CE1 4.16Å; M184-Y252 HydrophobicContact CB-CE2 4.02Å; M184-Y252 HydrophobicContact CE-CE1 4.06Å; M184-Y252 HydrophobicContact CG-CD1 4.36Å; M184-Y252 HydrophobicContact CG-CE1 3.64Å; M184-Y252 HydrophobicContact CG-CE2 4.41Å; P185-Y252 VanDerWaalsContact CD-CG 3.47Å; P185-Y252 HydrophobicContact CG-CD1 4.4Å; P185-Y252 HydrophobicContact CG-CG 4.3Å; E216-Y252 PolarHBondContact OE1-N 3.19Å; Y252-D254 PolarHBondContact O-N 3.47Å; Y252-R255 VanDerWaalsContact CZ-CZ 3.4Å; Y252-R255 WeakPolarHBondContact O-CG 3.48Å; Y252-R255 PolarHBondContact O-NE 3.13Å; Y252-R255 PolarHBondContact OH-NH1 3.06Å |
| 253 | W | 94.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -77.3 | -5.6 | -174.7 | -57.9 | 112.5 | 0 | 0 | 0 | 113.9 | M184 P185 L186 L213 V214 L215 W220 S251 R255 C256 L262 | M184-W253 HydrophobicContact CE-CH2 3.88Å; M184-W253 HydrophobicContact CE-CZ3 4.06Å; M184-W253 HydrophobicContact CG-CH2 4.11Å; P185-W253 HydrophobicContact CG-CZ2 3.83Å; L186-W253 HydrophobicContact CD2-CH2 4.26Å; L186-W253 HydrophobicContact CD2-CZ2 4.45Å; L213-W253 HydrophobicContact CB-CH2 4.1Å; L213-W253 HydrophobicContact CB-CZ2 3.66Å; L213-W253 HydrophobicContact CD1-CH2 3.91Å; L213-W253 HydrophobicContact CD1-CZ2 4.22Å; L213-W253 HydrophobicContact CD1-CZ3 4.14Å; L213-W253 HydrophobicContact CD2-CH2 3.78Å; L213-W253 HydrophobicContact CD2-CZ2 4.15Å; L213-W253 HydrophobicContact CG-CH2 4.15Å; L213-W253 HydrophobicContact CG-CZ2 4.22Å; V214-W253 PolarHBondContact O-NE1 3.48Å; L215-W253 HydrophobicContact CD2-CG 4.08Å; W220-W253 HydrophobicContact CH2-CB 4.11Å; W220-W253 HydrophobicContact CZ2-CB 3.63Å; S251-W253 PolarHBondContact O-N 3.24Å; S251-W253 PolarHBondContact OG-N 3.47Å; S251-W253 VanDerWaalsContact OG-N 3.13Å; W253-R255 PolarHBondContact O-N 3.42Å; W253-C256 PolarHBondContact O-N 2.87Å; W253-L262 HydrophobicContact CB-CD1 3.97Å |
| 254 | D | 94.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -57.6 | -25.4 | 175.2 | -73.7 | -28 | 0 | 0 | 0 | 112.2 | R240 S249 S250 S251 Y252 C256 M257 | R240-D254 WeakPolarHBondContact CD-OD1 3.44Å; R240-D254 IonicContact CZ-OD1 3.86Å; R240-D254 IonicContact NE-OD1 2.82Å; R240-D254 PolarHBondContact NE-OD1 3.01Å; S249-D254 WeakPolarHBondContact CA-OD2 3.37Å; S249-D254 PolarHBondContact N-OD2 3.1Å; S250-D254 PolarHBondContact N-OD2 3.28Å; S250-D254 VanDerWaalsContact N-OD2 3.15Å; S251-D254 PolarHBondContact N-OD2 3.49Å; S251-D254 WeakPolarHBondContact O-CB 3.45Å; S251-D254 PolarHBondContact O-N 3.32Å; Y252-D254 PolarHBondContact O-N 3.47Å; D254-C256 VanDerWaalsContact C-N 3.27Å; D254-C256 PolarHBondContact O-N 3.04Å; D254-M257 HydrophobicContact CB-CE 3.62Å; D254-M257 WeakPolarHBondContact O-CB 3.38Å; D254-M257 PolarHBondContact O-N 2.68Å; D254-M257 WeakPolarHBondContact OD1-CE 3.28Å; D254-M257 VanDerWaalsContact OD1-SD 3.39Å |
| 255 | R | 92.9 | Very high | 92.6 | Very high | 151 Ų | 151 | 58.1 Ų | 58.1 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -68 | -21.2 | 175 | 74.8 | -172.8 | 68.2 | -162.1 | -6.2 | 114.5 | Y252 W253 | Y252-R255 VanDerWaalsContact CZ-CZ 3.4Å; Y252-R255 WeakPolarHBondContact O-CG 3.48Å; Y252-R255 PolarHBondContact O-NE 3.13Å; Y252-R255 PolarHBondContact OH-NH1 3.06Å; W253-R255 PolarHBondContact O-N 3.42Å |
| 256 | C | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -103.7 | 13.3 | -179.7 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | W253 D254 L262 S263 V267 | W253-C256 PolarHBondContact O-N 2.87Å; D254-C256 VanDerWaalsContact C-N 3.27Å; D254-C256 PolarHBondContact O-N 3.04Å; C256-L262 HydrophobicContact CB-CD1 3.63Å; C256-S263 PolarHBondContact O-N 3.16Å; C256-V267 HydrophobicContact CB-CG2 3.78Å |
| 257 | M | 93.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 46 Ų | 46 | 17% | 0.167 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.2 | 180 | -70.9 | -169.5 | -54.5 | 0 | 0 | 112.4 | W220 R240 R248 D254 Y261 | W220-M257 HydrophobicContact CH2-CG 3.65Å; W220-M257 HydrophobicContact CH2-SD 3.66Å; W220-M257 HydrophobicContact CZ3-CG 4.09Å; W220-M257 HydrophobicContact CZ3-SD 4.05Å; R240-M257 HydrophobicContact CB-SD 3.57Å; R240-M257 VanDerWaalsContact CB-SD 3.57Å; R240-M257 HydrophobicContact CG-CE 4.46Å; R240-M257 HydrophobicContact CG-SD 3.5Å; R240-M257 VanDerWaalsContact CG-SD 3.5Å; R248-M257 HydrophobicContact CG-CE 3.96Å; D254-M257 HydrophobicContact CB-CE 3.62Å; D254-M257 WeakPolarHBondContact O-CB 3.38Å; D254-M257 PolarHBondContact O-N 2.68Å; D254-M257 WeakPolarHBondContact OD1-CE 3.28Å; D254-M257 VanDerWaalsContact OD1-SD 3.39Å; M257-Y261 CarbonylContact C-O 3.55Å; M257-Y261 VanDerWaalsContact CA-O 3.25Å; M257-Y261 WeakPolarHBondContact CA-O 3.49Å |
| 258 | V | 92.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 34% | 0.339 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.5 | 172.6 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | G260 Y261 S266 N343 | V258-G260 VanDerWaalsContact C-N 3.26Å; V258-G260 PolarHBondContact O-N 3.32Å; V258-Y261 PolarHBondContact N-O 2.86Å; V258-Y261 PolarHBondContact O-N 3.35Å; V258-Y261 VanDerWaalsContact O-N 3.14Å; V258-S266 WeakPolarHBondContact CG2-OG 3.29Å; V258-N343 PolarHBondContact O-ND2 3.13Å |
| 259 | G | 90.3 | Very high | 92.8 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 73% | 0.732 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 25.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y261 | G259-Y261 VanDerWaalsContact O-CD2 3.3Å; G259-Y261 WeakPolarHBondContact O-CD2 3.26Å; G259-Y261 WeakPolarHBondContact O-CE2 3.17Å |
| 260 | G | 92.7 | Very high | 93 | Very high | 18 Ų | 18 | 36 Ų | 36 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 4.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R240 V258 | R240-G260 WeakPolarHBondContact CB-O 3.36Å; R240-G260 PolarHBondContact N-O 3.22Å; V258-G260 VanDerWaalsContact C-N 3.26Å; V258-G260 PolarHBondContact O-N 3.32Å |
| 261 | Y | 95.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 26% | 0.259 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.4 | 176.1 | -57.5 | -84.7 | 0 | 0 | 0 | 110.6 | I223 L237 V238 R239 M257 V258 G259 S263 | I223-Y261 HydrophobicContact CD1-CE1 4.36Å; L237-Y261 HydrophobicContact CB-CD1 3.83Å; L237-Y261 HydrophobicContact CB-CE1 4.03Å; L237-Y261 HydrophobicContact CD1-CD1 4.02Å; L237-Y261 HydrophobicContact CD1-CE1 3.69Å; L237-Y261 HydrophobicContact CD2-CD1 4.33Å; L237-Y261 HydrophobicContact CD2-CG 4.45Å; L237-Y261 HydrophobicContact CG-CD1 4.31Å; L237-Y261 HydrophobicContact CG-CE1 4.4Å; V238-Y261 CarbonylContact O-C 3.41Å; V238-Y261 WeakPolarHBondContact O-CA 3.49Å; R239-Y261 HydrophobicContact CB-CD1 3.86Å; R239-Y261 HydrophobicContact CB-CE1 3.8Å; R239-Y261 HydrophobicContact CG-CD1 4.21Å; R239-Y261 HydrophobicContact CG-CE1 3.9Å; M257-Y261 CarbonylContact C-O 3.55Å; M257-Y261 VanDerWaalsContact CA-O 3.25Å; M257-Y261 WeakPolarHBondContact CA-O 3.49Å; V258-Y261 PolarHBondContact N-O 2.86Å; V258-Y261 PolarHBondContact O-N 3.35Å; V258-Y261 VanDerWaalsContact O-N 3.14Å; G259-Y261 VanDerWaalsContact O-CD2 3.3Å; G259-Y261 WeakPolarHBondContact O-CD2 3.26Å; G259-Y261 WeakPolarHBondContact O-CE2 3.17Å; Y261-S263 PolarHBondContact O-N 2.71Å |
| 262 | L | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 112.9 | 170.7 | -179.9 | 60.6 | 0 | 0 | 0 | 109.1 | L215 W220 V238 W253 C256 V267 L321 W345 | L215-L262 HydrophobicContact CD2-CD2 3.88Å; W220-L262 HydrophobicContact CE3-CB 4.2Å; W220-L262 HydrophobicContact CH2-CB 4.25Å; W220-L262 HydrophobicContact CH2-CD1 4.41Å; W220-L262 HydrophobicContact CZ3-CB 3.67Å; V238-L262 HydrophobicContact CB-CB 4.07Å; V238-L262 HydrophobicContact CG1-CB 3.99Å; V238-L262 HydrophobicContact CG1-CD2 4.23Å; V238-L262 PolarHBondContact O-N 3.4Å; W253-L262 HydrophobicContact CB-CD1 3.97Å; C256-L262 HydrophobicContact CB-CD1 3.63Å; L262-V267 HydrophobicContact CD1-CG2 3.99Å; L262-V267 HydrophobicContact CG-CG2 4.42Å; L262-L321 HydrophobicContact CD2-CD1 4.08Å; L262-W345 HydrophobicContact CD2-CZ2 3.94Å; L262-W345 HydrophobicContact CG-CZ2 3.97Å; L262-W345 PolarHBondContact O-NE1 3Å |
| 263 | S | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -84.2 | 121.7 | -178 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | C256 Y261 K265 S266 V267 E342 N343 | C256-S263 PolarHBondContact O-N 3.16Å; Y261-S263 PolarHBondContact O-N 2.71Å; S263-K265 PolarHBondContact O-N 2.9Å; S263-K265 PolarHBondContact OG-N 3.28Å; S263-S266 WeakPolarHBondContact CB-OG 3.21Å; S263-S266 PolarHBondContact O-N 2.75Å; S263-S266 PolarHBondContact OG-N 3.17Å; S263-V267 WeakPolarHBondContact O-CG2 3.41Å; S263-V267 PolarHBondContact O-N 3.4Å; S263-E342 PolarHBondContact OG-O 2.91Å; S263-E342 VanDerWaalsContact OG-O 3.07Å; S263-N343 WeakPolarHBondContact CB-OD1 3.21Å; S263-N343 PolarHBondContact OG-OD1 2.85Å | ||
| 264 | P | 94.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -32.1 | 171.8 | 24.7 | -30.6 | 0 | 0 | 0 | 111.7 | V267 L268 A331 E342 L344 W345 | P264-V267 PolarHBondContact O-N 2.94Å; P264-L268 WeakPolarHBondContact O-CB 3.07Å; P264-L268 VanDerWaalsContact O-CG 3.26Å; P264-L268 WeakPolarHBondContact O-CG 3.37Å; P264-L268 PolarHBondContact O-N 2.79Å; P264-A331 HydrophobicContact CB-CB 3.7Å; P264-E342 WeakPolarHBondContact CD-O 3.45Å; P264-E342 WeakPolarHBondContact CG-O 3.37Å; P264-L344 WeakPolarHBondContact CG-O 3.32Å; P264-W345 HydrophobicContact CB-CD2 3.94Å; P264-W345 HydrophobicContact CB-CE3 4.34Å; P264-W345 HydrophobicContact CB-CG 4.35Å; P264-W345 HydrophobicContact CB-CH2 4.35Å; P264-W345 HydrophobicContact CB-CZ2 3.95Å; P264-W345 HydrophobicContact CG-CD2 4.37Å; P264-W345 HydrophobicContact CG-CG 4.27Å |
| 265 | K | 91.9 | Very high | 91.4 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -49 | 175 | -178 | 178.8 | 173.2 | 177.1 | 0 | 111.3 | S263 V267 L268 E269 E342 | S263-K265 PolarHBondContact O-N 2.9Å; S263-K265 PolarHBondContact OG-N 3.28Å; K265-V267 VanDerWaalsContact C-N 3.28Å; K265-V267 PolarHBondContact O-N 2.87Å; K265-L268 WeakPolarHBondContact O-CB 3.35Å; K265-L268 PolarHBondContact O-N 3.16Å; K265-L268 VanDerWaalsContact O-N 3.15Å; K265-E269 WeakPolarHBondContact CE-OE1 3.41Å; K265-E269 WeakPolarHBondContact O-CG 3.45Å; K265-E269 PolarHBondContact O-N 3.16Å; K265-E342 HydrophobicContact CB-CB 4.33Å; K265-E342 HydrophobicContact CD-CB 4.07Å; K265-E342 HydrophobicContact CD-CG 3.89Å; K265-E342 IonicContact NZ-OE1 3.93Å; K265-E342 PolarHBondContact NZ-OE1 3.3Å; K265-E342 IonicContact NZ-OE2 3.78Å |
| 266 | S | 92.5 | Very high | 90.8 | Very high | 24 Ų | 24 | 37.2 Ų | 37.2 | 17% | 0.168 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 177 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | V258 S263 E269 V270 | V258-S266 WeakPolarHBondContact CG2-OG 3.29Å; S263-S266 WeakPolarHBondContact CB-OG 3.21Å; S263-S266 PolarHBondContact O-N 2.75Å; S263-S266 PolarHBondContact OG-N 3.17Å; S266-E269 PolarHBondContact O-N 2.78Å; S266-V270 WeakPolarHBondContact O-CG2 3.01Å; S266-V270 PolarHBondContact O-N 2.99Å; S266-V270 VanDerWaalsContact O-N 3.11Å |
| 267 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -49.3 | 172.1 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L213 C256 L262 S263 P264 K265 E269 V270 F271 P319 W345 | L213-V267 HydrophobicContact CD1-CG1 3.89Å; C256-V267 HydrophobicContact CB-CG2 3.78Å; L262-V267 HydrophobicContact CD1-CG2 3.99Å; L262-V267 HydrophobicContact CG-CG2 4.42Å; S263-V267 WeakPolarHBondContact O-CG2 3.41Å; S263-V267 PolarHBondContact O-N 3.4Å; P264-V267 PolarHBondContact O-N 2.94Å; K265-V267 VanDerWaalsContact C-N 3.28Å; K265-V267 PolarHBondContact O-N 2.87Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.42Å; V267-V270 PolarHBondContact O-N 3.22Å; V267-F271 HydrophobicContact CG1-CD2 3.73Å; V267-F271 HydrophobicContact CG1-CE2 3.66Å; V267-F271 VanDerWaalsContact O-CD2 3.27Å; V267-F271 WeakPolarHBondContact O-CD2 3.49Å; V267-F271 PolarHBondContact O-N 3.24Å; V267-P319 HydrophobicContact CG1-CB 3.97Å; V267-P319 HydrophobicContact CG1-CG 4.13Å; V267-W345 HydrophobicContact CG1-CH2 4.47Å; V267-W345 HydrophobicContact CG2-CH2 4.36Å; V267-W345 HydrophobicContact CG2-CZ2 4.17Å |
| 268 | L | 91.6 | Very high | 89.8 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -41.9 | 177.4 | -72.1 | 169.2 | 0 | 0 | 0 | 111.8 | P264 K265 V270 F271 D272 L301 P319 A331 | P264-L268 WeakPolarHBondContact O-CB 3.07Å; P264-L268 VanDerWaalsContact O-CG 3.26Å; P264-L268 WeakPolarHBondContact O-CG 3.37Å; P264-L268 PolarHBondContact O-N 2.79Å; K265-L268 WeakPolarHBondContact O-CB 3.35Å; K265-L268 PolarHBondContact O-N 3.16Å; K265-L268 VanDerWaalsContact O-N 3.15Å; L268-V270 VanDerWaalsContact C-N 3.33Å; L268-V270 PolarHBondContact O-N 2.84Å; L268-F271 CarbonylContact O-C 3.59Å; L268-F271 PolarHBondContact O-N 3.24Å; L268-D272 WeakPolarHBondContact O-CB 3.33Å; L268-D272 PolarHBondContact O-N 2.62Å; L268-L301 HydrophobicContact CD2-CD1 3.67Å; L268-L301 HydrophobicContact CD2-CG 4.06Å; L268-P319 HydrophobicContact CD2-CG 3.96Å; L268-A331 HydrophobicContact CD1-CB 4.34Å; L268-A331 HydrophobicContact CD2-CB 4.2Å; L268-A331 HydrophobicContact CG-CB 4.06Å |
| 269 | E | 90.2 | Very high | 89.5 | Confident | 87 Ų | 87 | 39.5 Ų | 39.5 | 41% | 0.407 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -36.1 | 176.7 | -73 | 174.1 | -169.1 | 0 | 0 | 113.1 | K265 S266 V267 K273 | K265-E269 WeakPolarHBondContact CE-OE1 3.41Å; K265-E269 WeakPolarHBondContact O-CG 3.45Å; K265-E269 PolarHBondContact O-N 3.16Å; S266-E269 PolarHBondContact O-N 2.78Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact O-CG 3.32Å; E269-K273 WeakPolarHBondContact O-CG 3.42Å; E269-K273 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact O-N 3.17Å |
| 270 | V | 90 | Very high | 89.4 | Confident | 39 Ų | 39 | 41 Ų | 41 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -47.3 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 110 | M184 S266 V267 L268 D272 K273 L274 | M184-V270 HydrophobicContact CE-CG1 4.25Å; S266-V270 WeakPolarHBondContact O-CG2 3.01Å; S266-V270 PolarHBondContact O-N 2.99Å; S266-V270 VanDerWaalsContact O-N 3.11Å; V267-V270 PolarHBondContact O-N 3.22Å; L268-V270 VanDerWaalsContact C-N 3.33Å; L268-V270 PolarHBondContact O-N 2.84Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 2.72Å; V270-K273 PolarHBondContact O-N 3.03Å; V270-L274 HydrophobicContact CG1-CD1 4.1Å; V270-L274 WeakPolarHBondContact O-CD1 3.31Å; V270-L274 VanDerWaalsContact O-CG 3.29Å; V270-L274 WeakPolarHBondContact O-CG 3.45Å; V270-L274 PolarHBondContact O-N 3.09Å |
| 271 | F | 88.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -34 | 177.5 | -80.7 | -74.5 | 0 | 0 | 0 | 112.5 | M184 L186 V211 L213 V267 L268 L274 V275 L301 P319 | M184-F271 HydrophobicContact CE-CE1 3.93Å; M184-F271 HydrophobicContact CE-CE2 4.01Å; M184-F271 HydrophobicContact CE-CZ 3.6Å; M184-F271 HydrophobicContact SD-CE1 4.29Å; M184-F271 HydrophobicContact SD-CZ 4.26Å; L186-F271 HydrophobicContact CD2-CZ 4.09Å; V211-F271 HydrophobicContact CG1-CE1 3.89Å; V211-F271 HydrophobicContact CG1-CZ 3.76Å; L213-F271 HydrophobicContact CD2-CE2 3.86Å; L213-F271 HydrophobicContact CD2-CZ 3.69Å; V267-F271 HydrophobicContact CG1-CD2 3.73Å; V267-F271 HydrophobicContact CG1-CE2 3.66Å; V267-F271 VanDerWaalsContact O-CD2 3.27Å; V267-F271 WeakPolarHBondContact O-CD2 3.49Å; V267-F271 PolarHBondContact O-N 3.24Å; L268-F271 CarbonylContact O-C 3.59Å; L268-F271 PolarHBondContact O-N 3.24Å; F271-L274 WeakPolarHBondContact O-CB 3.32Å; F271-L274 PolarHBondContact O-N 3Å; F271-V275 VanDerWaalsContact O-CB 3.31Å; F271-V275 WeakPolarHBondContact O-CB 3.45Å; F271-V275 VanDerWaalsContact O-CG2 3.26Å; F271-V275 WeakPolarHBondContact O-CG2 3.3Å; F271-V275 PolarHBondContact O-N 2.86Å; F271-L301 HydrophobicContact CB-CD1 3.31Å; F271-L301 HydrophobicContact CB-CD2 4.33Å; F271-L301 HydrophobicContact CB-CG 4.45Å; F271-L301 HydrophobicContact CG-CD1 4.21Å; F271-P319 HydrophobicContact CD2-CG 3.96Å; F271-P319 HydrophobicContact CE2-CB 4.31Å; F271-P319 HydrophobicContact CE2-CG 4.08Å |
| 272 | D | 88.4 | Confident | 89.1 | Confident | 71 Ų | 71 | 41.6 Ų | 41.6 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.4 | -46.3 | 178.4 | -171.2 | 51.2 | 0 | 0 | 0 | 110.9 | L268 V270 L274 V275 A276 L301 | L268-D272 WeakPolarHBondContact O-CB 3.33Å; L268-D272 PolarHBondContact O-N 2.62Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 2.72Å; D272-L274 PolarHBondContact O-N 3.01Å; D272-V275 PolarHBondContact O-N 3.34Å; D272-A276 VanDerWaalsContact O-CB 3.29Å; D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 2.7Å; D272-L301 HydrophobicContact CB-CD2 3.5Å; D272-L301 VanDerWaalsContact N-CD2 3.34Å |
| 273 | K | 87.7 | Confident | 88.9 | Confident | 140 Ų | 140 | 43.8 Ų | 43.8 | 61% | 0.609 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60 | -32 | 174.8 | -70.8 | 170.2 | -174.2 | 168.9 | 0 | 112.6 | E269 V270 G277 S278 | E269-K273 VanDerWaalsContact O-CG 3.32Å; E269-K273 WeakPolarHBondContact O-CG 3.42Å; E269-K273 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact O-N 3.17Å; V270-K273 PolarHBondContact O-N 3.03Å; K273-G277 CarbonylContact O-C 3.59Å; K273-G277 VanDerWaalsContact O-CA 3.24Å; K273-G277 WeakPolarHBondContact O-CA 3.44Å; K273-G277 PolarHBondContact O-N 2.66Å; K273-S278 PolarHBondContact O-N 3.13Å; K273-S278 PolarHBondContact O-OG 3.47Å |
| 274 | L | 85.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.6 | -53.7 | 176.7 | -66.4 | 164.4 | 0 | 0 | 0 | 111.2 | L177 L181 M184 V270 F271 D272 S278 I279 | L177-L274 HydrophobicContact CD2-CD1 4.32Å; L181-L274 HydrophobicContact CD1-CD1 3.31Å; L181-L274 HydrophobicContact CD1-CD2 3.67Å; L181-L274 HydrophobicContact CD1-CG 4.12Å; L181-L274 HydrophobicContact CG-CD2 4.3Å; M184-L274 HydrophobicContact CE-CD1 4.5Å; V270-L274 HydrophobicContact CG1-CD1 4.1Å; V270-L274 WeakPolarHBondContact O-CD1 3.31Å; V270-L274 VanDerWaalsContact O-CG 3.29Å; V270-L274 WeakPolarHBondContact O-CG 3.45Å; V270-L274 PolarHBondContact O-N 3.09Å; F271-L274 WeakPolarHBondContact O-CB 3.32Å; F271-L274 PolarHBondContact O-N 3Å; D272-L274 PolarHBondContact O-N 3.01Å; L274-S278 WeakPolarHBondContact O-CA 3.26Å; L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.41Å; L274-S278 PolarHBondContact O-N 2.56Å; L274-I279 PolarHBondContact O-N 3.31Å |
| 275 | V | 82.9 | Confident | 88.5 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -55.9 | -175.4 | 171.8 | 0 | 0 | 0 | 0 | 110 | F271 D272 W281 L303 | F271-V275 VanDerWaalsContact O-CB 3.31Å; F271-V275 WeakPolarHBondContact O-CB 3.45Å; F271-V275 VanDerWaalsContact O-CG2 3.26Å; F271-V275 WeakPolarHBondContact O-CG2 3.3Å; F271-V275 PolarHBondContact O-N 2.86Å; D272-V275 PolarHBondContact O-N 3.34Å; V275-W281 HydrophobicContact CB-CZ2 4.39Å; V275-W281 HydrophobicContact CG1-CH2 4.44Å; V275-W281 HydrophobicContact CG1-CZ2 3.6Å; V275-W281 WeakPolarHBondContact O-CZ2 3.39Å; V275-W281 PolarHBondContact O-NE1 3.25Å; V275-L303 HydrophobicContact CG1-CD2 3.99Å; V275-L303 HydrophobicContact CG1-CG 4.49Å |
| 276 | A | 81.3 | Confident | 88.4 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -77.4 | -35.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | D272 P294 | D272-A276 VanDerWaalsContact O-CB 3.29Å; D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 2.7Å; A276-P294 HydrophobicContact CB-CB 4.36Å |
| 277 | G | 80.1 | Confident | 88.4 | Confident | 63 Ų | 63 | 50 Ų | 50 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -98.2 | -27.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K273 | K273-G277 CarbonylContact O-C 3.59Å; K273-G277 VanDerWaalsContact O-CA 3.24Å; K273-G277 WeakPolarHBondContact O-CA 3.44Å; K273-G277 PolarHBondContact O-N 2.66Å |
| 278 | S | 85.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -111.2 | -19.4 | -169.6 | -53.9 | 0 | 0 | 0 | 0 | 114.1 | F176 K273 L274 | F176-S278 WeakPolarHBondContact CZ-O 3.27Å; K273-S278 PolarHBondContact O-N 3.13Å; K273-S278 PolarHBondContact O-OG 3.47Å; L274-S278 WeakPolarHBondContact O-CA 3.26Å; L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.41Å; L274-S278 PolarHBondContact O-N 2.56Å |
| 279 | I | 87.4 | Confident | 88.3 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | trans | -92.5 | 132.1 | -176.7 | -64.2 | 177.1 | 0 | 0 | 0 | 110.5 | L173 F176 L274 W281 I284 | L173-I279 HydrophobicContact CD2-CD1 3.28Å; F176-I279 HydrophobicContact CD1-CD1 3.68Å; F176-I279 HydrophobicContact CD1-CG1 3.5Å; F176-I279 HydrophobicContact CD2-CG1 4.18Å; F176-I279 HydrophobicContact CE1-CD1 3.81Å; F176-I279 HydrophobicContact CE1-CG1 3.19Å; F176-I279 HydrophobicContact CE2-CG1 3.91Å; F176-I279 HydrophobicContact CG-CD1 4.26Å; F176-I279 HydrophobicContact CG-CG1 3.98Å; F176-I279 HydrophobicContact CZ-CB 4.32Å; F176-I279 HydrophobicContact CZ-CD1 4.45Å; F176-I279 HydrophobicContact CZ-CG1 3.4Å; L274-I279 PolarHBondContact O-N 3.31Å; I279-W281 HydrophobicContact CB-CD2 4.3Å; I279-W281 HydrophobicContact CB-CZ2 3.89Å; I279-W281 HydrophobicContact CD1-CH2 3.83Å; I279-W281 HydrophobicContact CD1-CZ2 3.56Å; I279-W281 HydrophobicContact CG1-CZ2 4.3Å; I279-W281 HydrophobicContact CG2-CD2 3.62Å; I279-W281 HydrophobicContact CG2-CE3 3.83Å; I279-W281 HydrophobicContact CG2-CG 4.16Å; I279-W281 HydrophobicContact CG2-CH2 4Å; I279-W281 HydrophobicContact CG2-CZ2 3.75Å; I279-W281 HydrophobicContact CG2-CZ3 4.03Å; I279-W281 PolarHBondContact O-N 3.33Å; I279-W281 VanDerWaalsContact O-N 3.13Å; I279-I284 HydrophobicContact CG2-CD1 3.52Å | ||
| 280 | N | 89.1 | Confident | 88.4 | Confident | 102 Ų | 102 | 55 Ų | 55 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | trans | -84 | 79.9 | 170.3 | -171.5 | -10 | 0 | 0 | 0 | 110.1 | P282 A283 I284 | N280-P282 VanDerWaalsContact OD1-CD 3.31Å; N280-P282 WeakPolarHBondContact OD1-CD 3.49Å; N280-A283 HydrophobicContact CB-CB 4.09Å; N280-A283 WeakPolarHBondContact O-CB 3.48Å; N280-A283 PolarHBondContact O-N 3.5Å; N280-A283 VanDerWaalsContact O-N 3.1Å; N280-A283 PolarHBondContact OD1-N 3.42Å; N280-I284 PolarHBondContact O-N 2.83Å | ||
| 281 | W | 90.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.7 | -40.2 | 178.9 | -63.3 | 109.1 | 0 | 0 | 0 | 114.5 | L173 V275 I279 A283 I284 G285 I292 L303 | L173-W281 HydrophobicContact CD1-CH2 3.99Å; L173-W281 HydrophobicContact CD2-CH2 3.64Å; L173-W281 HydrophobicContact CD2-CZ2 4.38Å; L173-W281 HydrophobicContact CD2-CZ3 4.42Å; L173-W281 HydrophobicContact CG-CH2 3.95Å; L173-W281 HydrophobicContact CG-CZ3 4.4Å; V275-W281 HydrophobicContact CB-CZ2 4.39Å; V275-W281 HydrophobicContact CG1-CH2 4.44Å; V275-W281 HydrophobicContact CG1-CZ2 3.6Å; V275-W281 WeakPolarHBondContact O-CZ2 3.39Å; V275-W281 PolarHBondContact O-NE1 3.25Å; I279-W281 HydrophobicContact CB-CD2 4.3Å; I279-W281 HydrophobicContact CB-CZ2 3.89Å; I279-W281 HydrophobicContact CD1-CH2 3.83Å; I279-W281 HydrophobicContact CD1-CZ2 3.56Å; I279-W281 HydrophobicContact CG1-CZ2 4.3Å; I279-W281 HydrophobicContact CG2-CD2 3.62Å; I279-W281 HydrophobicContact CG2-CE3 3.83Å; I279-W281 HydrophobicContact CG2-CG 4.16Å; I279-W281 HydrophobicContact CG2-CH2 4Å; I279-W281 HydrophobicContact CG2-CZ2 3.75Å; I279-W281 HydrophobicContact CG2-CZ3 4.03Å; I279-W281 PolarHBondContact O-N 3.33Å; I279-W281 VanDerWaalsContact O-N 3.13Å; W281-A283 VanDerWaalsContact C-N 3.27Å; W281-A283 PolarHBondContact O-N 3.14Å; W281-I284 HydrophobicContact CE3-CD1 4.2Å; W281-I284 HydrophobicContact CZ3-CD1 4.21Å; W281-I284 PolarHBondContact O-N 3.39Å; W281-G285 PolarHBondContact O-N 3.43Å; W281-I292 HydrophobicContact CB-CB 4.4Å; W281-I292 HydrophobicContact CB-CG2 4.38Å; W281-I292 HydrophobicContact CD2-CG2 4.01Å; W281-I292 HydrophobicContact CE3-CB 4.31Å; W281-I292 HydrophobicContact CE3-CG2 3.49Å; W281-I292 VanDerWaalsContact CE3-CG2 3.49Å; W281-I292 HydrophobicContact CG-CG2 4.41Å; W281-I292 HydrophobicContact CZ3-CG2 4.1Å; W281-L303 HydrophobicContact CD2-CD2 4.25Å; W281-L303 HydrophobicContact CE3-CD1 4.34Å; W281-L303 HydrophobicContact CH2-CD1 3.27Å; W281-L303 HydrophobicContact CH2-CD2 4.02Å; W281-L303 HydrophobicContact CH2-CG 4.27Å; W281-L303 HydrophobicContact CZ2-CD1 3.82Å; W281-L303 HydrophobicContact CZ2-CD2 3.68Å; W281-L303 HydrophobicContact CZ2-CG 4.37Å; W281-L303 HydrophobicContact CZ3-CD1 3.59Å; W281-L303 HydrophobicContact CZ3-CD2 4.48Å |
| 282 | P | 91.1 | Very high | 88.8 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.6 | -36.4 | 174.2 | -27.7 | 35.4 | 0 | 0 | 0 | 114 | N280 S286 | N280-P282 VanDerWaalsContact OD1-CD 3.31Å; N280-P282 WeakPolarHBondContact OD1-CD 3.49Å; P282-S286 WeakPolarHBondContact O-CB 3.32Å; P282-S286 PolarHBondContact O-N 3.28Å; P282-S286 PolarHBondContact O-OG 3.43Å |
| 283 | A | 90.4 | Very high | 88.9 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N280 W281 G285 S286 V287 | N280-A283 HydrophobicContact CB-CB 4.09Å; N280-A283 WeakPolarHBondContact O-CB 3.48Å; N280-A283 PolarHBondContact O-N 3.5Å; N280-A283 VanDerWaalsContact O-N 3.1Å; N280-A283 PolarHBondContact OD1-N 3.42Å; W281-A283 VanDerWaalsContact C-N 3.27Å; W281-A283 PolarHBondContact O-N 3.14Å; A283-G285 VanDerWaalsContact C-N 3.33Å; A283-G285 PolarHBondContact O-N 3.44Å; A283-S286 PolarHBondContact O-N 3.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.34Å; A283-V287 PolarHBondContact O-N 2.85Å |
| 284 | I | 89 | Confident | 89 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.2 | -63.6 | 176.6 | 0 | 0 | 0 | 110.1 | E172 I279 N280 W281 S286 V287 L288 I292 | E172-I284 HydrophobicContact CB-CD1 4.5Å; E172-I284 HydrophobicContact CB-CG2 4.07Å; E172-I284 HydrophobicContact CG-CG2 4.07Å; I279-I284 HydrophobicContact CG2-CD1 3.52Å; N280-I284 PolarHBondContact O-N 2.83Å; W281-I284 HydrophobicContact CE3-CD1 4.2Å; W281-I284 HydrophobicContact CZ3-CD1 4.21Å; W281-I284 PolarHBondContact O-N 3.39Å; I284-S286 VanDerWaalsContact C-N 3.3Å; I284-S286 PolarHBondContact O-N 3.24Å; I284-V287 PolarHBondContact O-N 2.82Å; I284-V287 VanDerWaalsContact O-N 3.15Å; I284-L288 HydrophobicContact CG2-CD1 3.77Å; I284-L288 HydrophobicContact CG2-CG 4.32Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 2.94Å; I284-I292 HydrophobicContact CB-CD1 4.48Å; I284-I292 HydrophobicContact CG2-CD1 3.87Å |
| 285 | G | 91.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | W281 A283 V287 L288 D289 Y290 | W281-G285 PolarHBondContact O-N 3.43Å; A283-G285 VanDerWaalsContact C-N 3.33Å; A283-G285 PolarHBondContact O-N 3.44Å; G285-V287 VanDerWaalsContact C-N 3.33Å; G285-V287 PolarHBondContact O-N 3.32Å; G285-L288 PolarHBondContact O-N 3.19Å; G285-D289 CarbonylContact O-C 3.52Å; G285-D289 WeakPolarHBondContact O-CA 3.5Å; G285-D289 PolarHBondContact O-N 3.41Å; G285-Y290 CarbonylContact C-O 3.55Å; G285-Y290 WeakPolarHBondContact CA-O 3.3Å; G285-Y290 PolarHBondContact O-N 2.81Å; G285-Y290 VanDerWaalsContact O-O 3.09Å |
| 286 | S | 91.3 | Very high | 88.8 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 71% | 0.706 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.1 | -32.1 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | P282 A283 I284 | P282-S286 WeakPolarHBondContact O-CB 3.32Å; P282-S286 PolarHBondContact O-N 3.28Å; P282-S286 PolarHBondContact O-OG 3.43Å; A283-S286 PolarHBondContact O-N 3.31Å; I284-S286 VanDerWaalsContact C-N 3.3Å; I284-S286 PolarHBondContact O-N 3.24Å |
| 287 | V | 91.3 | Very high | 88 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 69% | 0.685 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -74.4 | -38.1 | 177 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | A283 I284 G285 | A283-V287 WeakPolarHBondContact O-CG2 3.34Å; A283-V287 PolarHBondContact O-N 2.85Å; I284-V287 PolarHBondContact O-N 2.82Å; I284-V287 VanDerWaalsContact O-N 3.15Å; G285-V287 VanDerWaalsContact C-N 3.33Å; G285-V287 PolarHBondContact O-N 3.32Å |
| 288 | L | 90.1 | Very high | 87.3 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -91.5 | -3.7 | -176.9 | -60.1 | -179 | 0 | 0 | 0 | 114.1 | D168 I169 E172 I284 G285 Y290 | D168-L288 HydrophobicContact CB-CD1 4.12Å; D168-L288 HydrophobicContact CB-CD2 4.1Å; I169-L288 HydrophobicContact CG1-CD1 4.33Å; E172-L288 HydrophobicContact CG-CD1 4.1Å; E172-L288 HydrophobicContact CG-CD2 4.44Å; I284-L288 HydrophobicContact CG2-CD1 3.77Å; I284-L288 HydrophobicContact CG2-CG 4.32Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 2.94Å; G285-L288 PolarHBondContact O-N 3.19Å; L288-Y290 VanDerWaalsContact C-N 3.29Å; L288-Y290 HydrophobicContact CB-CD2 3.46Å; L288-Y290 VanDerWaalsContact CB-CD2 3.46Å; L288-Y290 HydrophobicContact CB-CE2 3.74Å; L288-Y290 HydrophobicContact CB-CG 4.1Å; L288-Y290 HydrophobicContact CD1-CD2 4.04Å; L288-Y290 HydrophobicContact CD1-CE2 4.26Å; L288-Y290 HydrophobicContact CG-CD2 4.4Å; L288-Y290 WeakPolarHBondContact O-CE1 3.29Å; L288-Y290 PolarHBondContact O-N 2.67Å |
| 289 | D | 91.8 | Very high | 86.4 | Confident | 148 Ų | 148 | 69.1 Ų | 69.1 | 79% | 0.791 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 37.9 | -171.4 | -159.2 | 28.2 | 0 | 0 | 0 | 113.4 | G285 | G285-D289 CarbonylContact O-C 3.52Å; G285-D289 WeakPolarHBondContact O-CA 3.5Å; G285-D289 PolarHBondContact O-N 3.41Å |
| 290 | Y | 94.2 | Very high | 85.6 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 13% | 0.129 | 40% | 0.398 | C | S | . | . | trans | -121 | 150.5 | 178 | -57.3 | -33.4 | 0 | 0 | 0 | 111.5 | A165 D168 G285 L288 V305 | A165-Y290 HydrophobicContact CB-CD2 4.48Å; A165-Y290 HydrophobicContact CB-CE1 4.41Å; A165-Y290 HydrophobicContact CB-CE2 3.81Å; D168-Y290 HydrophobicContact CB-CE2 4.43Å; G285-Y290 CarbonylContact C-O 3.55Å; G285-Y290 WeakPolarHBondContact CA-O 3.3Å; G285-Y290 PolarHBondContact O-N 2.81Å; G285-Y290 VanDerWaalsContact O-O 3.09Å; L288-Y290 VanDerWaalsContact C-N 3.29Å; L288-Y290 HydrophobicContact CB-CD2 3.46Å; L288-Y290 VanDerWaalsContact CB-CD2 3.46Å; L288-Y290 HydrophobicContact CB-CE2 3.74Å; L288-Y290 HydrophobicContact CB-CG 4.1Å; L288-Y290 HydrophobicContact CD1-CD2 4.04Å; L288-Y290 HydrophobicContact CD1-CE2 4.26Å; L288-Y290 HydrophobicContact CG-CD2 4.4Å; L288-Y290 WeakPolarHBondContact O-CE1 3.29Å; L288-Y290 PolarHBondContact O-N 2.67Å; Y290-V305 HydrophobicContact CD2-CG1 4.41Å; Y290-V305 HydrophobicContact CG-CG1 4.34Å | ||
| 291 | I | 93.2 | Very high | 85.3 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 41% | 0.41 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 104.6 | 167.6 | -53.9 | 168.6 | 0 | 0 | 0 | 108.2 | R293 Q306 | I291-R293 HydrophobicContact CG2-CG 4.48Å; I291-Q306 HydrophobicContact CB-CB 4.11Å; I291-Q306 PolarHBondContact N-O 2.64Å; I291-Q306 PolarHBondContact O-N 2.94Å |
| 292 | I | 93.3 | Very high | 85.4 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.1 | -175.8 | -52.1 | 170.5 | 0 | 0 | 0 | 109.7 | I169 W281 I284 L303 E304 V305 | I169-I292 HydrophobicContact CD1-CD1 4.19Å; I169-I292 HydrophobicContact CD1-CG1 4.5Å; I169-I292 HydrophobicContact CG1-CD1 4.1Å; W281-I292 HydrophobicContact CB-CB 4.4Å; W281-I292 HydrophobicContact CB-CG2 4.38Å; W281-I292 HydrophobicContact CD2-CG2 4.01Å; W281-I292 HydrophobicContact CE3-CB 4.31Å; W281-I292 HydrophobicContact CE3-CG2 3.49Å; W281-I292 VanDerWaalsContact CE3-CG2 3.49Å; W281-I292 HydrophobicContact CG-CG2 4.41Å; W281-I292 HydrophobicContact CZ3-CG2 4.1Å; I284-I292 HydrophobicContact CB-CD1 4.48Å; I284-I292 HydrophobicContact CG2-CD1 3.87Å; I292-L303 HydrophobicContact CG2-CD1 4.42Å; I292-E304 CarbonylContact C-O 3.57Å; I292-E304 WeakPolarHBondContact CA-O 3.23Å; I292-V305 HydrophobicContact CG1-CG1 4.41Å; I292-V305 HydrophobicContact CG2-CG2 4.45Å |
| 293 | R | 90.6 | Very high | 85.4 | Confident | 118 Ų | 118 | 61.1 Ų | 61.1 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 129.9 | 179.2 | -60.9 | -176.5 | 179.6 | 103.4 | -1.4 | 110.8 | I291 E304 | I291-R293 HydrophobicContact CG2-CG 4.48Å; R293-E304 PolarHBondContact N-O 2.82Å; R293-E304 PolarHBondContact O-N 2.92Å |
| 294 | P | 90.1 | Very high | 85.5 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 29% | 0.286 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 134.6 | 168.3 | 29.1 | -31.8 | 0 | 0 | 0 | 110.4 | A276 V296 L303 | A276-P294 HydrophobicContact CB-CB 4.36Å; P294-V296 HydrophobicContact CB-CG2 4.48Å; P294-L303 HydrophobicContact CB-CD2 3.86Å |
| 295 | V | 86.3 | Confident | 85.8 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | trans | -83.8 | 116.4 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | S298 T302 E304 Y314 | V295-S298 WeakPolarHBondContact O-CB 3.36Å; V295-T302 HydrophobicContact CG2-CG2 4.17Å; V295-T302 PolarHBondContact N-O 3.14Å; V295-E304 HydrophobicContact CG2-CB 3.99Å; V295-Y314 HydrophobicContact CG2-CD1 4.39Å; V295-Y314 HydrophobicContact CG2-CE1 4.42Å | ||
| 296 | V | 76.7 | Confident | 85.9 | Confident | 102 Ų | 102 | 61 Ų | 61 | 62% | 0.618 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -132.1 | 133.8 | -179.1 | -174.1 | 0 | 0 | 0 | 0 | 110 | P294 | P294-V296 HydrophobicContact CB-CG2 4.48Š|
| 297 | P | 66 | Low | 85.8 | Confident | 127 Ų | 127 | 56.9 Ų | 56.9 | 83% | 0.825 | 31% | 0.308 | S | S | * | . | S | Bend | cis | -76.4 | 146.5 | -9.8 | 32.5 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 298 | S | 65 | Low | 85.6 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 37% | 0.371 | 29% | 0.291 | S | S | . | . | trans | -134.5 | 138.5 | 173 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | V295 T300 | V295-S298 WeakPolarHBondContact O-CB 3.36Å; S298-T300 WeakPolarHBondContact CB-O 3.3Å; S298-T300 PolarHBondContact O-N 3.47Å; S298-T300 PolarHBondContact OG-N 3.25Å; S298-T300 PolarHBondContact OG-O 2.97Å | ||
| 299 | E | 66.6 | Low | 85.4 | Confident | 157 Ų | 157 | 58.9 Ų | 58.9 | 73% | 0.734 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -65.7 | -24.9 | 175.1 | -66 | -177.3 | 177.8 | 0 | 0 | 111.7 | ||
| 300 | T | 69.3 | Low | 85.1 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -122.3 | 149 | 174.2 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | S298 T302 | S298-T300 WeakPolarHBondContact CB-O 3.3Å; S298-T300 PolarHBondContact O-N 3.47Å; S298-T300 PolarHBondContact OG-N 3.25Å; S298-T300 PolarHBondContact OG-O 2.97Å; T300-T302 PolarHBondContact O-N 3.43Å; T300-T302 PolarHBondContact O-OG1 3.24Å; T300-T302 PolarHBondContact OG1-OG1 3.01Å |
| 301 | L | 84.4 | Confident | 84.9 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 108.6 | 174.3 | -65.6 | 161.7 | 0 | 0 | 0 | 108.9 | L268 F271 D272 D316 F317 | L268-L301 HydrophobicContact CD2-CD1 3.67Å; L268-L301 HydrophobicContact CD2-CG 4.06Å; F271-L301 HydrophobicContact CB-CD1 3.31Å; F271-L301 HydrophobicContact CB-CD2 4.33Å; F271-L301 HydrophobicContact CB-CG 4.45Å; F271-L301 HydrophobicContact CG-CD1 4.21Å; D272-L301 HydrophobicContact CB-CD2 3.5Å; D272-L301 VanDerWaalsContact N-CD2 3.34Å; L301-D316 CarbonylContact O-C 3.6Å; L301-D316 WeakPolarHBondContact O-CA 3.28Å; L301-F317 HydrophobicContact CB-CB 3.77Å; L301-F317 HydrophobicContact CB-CD2 4.22Å; L301-F317 HydrophobicContact CB-CG 4.39Å; L301-F317 HydrophobicContact CD1-CB 4.24Å; L301-F317 WeakPolarHBondContact O-CD2 3.4Å; L301-F317 PolarHBondContact O-N 3.19Å |
| 302 | T | 91.1 | Very high | 84.9 | Confident | 14 Ų | 14 | 63 Ų | 63 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.4 | -173.8 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | V295 T300 Y314 V315 D316 | V295-T302 HydrophobicContact CG2-CG2 4.17Å; V295-T302 PolarHBondContact N-O 3.14Å; T300-T302 PolarHBondContact O-N 3.43Å; T300-T302 PolarHBondContact O-OG1 3.24Å; T300-T302 PolarHBondContact OG1-OG1 3.01Å; T302-Y314 HydrophobicContact CG2-CD1 4.23Å; T302-V315 WeakPolarHBondContact CA-O 3.38Å; T302-D316 WeakPolarHBondContact CB-OD1 3.48Å; T302-D316 WeakPolarHBondContact CG2-OD1 3.26Å; T302-D316 PolarHBondContact OG1-OD1 2.89Å |
| 303 | L | 91.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.3 | 172.4 | -65.4 | 174.6 | 0 | 0 | 0 | 110.3 | I169 L173 V275 W281 I292 P294 V305 Y314 V315 F317 | I169-L303 HydrophobicContact CG2-CD1 4.24Å; L173-L303 HydrophobicContact CD1-CD1 4.44Å; V275-L303 HydrophobicContact CG1-CD2 3.99Å; V275-L303 HydrophobicContact CG1-CG 4.49Å; W281-L303 HydrophobicContact CD2-CD2 4.25Å; W281-L303 HydrophobicContact CE3-CD1 4.34Å; W281-L303 HydrophobicContact CH2-CD1 3.27Å; W281-L303 HydrophobicContact CH2-CD2 4.02Å; W281-L303 HydrophobicContact CH2-CG 4.27Å; W281-L303 HydrophobicContact CZ2-CD1 3.82Å; W281-L303 HydrophobicContact CZ2-CD2 3.68Å; W281-L303 HydrophobicContact CZ2-CG 4.37Å; W281-L303 HydrophobicContact CZ3-CD1 3.59Å; W281-L303 HydrophobicContact CZ3-CD2 4.48Å; I292-L303 HydrophobicContact CG2-CD1 4.42Å; P294-L303 HydrophobicContact CB-CD2 3.86Å; L303-V305 HydrophobicContact CB-CG2 4.43Å; L303-Y314 CarbonylContact O-C 3.56Å; L303-Y314 VanDerWaalsContact O-CA 3.32Å; L303-Y314 WeakPolarHBondContact O-CA 3.31Å; L303-V315 HydrophobicContact CB-CB 4.49Å; L303-V315 PolarHBondContact N-O 2.97Å; L303-V315 PolarHBondContact O-N 2.77Å; L303-F317 HydrophobicContact CB-CE2 4.19Å; L303-F317 HydrophobicContact CD1-CE2 3.37Å; L303-F317 HydrophobicContact CD1-CZ 3.4Å; L303-F317 VanDerWaalsContact CD1-CZ 3.4Å; L303-F317 HydrophobicContact CG-CD2 4.48Å; L303-F317 HydrophobicContact CG-CE2 3.49Å; L303-F317 VanDerWaalsContact CG-CE2 3.49Å; L303-F317 HydrophobicContact CG-CZ 4.08Å |
| 304 | E | 93.6 | Very high | 85.1 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.5 | 165.7 | -177.2 | -177 | -150.6 | 0 | 0 | 108.9 | I292 R293 V295 R312 Y314 | I292-E304 CarbonylContact C-O 3.57Å; I292-E304 WeakPolarHBondContact CA-O 3.23Å; R293-E304 PolarHBondContact N-O 2.82Å; R293-E304 PolarHBondContact O-N 2.92Å; V295-E304 HydrophobicContact CG2-CB 3.99Å; E304-R312 VanDerWaalsContact OE1-CD 3.31Å; E304-R312 WeakPolarHBondContact OE1-CD 3.08Å; E304-R312 IonicContact OE1-CZ 2.94Å; E304-R312 IonicContact OE1-NE 3.53Å; E304-R312 IonicContact OE1-NH1 3.48Å; E304-R312 PolarHBondContact OE1-NH1 3.25Å; E304-Y314 HydrophobicContact CB-CD1 4.2Å; E304-Y314 HydrophobicContact CB-CE1 3.92Å; E304-Y314 HydrophobicContact CG-CD1 4.45Å; E304-Y314 HydrophobicContact CG-CE1 3.86Å |
| 305 | V | 93.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 107.4 | -177.7 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | I169 Y290 I292 L303 Y307 R312 L313 V315 | I169-V305 HydrophobicContact CD1-CB 4.04Å; I169-V305 HydrophobicContact CD1-CG1 3.64Å; I169-V305 HydrophobicContact CD1-CG2 3.21Å; Y290-V305 HydrophobicContact CD2-CG1 4.41Å; Y290-V305 HydrophobicContact CG-CG1 4.34Å; I292-V305 HydrophobicContact CG1-CG1 4.41Å; I292-V305 HydrophobicContact CG2-CG2 4.45Å; L303-V305 HydrophobicContact CB-CG2 4.43Å; V305-Y307 PolarHBondContact O-N 2.95Å; V305-R312 CarbonylContact O-C 3.15Å; V305-R312 WeakPolarHBondContact O-CA 3.48Å; V305-L313 HydrophobicContact CB-CB 4.28Å; V305-L313 WeakPolarHBondContact CB-O 3.4Å; V305-L313 PolarHBondContact N-O 3Å; V305-L313 PolarHBondContact O-N 3.25Å; V305-V315 HydrophobicContact CG2-CG2 3.97Å |
| 306 | Q | 93.9 | Very high | 85.5 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 102.8 | 170.4 | -176.4 | 177.8 | 10.4 | 0 | 0 | 108 | I291 E308 T309 R311 | I291-Q306 HydrophobicContact CB-CB 4.11Å; I291-Q306 PolarHBondContact N-O 2.64Å; I291-Q306 PolarHBondContact O-N 2.94Å; Q306-E308 WeakPolarHBondContact CG-O 3.37Å; Q306-T309 PolarHBondContact NE2-O 2.97Å; Q306-R311 WeakPolarHBondContact CA-O 3.43Å |
| 307 | Y | 89.4 | Confident | 86.2 | Confident | 16 Ų | 16 | 53 Ų | 53 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -17.3 | -177.3 | 62.5 | -92.1 | 0 | 0 | 0 | 113 | T161 A162 V305 R311 L313 | T161-Y307 HydrophobicContact CG2-CD2 3.75Å; T161-Y307 HydrophobicContact CG2-CE2 4.23Å; A162-Y307 HydrophobicContact CB-CE1 4.3Å; V305-Y307 PolarHBondContact O-N 2.95Å; Y307-R311 HydrophobicContact CD2-CB 4.49Å; Y307-R311 HydrophobicContact CE1-CB 3.9Å; Y307-R311 HydrophobicContact CE2-CB 3.79Å; Y307-R311 VanDerWaalsContact CZ-CB 3.46Å; Y307-R311 PolarHBondContact N-O 3.2Å; Y307-R311 WeakPolarHBondContact OH-CD 3.21Å; Y307-L313 HydrophobicContact CD1-CB 3.76Å; Y307-L313 HydrophobicContact CE1-CB 3.71Å |
| 308 | E | 87.8 | Confident | 87.4 | Confident | 71 Ų | 71 | 47.3 Ų | 47.3 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 163.8 | 170 | -76.8 | 169.2 | -164.6 | 0 | 0 | 108.4 | Q306 D310 R311 | Q306-E308 WeakPolarHBondContact CG-O 3.37Å; E308-D310 PolarHBondContact O-N 2.87Å; E308-D310 VanDerWaalsContact O-N 3.14Å; E308-R311 HydrophobicContact CB-CB 4.09Å; E308-R311 HydrophobicContact CB-CG 4.27Å; E308-R311 PolarHBondContact O-N 3.29Å; E308-R311 IonicContact OE1-NH1 3.54Å; E308-R311 WeakPolarHBondContact OE2-CD 3.45Å; E308-R311 IonicContact OE2-CZ 3.99Å; E308-R311 IonicContact OE2-NE 3.43Å; E308-R311 PolarHBondContact OE2-NE 3.11Å; E308-R311 IonicContact OE2-NH1 3.6Å; E308-R311 PolarHBondContact OE2-NH1 3.27Å |
| 309 | T | 84.4 | Confident | 88.9 | Confident | 117 Ų | 117 | 44.8 Ų | 44.8 | 72% | 0.718 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | -40.2 | -175.5 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | Q306 | Q306-T309 PolarHBondContact NE2-O 2.97Š|
| 310 | D | 86.5 | Confident | 90.2 | Very high | 147 Ų | 147 | 37.5 Ų | 37.5 | 79% | 0.786 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 6.8 | -176 | -59.2 | -41.8 | 0 | 0 | 0 | 113.6 | E308 | E308-D310 PolarHBondContact O-N 2.87Å; E308-D310 VanDerWaalsContact O-N 3.14Å |
| 311 | R | 88.9 | Confident | 91.5 | Very high | 74 Ų | 74 | 36.4 Ų | 36.4 | 28% | 0.279 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.1 | -176.3 | -54.6 | -165.8 | 174.3 | 158.6 | -24 | 113.1 | E158 Q306 Y307 E308 | E158-R311 VanDerWaalsContact CB-NH1 3.34Å; E158-R311 VanDerWaalsContact CD-CZ 3.5Å; E158-R311 IonicContact OE2-CZ 2.97Å; E158-R311 IonicContact OE2-NE 3.98Å; E158-R311 IonicContact OE2-NH1 2.59Å; E158-R311 IonicContact OE2-NH2 2.88Å; E158-R311 PolarHBondContact OE2-NH2 3.48Å; Q306-R311 WeakPolarHBondContact CA-O 3.43Å; Y307-R311 HydrophobicContact CD2-CB 4.49Å; Y307-R311 HydrophobicContact CE1-CB 3.9Å; Y307-R311 HydrophobicContact CE2-CB 3.79Å; Y307-R311 VanDerWaalsContact CZ-CB 3.46Å; Y307-R311 PolarHBondContact N-O 3.2Å; Y307-R311 WeakPolarHBondContact OH-CD 3.21Å; E308-R311 HydrophobicContact CB-CB 4.09Å; E308-R311 HydrophobicContact CB-CG 4.27Å; E308-R311 PolarHBondContact O-N 3.29Å; E308-R311 IonicContact OE1-NH1 3.54Å; E308-R311 WeakPolarHBondContact OE2-CD 3.45Å; E308-R311 IonicContact OE2-CZ 3.99Å; E308-R311 IonicContact OE2-NE 3.43Å; E308-R311 PolarHBondContact OE2-NE 3.11Å; E308-R311 IonicContact OE2-NH1 3.6Å; E308-R311 PolarHBondContact OE2-NH1 3.27Å |
| 312 | R | 93.3 | Very high | 92 | Very high | 126 Ų | 126 | 39.9 Ų | 39.9 | 48% | 0.475 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.8 | -175 | -60.1 | 173.8 | -176.6 | -160.1 | 13.5 | 108.9 | E304 V305 | E304-R312 VanDerWaalsContact OE1-CD 3.31Å; E304-R312 WeakPolarHBondContact OE1-CD 3.08Å; E304-R312 IonicContact OE1-CZ 2.94Å; E304-R312 IonicContact OE1-NE 3.53Å; E304-R312 IonicContact OE1-NH1 3.48Å; E304-R312 PolarHBondContact OE1-NH1 3.25Å; V305-R312 CarbonylContact O-C 3.15Å; V305-R312 WeakPolarHBondContact O-CA 3.48Å |
| 313 | L | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.8 | 175.3 | 175.2 | 67.8 | 0 | 0 | 0 | 108.4 | A162 A165 A166 L195 A207 V305 Y307 V315 | A162-L313 WeakPolarHBondContact O-CD2 3.12Å; A165-L313 HydrophobicContact CB-CD2 4.45Å; A166-L313 HydrophobicContact CB-CD2 4.13Å; L195-L313 HydrophobicContact CD2-CD1 4.19Å; A207-L313 HydrophobicContact CB-CD1 3.99Å; A207-L313 HydrophobicContact CB-CD2 4.49Å; A207-L313 HydrophobicContact CB-CG 4.48Å; V305-L313 HydrophobicContact CB-CB 4.28Å; V305-L313 WeakPolarHBondContact CB-O 3.4Å; V305-L313 PolarHBondContact N-O 3Å; V305-L313 PolarHBondContact O-N 3.25Å; Y307-L313 HydrophobicContact CD1-CB 3.76Å; Y307-L313 HydrophobicContact CE1-CB 3.71Å; L313-V315 HydrophobicContact CD2-CG2 3.98Å; L313-V315 HydrophobicContact CG-CG2 3.98Å |
| 314 | Y | 93.9 | Very high | 91.6 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.7 | 172.1 | -63.8 | -80.4 | 0 | 0 | 0 | 109.3 | D205 H206 A207 V295 T302 L303 E304 | D205-Y314 WeakPolarHBondContact O-CD2 3.43Å; D205-Y314 PolarHBondContact O-N 2.69Å; H206-Y314 CarbonylContact C-O 3.17Å; H206-Y314 VanDerWaalsContact CA-O 3.32Å; H206-Y314 WeakPolarHBondContact CA-O 3.39Å; A207-Y314 PolarHBondContact N-O 3.06Å; V295-Y314 HydrophobicContact CG2-CD1 4.39Å; V295-Y314 HydrophobicContact CG2-CE1 4.42Å; T302-Y314 HydrophobicContact CG2-CD1 4.23Å; L303-Y314 CarbonylContact O-C 3.56Å; L303-Y314 VanDerWaalsContact O-CA 3.32Å; L303-Y314 WeakPolarHBondContact O-CA 3.31Å; E304-Y314 HydrophobicContact CB-CD1 4.2Å; E304-Y314 HydrophobicContact CB-CE1 3.92Å; E304-Y314 HydrophobicContact CG-CD1 4.45Å; E304-Y314 HydrophobicContact CG-CE1 3.86Å |
| 315 | V | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.2 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | A207 L209 T302 L303 V305 L313 F317 | A207-V315 HydrophobicContact CB-CG2 4.32Å; A207-V315 WeakPolarHBondContact O-CA 3.24Å; L209-V315 HydrophobicContact CB-CG1 4.29Å; T302-V315 WeakPolarHBondContact CA-O 3.38Å; L303-V315 HydrophobicContact CB-CB 4.49Å; L303-V315 PolarHBondContact N-O 2.97Å; L303-V315 PolarHBondContact O-N 2.77Å; V305-V315 HydrophobicContact CG2-CG2 3.97Å; L313-V315 HydrophobicContact CD2-CG2 3.98Å; L313-V315 HydrophobicContact CG-CG2 3.98Å; V315-F317 HydrophobicContact CG1-CE2 4.21Å; V315-F317 HydrophobicContact CG1-CZ 4.08Å; V315-F317 WeakPolarHBondContact O-CE2 3.41Å |
| 316 | D | 92.1 | Very high | 90.8 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.2 | 176.6 | -77.2 | -2.6 | 0 | 0 | 0 | 111.4 | H206 A207 Q208 L209 L301 T302 | H206-D316 IonicContact CE1-OD1 3.52Å; H206-D316 IonicContact CE1-OD2 3.32Å; H206-D316 PolarHBondContact CE1-OD2 3.44Å; H206-D316 IonicContact NE2-OD2 3.9Å; H206-D316 PolarHBondContact NE2-OD2 3.45Å; A207-D316 PolarHBondContact O-N 2.95Å; Q208-D316 CarbonylContact C-O 3.6Å; Q208-D316 WeakPolarHBondContact CA-O 3.4Å; Q208-D316 HydrophobicContact CG-CB 4.48Å; L209-D316 PolarHBondContact N-O 3.25Å; L301-D316 CarbonylContact O-C 3.6Å; L301-D316 WeakPolarHBondContact O-CA 3.28Å; T302-D316 WeakPolarHBondContact CB-OD1 3.48Å; T302-D316 WeakPolarHBondContact CG2-OD1 3.26Å; T302-D316 PolarHBondContact OG1-OD1 2.89Å |
| 317 | F | 90.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120.6 | 172.9 | -60.2 | -93 | 0 | 0 | 0 | 109.7 | L173 L209 V211 L301 L303 V315 P319 | L173-F317 HydrophobicContact CD1-CD1 4.24Å; L173-F317 HydrophobicContact CD1-CE1 3.09Å; L173-F317 HydrophobicContact CD1-CZ 3.28Å; L209-F317 HydrophobicContact CB-CD1 4Å; L209-F317 HydrophobicContact CB-CE1 4.02Å; L209-F317 HydrophobicContact CD2-CD1 3.75Å; L209-F317 HydrophobicContact CD2-CE1 3.42Å; L209-F317 VanDerWaalsContact CD2-CE1 3.42Å; L209-F317 HydrophobicContact CD2-CZ 4.49Å; L209-F317 HydrophobicContact CG-CD1 4.48Å; L209-F317 HydrophobicContact CG-CE1 4.32Å; V211-F317 HydrophobicContact CG2-CD1 4.29Å; L301-F317 HydrophobicContact CB-CB 3.77Å; L301-F317 HydrophobicContact CB-CD2 4.22Å; L301-F317 HydrophobicContact CB-CG 4.39Å; L301-F317 HydrophobicContact CD1-CB 4.24Å; L301-F317 WeakPolarHBondContact O-CD2 3.4Å; L301-F317 PolarHBondContact O-N 3.19Å; L303-F317 HydrophobicContact CB-CE2 4.19Å; L303-F317 HydrophobicContact CD1-CE2 3.37Å; L303-F317 HydrophobicContact CD1-CZ 3.4Å; L303-F317 VanDerWaalsContact CD1-CZ 3.4Å; L303-F317 HydrophobicContact CG-CD2 4.48Å; L303-F317 HydrophobicContact CG-CE2 3.49Å; L303-F317 VanDerWaalsContact CG-CE2 3.49Å; L303-F317 HydrophobicContact CG-CZ 4.08Å; V315-F317 HydrophobicContact CG1-CE2 4.21Å; V315-F317 HydrophobicContact CG1-CZ 4.08Å; V315-F317 WeakPolarHBondContact O-CE2 3.41Å; F317-P319 WeakPolarHBondContact O-CD 3.44Å |
| 318 | L | 93.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 97.9 | -178.2 | -63.5 | 178.4 | 0 | 0 | 0 | 109.5 | Q208 L209 M210 V211 L320 | Q208-L318 HydrophobicContact CB-CD1 4.14Å; Q208-L318 HydrophobicContact CG-CD1 4.15Å; L209-L318 PolarHBondContact O-N 3.4Å; M210-L318 HydrophobicContact CE-CB 4.25Å; M210-L318 HydrophobicContact SD-CB 4.07Å; M210-L318 HydrophobicContact SD-CD1 4.17Å; V211-L318 PolarHBondContact N-O 3.39Å; L318-L320 PolarHBondContact O-N 2.95Å |
| 319 | P | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 129.6 | 166.9 | -22.3 | 31.1 | 0 | 0 | 0 | 110.5 | V211 L213 V267 L268 F271 F317 I330 A331 | V211-P319 WeakPolarHBondContact O-CA 3.5Å; L213-P319 HydrophobicContact CD1-CB 4.06Å; L213-P319 HydrophobicContact CD2-CB 4.44Å; L213-P319 HydrophobicContact CG-CB 4.39Å; V267-P319 HydrophobicContact CG1-CB 3.97Å; V267-P319 HydrophobicContact CG1-CG 4.13Å; L268-P319 HydrophobicContact CD2-CG 3.96Å; F271-P319 HydrophobicContact CD2-CG 3.96Å; F271-P319 HydrophobicContact CE2-CB 4.31Å; F271-P319 HydrophobicContact CE2-CG 4.08Å; F317-P319 WeakPolarHBondContact O-CD 3.44Å; P319-I330 CarbonylContact O-C 3.55Å; P319-I330 WeakPolarHBondContact O-CA 3.49Å; P319-A331 HydrophobicContact CB-CB 3.81Å; P319-A331 HydrophobicContact CG-CB 3.95Å; P319-A331 PolarHBondContact O-N 3.41Å |
| 320 | L | 95.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.9 | -172.6 | 171.4 | 70 | 0 | 0 | 0 | 110.1 | Y190 M210 V211 P212 L213 L318 V322 L329 I330 | Y190-L320 HydrophobicContact CE1-CD2 4.4Å; Y190-L320 VanDerWaalsContact OH-CD2 3.24Å; Y190-L320 WeakPolarHBondContact OH-CD2 3.36Å; M210-L320 HydrophobicContact CB-CD2 4.48Å; M210-L320 HydrophobicContact CE-CB 3.96Å; M210-L320 HydrophobicContact CE-CD1 4.08Å; M210-L320 HydrophobicContact CE-CD2 3.94Å; M210-L320 HydrophobicContact CE-CG 4.21Å; V211-L320 PolarHBondContact O-N 2.89Å; P212-L320 CarbonylContact C-O 3.59Å; P212-L320 WeakPolarHBondContact CA-O 3.21Å; P212-L320 HydrophobicContact CB-CD2 4.43Å; L213-L320 PolarHBondContact N-O 2.99Å; L318-L320 PolarHBondContact O-N 2.95Å; L320-V322 HydrophobicContact CD2-CG2 4.15Å; L320-V322 HydrophobicContact CG-CG2 4.16Å; L320-L329 CarbonylContact C-O 3.57Å; L320-L329 WeakPolarHBondContact CA-O 3.46Å; L320-I330 HydrophobicContact CD1-CG2 3.79Å |
| 321 | L | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135 | 166.3 | -54.8 | 172.1 | 0 | 0 | 0 | 108.7 | L213 L215 V238 L262 S328 L329 W345 | L213-L321 HydrophobicContact CB-CD2 3.76Å; L213-L321 HydrophobicContact CD1-CD2 3.99Å; L213-L321 HydrophobicContact CG-CD2 4.23Å; L215-L321 HydrophobicContact CD1-CD1 4.14Å; L215-L321 HydrophobicContact CD1-CD2 3.88Å; L215-L321 HydrophobicContact CD1-CG 4.47Å; L215-L321 HydrophobicContact CD2-CD2 3.9Å; L215-L321 HydrophobicContact CG-CD2 3.74Å; V238-L321 HydrophobicContact CG2-CD1 3.87Å; L262-L321 HydrophobicContact CD2-CD1 4.08Å; L321-S328 CarbonylContact O-C 3.47Å; L321-S328 WeakPolarHBondContact O-CA 3.41Å; L321-L329 HydrophobicContact CB-CB 4.21Å; L321-L329 PolarHBondContact N-O 2.91Å; L321-L329 PolarHBondContact O-N 3.35Å; L321-W345 HydrophobicContact CD1-CD2 3.64Å; L321-W345 HydrophobicContact CD1-CE3 3.64Å; L321-W345 HydrophobicContact CD1-CG 4.46Å; L321-W345 HydrophobicContact CD1-CH2 3.6Å; L321-W345 HydrophobicContact CD1-CZ2 3.59Å; L321-W345 HydrophobicContact CD1-CZ3 3.61Å; L321-W345 HydrophobicContact CD2-CH2 4.36Å; L321-W345 HydrophobicContact CG-CD2 4.48Å; L321-W345 HydrophobicContact CG-CE3 3.98Å; L321-W345 HydrophobicContact CG-CH2 3.79Å; L321-W345 HydrophobicContact CG-CZ2 4.3Å; L321-W345 HydrophobicContact CG-CZ3 3.6Å |
| 322 | V | 93.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 39 Ų | 39 | 48% | 0.479 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 110.2 | 169.7 | -177 | 0 | 0 | 0 | 0 | 106.9 | L320 | L320-V322 HydrophobicContact CD2-CG2 4.15Å; L320-V322 HydrophobicContact CG-CG2 4.16Å |
| 323 | M | 90.7 | Very high | 92 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | trans | -75.2 | 164.7 | 179 | -57.7 | -54.6 | -55.8 | 0 | 0 | 110.6 | L215 D325 G326 T327 L329 | L215-M323 HydrophobicContact CD1-SD 4.32Å; M323-D325 WeakPolarHBondContact CB-OD1 3.4Å; M323-D325 PolarHBondContact O-N 3.02Å; M323-G326 PolarHBondContact O-N 3.27Å; M323-T327 PolarHBondContact N-O 3.47Å; M323-L329 HydrophobicContact CG-CD1 3.92Å; M323-L329 HydrophobicContact CG-CG 4.31Å; M323-L329 HydrophobicContact SD-CD1 4.12Å | ||
| 324 | E | 84.9 | Confident | 91.7 | Very high | 156 Ų | 156 | 35.4 Ų | 35.4 | 73% | 0.729 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -28.5 | -175.4 | -63.4 | -167.7 | 153.1 | 0 | 0 | 113.6 | G326 | E324-G326 PolarHBondContact O-N 2.77Š|
| 325 | D | 83.9 | Confident | 91.4 | Very high | 103 Ų | 103 | 35.9 Ų | 35.9 | 55% | 0.551 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 0.2 | 175.7 | 67.3 | -17.1 | 0 | 0 | 0 | 113.5 | M323 T327 | M323-D325 WeakPolarHBondContact CB-OD1 3.4Å; M323-D325 PolarHBondContact O-N 3.02Å; D325-T327 VanDerWaalsContact C-N 3.33Å; D325-T327 WeakPolarHBondContact OD1-CB 3.48Å; D325-T327 PolarHBondContact OD1-N 3.23Å; D325-T327 PolarHBondContact OD1-OG1 3.44Å; D325-T327 PolarHBondContact OD2-OG1 2.95Å |
| 326 | G | 85.9 | Confident | 90.9 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 53% | 0.526 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 85.4 | 1.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M323 E324 S328 | M323-G326 PolarHBondContact O-N 3.27Å; E324-G326 PolarHBondContact O-N 2.77Å; G326-S328 PolarHBondContact O-N 3.31Å |
| 327 | T | 91.5 | Very high | 90.2 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | trans | -66.9 | 122.1 | 177.4 | -64.8 | 0 | 0 | 0 | 0 | 110.4 | W236 M323 D325 L329 Q347 | W236-T327 HydrophobicContact CZ2-CG2 4.08Å; M323-T327 PolarHBondContact N-O 3.47Å; D325-T327 VanDerWaalsContact C-N 3.33Å; D325-T327 WeakPolarHBondContact OD1-CB 3.48Å; D325-T327 PolarHBondContact OD1-N 3.23Å; D325-T327 PolarHBondContact OD1-OG1 3.44Å; D325-T327 PolarHBondContact OD2-OG1 2.95Å; T327-L329 HydrophobicContact CG2-CD2 3.67Å; T327-L329 HydrophobicContact CG2-CG 4.16Å; T327-Q347 HydrophobicContact CG2-CG 4.13Å | ||
| 328 | S | 95 | Very high | 89.5 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.7 | 178.4 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | L321 G326 Q347 S348 | L321-S328 CarbonylContact O-C 3.47Å; L321-S328 WeakPolarHBondContact O-CA 3.41Å; G326-S328 PolarHBondContact O-N 3.31Å; S328-Q347 CarbonylContact O-C 3.55Å; S328-Q347 WeakPolarHBondContact O-CA 3.31Å; S328-S348 PolarHBondContact O-N 3.41Å |
| 329 | L | 96.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.2 | -177.9 | -55.8 | -180 | 0 | 0 | 0 | 110.7 | W236 V238 L320 L321 M323 T327 W345 R346 Q347 | W236-L329 HydrophobicContact CB-CD1 3.88Å; W236-L329 HydrophobicContact CB-CD2 3.75Å; W236-L329 HydrophobicContact CB-CG 4.48Å; W236-L329 HydrophobicContact CD2-CD2 4.21Å; W236-L329 HydrophobicContact CG-CD1 4.33Å; W236-L329 HydrophobicContact CG-CD2 3.51Å; V238-L329 HydrophobicContact CG2-CD1 3.87Å; L320-L329 CarbonylContact C-O 3.57Å; L320-L329 WeakPolarHBondContact CA-O 3.46Å; L321-L329 HydrophobicContact CB-CB 4.21Å; L321-L329 PolarHBondContact N-O 2.91Å; L321-L329 PolarHBondContact O-N 3.35Å; M323-L329 HydrophobicContact CG-CD1 3.92Å; M323-L329 HydrophobicContact CG-CG 4.31Å; M323-L329 HydrophobicContact SD-CD1 4.12Å; T327-L329 HydrophobicContact CG2-CD2 3.67Å; T327-L329 HydrophobicContact CG2-CG 4.16Å; L329-W345 HydrophobicContact CB-CB 4Å; L329-W345 HydrophobicContact CB-CE3 4.24Å; L329-W345 HydrophobicContact CD1-CB 4.28Å; L329-R346 CarbonylContact C-O 3.54Å; L329-R346 WeakPolarHBondContact CA-O 3.29Å; L329-Q347 HydrophobicContact CD2-CB 4.23Å |
| 330 | I | 95.5 | Very high | 87.9 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 144 | 179.8 | 61 | 172.9 | 0 | 0 | 0 | 111.5 | M210 P319 L320 K332 R346 | M210-I330 HydrophobicContact CE-CG2 3.79Å; P319-I330 CarbonylContact O-C 3.55Å; P319-I330 WeakPolarHBondContact O-CA 3.49Å; L320-I330 HydrophobicContact CD1-CG2 3.79Å; I330-K332 HydrophobicContact CD1-CB 4.04Å; I330-K332 HydrophobicContact CG1-CB 4.16Å; I330-K332 PolarHBondContact O-N 3.37Å; I330-R346 HydrophobicContact CG1-CB 3.98Å; I330-R346 HydrophobicContact CG1-CG 4.29Å; I330-R346 WeakPolarHBondContact CG1-O 3.49Å; I330-R346 PolarHBondContact N-O 3.44Å; I330-R346 PolarHBondContact O-N 2.83Å |
| 331 | A | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -77.5 | 74.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P264 L268 P319 W345 | P264-A331 HydrophobicContact CB-CB 3.7Å; L268-A331 HydrophobicContact CD1-CB 4.34Å; L268-A331 HydrophobicContact CD2-CB 4.2Å; L268-A331 HydrophobicContact CG-CB 4.06Å; P319-A331 HydrophobicContact CB-CB 3.81Å; P319-A331 HydrophobicContact CG-CB 3.95Å; P319-A331 PolarHBondContact O-N 3.41Å; A331-W345 HydrophobicContact CB-CE3 4.22Å; A331-W345 HydrophobicContact CB-CH2 4.03Å; A331-W345 HydrophobicContact CB-CZ3 3.69Å | ||
| 332 | K | 90.6 | Very high | 86.7 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | trans | -125.5 | 114.9 | 171.9 | -176.1 | 172.1 | -176 | 168.6 | 0 | 109.1 | I330 R346 | I330-K332 HydrophobicContact CD1-CB 4.04Å; I330-K332 HydrophobicContact CG1-CB 4.16Å; I330-K332 PolarHBondContact O-N 3.37Å; K332-R346 PolarHBondContact O-NE 3.25Å | ||
| 333 | P | 86.7 | Confident | 86.5 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 25% | 0.253 | 32% | 0.316 | S | S | . | . | trans | -62 | 158.8 | -174 | 25.5 | -33.7 | 0 | 0 | 0 | 112.1 | A338 R346 | P333-A338 HydrophobicContact CB-CB 4.04Å; P333-R346 PolarHBondContact O-NH2 3.37Å | ||
| 334 | H | 87.8 | Confident | 86.6 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 6% | 0.06 | 31% | 0.312 | C | S | . | . | trans | -77.4 | 122.3 | 171.8 | -173.7 | -67.6 | 0 | 0 | 0 | 109.6 | F235 L336 A337 A338 E445 | F235-H334 HydrophobicContact CE1-CB 3.91Å; F235-H334 AromaticContact CE2-CD2 3.54Å; F235-H334 HydrophobicContact CZ-CB 4Å; F235-H334 AromaticContact CZ-CD2 3.36Å; F235-H334 WeakPolarHBondContact CZ-CD2 3.17Å; F235-H334 AromaticContact CZ-CG 3.98Å; H334-L336 PolarHBondContact ND1-N 2.74Å; H334-L336 PolarHBondContact O-N 2.78Å; H334-A337 HydrophobicContact CB-CB 4.39Å; H334-A337 PolarHBondContact ND1-N 3.32Å; H334-A337 CarbonylContact O-C 3.44Å; H334-A337 PolarHBondContact O-N 3.11Å; H334-A337 VanDerWaalsContact O-N 3.11Å; H334-A338 WeakPolarHBondContact O-CA 3.48Å; H334-A338 WeakPolarHBondContact O-CB 3.39Å; H334-A338 PolarHBondContact O-N 3.38Å; H334-E445 WeakPolarHBondContact CA-OE1 3.17Å; H334-E445 IonicContact CG-OE1 2.64Å; H334-E445 IonicContact ND1-OE1 3.79Å | ||
| 335 | R | 86.9 | Confident | 87.2 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -46 | -169.4 | -169.1 | -175.7 | 72.7 | 118.2 | -0.9 | 113.7 | E445 E450 | R335-E445 HydrophobicContact CB-CB 4.35Å; R335-E445 VanDerWaalsContact CZ-O 3.22Å; R335-E445 PolarHBondContact N-OE1 3.44Å; R335-E445 PolarHBondContact NE-O 3.03Å; R335-E445 PolarHBondContact NH2-O 3.37Å; R335-E450 IonicContact CZ-OE1 2.88Å; R335-E450 IonicContact CZ-OE2 2.61Å; R335-E450 IonicContact NH1-OE1 2.83Å; R335-E450 PolarHBondContact NH1-OE1 2.94Å; R335-E450 IonicContact NH1-OE2 2.85Å; R335-E450 IonicContact NH2-OE1 3Å; R335-E450 PolarHBondContact NH2-OE1 2.84Å; R335-E450 IonicContact NH2-OE2 3.18Å; R335-E450 PolarHBondContact NH2-OE2 3.34Å |
| 336 | L | 83.6 | Confident | 87.7 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10 | -175.8 | -60.3 | 177.3 | 0 | 0 | 0 | 114.2 | H334 T447 | H334-L336 PolarHBondContact ND1-N 2.74Å; H334-L336 PolarHBondContact O-N 2.78Å; L336-T447 HydrophobicContact CD2-CG2 3.9Å |
| 337 | A | 78.3 | Confident | 88.2 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.6 | 20.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H334 E339 R340 H341 | H334-A337 HydrophobicContact CB-CB 4.39Å; H334-A337 PolarHBondContact ND1-N 3.32Å; H334-A337 CarbonylContact O-C 3.44Å; H334-A337 PolarHBondContact O-N 3.11Å; H334-A337 VanDerWaalsContact O-N 3.11Å; A337-E339 PolarHBondContact O-N 3.39Å; A337-R340 PolarHBondContact O-N 3.39Å; A337-H341 WeakPolarHBondContact CB-CD2 3.43Å; A337-H341 PolarHBondContact O-N 3.03Å |
| 338 | A | 75.2 | Confident | 88.3 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -41.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | P333 H334 E342 | P333-A338 HydrophobicContact CB-CB 4.04Å; H334-A338 WeakPolarHBondContact O-CA 3.48Å; H334-A338 WeakPolarHBondContact O-CB 3.39Å; H334-A338 PolarHBondContact O-N 3.38Å; A338-E342 WeakPolarHBondContact O-CG 3.29Å |
| 339 | E | 74.6 | Confident | 88.2 | Confident | 170 Ų | 170 | 50.4 Ų | 50.4 | 79% | 0.794 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.5 | 178.6 | -61.3 | -176.5 | 169.5 | 0 | 0 | 113.8 | A337 | A337-E339 PolarHBondContact O-N 3.39Š|
| 340 | R | 78.7 | Confident | 88 | Confident | 218 Ų | 218 | 52.5 Ų | 52.5 | 82% | 0.823 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -27 | -178.4 | -66.5 | -176.4 | -177.5 | 175.7 | 1.9 | 112.4 | A337 | A337-R340 PolarHBondContact O-N 3.39Š|
| 341 | H | 81.8 | Confident | 87.9 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 22% | 0.222 | 27% | 0.27 | C | S | . | . | trans | -128.1 | 49.6 | -171.3 | -57.3 | -34.5 | 0 | 0 | 0 | 111.2 | M230 A337 N343 L344 | M230-H341 HydrophobicContact SD-CB 4.22Å; M230-H341 PolarHBondContact SD-ND1 3.4Å; A337-H341 WeakPolarHBondContact CB-CD2 3.43Å; A337-H341 PolarHBondContact O-N 3.03Å; H341-N343 PolarHBondContact O-N 2.94Å; H341-L344 HydrophobicContact CB-CB 4.38Å; H341-L344 HydrophobicContact CB-CD1 3.59Å; H341-L344 HydrophobicContact CB-CG 3.92Å; H341-L344 PolarHBondContact O-N 3.46Å; H341-L344 VanDerWaalsContact O-N 3.14Å | ||
| 342 | E | 84.2 | Confident | 87.8 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.1 | -177 | -57.3 | -172.9 | 155.4 | 0 | 0 | 113.9 | S263 P264 K265 A338 | S263-E342 PolarHBondContact OG-O 2.91Å; S263-E342 VanDerWaalsContact OG-O 3.07Å; P264-E342 WeakPolarHBondContact CD-O 3.45Å; P264-E342 WeakPolarHBondContact CG-O 3.37Å; K265-E342 HydrophobicContact CB-CB 4.33Å; K265-E342 HydrophobicContact CD-CB 4.07Å; K265-E342 HydrophobicContact CD-CG 3.89Å; K265-E342 IonicContact NZ-OE1 3.93Å; K265-E342 PolarHBondContact NZ-OE1 3.3Å; K265-E342 IonicContact NZ-OE2 3.78Å; A338-E342 WeakPolarHBondContact O-CG 3.29Å |
| 343 | N | 90.6 | Very high | 88 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.5 | -177.2 | -66.3 | -18.9 | 0 | 0 | 0 | 113.8 | L237 V258 S263 H341 W345 | L237-N343 HydrophobicContact CD2-CB 3.65Å; L237-N343 WeakPolarHBondContact CD2-O 3.42Å; V258-N343 PolarHBondContact O-ND2 3.13Å; S263-N343 WeakPolarHBondContact CB-OD1 3.21Å; S263-N343 PolarHBondContact OG-OD1 2.85Å; H341-N343 PolarHBondContact O-N 2.94Å; N343-W345 PolarHBondContact O-N 2.88Å |
| 344 | L | 93.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 116.2 | -175.5 | -76.6 | -175.6 | 0 | 0 | 0 | 112 | M230 I232 F235 L237 P264 H341 | M230-L344 HydrophobicContact CE-CD1 4.39Å; M230-L344 HydrophobicContact CE-CD2 3.38Å; M230-L344 HydrophobicContact CE-CG 3.95Å; M230-L344 HydrophobicContact SD-CD1 3.77Å; M230-L344 HydrophobicContact SD-CD2 3.85Å; M230-L344 HydrophobicContact SD-CG 3.71Å; I232-L344 HydrophobicContact CD1-CD1 3.92Å; F235-L344 HydrophobicContact CB-CB 4.24Å; F235-L344 HydrophobicContact CB-CD1 4.03Å; F235-L344 HydrophobicContact CB-CD2 4.03Å; F235-L344 HydrophobicContact CB-CG 4.35Å; F235-L344 HydrophobicContact CD1-CB 3.99Å; F235-L344 HydrophobicContact CD1-CD1 4.42Å; F235-L344 HydrophobicContact CG-CB 4.5Å; F235-L344 HydrophobicContact CG-CD1 4.33Å; L237-L344 HydrophobicContact CD2-CD2 3.98Å; L237-L344 HydrophobicContact CG-CD2 4.15Å; P264-L344 WeakPolarHBondContact CG-O 3.32Å; H341-L344 HydrophobicContact CB-CB 4.38Å; H341-L344 HydrophobicContact CB-CD1 3.59Å; H341-L344 HydrophobicContact CB-CG 3.92Å; H341-L344 PolarHBondContact O-N 3.46Å; H341-L344 VanDerWaalsContact O-N 3.14Å |
| 345 | W | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 143.9 | 166.4 | -68.4 | 76.2 | 0 | 0 | 0 | 110.2 | L213 F235 W236 V238 L262 P264 V267 L321 L329 A331 N343 | L213-W345 HydrophobicContact CD1-CH2 4.18Å; F235-W345 CarbonylContact C-O 3.39Å; F235-W345 WeakPolarHBondContact CA-O 3.48Å; W236-W345 PolarHBondContact N-O 3.38Å; W236-W345 PolarHBondContact O-N 3.19Å; V238-W345 HydrophobicContact CG2-CG 4.11Å; L262-W345 HydrophobicContact CD2-CZ2 3.94Å; L262-W345 HydrophobicContact CG-CZ2 3.97Å; L262-W345 PolarHBondContact O-NE1 3Å; P264-W345 HydrophobicContact CB-CD2 3.94Å; P264-W345 HydrophobicContact CB-CE3 4.34Å; P264-W345 HydrophobicContact CB-CG 4.35Å; P264-W345 HydrophobicContact CB-CH2 4.35Å; P264-W345 HydrophobicContact CB-CZ2 3.95Å; P264-W345 HydrophobicContact CG-CD2 4.37Å; P264-W345 HydrophobicContact CG-CG 4.27Å; V267-W345 HydrophobicContact CG1-CH2 4.47Å; V267-W345 HydrophobicContact CG2-CH2 4.36Å; V267-W345 HydrophobicContact CG2-CZ2 4.17Å; L321-W345 HydrophobicContact CD1-CD2 3.64Å; L321-W345 HydrophobicContact CD1-CE3 3.64Å; L321-W345 HydrophobicContact CD1-CG 4.46Å; L321-W345 HydrophobicContact CD1-CH2 3.6Å; L321-W345 HydrophobicContact CD1-CZ2 3.59Å; L321-W345 HydrophobicContact CD1-CZ3 3.61Å; L321-W345 HydrophobicContact CD2-CH2 4.36Å; L321-W345 HydrophobicContact CG-CD2 4.48Å; L321-W345 HydrophobicContact CG-CE3 3.98Å; L321-W345 HydrophobicContact CG-CH2 3.79Å; L321-W345 HydrophobicContact CG-CZ2 4.3Å; L321-W345 HydrophobicContact CG-CZ3 3.6Å; L329-W345 HydrophobicContact CB-CB 4Å; L329-W345 HydrophobicContact CB-CE3 4.24Å; L329-W345 HydrophobicContact CD1-CB 4.28Å; A331-W345 HydrophobicContact CB-CE3 4.22Å; A331-W345 HydrophobicContact CB-CH2 4.03Å; A331-W345 HydrophobicContact CB-CZ3 3.69Å; N343-W345 PolarHBondContact O-N 2.88Å |
| 346 | R | 95.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 15% | 0.151 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.8 | 178.8 | 177.5 | -175.1 | -60 | -94.1 | 4.7 | 110.6 | F235 L329 I330 K332 P333 S348 E445 | F235-R346 HydrophobicContact CD1-CB 4.11Å; F235-R346 HydrophobicContact CE1-CB 3.91Å; F235-R346 HydrophobicContact CE1-CG 4.24Å; F235-R346 HydrophobicContact CZ-CG 4.49Å; F235-R346 VanDerWaalsContact CZ-CZ 3.45Å; L329-R346 CarbonylContact C-O 3.54Å; L329-R346 WeakPolarHBondContact CA-O 3.29Å; I330-R346 HydrophobicContact CG1-CB 3.98Å; I330-R346 HydrophobicContact CG1-CG 4.29Å; I330-R346 WeakPolarHBondContact CG1-O 3.49Å; I330-R346 PolarHBondContact N-O 3.44Å; I330-R346 PolarHBondContact O-N 2.83Å; K332-R346 PolarHBondContact O-NE 3.25Å; P333-R346 PolarHBondContact O-NH2 3.37Å; R346-S348 PolarHBondContact O-N 3.19Å; R346-E445 IonicContact CZ-OE1 2.68Å; R346-E445 IonicContact CZ-OE2 3.01Å; R346-E445 VanDerWaalsContact CZ-OE2 3.26Å; R346-E445 IonicContact NH1-OE1 3.96Å; R346-E445 IonicContact NH1-OE2 3.64Å; R346-E445 PolarHBondContact NH1-OE2 3.11Å; R346-E445 IonicContact NH2-OE1 3.75Å; R346-E445 PolarHBondContact NH2-OE1 3.22Å; R346-E445 IonicContact NH2-OE2 2.68Å; R346-E445 PolarHBondContact NH2-OE2 3.04Å |
| 347 | Q | 95.8 | Very high | 89.7 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.6 | 171.3 | -168.6 | 170.7 | 7.5 | 0 | 0 | 110.8 | G234 T327 S328 L329 F349 | G234-Q347 VanDerWaalsContact O-CB 3.3Å; G234-Q347 WeakPolarHBondContact O-CB 3.46Å; G234-Q347 PolarHBondContact O-N 2.69Å; T327-Q347 HydrophobicContact CG2-CG 4.13Å; S328-Q347 CarbonylContact O-C 3.55Å; S328-Q347 WeakPolarHBondContact O-CA 3.31Å; L329-Q347 HydrophobicContact CD2-CB 4.23Å; Q347-F349 HydrophobicContact CB-CE2 3.98Å; Q347-F349 HydrophobicContact CB-CZ 4.1Å; Q347-F349 HydrophobicContact CG-CE1 4.02Å; Q347-F349 HydrophobicContact CG-CE2 3.9Å; Q347-F349 HydrophobicContact CG-CZ 3.61Å; Q347-F349 VanDerWaalsContact OE1-CZ 3.26Å |
| 348 | S | 94.3 | Very high | 90.4 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 120.7 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | S328 R346 | S328-S348 PolarHBondContact O-N 3.41Å; R346-S348 PolarHBondContact O-N 3.19Å |
| 349 | F | 93.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | trans | -103 | -8.5 | 176 | -63.5 | -76.2 | 0 | 0 | 0 | 113.1 | Q347 V351 A352 E353 L436 N437 V440 | Q347-F349 HydrophobicContact CB-CE2 3.98Å; Q347-F349 HydrophobicContact CB-CZ 4.1Å; Q347-F349 HydrophobicContact CG-CE1 4.02Å; Q347-F349 HydrophobicContact CG-CE2 3.9Å; Q347-F349 HydrophobicContact CG-CZ 3.61Å; Q347-F349 VanDerWaalsContact OE1-CZ 3.26Å; F349-V351 PolarHBondContact O-N 3.19Å; F349-A352 PolarHBondContact O-N 2.75Å; F349-E353 HydrophobicContact CB-CG 3.98Å; F349-E353 VanDerWaalsContact CB-OE1 3.32Å; F349-E353 WeakPolarHBondContact CB-OE1 3.36Å; F349-E353 WeakPolarHBondContact O-CG 3.4Å; F349-E353 PolarHBondContact O-N 2.77Å; F349-L436 HydrophobicContact CB-CD1 4.28Å; F349-L436 HydrophobicContact CD1-CB 4.28Å; F349-L436 HydrophobicContact CD1-CD1 4.38Å; F349-N437 HydrophobicContact CE1-CB 4.06Å; F349-N437 HydrophobicContact CZ-CB 4.09Å; F349-V440 HydrophobicContact CE2-CG2 4.23Å; F349-V440 HydrophobicContact CZ-CG2 4.12Å | ||
| 350 | R | 91.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -50.5 | -48.8 | -167.8 | -176.9 | -167 | 178.3 | 97.5 | 32.2 | 114.1 | G193 S194 D197 A352 E353 T354 | G193-R350 VanDerWaalsContact C-CZ 3.41Å; G193-R350 PolarHBondContact O-NH2 3.21Å; S194-R350 VanDerWaalsContact CA-NH2 3.29Å; S194-R350 PolarHBondContact OG-NH2 2.78Å; D197-R350 IonicContact OD2-CZ 3.8Å; D197-R350 IonicContact OD2-NE 3.29Å; D197-R350 IonicContact OD2-NH2 3.2Å; D197-R350 PolarHBondContact OD2-NH2 2.96Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 2.88Å; R350-E353 PolarHBondContact O-N 3.5Å; R350-T354 WeakPolarHBondContact O-CB 3.43Å; R350-T354 WeakPolarHBondContact O-CG2 3.46Å; R350-T354 PolarHBondContact O-N 3.17Å; R350-T354 PolarHBondContact O-OG1 3.37Å |
| 351 | V | 92.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 56% | 0.558 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.1 | -42.6 | -176.7 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | F349 T354 A355 | F349-V351 PolarHBondContact O-N 3.19Å; V351-T354 PolarHBondContact O-OG1 3.46Å; V351-A355 WeakPolarHBondContact O-CB 3.29Å; V351-A355 PolarHBondContact O-N 3.24Å |
| 352 | A | 93.5 | Very high | 93.7 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.8 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F349 R350 R356 L436 | F349-A352 PolarHBondContact O-N 2.75Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 2.88Å; A352-R356 VanDerWaalsContact O-CB 3.29Å; A352-R356 WeakPolarHBondContact O-CB 3.36Å; A352-R356 PolarHBondContact O-N 3.03Å; A352-L436 HydrophobicContact CB-CD1 3.42Å; A352-L436 VanDerWaalsContact CB-CD1 3.42Å |
| 353 | E | 94.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.023 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 176.6 | -72 | 169 | 171.6 | 0 | 0 | 111.5 | F349 R350 R356 L357 S391 T394 N395 L398 L436 | F349-E353 HydrophobicContact CB-CG 3.98Å; F349-E353 VanDerWaalsContact CB-OE1 3.32Å; F349-E353 WeakPolarHBondContact CB-OE1 3.36Å; F349-E353 WeakPolarHBondContact O-CG 3.4Å; F349-E353 PolarHBondContact O-N 2.77Å; R350-E353 PolarHBondContact O-N 3.5Å; E353-R356 PolarHBondContact O-N 2.85Å; E353-L357 WeakPolarHBondContact O-CB 3.15Å; E353-L357 PolarHBondContact O-N 3.42Å; E353-S391 PolarHBondContact OE1-OG 3.06Å; E353-S391 PolarHBondContact OE2-OG 3.49Å; E353-T394 HydrophobicContact CB-CG2 4.01Å; E353-N395 VanDerWaalsContact CD-ND2 3.28Å; E353-N395 PolarHBondContact OE1-ND2 2.85Å; E353-L398 HydrophobicContact CB-CD1 4.38Å; E353-L398 HydrophobicContact CG-CD1 4.48Å; E353-L436 HydrophobicContact CG-CD1 3.85Å |
| 354 | T | 94.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -37.4 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | L199 R350 V351 R358 Y369 | L199-T354 HydrophobicContact CD1-CG2 3.84Å; R350-T354 WeakPolarHBondContact O-CB 3.43Å; R350-T354 WeakPolarHBondContact O-CG2 3.46Å; R350-T354 PolarHBondContact O-N 3.17Å; R350-T354 PolarHBondContact O-OG1 3.37Å; V351-T354 PolarHBondContact O-OG1 3.46Å; T354-R358 VanDerWaalsContact O-CB 3.3Å; T354-R358 WeakPolarHBondContact O-CB 3.45Å; T354-R358 PolarHBondContact O-N 2.83Å; T354-Y369 PolarHBondContact O-OH 2.98Å |
| 355 | A | 94.4 | Very high | 94.1 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | V351 R358 A359 | V351-A355 WeakPolarHBondContact O-CB 3.29Å; V351-A355 PolarHBondContact O-N 3.24Å; A355-R358 PolarHBondContact O-N 3.22Å; A355-A359 WeakPolarHBondContact O-CB 3.27Å; A355-A359 PolarHBondContact O-N 3.5Å |
| 356 | R | 95.2 | Very high | 94 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 50% | 0.502 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 176.5 | -177.7 | 58.8 | 173.6 | 167.1 | 2.3 | 111.5 | A352 E353 R358 A359 L360 L398 | A352-R356 VanDerWaalsContact O-CB 3.29Å; A352-R356 WeakPolarHBondContact O-CB 3.36Å; A352-R356 PolarHBondContact O-N 3.03Å; E353-R356 PolarHBondContact O-N 2.85Å; R356-R358 VanDerWaalsContact C-N 3.28Å; R356-R358 PolarHBondContact O-N 2.92Å; R356-A359 PolarHBondContact O-N 2.97Å; R356-L360 HydrophobicContact CG-CD1 4.46Å; R356-L360 WeakPolarHBondContact O-CG 3.48Å; R356-L360 PolarHBondContact O-N 2.91Å; R356-L360 VanDerWaalsContact O-N 3.1Å; R356-L398 HydrophobicContact CB-CD2 4.36Å; R356-L398 HydrophobicContact CG-CD2 3.92Å |
| 357 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 176.5 | -169.2 | 70.8 | 0 | 0 | 0 | 111.4 | E353 L360 D361 R368 Y369 L372 T394 I397 L398 | E353-L357 WeakPolarHBondContact O-CB 3.15Å; E353-L357 PolarHBondContact O-N 3.42Å; L357-L360 PolarHBondContact O-N 3.34Å; L357-D361 PolarHBondContact O-N 2.91Å; L357-R368 HydrophobicContact CD1-CB 3.7Å; L357-R368 HydrophobicContact CD1-CG 4.49Å; L357-R368 HydrophobicContact CG-CB 4.45Å; L357-Y369 HydrophobicContact CB-CE2 4.07Å; L357-Y369 HydrophobicContact CD2-CD2 3.87Å; L357-Y369 HydrophobicContact CD2-CE2 3.73Å; L357-Y369 HydrophobicContact CG-CD2 3.87Å; L357-Y369 HydrophobicContact CG-CE2 3.68Å; L357-L372 HydrophobicContact CD2-CD2 3.5Å; L357-L372 VanDerWaalsContact CD2-CD2 3.5Å; L357-T394 HydrophobicContact CD2-CG2 4.45Å; L357-I397 HydrophobicContact CD1-CG2 3.82Å; L357-L398 HydrophobicContact CB-CD2 4.26Å; L357-L398 HydrophobicContact CD1-CD2 4.04Å |
| 358 | R | 94.4 | Very high | 93.9 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 179.3 | -170.6 | 178.9 | -65.4 | 141.7 | 0.8 | 111.6 | D197 T354 A355 R356 L360 D361 Q362 Y369 | D197-R358 IonicContact OD1-NH2 3.72Å; T354-R358 VanDerWaalsContact O-CB 3.3Å; T354-R358 WeakPolarHBondContact O-CB 3.45Å; T354-R358 PolarHBondContact O-N 2.83Å; A355-R358 PolarHBondContact O-N 3.22Å; R356-R358 VanDerWaalsContact C-N 3.28Å; R356-R358 PolarHBondContact O-N 2.92Å; R358-L360 VanDerWaalsContact C-N 3.32Å; R358-L360 PolarHBondContact O-N 3.37Å; R358-D361 PolarHBondContact O-N 3.23Å; R358-Q362 HydrophobicContact CG-CG 4.38Å; R358-Q362 WeakPolarHBondContact O-CB 3.38Å; R358-Q362 VanDerWaalsContact O-CG 3.23Å; R358-Q362 WeakPolarHBondContact O-CG 3.32Å; R358-Q362 PolarHBondContact O-N 2.99Å; R358-Y369 HydrophobicContact CB-CE2 4.08Å |
| 359 | A | 95.4 | Very high | 93.9 | Very high | 43 Ų | 43 | 52.4 Ų | 52.4 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A355 R356 Q362 E363 | A355-A359 WeakPolarHBondContact O-CB 3.27Å; A355-A359 PolarHBondContact O-N 3.5Å; R356-A359 PolarHBondContact O-N 2.97Å; A359-Q362 PolarHBondContact O-N 3.11Å; A359-E363 WeakPolarHBondContact O-CB 3.35Å; A359-E363 PolarHBondContact O-N 3.43Å |
| 360 | L | 95.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 178.4 | -68.5 | 172.2 | 0 | 0 | 0 | 112 | R356 L357 R358 Q362 E363 D364 R368 L398 | R356-L360 HydrophobicContact CG-CD1 4.46Å; R356-L360 WeakPolarHBondContact O-CG 3.48Å; R356-L360 PolarHBondContact O-N 2.91Å; R356-L360 VanDerWaalsContact O-N 3.1Å; L357-L360 PolarHBondContact O-N 3.34Å; R358-L360 VanDerWaalsContact C-N 3.32Å; R358-L360 PolarHBondContact O-N 3.37Å; L360-Q362 VanDerWaalsContact C-N 3.3Å; L360-Q362 PolarHBondContact O-N 3.3Å; L360-E363 PolarHBondContact O-N 2.91Å; L360-D364 PolarHBondContact O-N 3.06Å; L360-R368 PolarHBondContact O-NH1 3.22Å; L360-L398 HydrophobicContact CD1-CD2 4.06Å |
| 361 | D | 94.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.3 | -26.4 | 178.4 | -84.7 | 1.7 | 0 | 0 | 0 | 113.3 | L357 R358 G365 G366 R368 Y369 | L357-D361 PolarHBondContact O-N 2.91Å; R358-D361 PolarHBondContact O-N 3.23Å; D361-G365 CarbonylContact O-C 3.56Å; D361-G365 WeakPolarHBondContact O-CA 3.26Å; D361-G365 PolarHBondContact O-N 2.89Å; D361-G366 PolarHBondContact O-N 2.84Å; D361-R368 WeakPolarHBondContact OD1-CB 3.29Å; D361-R368 WeakPolarHBondContact OD1-CD 3.4Å; D361-R368 WeakPolarHBondContact OD1-CG 3.37Å; D361-R368 IonicContact OD1-CZ 3.92Å; D361-R368 PolarHBondContact OD1-N 3.38Å; D361-R368 VanDerWaalsContact OD1-N 3.16Å; D361-R368 IonicContact OD1-NE 2.69Å; D361-R368 IonicContact OD1-NH1 3.2Å; D361-R368 PolarHBondContact OD1-NH1 2.98Å; D361-R368 WeakPolarHBondContact OD2-CB 3.49Å; D361-R368 PolarHBondContact OD2-N 3.31Å; D361-R368 VanDerWaalsContact OD2-N 3.16Å; D361-Y369 HydrophobicContact CB-CD2 4.38Å; D361-Y369 WeakPolarHBondContact OD2-CB 3.32Å; D361-Y369 VanDerWaalsContact OD2-CD2 3.28Å; D361-Y369 WeakPolarHBondContact OD2-CD2 3.48Å; D361-Y369 PolarHBondContact OD2-N 3.05Å |
| 362 | Q | 94.2 | Very high | 94.2 | Very high | 146 Ų | 146 | 45.1 Ų | 45.1 | 68% | 0.682 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -73.7 | -31 | 173.4 | -76.6 | 175.7 | -5.9 | 0 | 0 | 112.6 | R358 A359 L360 | R358-Q362 HydrophobicContact CG-CG 4.38Å; R358-Q362 WeakPolarHBondContact O-CB 3.38Å; R358-Q362 VanDerWaalsContact O-CG 3.23Å; R358-Q362 WeakPolarHBondContact O-CG 3.32Å; R358-Q362 PolarHBondContact O-N 2.99Å; A359-Q362 PolarHBondContact O-N 3.11Å; L360-Q362 VanDerWaalsContact C-N 3.3Å; L360-Q362 PolarHBondContact O-N 3.3Å |
| 363 | E | 93.8 | Very high | 94.3 | Very high | 162 Ų | 162 | 43.7 Ų | 43.7 | 76% | 0.757 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -71 | -43.2 | -178.7 | -175.6 | 174.7 | -177.8 | 0 | 0 | 112.1 | A359 L360 | A359-E363 WeakPolarHBondContact O-CB 3.35Å; A359-E363 PolarHBondContact O-N 3.43Å; L360-E363 PolarHBondContact O-N 2.91Å |
| 364 | D | 92.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -116.1 | -0.6 | -174.8 | 63.7 | 12.2 | 0 | 0 | 0 | 114.8 | L360 G366 R368 | L360-D364 PolarHBondContact O-N 3.06Å; D364-G366 PolarHBondContact O-N 3.34Å; D364-G366 VanDerWaalsContact OD1-CA 3.26Å; D364-G366 WeakPolarHBondContact OD1-CA 3.44Å; D364-G366 PolarHBondContact OD1-N 2.68Å; D364-R368 VanDerWaalsContact CG-NH1 3.31Å; D364-R368 IonicContact OD1-CZ 3.26Å; D364-R368 IonicContact OD1-NH1 3.17Å; D364-R368 PolarHBondContact OD1-NH1 3.03Å; D364-R368 IonicContact OD1-NH2 3.86Å; D364-R368 IonicContact OD2-CZ 3.98Å; D364-R368 VanDerWaalsContact OD2-CZ 3.29Å; D364-R368 IonicContact OD2-NH1 3.84Å; D364-R368 PolarHBondContact OD2-NH1 3.3Å; D364-R368 IonicContact OD2-NH2 3.29Å; D364-R368 PolarHBondContact OD2-NH2 3.01Å |
| 365 | G | 90.7 | Very high | 94.3 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 56% | 0.557 | 23% | 0.232 | S | C | * | . | trans | 67.2 | 26.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | D361 | D361-G365 CarbonylContact O-C 3.56Å; D361-G365 WeakPolarHBondContact O-CA 3.26Å; D361-G365 PolarHBondContact O-N 2.89Å | ||
| 366 | G | 92.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | trans | -68.6 | 173.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D361 D364 W407 | D361-G366 PolarHBondContact O-N 2.84Å; D364-G366 PolarHBondContact O-N 3.34Å; D364-G366 VanDerWaalsContact OD1-CA 3.26Å; D364-G366 WeakPolarHBondContact OD1-CA 3.44Å; D364-G366 PolarHBondContact OD1-N 2.68Å; G366-W407 CarbonylContact C-O 3.49Å; G366-W407 WeakPolarHBondContact CA-O 3.18Å | ||
| 367 | C | 93.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -104.2 | 20.6 | -178.3 | 69.1 | 0 | 0 | 0 | 0 | 114 | Y369 A370 C371 W407 T408 L412 | C367-Y369 PolarHBondContact O-N 3.14Å; C367-A370 HydrophobicContact CB-CB 4.36Å; C367-A370 PolarHBondContact O-N 2.91Å; C367-C371 WeakPolarHBondContact O-CB 3.48Å; C367-C371 PolarHBondContact O-N 3.46Å; C367-W407 PolarHBondContact N-O 2.87Å; C367-W407 PolarHBondContact SG-O 3.45Å; C367-T408 PolarHBondContact SG-O 3.22Å; C367-L412 HydrophobicContact CB-CD1 4.36Å |
| 368 | R | 95.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | -176.6 | -58.4 | 167.3 | -174.7 | 86 | -3.6 | 111.6 | L357 L360 D361 D364 C371 L372 I397 S401 W407 | L357-R368 HydrophobicContact CD1-CB 3.7Å; L357-R368 HydrophobicContact CD1-CG 4.49Å; L357-R368 HydrophobicContact CG-CB 4.45Å; L360-R368 PolarHBondContact O-NH1 3.22Å; D361-R368 WeakPolarHBondContact OD1-CB 3.29Å; D361-R368 WeakPolarHBondContact OD1-CD 3.4Å; D361-R368 WeakPolarHBondContact OD1-CG 3.37Å; D361-R368 IonicContact OD1-CZ 3.92Å; D361-R368 PolarHBondContact OD1-N 3.38Å; D361-R368 VanDerWaalsContact OD1-N 3.16Å; D361-R368 IonicContact OD1-NE 2.69Å; D361-R368 IonicContact OD1-NH1 3.2Å; D361-R368 PolarHBondContact OD1-NH1 2.98Å; D361-R368 WeakPolarHBondContact OD2-CB 3.49Å; D361-R368 PolarHBondContact OD2-N 3.31Å; D361-R368 VanDerWaalsContact OD2-N 3.16Å; D364-R368 VanDerWaalsContact CG-NH1 3.31Å; D364-R368 IonicContact OD1-CZ 3.26Å; D364-R368 IonicContact OD1-NH1 3.17Å; D364-R368 PolarHBondContact OD1-NH1 3.03Å; D364-R368 IonicContact OD1-NH2 3.86Å; D364-R368 IonicContact OD2-CZ 3.98Å; D364-R368 VanDerWaalsContact OD2-CZ 3.29Å; D364-R368 IonicContact OD2-NH1 3.84Å; D364-R368 PolarHBondContact OD2-NH1 3.3Å; D364-R368 IonicContact OD2-NH2 3.29Å; D364-R368 PolarHBondContact OD2-NH2 3.01Å; R368-C371 PolarHBondContact O-N 3.14Å; R368-L372 WeakPolarHBondContact O-CB 3.37Å; R368-L372 PolarHBondContact O-N 3.5Å; R368-I397 HydrophobicContact CB-CG2 3.96Å; R368-I397 HydrophobicContact CG-CG2 4.33Å; R368-S401 WeakPolarHBondContact CD-OG 3.21Å; R368-S401 PolarHBondContact NE-OG 3.11Å; R368-W407 HydrophobicContact CB-CE3 4.11Å; R368-W407 HydrophobicContact CB-CZ3 4.18Å; R368-W407 HydrophobicContact CG-CB 4.44Å; R368-W407 HydrophobicContact CG-CD2 3.41Å; R368-W407 VanDerWaalsContact CG-CD2 3.41Å; R368-W407 HydrophobicContact CG-CE3 3.27Å; R368-W407 HydrophobicContact CG-CG 3.95Å; R368-W407 HydrophobicContact CG-CH2 4.12Å; R368-W407 HydrophobicContact CG-CZ2 4.27Å; R368-W407 HydrophobicContact CG-CZ3 3.64Å; R368-W407 VanDerWaalsContact CZ-CD1 3.46Å; R368-W407 VanDerWaalsContact CZ-CG 3.45Å |
| 369 | Y | 93.4 | Very high | 94 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 173.6 | -97.2 | -107.8 | 0 | 0 | 0 | 112.1 | L199 T354 L357 R358 D361 C367 L372 K373 | L199-Y369 HydrophobicContact CD1-CE1 4.1Å; L199-Y369 HydrophobicContact CD2-CD1 3.33Å; L199-Y369 HydrophobicContact CD2-CE1 3.39Å; L199-Y369 HydrophobicContact CD2-CG 4.23Å; L199-Y369 HydrophobicContact CG-CD1 4.15Å; L199-Y369 HydrophobicContact CG-CE1 3.7Å; T354-Y369 PolarHBondContact O-OH 2.98Å; L357-Y369 HydrophobicContact CB-CE2 4.07Å; L357-Y369 HydrophobicContact CD2-CD2 3.87Å; L357-Y369 HydrophobicContact CD2-CE2 3.73Å; L357-Y369 HydrophobicContact CG-CD2 3.87Å; L357-Y369 HydrophobicContact CG-CE2 3.68Å; R358-Y369 HydrophobicContact CB-CE2 4.08Å; D361-Y369 HydrophobicContact CB-CD2 4.38Å; D361-Y369 WeakPolarHBondContact OD2-CB 3.32Å; D361-Y369 VanDerWaalsContact OD2-CD2 3.28Å; D361-Y369 WeakPolarHBondContact OD2-CD2 3.48Å; D361-Y369 PolarHBondContact OD2-N 3.05Å; C367-Y369 PolarHBondContact O-N 3.14Å; Y369-L372 PolarHBondContact O-N 3.35Å; Y369-K373 WeakPolarHBondContact O-CB 3.42Å; Y369-K373 WeakPolarHBondContact O-CG 3.38Å; Y369-K373 PolarHBondContact O-N 3.15Å |
| 370 | A | 93.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W145 Y148 C367 K373 A374 L412 | W145-A370 HydrophobicContact CH2-CB 4.23Å; Y148-A370 HydrophobicContact CE2-CB 4.16Å; C367-A370 HydrophobicContact CB-CB 4.36Å; C367-A370 PolarHBondContact O-N 2.91Å; A370-K373 PolarHBondContact O-N 3.44Å; A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.12Å; A370-L412 HydrophobicContact CB-CD1 4.43Å |
| 371 | C | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.6 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | C367 R368 K373 A374 A375 I397 W407 L412 | C367-C371 WeakPolarHBondContact O-CB 3.48Å; C367-C371 PolarHBondContact O-N 3.46Å; R368-C371 PolarHBondContact O-N 3.14Å; C371-K373 PolarHBondContact O-N 3.24Å; C371-A374 PolarHBondContact O-N 3.06Å; C371-A375 WeakPolarHBondContact O-CB 3.34Å; C371-A375 PolarHBondContact O-N 3.35Å; C371-I397 HydrophobicContact CB-CD1 4.45Å; C371-W407 HydrophobicContact CB-CZ3 4.39Å; C371-L412 HydrophobicContact CB-CD1 3.71Å |
| 372 | L | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 176.6 | 178.1 | 57.6 | 0 | 0 | 0 | 111.6 | L199 L357 R368 Y369 A375 K376 L393 T394 I397 | L199-L372 HydrophobicContact CD1-CD2 4.34Å; L199-L372 HydrophobicContact CD2-CD2 3.9Å; L357-L372 HydrophobicContact CD2-CD2 3.5Å; L357-L372 VanDerWaalsContact CD2-CD2 3.5Å; R368-L372 WeakPolarHBondContact O-CB 3.37Å; R368-L372 PolarHBondContact O-N 3.5Å; Y369-L372 PolarHBondContact O-N 3.35Å; L372-A375 PolarHBondContact O-N 3.07Å; L372-K376 HydrophobicContact CD1-CD 4.01Å; L372-K376 HydrophobicContact CD1-CG 4.06Å; L372-K376 HydrophobicContact CG-CD 4Å; L372-K376 HydrophobicContact CG-CG 4.43Å; L372-K376 WeakPolarHBondContact O-CB 3.34Å; L372-K376 VanDerWaalsContact O-CG 3.24Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å; L372-K376 PolarHBondContact O-N 3.06Å; L372-L393 HydrophobicContact CD1-CB 3.72Å; L372-T394 WeakPolarHBondContact CD2-OG1 3.36Å; L372-I397 HydrophobicContact CB-CD1 3.48Å; L372-I397 VanDerWaalsContact CB-CD1 3.48Å; L372-I397 HydrophobicContact CD1-CD1 3.93Å; L372-I397 HydrophobicContact CG-CD1 4.26Å |
| 373 | K | 95.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 179.8 | -77.8 | -177.3 | 67.6 | -176.4 | 0 | 111.5 | Y148 V152 N153 L199 V201 Y369 A370 C371 K376 A377 | Y148-K373 HydrophobicContact CE2-CB 3.81Å; Y148-K373 HydrophobicContact CE2-CD 4.25Å; Y148-K373 PolarHBondContact OH-NZ 3.08Å; V152-K373 HydrophobicContact CG1-CB 3.59Å; V152-K373 WeakPolarHBondContact CG1-O 3.44Å; N153-K373 PolarHBondContact OD1-NZ 3.29Å; L199-K373 HydrophobicContact CD2-CG 4.14Å; V201-K373 HydrophobicContact CG1-CB 3.81Å; V201-K373 HydrophobicContact CG1-CG 3.9Å; V201-K373 WeakPolarHBondContact CG1-O 3.41Å; Y369-K373 WeakPolarHBondContact O-CB 3.42Å; Y369-K373 WeakPolarHBondContact O-CG 3.38Å; Y369-K373 PolarHBondContact O-N 3.15Å; A370-K373 PolarHBondContact O-N 3.44Å; C371-K373 PolarHBondContact O-N 3.24Å; K373-K376 PolarHBondContact O-N 3.37Å; K373-A377 WeakPolarHBondContact O-CB 3.33Å; K373-A377 PolarHBondContact O-N 2.79Å |
| 374 | A | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A370 C371 K376 A377 A378 F416 | A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.12Å; C371-A374 PolarHBondContact O-N 3.06Å; A374-K376 PolarHBondContact O-N 3.5Å; A374-A377 PolarHBondContact O-N 3.11Å; A374-A378 WeakPolarHBondContact O-CB 3.41Å; A374-A378 PolarHBondContact O-N 3.5Å; A374-F416 HydrophobicContact CB-CE2 4.49Å |
| 375 | A | 94.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C371 L372 A378 C379 F416 L419 | C371-A375 WeakPolarHBondContact O-CB 3.34Å; C371-A375 PolarHBondContact O-N 3.35Å; L372-A375 PolarHBondContact O-N 3.07Å; A375-A378 PolarHBondContact O-N 2.91Å; A375-C379 PolarHBondContact O-N 3.34Å; A375-C379 PolarHBondContact O-SG 3.32Å; A375-F416 HydrophobicContact CB-CE2 4.24Å; A375-L419 HydrophobicContact CB-CD2 3.75Å |
| 376 | K | 94.8 | Very high | 92.6 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.6 | -76.3 | 177.7 | 63.4 | 165.4 | 0 | 112.1 | S194 L199 V201 L372 K373 A374 C379 K380 S390 L393 | S194-K376 PolarHBondContact OG-NZ 3.49Å; L199-K376 WeakPolarHBondContact O-CE 3.36Å; L199-K376 PolarHBondContact O-NZ 2.65Å; V201-K376 HydrophobicContact CG1-CB 4.22Å; V201-K376 HydrophobicContact CG2-CB 3.84Å; L372-K376 HydrophobicContact CD1-CD 4.01Å; L372-K376 HydrophobicContact CD1-CG 4.06Å; L372-K376 HydrophobicContact CG-CD 4Å; L372-K376 HydrophobicContact CG-CG 4.43Å; L372-K376 WeakPolarHBondContact O-CB 3.34Å; L372-K376 VanDerWaalsContact O-CG 3.24Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å; L372-K376 PolarHBondContact O-N 3.06Å; K373-K376 PolarHBondContact O-N 3.37Å; A374-K376 PolarHBondContact O-N 3.5Å; K376-C379 PolarHBondContact O-N 2.9Å; K376-K380 WeakPolarHBondContact O-CB 3.35Å; K376-K380 PolarHBondContact O-N 3Å; K376-S390 WeakPolarHBondContact CE-OG 3.42Å; K376-S390 PolarHBondContact NZ-OG 3.18Å; K376-S390 VanDerWaalsContact NZ-OG 3.09Å; K376-L393 HydrophobicContact CB-CD1 4.35Å; K376-L393 HydrophobicContact CG-CD1 3.67Å |
| 377 | A | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | F147 V152 V201 V202 K373 A374 C379 K380 L381 | F147-A377 HydrophobicContact CE1-CB 3.86Å; F147-A377 HydrophobicContact CZ-CB 3.75Å; V152-A377 HydrophobicContact CB-CB 4.25Å; V152-A377 HydrophobicContact CG1-CB 4.2Å; V152-A377 HydrophobicContact CG2-CB 3.61Å; V201-A377 HydrophobicContact CB-CB 4.13Å; V201-A377 HydrophobicContact CG2-CB 4.16Å; V202-A377 HydrophobicContact CG2-CB 4.1Å; K373-A377 WeakPolarHBondContact O-CB 3.33Å; K373-A377 PolarHBondContact O-N 2.79Å; A374-A377 PolarHBondContact O-N 3.11Å; A377-C379 VanDerWaalsContact C-N 3.31Å; A377-C379 PolarHBondContact O-N 3.3Å; A377-K380 PolarHBondContact O-N 3.25Å; A377-L381 WeakPolarHBondContact O-CB 3.5Å; A377-L381 WeakPolarHBondContact O-CD1 3.46Å; A377-L381 WeakPolarHBondContact O-CG 3.41Å; A377-L381 PolarHBondContact O-N 3.14Å |
| 378 | A | 92.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.9 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A374 A375 K380 L381 N382 | A374-A378 WeakPolarHBondContact O-CB 3.41Å; A374-A378 PolarHBondContact O-N 3.5Å; A375-A378 PolarHBondContact O-N 2.91Å; A378-K380 PolarHBondContact O-N 2.93Å; A378-L381 PolarHBondContact O-N 2.78Å; A378-N382 WeakPolarHBondContact O-CB 3.32Å; A378-N382 PolarHBondContact O-N 3.48Å; A378-N382 PolarHBondContact O-ND2 2.88Å |
| 379 | C | 92.8 | Very high | 92.2 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.068 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 176.9 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | A375 K376 A377 N382 L385 L393 | A375-C379 PolarHBondContact O-N 3.34Å; A375-C379 PolarHBondContact O-SG 3.32Å; K376-C379 PolarHBondContact O-N 2.9Å; A377-C379 VanDerWaalsContact C-N 3.31Å; A377-C379 PolarHBondContact O-N 3.3Å; C379-N382 VanDerWaalsContact O-O 3.05Å; C379-L385 HydrophobicContact CB-CB 4.11Å; C379-L393 HydrophobicContact CB-CD1 4.48Å |
| 380 | K | 91.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 32.7 Ų | 32.7 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.2 | -36.6 | 179.8 | -175.7 | 170.3 | 178.4 | 174.6 | 0 | 112.6 | V201 V202 D205 K376 A377 A378 N382 | V201-K380 HydrophobicContact CG2-CD 4.31Å; V201-K380 PolarHBondContact O-NZ 3.33Å; V201-K380 VanDerWaalsContact O-NZ 3.14Å; V202-K380 HydrophobicContact CB-CD 4.11Å; V202-K380 HydrophobicContact CG2-CD 4.06Å; D205-K380 IonicContact OD1-NZ 2.75Å; D205-K380 PolarHBondContact OD1-NZ 2.86Å; D205-K380 VanDerWaalsContact OD2-CE 3.29Å; D205-K380 WeakPolarHBondContact OD2-CE 3.41Å; D205-K380 IonicContact OD2-NZ 3.21Å; D205-K380 PolarHBondContact OD2-NZ 3Å; K376-K380 WeakPolarHBondContact O-CB 3.35Å; K376-K380 PolarHBondContact O-N 3Å; A377-K380 PolarHBondContact O-N 3.25Å; A378-K380 PolarHBondContact O-N 2.93Å; K380-N382 VanDerWaalsContact C-N 3.35Å |
| 381 | L | 89.7 | Confident | 92.2 | Very high | 42 Ų | 42 | 34 Ų | 34 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -83.7 | -12.7 | -178.4 | -63.1 | 165.4 | 0 | 0 | 0 | 112.6 | F147 V202 A377 A378 A472 | F147-L381 HydrophobicContact CE2-CD1 3.79Å; F147-L381 HydrophobicContact CZ-CD1 3.84Å; V202-L381 HydrophobicContact CG1-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CD1 4.17Å; V202-L381 HydrophobicContact CG2-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CG 4.12Å; A377-L381 WeakPolarHBondContact O-CB 3.5Å; A377-L381 WeakPolarHBondContact O-CD1 3.46Å; A377-L381 WeakPolarHBondContact O-CG 3.41Å; A377-L381 PolarHBondContact O-N 3.14Å; A378-L381 PolarHBondContact O-N 2.78Å; L381-A472 HydrophobicContact CB-CB 4.29Å; L381-A472 HydrophobicContact CD1-CB 3.65Å; L381-A472 HydrophobicContact CD2-CB 4.42Å; L381-A472 HydrophobicContact CG-CB 4.32Å |
| 382 | N | 89.9 | Confident | 92.2 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | trans | -109 | 110.5 | 179.2 | -76.2 | -79.2 | 0 | 0 | 0 | 110.8 | A378 C379 K380 A384 L385 H386 L468 T471 | A378-N382 WeakPolarHBondContact O-CB 3.32Å; A378-N382 PolarHBondContact O-N 3.48Å; A378-N382 PolarHBondContact O-ND2 2.88Å; C379-N382 VanDerWaalsContact O-O 3.05Å; K380-N382 VanDerWaalsContact C-N 3.35Å; N382-A384 PolarHBondContact O-N 3.48Å; N382-A384 VanDerWaalsContact O-N 3.15Å; N382-L385 HydrophobicContact CB-CB 4.16Å; N382-L385 HydrophobicContact CB-CD1 4.13Å; N382-L385 HydrophobicContact CB-CG 4.17Å; N382-L385 PolarHBondContact O-N 3.32Å; N382-H386 PolarHBondContact O-N 3.05Å; N382-L468 PolarHBondContact ND2-O 3.11Å; N382-T471 VanDerWaalsContact CG-OG1 3.23Å; N382-T471 PolarHBondContact ND2-OG1 3.43Å; N382-T471 VanDerWaalsContact ND2-OG1 3.14Å; N382-T471 VanDerWaalsContact OD1-CB 3.22Å; N382-T471 WeakPolarHBondContact OD1-CB 3.36Å; N382-T471 PolarHBondContact OD1-OG1 3.25Å | ||
| 383 | P | 88.6 | Confident | 92.2 | Very high | 110 Ų | 110 | 34.4 Ų | 34.4 | 71% | 0.714 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -56.4 | -33.7 | -180 | -27.5 | 35.3 | 0 | 0 | 0 | 113.8 | L385 H386 | P383-L385 PolarHBondContact O-N 2.91Å; P383-H386 PolarHBondContact O-ND1 3.1Å |
| 384 | A | 88.6 | Confident | 92.3 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -66.4 | -23.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N382 L454 T457 | N382-A384 PolarHBondContact O-N 3.48Å; N382-A384 VanDerWaalsContact O-N 3.15Å; A384-L454 VanDerWaalsContact O-CD2 3.31Å; A384-L454 WeakPolarHBondContact O-CD2 3.25Å; A384-T457 HydrophobicContact CB-CG2 3.91Å |
| 385 | L | 91.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -103.8 | -2.6 | -175.5 | -61.6 | -178.4 | 0 | 0 | 0 | 114.1 | C379 N382 P383 R387 L388 L454 T457 L458 L468 | C379-L385 HydrophobicContact CB-CB 4.11Å; N382-L385 HydrophobicContact CB-CB 4.16Å; N382-L385 HydrophobicContact CB-CD1 4.13Å; N382-L385 HydrophobicContact CB-CG 4.17Å; N382-L385 PolarHBondContact O-N 3.32Å; P383-L385 PolarHBondContact O-N 2.91Å; L385-R387 PolarHBondContact O-N 3.39Å; L385-L388 HydrophobicContact CD2-CD1 4.44Å; L385-L388 PolarHBondContact O-N 2.95Å; L385-L454 HydrophobicContact CD2-CD2 3.84Å; L385-T457 HydrophobicContact CD1-CG2 4.44Å; L385-T457 HydrophobicContact CD2-CG2 3.76Å; L385-T457 HydrophobicContact CG-CG2 3.97Å; L385-L458 HydrophobicContact CD1-CD2 3.98Å; L385-L458 HydrophobicContact CD2-CD2 3.86Å; L385-L458 HydrophobicContact CD2-CG 3.87Å; L385-L468 HydrophobicContact CD1-CD2 3.77Å |
| 386 | H | 87.7 | Confident | 92.6 | Very high | 105 Ų | 105 | 33.5 Ų | 33.5 | 49% | 0.486 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.3 | -175.1 | 80.8 | -76.5 | 0 | 0 | 0 | 114.2 | N382 P383 L388 | N382-H386 PolarHBondContact O-N 3.05Å; P383-H386 PolarHBondContact O-ND1 3.1Å; H386-L388 VanDerWaalsContact C-N 3.29Å |
| 387 | R | 90.7 | Very high | 92.7 | Very high | 117 Ų | 117 | 32.8 Ų | 32.8 | 44% | 0.442 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.7 | 177 | -65 | -60.2 | -166.8 | -153.3 | -4.4 | 113.1 | L385 N389 L446 E450 L454 | L385-R387 PolarHBondContact O-N 3.39Å; R387-N389 PolarHBondContact O-N 3.25Å; R387-L446 HydrophobicContact CB-CD2 4.42Å; R387-E450 IonicContact CZ-OE1 3.72Å; R387-E450 IonicContact NE-OE1 3.78Å; R387-E450 PolarHBondContact NE-OE1 2.89Å; R387-E450 VanDerWaalsContact NE-OE1 3.17Å; R387-L454 HydrophobicContact CB-CD1 4.28Å; R387-L454 HydrophobicContact CB-CD2 4.5Å |
| 388 | L | 92.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -74.3 | 114.9 | 174.2 | -70.9 | 172.9 | 0 | 0 | 0 | 110 | L385 H386 F443 L454 L458 | L385-L388 HydrophobicContact CD2-CD1 4.44Å; L385-L388 PolarHBondContact O-N 2.95Å; H386-L388 VanDerWaalsContact C-N 3.29Å; L388-F443 HydrophobicContact CD2-CE1 4.06Å; L388-F443 HydrophobicContact CD2-CZ 4.47Å; L388-L454 HydrophobicContact CD1-CD2 4.13Å; L388-L454 HydrophobicContact CD2-CD1 4.01Å; L388-L454 HydrophobicContact CG-CD1 4.1Å; L388-L454 HydrophobicContact CG-CD2 3.86Å; L388-L458 HydrophobicContact CD1-CD1 4.18Å |
| 389 | N | 91.1 | Very high | 93 | Very high | 71 Ų | 71 | 34 Ų | 34 | 38% | 0.38 | 18% | 0.183 | S | C | . | . | trans | -87.5 | 165.4 | -178.1 | 71.5 | 48.1 | 0 | 0 | 0 | 111.9 | R387 S391 Q392 L393 | R387-N389 PolarHBondContact O-N 3.25Å; N389-S391 VanDerWaalsContact C-N 3.29Å; N389-S391 PolarHBondContact O-N 3.17Å; N389-S391 PolarHBondContact OD1-N 2.76Å; N389-Q392 PolarHBondContact ND2-NE2 3.19Å; N389-Q392 PolarHBondContact O-N 3.48Å; N389-Q392 WeakPolarHBondContact OD1-CG 3.49Å; N389-Q392 PolarHBondContact OD1-N 3.42Å; N389-L393 PolarHBondContact O-N 3.11Å | ||
| 390 | S | 92.4 | Very high | 93.2 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.9 | -35.7 | -178.8 | -65.9 | 0 | 0 | 0 | 0 | 113.3 | K376 L393 T394 | K376-S390 WeakPolarHBondContact CE-OG 3.42Å; K376-S390 PolarHBondContact NZ-OG 3.18Å; K376-S390 VanDerWaalsContact NZ-OG 3.09Å; S390-L393 PolarHBondContact O-N 2.96Å; S390-T394 WeakPolarHBondContact O-CB 3.41Å; S390-T394 PolarHBondContact O-N 2.89Å; S390-T394 PolarHBondContact O-OG1 3.15Å |
| 391 | S | 93.3 | Very high | 93.4 | Very high | 38 Ų | 38 | 31.2 Ų | 31.2 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.8 | -39.6 | -179.2 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | E353 N389 L393 T394 N395 | E353-S391 PolarHBondContact OE1-OG 3.06Å; E353-S391 PolarHBondContact OE2-OG 3.49Å; N389-S391 VanDerWaalsContact C-N 3.29Å; N389-S391 PolarHBondContact O-N 3.17Å; N389-S391 PolarHBondContact OD1-N 2.76Å; S391-L393 PolarHBondContact O-N 3.39Å; S391-T394 PolarHBondContact O-N 3.46Å; S391-N395 WeakPolarHBondContact O-CB 3.24Å; S391-N395 PolarHBondContact O-N 2.88Å; S391-N395 PolarHBondContact O-ND2 3.22Å; S391-N395 PolarHBondContact OG-ND2 3.41Å |
| 392 | Q | 95.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 173.6 | -70.9 | 162.4 | -12.1 | 0 | 0 | 111.1 | N389 N395 A396 L432 L442 F443 | N389-Q392 PolarHBondContact ND2-NE2 3.19Å; N389-Q392 PolarHBondContact O-N 3.48Å; N389-Q392 WeakPolarHBondContact OD1-CG 3.49Å; N389-Q392 PolarHBondContact OD1-N 3.42Å; Q392-N395 PolarHBondContact O-N 3.37Å; Q392-A396 WeakPolarHBondContact O-CB 3.38Å; Q392-A396 PolarHBondContact O-N 3.49Å; Q392-L432 HydrophobicContact CB-CD2 3.81Å; Q392-L432 HydrophobicContact CG-CD2 4.1Å; Q392-L432 WeakPolarHBondContact O-CD2 3.25Å; Q392-L442 HydrophobicContact CG-CB 3.93Å; Q392-L442 PolarHBondContact NE2-O 3.22Å; Q392-F443 HydrophobicContact CB-CE1 4.31Å; Q392-F443 HydrophobicContact CG-CD1 4.18Å; Q392-F443 HydrophobicContact CG-CE1 3.99Å |
| 393 | L | 96.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.6 | -64.1 | 175.2 | 0 | 0 | 0 | 112.3 | L372 K376 C379 N389 S390 S391 A396 I397 L423 | L372-L393 HydrophobicContact CD1-CB 3.72Å; K376-L393 HydrophobicContact CB-CD1 4.35Å; K376-L393 HydrophobicContact CG-CD1 3.67Å; C379-L393 HydrophobicContact CB-CD1 4.48Å; N389-L393 PolarHBondContact O-N 3.11Å; S390-L393 PolarHBondContact O-N 2.96Å; S391-L393 PolarHBondContact O-N 3.39Å; L393-A396 PolarHBondContact O-N 2.87Å; L393-I397 WeakPolarHBondContact O-CG1 3.3Å; L393-I397 PolarHBondContact O-N 3.26Å; L393-I397 VanDerWaalsContact O-N 3.14Å; L393-L423 HydrophobicContact CD2-CD1 3.86Å; L393-L423 HydrophobicContact CD2-CD2 4.49Å |
| 394 | T | 96.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 176.3 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | E353 L357 L372 S390 S391 A396 I397 L398 | E353-T394 HydrophobicContact CB-CG2 4.01Å; L357-T394 HydrophobicContact CD2-CG2 4.45Å; L372-T394 WeakPolarHBondContact CD2-OG1 3.36Å; S390-T394 WeakPolarHBondContact O-CB 3.41Å; S390-T394 PolarHBondContact O-N 2.89Å; S390-T394 PolarHBondContact O-OG1 3.15Å; S391-T394 PolarHBondContact O-N 3.46Å; T394-A396 PolarHBondContact O-N 3.2Å; T394-I397 PolarHBondContact O-N 3.45Å; T394-L398 HydrophobicContact CG2-CD1 4.15Å; T394-L398 HydrophobicContact CG2-CG 4.43Å; T394-L398 WeakPolarHBondContact O-CG 3.49Å; T394-L398 PolarHBondContact O-N 2.81Å |
| 395 | N | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 178.9 | -80.9 | -85.5 | 0 | 0 | 0 | 112.5 | E353 S391 Q392 I397 L398 L399 C434 A435 L442 | E353-N395 VanDerWaalsContact CD-ND2 3.28Å; E353-N395 PolarHBondContact OE1-ND2 2.85Å; S391-N395 WeakPolarHBondContact O-CB 3.24Å; S391-N395 PolarHBondContact O-N 2.88Å; S391-N395 PolarHBondContact O-ND2 3.22Å; S391-N395 PolarHBondContact OG-ND2 3.41Å; Q392-N395 PolarHBondContact O-N 3.37Å; N395-I397 VanDerWaalsContact C-N 3.27Å; N395-I397 PolarHBondContact O-N 2.68Å; N395-L398 PolarHBondContact O-N 2.98Å; N395-L399 WeakPolarHBondContact O-CB 3.37Å; N395-L399 VanDerWaalsContact O-CG 3.29Å; N395-L399 WeakPolarHBondContact O-CG 3.33Å; N395-L399 PolarHBondContact O-N 2.92Å; N395-C434 WeakPolarHBondContact OD1-CA 3.34Å; N395-A435 PolarHBondContact OD1-N 2.72Å; N395-L442 HydrophobicContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CG-CD1 3.42Å; N395-L442 VanDerWaalsContact ND2-CD1 3.34Å; N395-L442 WeakPolarHBondContact ND2-CD1 3.39Å |
| 396 | A | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q392 L393 T394 L400 L419 L423 L432 | Q392-A396 WeakPolarHBondContact O-CB 3.38Å; Q392-A396 PolarHBondContact O-N 3.49Å; L393-A396 PolarHBondContact O-N 2.87Å; T394-A396 PolarHBondContact O-N 3.2Å; A396-L400 VanDerWaalsContact O-CB 3.31Å; A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.9Å; A396-L419 HydrophobicContact CB-CD1 3.61Å; A396-L423 HydrophobicContact CB-CD2 3.63Å; A396-L423 HydrophobicContact CB-CG 4.23Å; A396-L432 HydrophobicContact CB-CD1 4.45Å |
| 397 | I | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.7 | -40 | 174.8 | -71.1 | 173.4 | 0 | 0 | 0 | 112.1 | L357 R368 C371 L372 L393 T394 N395 L400 S401 W407 L419 | L357-I397 HydrophobicContact CD1-CG2 3.82Å; R368-I397 HydrophobicContact CB-CG2 3.96Å; R368-I397 HydrophobicContact CG-CG2 4.33Å; C371-I397 HydrophobicContact CB-CD1 4.45Å; L372-I397 HydrophobicContact CB-CD1 3.48Å; L372-I397 VanDerWaalsContact CB-CD1 3.48Å; L372-I397 HydrophobicContact CD1-CD1 3.93Å; L372-I397 HydrophobicContact CG-CD1 4.26Å; L393-I397 WeakPolarHBondContact O-CG1 3.3Å; L393-I397 PolarHBondContact O-N 3.26Å; L393-I397 VanDerWaalsContact O-N 3.14Å; T394-I397 PolarHBondContact O-N 3.45Å; N395-I397 VanDerWaalsContact C-N 3.27Å; N395-I397 PolarHBondContact O-N 2.68Å; I397-L400 PolarHBondContact O-N 2.64Å; I397-S401 WeakPolarHBondContact O-CB 3.49Å; I397-S401 PolarHBondContact O-N 3Å; I397-S401 PolarHBondContact O-OG 3.1Å; I397-W407 HydrophobicContact CG2-CH2 3.92Å; I397-W407 HydrophobicContact CG2-CZ3 4.33Å; I397-L419 HydrophobicContact CD1-CD2 3.96Å; I397-L419 HydrophobicContact CG1-CD1 3.79Å; I397-L419 HydrophobicContact CG1-CD2 3.86Å; I397-L419 HydrophobicContact CG1-CG 4.41Å |
| 398 | L | 96.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 176 | -71 | 173.9 | 0 | 0 | 0 | 111.1 | E353 R356 L357 L360 T394 N395 L400 S401 E402 A435 | E353-L398 HydrophobicContact CB-CD1 4.38Å; E353-L398 HydrophobicContact CG-CD1 4.48Å; R356-L398 HydrophobicContact CB-CD2 4.36Å; R356-L398 HydrophobicContact CG-CD2 3.92Å; L357-L398 HydrophobicContact CB-CD2 4.26Å; L357-L398 HydrophobicContact CD1-CD2 4.04Å; L360-L398 HydrophobicContact CD1-CD2 4.06Å; T394-L398 HydrophobicContact CG2-CD1 4.15Å; T394-L398 HydrophobicContact CG2-CG 4.43Å; T394-L398 WeakPolarHBondContact O-CG 3.49Å; T394-L398 PolarHBondContact O-N 2.81Å; N395-L398 PolarHBondContact O-N 2.98Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.19Å; L398-S401 WeakPolarHBondContact O-CB 3.34Å; L398-S401 PolarHBondContact O-N 3.42Å; L398-S401 VanDerWaalsContact O-N 3.11Å; L398-E402 PolarHBondContact O-N 3.21Å; L398-A435 HydrophobicContact CB-CB 3.82Å; L398-A435 HydrophobicContact CD1-CB 4.17Å |
| 399 | L | 96.5 | Very high | 94.2 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 175.9 | -67.9 | 171.5 | 0 | 0 | 0 | 112.5 | N395 S401 E402 L432 P433 A435 | N395-L399 WeakPolarHBondContact O-CB 3.37Å; N395-L399 VanDerWaalsContact O-CG 3.29Å; N395-L399 WeakPolarHBondContact O-CG 3.33Å; N395-L399 PolarHBondContact O-N 2.92Å; L399-S401 VanDerWaalsContact C-N 3.33Å; L399-E402 PolarHBondContact O-N 2.81Å; L399-L432 HydrophobicContact CD1-CD1 3.98Å; L399-P433 HydrophobicContact CD1-CG 3.97Å; L399-A435 HydrophobicContact CD2-CB 4.17Å; L399-A435 HydrophobicContact CG-CB 4.32Å |
| 400 | L | 96 | Very high | 94.1 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 173.4 | -175.8 | 60.9 | 0 | 0 | 0 | 111.2 | A396 I397 L398 E402 K403 E404 W407 Q418 L419 | A396-L400 VanDerWaalsContact O-CB 3.31Å; A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.9Å; I397-L400 PolarHBondContact O-N 2.64Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.19Å; L400-E402 PolarHBondContact O-N 2.85Å; L400-K403 PolarHBondContact O-N 2.84Å; L400-E404 HydrophobicContact CD1-CG 3.76Å; L400-E404 HydrophobicContact CG-CG 4.32Å; L400-E404 WeakPolarHBondContact O-CB 3.4Å; L400-E404 PolarHBondContact O-N 3.34Å; L400-W407 HydrophobicContact CB-CZ2 4.31Å; L400-W407 HydrophobicContact CD2-CH2 3.95Å; L400-W407 HydrophobicContact CD2-CZ2 4.24Å; L400-W407 HydrophobicContact CG-CH2 4.21Å; L400-W407 HydrophobicContact CG-CZ2 4.01Å; L400-Q418 HydrophobicContact CD1-CB 4.13Å; L400-Q418 HydrophobicContact CD2-CB 4.01Å; L400-L419 HydrophobicContact CD2-CB 4.22Å |
| 401 | S | 95 | Very high | 94 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 12% | 0.119 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -24.3 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | R368 I397 L398 L399 K403 W407 | R368-S401 WeakPolarHBondContact CD-OG 3.21Å; R368-S401 PolarHBondContact NE-OG 3.11Å; I397-S401 WeakPolarHBondContact O-CB 3.49Å; I397-S401 PolarHBondContact O-N 3Å; I397-S401 PolarHBondContact O-OG 3.1Å; L398-S401 WeakPolarHBondContact O-CB 3.34Å; L398-S401 PolarHBondContact O-N 3.42Å; L398-S401 VanDerWaalsContact O-N 3.11Å; L399-S401 VanDerWaalsContact C-N 3.33Å; S401-K403 VanDerWaalsContact C-N 3.32Å; S401-W407 WeakPolarHBondContact OG-CZ2 3.46Å |
| 402 | E | 93.4 | Very high | 94 | Very high | 141 Ų | 141 | 48.9 Ų | 48.9 | 66% | 0.659 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -72.8 | -27.2 | 172.6 | -68.6 | 175.4 | -178.8 | 0 | 0 | 112.5 | L398 L399 L400 | L398-E402 PolarHBondContact O-N 3.21Å; L399-E402 PolarHBondContact O-N 2.81Å; L400-E402 PolarHBondContact O-N 2.85Å |
| 403 | K | 92.1 | Very high | 93.9 | Very high | 164 Ų | 164 | 48.8 Ų | 48.8 | 71% | 0.713 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -93.2 | -34.9 | -178.1 | -63.4 | 177 | -176.6 | 175.8 | 0 | 112.6 | L400 S401 | L400-K403 PolarHBondContact O-N 2.84Å; S401-K403 VanDerWaalsContact C-N 3.32Å |
| 404 | E | 91.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | trans | -115.4 | 124.1 | -171.8 | -64.7 | -74 | 172 | 0 | 0 | 110.4 | L400 W407 R415 Q418 | L400-E404 HydrophobicContact CD1-CG 3.76Å; L400-E404 HydrophobicContact CG-CG 4.32Å; L400-E404 WeakPolarHBondContact O-CB 3.4Å; L400-E404 PolarHBondContact O-N 3.34Å; E404-W407 PolarHBondContact O-NE1 3.22Å; E404-R415 IonicContact OE2-CZ 3.59Å; E404-R415 IonicContact OE2-NH1 3.78Å; E404-R415 PolarHBondContact OE2-NH1 2.75Å; E404-R415 IonicContact OE2-NH2 2.79Å; E404-Q418 PolarHBondContact OE1-NE2 3.04Å | ||
| 405 | G | 86.3 | Confident | 93.6 | Very high | 66 Ų | 66 | 51.1 Ų | 51.1 | 68% | 0.68 | 26% | 0.259 | S | S | * | . | trans | -89.7 | -30.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W407 | G405-W407 PolarHBondContact O-N 2.99Š| ||
| 406 | D | 92.2 | Very high | 93.5 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | trans | -84.4 | 107.6 | -176.5 | 168.5 | 23.2 | 0 | 0 | 0 | 110.9 | T408 R415 | D406-T408 VanDerWaalsContact OD1-CB 3.32Å; D406-T408 WeakPolarHBondContact OD1-CB 3.48Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.23Å; D406-T408 PolarHBondContact OD1-N 3.08Å; D406-T408 PolarHBondContact OD1-OG1 2.87Å; D406-R415 PolarHBondContact O-NE 2.99Å; D406-R415 PolarHBondContact O-NH2 3.11Å; D406-R415 IonicContact OD2-NH2 3.91Å | ||
| 407 | W | 95.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | trans | -115.1 | 25.6 | 174.5 | -72.7 | 84.3 | 0 | 0 | 0 | 112.2 | G366 C367 R368 C371 I397 L400 S401 E404 G405 R415 | G366-W407 CarbonylContact C-O 3.49Å; G366-W407 WeakPolarHBondContact CA-O 3.18Å; C367-W407 PolarHBondContact N-O 2.87Å; C367-W407 PolarHBondContact SG-O 3.45Å; R368-W407 HydrophobicContact CB-CE3 4.11Å; R368-W407 HydrophobicContact CB-CZ3 4.18Å; R368-W407 HydrophobicContact CG-CB 4.44Å; R368-W407 HydrophobicContact CG-CD2 3.41Å; R368-W407 VanDerWaalsContact CG-CD2 3.41Å; R368-W407 HydrophobicContact CG-CE3 3.27Å; R368-W407 HydrophobicContact CG-CG 3.95Å; R368-W407 HydrophobicContact CG-CH2 4.12Å; R368-W407 HydrophobicContact CG-CZ2 4.27Å; R368-W407 HydrophobicContact CG-CZ3 3.64Å; R368-W407 VanDerWaalsContact CZ-CD1 3.46Å; R368-W407 VanDerWaalsContact CZ-CG 3.45Å; C371-W407 HydrophobicContact CB-CZ3 4.39Å; I397-W407 HydrophobicContact CG2-CH2 3.92Å; I397-W407 HydrophobicContact CG2-CZ3 4.33Å; L400-W407 HydrophobicContact CB-CZ2 4.31Å; L400-W407 HydrophobicContact CD2-CH2 3.95Å; L400-W407 HydrophobicContact CD2-CZ2 4.24Å; L400-W407 HydrophobicContact CG-CH2 4.21Å; L400-W407 HydrophobicContact CG-CZ2 4.01Å; S401-W407 WeakPolarHBondContact OG-CZ2 3.46Å; E404-W407 PolarHBondContact O-NE1 3.22Å; G405-W407 PolarHBondContact O-N 2.99Å; W407-R415 HydrophobicContact CD2-CG 4.3Å; W407-R415 HydrophobicContact CE3-CB 4.29Å; W407-R415 HydrophobicContact CE3-CG 3.89Å; W407-R415 HydrophobicContact CH2-CB 4.37Å; W407-R415 HydrophobicContact CH2-CG 4.39Å; W407-R415 HydrophobicContact CZ3-CB 3.91Å; W407-R415 HydrophobicContact CZ3-CG 3.96Å | ||
| 408 | T | 93.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | trans | -58.5 | 159 | 177.6 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | C367 D406 E410 A411 | C367-T408 PolarHBondContact SG-O 3.22Å; D406-T408 VanDerWaalsContact OD1-CB 3.32Å; D406-T408 WeakPolarHBondContact OD1-CB 3.48Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.23Å; D406-T408 PolarHBondContact OD1-N 3.08Å; D406-T408 PolarHBondContact OD1-OG1 2.87Å; T408-E410 PolarHBondContact O-N 3.29Å; T408-A411 PolarHBondContact O-N 2.9Å; T408-A411 VanDerWaalsContact O-N 3.1Å | ||
| 409 | R | 90.1 | Very high | 93.2 | Very high | 181 Ų | 181 | 54 Ų | 54 | 68% | 0.683 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -59.4 | -30.6 | -179.9 | -67.9 | -177 | 179.2 | -172.4 | -0.5 | 112.7 | Q141 A411 | Q141-R409 PolarHBondContact NE2-O 3.3Å; R409-A411 VanDerWaalsContact C-N 3.33Å |
| 410 | E | 89.3 | Confident | 93.1 | Very high | 173 Ų | 173 | 53.1 Ų | 53.1 | 81% | 0.808 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -73.5 | -25.5 | -179.5 | -62.4 | 179.2 | -173.1 | 0 | 0 | 112.5 | Q141 T408 L412 | Q141-E410 PolarHBondContact OE1-O 3.19Å; T408-E410 PolarHBondContact O-N 3.29Å; E410-L412 VanDerWaalsContact C-N 3.3Å; E410-L412 PolarHBondContact O-N 2.77Å |
| 411 | A | 91.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 59 Ų | 59 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -84.1 | 1.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T408 R409 A413 D414 R415 | T408-A411 PolarHBondContact O-N 2.9Å; T408-A411 VanDerWaalsContact O-N 3.1Å; R409-A411 VanDerWaalsContact C-N 3.33Å; A411-A413 VanDerWaalsContact C-N 3.34Å; A411-A413 PolarHBondContact O-N 2.81Å; A411-D414 PolarHBondContact O-N 2.79Å; A411-D414 VanDerWaalsContact O-N 3.12Å; A411-R415 HydrophobicContact CB-CG 4.45Å; A411-R415 WeakPolarHBondContact O-CG 3.47Å; A411-R415 PolarHBondContact O-N 2.86Å |
| 412 | L | 93.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.6 | -44.9 | -174.1 | 177.4 | 64.3 | 0 | 0 | 0 | 112.6 | L144 W145 C367 A370 C371 E410 R415 F416 | L144-L412 HydrophobicContact CB-CD2 4.41Å; W145-L412 HydrophobicContact CZ2-CD2 4.35Å; C367-L412 HydrophobicContact CB-CD1 4.36Å; A370-L412 HydrophobicContact CB-CD1 4.43Å; C371-L412 HydrophobicContact CB-CD1 3.71Å; E410-L412 VanDerWaalsContact C-N 3.3Å; E410-L412 PolarHBondContact O-N 2.77Å; L412-R415 PolarHBondContact O-N 2.91Å; L412-F416 VanDerWaalsContact O-CB 3.3Å; L412-F416 WeakPolarHBondContact O-CB 3.29Å; L412-F416 PolarHBondContact O-N 3.47Å |
| 413 | A | 92.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L140 Q141 L144 A411 F416 L417 | L140-A413 HydrophobicContact CB-CB 4.36Å; L140-A413 HydrophobicContact CD2-CB 4.17Å; L140-A413 HydrophobicContact CG-CB 4.13Å; Q141-A413 HydrophobicContact CB-CB 4.01Å; Q141-A413 VanDerWaalsContact OE1-CB 3.28Å; L144-A413 HydrophobicContact CD1-CB 4.01Å; A411-A413 VanDerWaalsContact C-N 3.34Å; A411-A413 PolarHBondContact O-N 2.81Å; A413-F416 PolarHBondContact O-N 2.84Å; A413-L417 WeakPolarHBondContact O-CG 3.45Å; A413-L417 PolarHBondContact O-N 2.83Å |
| 414 | D | 92.9 | Very high | 93.5 | Very high | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.1 | -77.7 | -25.4 | 0 | 0 | 0 | 110.9 | R137 A411 L417 Q418 | R137-D414 WeakPolarHBondContact CD-OD1 3.49Å; R137-D414 IonicContact CZ-OD1 3.51Å; R137-D414 VanDerWaalsContact CZ-OD1 3.29Å; R137-D414 IonicContact CZ-OD2 3.41Å; R137-D414 IonicContact NE-OD1 2.64Å; R137-D414 PolarHBondContact NE-OD1 3.32Å; R137-D414 IonicContact NH1-OD1 2.81Å; R137-D414 PolarHBondContact NH1-OD1 3.33Å; R137-D414 IonicContact NH1-OD2 3.52Å; R137-D414 PolarHBondContact NH1-OD2 3.38Å; A411-D414 PolarHBondContact O-N 2.79Å; A411-D414 VanDerWaalsContact O-N 3.12Å; D414-L417 PolarHBondContact O-N 3.06Å; D414-Q418 WeakPolarHBondContact O-CB 3.45Å; D414-Q418 VanDerWaalsContact O-CG 3.27Å; D414-Q418 WeakPolarHBondContact O-CG 3.28Å; D414-Q418 PolarHBondContact O-N 3.37Å |
| 415 | R | 95.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 44 Ų | 44 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 175.7 | -66.6 | -66.8 | 167.1 | -91 | -10.1 | 112.6 | E404 D406 W407 A411 L412 Q418 L419 | E404-R415 IonicContact OE2-CZ 3.59Å; E404-R415 IonicContact OE2-NH1 3.78Å; E404-R415 PolarHBondContact OE2-NH1 2.75Å; E404-R415 IonicContact OE2-NH2 2.79Å; D406-R415 PolarHBondContact O-NE 2.99Å; D406-R415 PolarHBondContact O-NH2 3.11Å; D406-R415 IonicContact OD2-NH2 3.91Å; W407-R415 HydrophobicContact CD2-CG 4.3Å; W407-R415 HydrophobicContact CE3-CB 4.29Å; W407-R415 HydrophobicContact CE3-CG 3.89Å; W407-R415 HydrophobicContact CH2-CB 4.37Å; W407-R415 HydrophobicContact CH2-CG 4.39Å; W407-R415 HydrophobicContact CZ3-CB 3.91Å; W407-R415 HydrophobicContact CZ3-CG 3.96Å; A411-R415 HydrophobicContact CB-CG 4.45Å; A411-R415 WeakPolarHBondContact O-CG 3.47Å; A411-R415 PolarHBondContact O-N 2.86Å; L412-R415 PolarHBondContact O-N 2.91Å; R415-Q418 VanDerWaalsContact NH1-CD 3.31Å; R415-Q418 PolarHBondContact O-N 3.34Å; R415-L419 WeakPolarHBondContact O-CB 3.42Å; R415-L419 PolarHBondContact O-N 3.02Å |
| 416 | F | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 175.3 | -175.7 | -101.1 | 0 | 0 | 0 | 111.1 | L144 A374 A375 L412 A413 Q418 L419 L420 | L144-F416 HydrophobicContact CD1-CB 4.01Å; L144-F416 HydrophobicContact CD1-CD1 4.26Å; L144-F416 HydrophobicContact CD1-CG 4.19Å; L144-F416 HydrophobicContact CD2-CD1 4.13Å; L144-F416 HydrophobicContact CD2-CD2 4.35Å; L144-F416 HydrophobicContact CD2-CE1 4.26Å; L144-F416 HydrophobicContact CD2-CE2 4.48Å; L144-F416 HydrophobicContact CD2-CG 4.17Å; L144-F416 HydrophobicContact CD2-CZ 4.43Å; A374-F416 HydrophobicContact CB-CE2 4.49Å; A375-F416 HydrophobicContact CB-CE2 4.24Å; L412-F416 VanDerWaalsContact O-CB 3.3Å; L412-F416 WeakPolarHBondContact O-CB 3.29Å; L412-F416 PolarHBondContact O-N 3.47Å; A413-F416 PolarHBondContact O-N 2.84Å; F416-Q418 PolarHBondContact O-N 3.24Å; F416-L419 WeakPolarHBondContact O-CB 3.46Å; F416-L419 PolarHBondContact O-N 3.31Å; F416-L420 HydrophobicContact CD1-CD1 4.14Å; F416-L420 HydrophobicContact CE1-CD1 3.72Å; F416-L420 HydrophobicContact CE1-CG 4.25Å; F416-L420 HydrophobicContact CZ-CD1 4.33Å; F416-L420 HydrophobicContact CZ-CD2 4.45Å; F416-L420 WeakPolarHBondContact O-CG 3.17Å; F416-L420 PolarHBondContact O-N 3.4Å |
| 417 | L | 93.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 175.9 | -69.2 | 176.5 | 0 | 0 | 0 | 112.4 | L140 A413 D414 L419 L420 R421 P465 | L140-L417 HydrophobicContact CD2-CD1 3.81Å; L140-L417 HydrophobicContact CD2-CD2 4.01Å; L140-L417 HydrophobicContact CD2-CG 3.86Å; A413-L417 WeakPolarHBondContact O-CG 3.45Å; A413-L417 PolarHBondContact O-N 2.83Å; D414-L417 PolarHBondContact O-N 3.06Å; L417-L419 VanDerWaalsContact C-N 3.34Å; L417-L420 PolarHBondContact O-N 3.48Å; L417-R421 WeakPolarHBondContact O-CG 3.35Å; L417-R421 PolarHBondContact O-N 3.44Å; L417-P465 HydrophobicContact CD2-CB 3.75Å; L417-P465 HydrophobicContact CD2-CG 3.95Å |
| 418 | Q | 95.2 | Very high | 94.2 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -38.9 | 174.4 | -76 | 177.8 | -16.9 | 0 | 0 | 112.1 | L400 E404 D414 R415 F416 R421 A422 | L400-Q418 HydrophobicContact CD1-CB 4.13Å; L400-Q418 HydrophobicContact CD2-CB 4.01Å; E404-Q418 PolarHBondContact OE1-NE2 3.04Å; D414-Q418 WeakPolarHBondContact O-CB 3.45Å; D414-Q418 VanDerWaalsContact O-CG 3.27Å; D414-Q418 WeakPolarHBondContact O-CG 3.28Å; D414-Q418 PolarHBondContact O-N 3.37Å; R415-Q418 VanDerWaalsContact NH1-CD 3.31Å; R415-Q418 PolarHBondContact O-N 3.34Å; F416-Q418 PolarHBondContact O-N 3.24Å; Q418-R421 PolarHBondContact O-N 3.07Å; Q418-A422 VanDerWaalsContact O-CB 3.31Å; Q418-A422 WeakPolarHBondContact O-CB 3.25Å; Q418-A422 PolarHBondContact O-N 3.14Å |
| 419 | L | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 173.8 | 174.9 | 64 | 0 | 0 | 0 | 111 | A375 A396 I397 L400 R415 F416 L417 R421 A422 L423 | A375-L419 HydrophobicContact CB-CD2 3.75Å; A396-L419 HydrophobicContact CB-CD1 3.61Å; I397-L419 HydrophobicContact CD1-CD2 3.96Å; I397-L419 HydrophobicContact CG1-CD1 3.79Å; I397-L419 HydrophobicContact CG1-CD2 3.86Å; I397-L419 HydrophobicContact CG1-CG 4.41Å; L400-L419 HydrophobicContact CD2-CB 4.22Å; R415-L419 WeakPolarHBondContact O-CB 3.42Å; R415-L419 PolarHBondContact O-N 3.02Å; F416-L419 WeakPolarHBondContact O-CB 3.46Å; F416-L419 PolarHBondContact O-N 3.31Å; L417-L419 VanDerWaalsContact C-N 3.34Å; L419-R421 VanDerWaalsContact C-N 3.34Å; L419-R421 PolarHBondContact O-N 2.8Å; L419-A422 PolarHBondContact O-N 2.83Å; L419-L423 HydrophobicContact CD1-CD1 4.14Å; L419-L423 HydrophobicContact CD1-CG 4.17Å; L419-L423 HydrophobicContact CG-CD1 4.04Å; L419-L423 HydrophobicContact CG-CG 4.48Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.32Å; L419-L423 WeakPolarHBondContact O-CG 3.37Å; L419-L423 PolarHBondContact O-N 3.44Å |
| 420 | L | 94.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 176.3 | -65.3 | -180 | 0 | 0 | 0 | 111.5 | F416 L417 A422 L423 V424 L458 L462 L468 | F416-L420 HydrophobicContact CD1-CD1 4.14Å; F416-L420 HydrophobicContact CE1-CD1 3.72Å; F416-L420 HydrophobicContact CE1-CG 4.25Å; F416-L420 HydrophobicContact CZ-CD1 4.33Å; F416-L420 HydrophobicContact CZ-CD2 4.45Å; F416-L420 WeakPolarHBondContact O-CG 3.17Å; F416-L420 PolarHBondContact O-N 3.4Å; L417-L420 PolarHBondContact O-N 3.48Å; L420-A422 PolarHBondContact O-N 3.01Å; L420-L423 PolarHBondContact O-N 3.5Å; L420-V424 WeakPolarHBondContact O-CG2 3.21Å; L420-V424 PolarHBondContact O-N 3Å; L420-L458 HydrophobicContact CD2-CD2 3.85Å; L420-L462 HydrophobicContact CB-CD2 3.56Å; L420-L462 HydrophobicContact CB-CG 4.39Å; L420-L462 HydrophobicContact CD1-CD2 4.39Å; L420-L468 HydrophobicContact CD1-CD1 4.04Å; L420-L468 HydrophobicContact CD2-CD1 4.07Å |
| 421 | R | 95.7 | Very high | 94.7 | Very high | 137 Ų | 137 | 35.1 Ų | 35.1 | 52% | 0.517 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.4 | -68.9 | -177 | -164.1 | 107.5 | 2.2 | 112.2 | L417 Q418 L419 V424 G425 L462 | L417-R421 WeakPolarHBondContact O-CG 3.35Å; L417-R421 PolarHBondContact O-N 3.44Å; Q418-R421 PolarHBondContact O-N 3.07Å; L419-R421 VanDerWaalsContact C-N 3.34Å; L419-R421 PolarHBondContact O-N 2.8Å; R421-V424 PolarHBondContact O-N 3.12Å; R421-G425 PolarHBondContact O-N 3.41Å; R421-L462 HydrophobicContact CG-CD1 3.98Å; R421-L462 HydrophobicContact CG-CD2 3.55Å; R421-L462 HydrophobicContact CG-CG 4.44Å |
| 422 | A | 96.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q418 L419 L420 G425 H426 | Q418-A422 VanDerWaalsContact O-CB 3.31Å; Q418-A422 WeakPolarHBondContact O-CB 3.25Å; Q418-A422 PolarHBondContact O-N 3.14Å; L419-A422 PolarHBondContact O-N 2.83Å; L420-A422 PolarHBondContact O-N 3.01Å; A422-G425 PolarHBondContact O-N 3.15Å; A422-H426 PolarHBondContact O-CD2 3.28Å; A422-H426 PolarHBondContact O-N 3.23Å |
| 423 | L | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.1 | -74 | 170.1 | 0 | 0 | 0 | 111.8 | L393 A396 L419 L420 G425 H426 L427 L458 | L393-L423 HydrophobicContact CD2-CD1 3.86Å; L393-L423 HydrophobicContact CD2-CD2 4.49Å; A396-L423 HydrophobicContact CB-CD2 3.63Å; A396-L423 HydrophobicContact CB-CG 4.23Å; L419-L423 HydrophobicContact CD1-CD1 4.14Å; L419-L423 HydrophobicContact CD1-CG 4.17Å; L419-L423 HydrophobicContact CG-CD1 4.04Å; L419-L423 HydrophobicContact CG-CG 4.48Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.32Å; L419-L423 WeakPolarHBondContact O-CG 3.37Å; L419-L423 PolarHBondContact O-N 3.44Å; L420-L423 PolarHBondContact O-N 3.5Å; L423-G425 VanDerWaalsContact C-N 3.35Å; L423-G425 PolarHBondContact O-N 2.92Å; L423-H426 PolarHBondContact O-N 2.87Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.44Å; L423-L427 PolarHBondContact O-N 2.84Å; L423-L458 HydrophobicContact CB-CD1 3.98Å |
| 424 | V | 95.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L420 R421 H426 L427 E428 L458 Y459 L462 | L420-V424 WeakPolarHBondContact O-CG2 3.21Å; L420-V424 PolarHBondContact O-N 3Å; R421-V424 PolarHBondContact O-N 3.12Å; V424-H426 VanDerWaalsContact C-N 3.32Å; V424-H426 PolarHBondContact O-N 2.92Å; V424-L427 PolarHBondContact O-N 2.87Å; V424-L427 VanDerWaalsContact O-N 3.14Å; V424-E428 HydrophobicContact CG1-CG 4.33Å; V424-E428 WeakPolarHBondContact O-CG 3.38Å; V424-E428 PolarHBondContact O-N 3.06Å; V424-L458 HydrophobicContact CG2-CB 3.55Å; V424-Y459 HydrophobicContact CG1-CD2 4.47Å; V424-L462 HydrophobicContact CG2-CD1 4.08Å |
| 425 | G | 95.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 35 Ų | 35 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.3 | -37 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R421 A422 L423 A429 | R421-G425 PolarHBondContact O-N 3.41Å; A422-G425 PolarHBondContact O-N 3.15Å; L423-G425 VanDerWaalsContact C-N 3.35Å; L423-G425 PolarHBondContact O-N 2.92Å; G425-A429 WeakPolarHBondContact O-CB 3.4Å; G425-A429 PolarHBondContact O-N 3.32Å |
| 426 | H | 96.7 | Very high | 95.2 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -35.9 | 174.8 | -74.7 | -58.3 | 0 | 0 | 0 | 112.8 | A422 L423 V424 A429 G430 R431 L432 F443 | A422-H426 PolarHBondContact O-CD2 3.28Å; A422-H426 PolarHBondContact O-N 3.23Å; L423-H426 PolarHBondContact O-N 2.87Å; V424-H426 VanDerWaalsContact C-N 3.32Å; V424-H426 PolarHBondContact O-N 2.92Å; H426-A429 PolarHBondContact O-N 2.91Å; H426-G430 PolarHBondContact O-N 3.29Å; H426-G430 VanDerWaalsContact O-N 3.14Å; H426-R431 PolarHBondContact ND1-O 2.91Å; H426-R431 VanDerWaalsContact ND1-O 3.14Å; H426-R431 PolarHBondContact O-N 3.16Å; H426-L432 HydrophobicContact CB-CB 4.3Å; H426-L432 HydrophobicContact CB-CD1 4.2Å; H426-F443 HydrophobicContact CB-CE2 3.86Å |
| 427 | L | 95.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.6 | -43.5 | 175.7 | -72.1 | 164.1 | 0 | 0 | 0 | 110.9 | L423 V424 A429 G430 F443 V451 L454 L458 | L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.44Å; L423-L427 PolarHBondContact O-N 2.84Å; V424-L427 PolarHBondContact O-N 2.87Å; V424-L427 VanDerWaalsContact O-N 3.14Å; L427-A429 VanDerWaalsContact C-N 3.26Å; L427-A429 PolarHBondContact O-N 2.89Å; L427-G430 WeakPolarHBondContact O-CA 3.37Å; L427-G430 PolarHBondContact O-N 2.92Å; L427-F443 HydrophobicContact CD2-CD2 4.1Å; L427-F443 HydrophobicContact CD2-CE1 4.34Å; L427-F443 HydrophobicContact CD2-CE2 3.56Å; L427-F443 HydrophobicContact CD2-CZ 3.7Å; L427-F443 HydrophobicContact CG-CE2 3.79Å; L427-F443 HydrophobicContact CG-CZ 3.99Å; L427-V451 HydrophobicContact CB-CG1 4.17Å; L427-V451 HydrophobicContact CD2-CB 4.47Å; L427-V451 HydrophobicContact CD2-CG1 4Å; L427-V451 HydrophobicContact CD2-CG2 4.47Å; L427-V451 VanDerWaalsContact O-CG1 3.27Å; L427-V451 WeakPolarHBondContact O-CG1 3.19Å; L427-L454 HydrophobicContact CD1-CB 3.91Å; L427-L454 HydrophobicContact CD2-CB 4.21Å; L427-L454 HydrophobicContact CD2-CD1 4.34Å; L427-L458 HydrophobicContact CD1-CD1 3.62Å |
| 428 | E | 94.2 | Very high | 95.2 | Very high | 123 Ų | 123 | 42.8 Ų | 42.8 | 58% | 0.575 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.6 | -37.3 | 173.9 | -73 | 178 | 171.1 | 0 | 0 | 112.2 | V424 G430 | V424-E428 HydrophobicContact CG1-CG 4.33Å; V424-E428 WeakPolarHBondContact O-CG 3.38Å; V424-E428 PolarHBondContact O-N 3.06Å; E428-G430 VanDerWaalsContact C-N 3.25Å; E428-G430 PolarHBondContact O-N 2.77Å |
| 429 | A | 94.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 60% | 0.595 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G425 H426 L427 R431 | G425-A429 WeakPolarHBondContact O-CB 3.4Å; G425-A429 PolarHBondContact O-N 3.32Å; H426-A429 PolarHBondContact O-N 2.91Å; L427-A429 VanDerWaalsContact C-N 3.26Å; L427-A429 PolarHBondContact O-N 2.89Å; A429-R431 PolarHBondContact O-N 2.93Å; A429-R431 VanDerWaalsContact O-N 3.15Å |
| 430 | G | 92.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 38% | 0.381 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 16.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H426 L427 E428 N441 | H426-G430 PolarHBondContact O-N 3.29Å; H426-G430 VanDerWaalsContact O-N 3.14Å; L427-G430 WeakPolarHBondContact O-CA 3.37Å; L427-G430 PolarHBondContact O-N 2.92Å; E428-G430 VanDerWaalsContact C-N 3.25Å; E428-G430 PolarHBondContact O-N 2.77Å; G430-N441 PolarHBondContact O-ND2 3.47Å; G430-N441 VanDerWaalsContact O-ND2 3.11Å |
| 431 | R | 94.7 | Very high | 95.1 | Very high | 117 Ų | 117 | 48.4 Ų | 48.4 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | trans | -145.5 | 118.2 | -171.4 | -170.7 | -179.5 | -180 | 109.5 | 5.7 | 112.4 | H426 A429 P438 K439 N441 | H426-R431 PolarHBondContact ND1-O 2.91Å; H426-R431 VanDerWaalsContact ND1-O 3.14Å; H426-R431 PolarHBondContact O-N 3.16Å; A429-R431 PolarHBondContact O-N 2.93Å; A429-R431 VanDerWaalsContact O-N 3.15Å; R431-P438 PolarHBondContact NH2-O 3.36Å; R431-K439 PolarHBondContact NH2-O 2.84Å; R431-N441 WeakPolarHBondContact CA-OD1 3.37Å; R431-N441 HydrophobicContact CG-CB 4.28Å | ||
| 432 | L | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -112.8 | 103.7 | 165.1 | 177.6 | 64.2 | 0 | 0 | 0 | 108.6 | Q392 A396 L399 H426 N441 L442 F443 | Q392-L432 HydrophobicContact CB-CD2 3.81Å; Q392-L432 HydrophobicContact CG-CD2 4.1Å; Q392-L432 WeakPolarHBondContact O-CD2 3.25Å; A396-L432 HydrophobicContact CB-CD1 4.45Å; L399-L432 HydrophobicContact CD1-CD1 3.98Å; H426-L432 HydrophobicContact CB-CB 4.3Å; H426-L432 HydrophobicContact CB-CD1 4.2Å; L432-N441 PolarHBondContact N-OD1 2.9Å; L432-N441 PolarHBondContact O-OD1 2.73Å; L432-L442 HydrophobicContact CB-CB 4.38Å; L432-L442 HydrophobicContact CD2-CB 4.15Å; L432-L442 HydrophobicContact CD2-CD1 4.11Å; L432-L442 HydrophobicContact CG-CB 4.29Å; L432-L442 HydrophobicContact CG-CD1 4.22Å; L432-L442 PolarHBondContact O-N 3.49Å; L432-F443 HydrophobicContact CB-CD1 4.1Å; L432-F443 HydrophobicContact CB-CD2 3.69Å; L432-F443 HydrophobicContact CB-CE1 4.03Å; L432-F443 HydrophobicContact CB-CE2 3.6Å; L432-F443 HydrophobicContact CB-CG 3.95Å; L432-F443 HydrophobicContact CB-CZ 3.78Å; L432-F443 HydrophobicContact CD2-CD1 4.38Å; L432-F443 HydrophobicContact CD2-CE1 3.77Å; L432-F443 HydrophobicContact CD2-CZ 3.85Å; L432-F443 HydrophobicContact CG-CZ 4.41Å | ||
| 433 | P | 96.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 42 Ų | 42 | 20% | 0.195 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 145.6 | 177 | 28 | -31.8 | 0 | 0 | 0 | 111 | L399 V440 | L399-P433 HydrophobicContact CD1-CG 3.97Å; P433-V440 WeakPolarHBondContact CA-O 3.43Å |
| 434 | C | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | trans | -70.2 | 131.3 | 165.9 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | N395 L436 N437 P438 V440 L442 | N395-C434 WeakPolarHBondContact OD1-CA 3.34Å; C434-L436 PolarHBondContact O-N 2.99Å; C434-N437 WeakPolarHBondContact CB-O 3.44Å; C434-N437 CarbonylContact O-C 3.46Å; C434-N437 PolarHBondContact O-N 3.33Å; C434-P438 WeakPolarHBondContact O-CA 3.26Å; C434-V440 HydrophobicContact CB-CB 4.04Å; C434-V440 PolarHBondContact N-O 3.39Å; C434-L442 HydrophobicContact CB-CD1 4.39Å; C434-L442 HydrophobicContact CB-CD2 4.23Å; C434-L442 HydrophobicContact CB-CG 4.29Å | ||
| 435 | A | 94.5 | Very high | 94.6 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -63.2 | -30.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N395 L398 L399 | N395-A435 PolarHBondContact OD1-N 2.72Å; L398-A435 HydrophobicContact CB-CB 3.82Å; L398-A435 HydrophobicContact CD1-CB 4.17Å; L399-A435 HydrophobicContact CD2-CB 4.17Å; L399-A435 HydrophobicContact CG-CB 4.32Å |
| 436 | L | 93.6 | Very high | 94.5 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -85.9 | -24.9 | 178.7 | -59.2 | 177.5 | 0 | 0 | 0 | 113.2 | F349 A352 E353 C434 | F349-L436 HydrophobicContact CB-CD1 4.28Å; F349-L436 HydrophobicContact CD1-CB 4.28Å; F349-L436 HydrophobicContact CD1-CD1 4.38Å; A352-L436 HydrophobicContact CB-CD1 3.42Å; A352-L436 VanDerWaalsContact CB-CD1 3.42Å; E353-L436 HydrophobicContact CG-CD1 3.85Å; C434-L436 PolarHBondContact O-N 2.99Å |
| 437 | N | 93.8 | Very high | 94.3 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | trans | -146 | 94.6 | 176 | -175.1 | -7.4 | 0 | 0 | 0 | 110.6 | F349 C434 K439 V440 | F349-N437 HydrophobicContact CE1-CB 4.06Å; F349-N437 HydrophobicContact CZ-CB 4.09Å; C434-N437 WeakPolarHBondContact CB-O 3.44Å; C434-N437 CarbonylContact O-C 3.46Å; C434-N437 PolarHBondContact O-N 3.33Å; N437-K439 PolarHBondContact O-N 2.83Å; N437-K439 WeakPolarHBondContact OD1-CB 3.33Å; N437-K439 PolarHBondContact OD1-N 2.81Å; N437-V440 HydrophobicContact CB-CG2 4.12Å; N437-V440 PolarHBondContact O-N 3.14Å | ||
| 438 | P | 94.1 | Very high | 94.1 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.6 | -175.1 | -26.5 | 35.2 | 0 | 0 | 0 | 115.4 | R431 C434 V440 | R431-P438 PolarHBondContact NH2-O 3.36Å; C434-P438 WeakPolarHBondContact O-CA 3.26Å; P438-V440 VanDerWaalsContact C-N 3.28Å; P438-V440 PolarHBondContact O-N 3.22Å |
| 439 | K | 93.5 | Very high | 94.1 | Very high | 130 Ų | 130 | 54.7 Ų | 54.7 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -33.5 | 174.9 | -62.8 | -177.7 | 178.9 | -178.6 | 0 | 111.6 | P233 R431 N437 | P233-K439 HydrophobicContact CB-CB 4.37Å; R431-K439 PolarHBondContact NH2-O 2.84Å; N437-K439 PolarHBondContact O-N 2.83Å; N437-K439 WeakPolarHBondContact OD1-CB 3.33Å; N437-K439 PolarHBondContact OD1-N 2.81Å |
| 440 | V | 95.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | trans | -78.1 | 122.5 | -177.6 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | P233 F349 P433 C434 N437 P438 L442 | P233-V440 HydrophobicContact CB-CG2 4.34Å; F349-V440 HydrophobicContact CE2-CG2 4.23Å; F349-V440 HydrophobicContact CZ-CG2 4.12Å; P433-V440 WeakPolarHBondContact CA-O 3.43Å; C434-V440 HydrophobicContact CB-CB 4.04Å; C434-V440 PolarHBondContact N-O 3.39Å; N437-V440 HydrophobicContact CB-CG2 4.12Å; N437-V440 PolarHBondContact O-N 3.14Å; P438-V440 VanDerWaalsContact C-N 3.28Å; P438-V440 PolarHBondContact O-N 3.22Å; V440-L442 HydrophobicContact CG1-CD2 4.29Å | ||
| 441 | N | 95.7 | Very high | 94.1 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -94.6 | 115.4 | 170.4 | -179.5 | 12.6 | 0 | 0 | 0 | 109.6 | G430 R431 L432 F443 C444 | G430-N441 PolarHBondContact O-ND2 3.47Å; G430-N441 VanDerWaalsContact O-ND2 3.11Å; R431-N441 WeakPolarHBondContact CA-OD1 3.37Å; R431-N441 HydrophobicContact CG-CB 4.28Å; L432-N441 PolarHBondContact N-OD1 2.9Å; L432-N441 PolarHBondContact O-OD1 2.73Å; N441-F443 PolarHBondContact O-N 2.74Å; N441-F443 PolarHBondContact OD1-N 3.25Å; N441-C444 HydrophobicContact CB-CB 4.41Å; N441-C444 WeakPolarHBondContact O-CB 3.47Å; N441-C444 PolarHBondContact O-N 3.38Å; N441-C444 PolarHBondContact O-SG 3.28Å |
| 442 | L | 95.2 | Very high | 94 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.8 | -179.6 | -60.2 | 176.1 | 0 | 0 | 0 | 113.6 | Q392 N395 L432 C434 V440 | Q392-L442 HydrophobicContact CG-CB 3.93Å; Q392-L442 PolarHBondContact NE2-O 3.22Å; N395-L442 HydrophobicContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CG-CD1 3.42Å; N395-L442 VanDerWaalsContact ND2-CD1 3.34Å; N395-L442 WeakPolarHBondContact ND2-CD1 3.39Å; L432-L442 HydrophobicContact CB-CB 4.38Å; L432-L442 HydrophobicContact CD2-CB 4.15Å; L432-L442 HydrophobicContact CD2-CD1 4.11Å; L432-L442 HydrophobicContact CG-CB 4.29Å; L432-L442 HydrophobicContact CG-CD1 4.22Å; L432-L442 PolarHBondContact O-N 3.49Å; C434-L442 HydrophobicContact CB-CD1 4.39Å; C434-L442 HydrophobicContact CB-CD2 4.23Å; C434-L442 HydrophobicContact CB-CG 4.29Å; V440-L442 HydrophobicContact CG1-CD2 4.29Å |
| 443 | F | 95.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.1 | 172.8 | -66.3 | -22.2 | 0 | 0 | 0 | 113.5 | L388 Q392 H426 L427 L432 N441 E445 L446 | L388-F443 HydrophobicContact CD2-CE1 4.06Å; L388-F443 HydrophobicContact CD2-CZ 4.47Å; Q392-F443 HydrophobicContact CB-CE1 4.31Å; Q392-F443 HydrophobicContact CG-CD1 4.18Å; Q392-F443 HydrophobicContact CG-CE1 3.99Å; H426-F443 HydrophobicContact CB-CE2 3.86Å; L427-F443 HydrophobicContact CD2-CD2 4.1Å; L427-F443 HydrophobicContact CD2-CE1 4.34Å; L427-F443 HydrophobicContact CD2-CE2 3.56Å; L427-F443 HydrophobicContact CD2-CZ 3.7Å; L427-F443 HydrophobicContact CG-CE2 3.79Å; L427-F443 HydrophobicContact CG-CZ 3.99Å; L432-F443 HydrophobicContact CB-CD1 4.1Å; L432-F443 HydrophobicContact CB-CD2 3.69Å; L432-F443 HydrophobicContact CB-CE1 4.03Å; L432-F443 HydrophobicContact CB-CE2 3.6Å; L432-F443 HydrophobicContact CB-CG 3.95Å; L432-F443 HydrophobicContact CB-CZ 3.78Å; L432-F443 HydrophobicContact CD2-CD1 4.38Å; L432-F443 HydrophobicContact CD2-CE1 3.77Å; L432-F443 HydrophobicContact CD2-CZ 3.85Å; L432-F443 HydrophobicContact CG-CZ 4.41Å; N441-F443 PolarHBondContact O-N 2.74Å; N441-F443 PolarHBondContact OD1-N 3.25Å; F443-E445 PolarHBondContact O-N 3.27Å; F443-L446 HydrophobicContact CB-CD1 4.13Å; F443-L446 HydrophobicContact CD1-CD1 3.5Å; F443-L446 HydrophobicContact CD1-CG 4.48Å; F443-L446 HydrophobicContact CE1-CD1 4.08Å; F443-L446 HydrophobicContact CG-CD1 3.95Å; F443-L446 PolarHBondContact O-N 3Å |
| 444 | C | 91.3 | Very high | 93.8 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 32% | 0.324 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22 | -177.5 | 65 | 0 | 0 | 0 | 0 | 114.4 | N441 | N441-C444 HydrophobicContact CB-CB 4.41Å; N441-C444 WeakPolarHBondContact O-CB 3.47Å; N441-C444 PolarHBondContact O-N 3.38Å; N441-C444 PolarHBondContact O-SG 3.28Å |
| 445 | E | 91.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0.2 | 179.7 | -63.3 | -173.8 | 102.6 | 0 | 0 | 113.8 | H334 R335 R346 F443 | H334-E445 WeakPolarHBondContact CA-OE1 3.17Å; H334-E445 IonicContact CG-OE1 2.64Å; H334-E445 IonicContact ND1-OE1 3.79Å; R335-E445 HydrophobicContact CB-CB 4.35Å; R335-E445 VanDerWaalsContact CZ-O 3.22Å; R335-E445 PolarHBondContact N-OE1 3.44Å; R335-E445 PolarHBondContact NE-O 3.03Å; R335-E445 PolarHBondContact NH2-O 3.37Å; R346-E445 IonicContact CZ-OE1 2.68Å; R346-E445 IonicContact CZ-OE2 3.01Å; R346-E445 VanDerWaalsContact CZ-OE2 3.26Å; R346-E445 IonicContact NH1-OE1 3.96Å; R346-E445 IonicContact NH1-OE2 3.64Å; R346-E445 PolarHBondContact NH1-OE2 3.11Å; R346-E445 IonicContact NH2-OE1 3.75Å; R346-E445 PolarHBondContact NH2-OE1 3.22Å; R346-E445 IonicContact NH2-OE2 2.68Å; R346-E445 PolarHBondContact NH2-OE2 3.04Å; F443-E445 PolarHBondContact O-N 3.27Å |
| 446 | L | 93.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -88.2 | 142.4 | 174 | -61.1 | 179.2 | 0 | 0 | 0 | 109.9 | R387 F443 V451 L454 | R387-L446 HydrophobicContact CB-CD2 4.42Å; F443-L446 HydrophobicContact CB-CD1 4.13Å; F443-L446 HydrophobicContact CD1-CD1 3.5Å; F443-L446 HydrophobicContact CD1-CG 4.48Å; F443-L446 HydrophobicContact CE1-CD1 4.08Å; F443-L446 HydrophobicContact CG-CD1 3.95Å; F443-L446 PolarHBondContact O-N 3Å; L446-V451 HydrophobicContact CB-CG2 3.8Å; L446-V451 HydrophobicContact CD1-CG2 4.25Å; L446-L454 HydrophobicContact CD1-CD1 3.99Å |
| 447 | T | 93.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | trans | -78.8 | 157.9 | 170.9 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | L336 Q449 E450 V451 | L336-T447 HydrophobicContact CD2-CG2 3.9Å; T447-Q449 PolarHBondContact O-N 3.15Å; T447-E450 WeakPolarHBondContact CB-OE2 3.49Å; T447-E450 WeakPolarHBondContact CG2-OE2 3.39Å; T447-E450 PolarHBondContact N-OE2 3.34Å; T447-E450 PolarHBondContact O-N 3.34Å; T447-E450 VanDerWaalsContact O-N 3.11Å; T447-E450 VanDerWaalsContact OG1-CD 3.24Å; T447-E450 VanDerWaalsContact OG1-CG 3.26Å; T447-E450 WeakPolarHBondContact OG1-CG 3.19Å; T447-E450 PolarHBondContact OG1-N 3.39Å; T447-E450 PolarHBondContact OG1-OE2 3.28Å; T447-V451 WeakPolarHBondContact O-CG2 3.32Å; T447-V451 PolarHBondContact O-N 3.03Å | ||
| 448 | E | 91.8 | Very high | 93.5 | Very high | 169 Ų | 169 | 58 Ų | 58 | 79% | 0.79 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -55.7 | -40 | 175.9 | -64 | -179.3 | 175.3 | 0 | 0 | 111.9 | V451 D452 | E448-V451 PolarHBondContact O-N 3.23Å; E448-D452 PolarHBondContact O-N 3.27Å |
| 449 | Q | 92.5 | Very high | 93.4 | Very high | 152 Ų | 152 | 57.8 Ų | 57.8 | 71% | 0.71 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 177 | -176.7 | 179.2 | -8.2 | 0 | 0 | 112.4 | T447 V451 D452 E453 | T447-Q449 PolarHBondContact O-N 3.15Å; Q449-V451 VanDerWaalsContact C-N 3.34Å; Q449-D452 PolarHBondContact O-N 3Å; Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.13Å |
| 450 | E | 93.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 177 | -72.3 | 161 | 145.2 | 0 | 0 | 111.2 | R335 R387 T447 E453 L454 | R335-E450 IonicContact CZ-OE1 2.88Å; R335-E450 IonicContact CZ-OE2 2.61Å; R335-E450 IonicContact NH1-OE1 2.83Å; R335-E450 PolarHBondContact NH1-OE1 2.94Å; R335-E450 IonicContact NH1-OE2 2.85Å; R335-E450 IonicContact NH2-OE1 3Å; R335-E450 PolarHBondContact NH2-OE1 2.84Å; R335-E450 IonicContact NH2-OE2 3.18Å; R335-E450 PolarHBondContact NH2-OE2 3.34Å; R387-E450 IonicContact CZ-OE1 3.72Å; R387-E450 IonicContact NE-OE1 3.78Å; R387-E450 PolarHBondContact NE-OE1 2.89Å; R387-E450 VanDerWaalsContact NE-OE1 3.17Å; T447-E450 WeakPolarHBondContact CB-OE2 3.49Å; T447-E450 WeakPolarHBondContact CG2-OE2 3.39Å; T447-E450 PolarHBondContact N-OE2 3.34Å; T447-E450 PolarHBondContact O-N 3.34Å; T447-E450 VanDerWaalsContact O-N 3.11Å; T447-E450 VanDerWaalsContact OG1-CD 3.24Å; T447-E450 VanDerWaalsContact OG1-CG 3.26Å; T447-E450 WeakPolarHBondContact OG1-CG 3.19Å; T447-E450 PolarHBondContact OG1-N 3.39Å; T447-E450 PolarHBondContact OG1-OE2 3.28Å; E450-E453 PolarHBondContact O-N 3.48Å; E450-L454 VanDerWaalsContact O-CB 3.26Å; E450-L454 WeakPolarHBondContact O-CB 3.3Å; E450-L454 WeakPolarHBondContact O-CD1 3.42Å; E450-L454 WeakPolarHBondContact O-CG 3.48Å; E450-L454 PolarHBondContact O-N 2.71Å |
| 451 | V | 94.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.127 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L427 L446 T447 E448 Q449 G455 | L427-V451 HydrophobicContact CB-CG1 4.17Å; L427-V451 HydrophobicContact CD2-CB 4.47Å; L427-V451 HydrophobicContact CD2-CG1 4Å; L427-V451 HydrophobicContact CD2-CG2 4.47Å; L427-V451 VanDerWaalsContact O-CG1 3.27Å; L427-V451 WeakPolarHBondContact O-CG1 3.19Å; L446-V451 HydrophobicContact CB-CG2 3.8Å; L446-V451 HydrophobicContact CD1-CG2 4.25Å; T447-V451 WeakPolarHBondContact O-CG2 3.32Å; T447-V451 PolarHBondContact O-N 3.03Å; E448-V451 PolarHBondContact O-N 3.23Å; Q449-V451 VanDerWaalsContact C-N 3.34Å; V451-G455 PolarHBondContact O-N 2.94Å |
| 452 | D | 92.5 | Very high | 92.6 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 177.7 | -78 | -14.4 | 0 | 0 | 0 | 112.1 | E448 Q449 G455 Y456 | E448-D452 PolarHBondContact O-N 3.27Å; Q449-D452 PolarHBondContact O-N 3Å; D452-G455 PolarHBondContact O-N 2.8Å; D452-Y456 WeakPolarHBondContact O-CB 3.32Å; D452-Y456 PolarHBondContact O-N 2.83Å |
| 453 | E | 93.9 | Very high | 92.1 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 178.5 | -176.4 | 177.4 | -174.8 | 0 | 0 | 112 | Q449 E450 T457 | Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.13Å; E450-E453 PolarHBondContact O-N 3.48Å; E453-T457 WeakPolarHBondContact O-CB 3.3Å; E453-T457 PolarHBondContact O-N 3Å; E453-T457 PolarHBondContact O-OG1 2.9Å |
| 454 | L | 94.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 174.9 | -72.4 | 171.9 | 0 | 0 | 0 | 111 | A384 L385 R387 L388 L427 L446 E450 T457 L458 | A384-L454 VanDerWaalsContact O-CD2 3.31Å; A384-L454 WeakPolarHBondContact O-CD2 3.25Å; L385-L454 HydrophobicContact CD2-CD2 3.84Å; R387-L454 HydrophobicContact CB-CD1 4.28Å; R387-L454 HydrophobicContact CB-CD2 4.5Å; L388-L454 HydrophobicContact CD1-CD2 4.13Å; L388-L454 HydrophobicContact CD2-CD1 4.01Å; L388-L454 HydrophobicContact CG-CD1 4.1Å; L388-L454 HydrophobicContact CG-CD2 3.86Å; L427-L454 HydrophobicContact CD1-CB 3.91Å; L427-L454 HydrophobicContact CD2-CB 4.21Å; L427-L454 HydrophobicContact CD2-CD1 4.34Å; L446-L454 HydrophobicContact CD1-CD1 3.99Å; E450-L454 VanDerWaalsContact O-CB 3.26Å; E450-L454 WeakPolarHBondContact O-CB 3.3Å; E450-L454 WeakPolarHBondContact O-CD1 3.42Å; E450-L454 WeakPolarHBondContact O-CG 3.48Å; E450-L454 PolarHBondContact O-N 2.71Å; L454-T457 PolarHBondContact O-N 2.82Å; L454-L458 WeakPolarHBondContact O-CB 3.39Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 2.94Å |
| 455 | G | 93.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 59 Ų | 59 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -47.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V451 D452 L458 Y459 | V451-G455 PolarHBondContact O-N 2.94Å; D452-G455 PolarHBondContact O-N 2.8Å; G455-L458 PolarHBondContact O-N 3.18Å; G455-Y459 VanDerWaalsContact O-CB 3.26Å; G455-Y459 WeakPolarHBondContact O-CB 3.45Å; G455-Y459 PolarHBondContact O-N 3.13Å |
| 456 | Y | 92.2 | Very high | 90.8 | Very high | 153 Ų | 153 | 59.1 Ų | 59.1 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 177.5 | 179.5 | -105.6 | 0 | 0 | 0 | 112.1 | D452 L458 Y459 C460 | D452-Y456 WeakPolarHBondContact O-CB 3.32Å; D452-Y456 PolarHBondContact O-N 2.83Å; Y456-L458 PolarHBondContact O-N 3.03Å; Y456-Y459 PolarHBondContact O-N 2.99Å; Y456-C460 VanDerWaalsContact CZ-SG 3.57Å; Y456-C460 PolarHBondContact O-N 3.15Å; Y456-C460 PolarHBondContact O-SG 2.76Å; Y456-C460 VanDerWaalsContact O-SG 3.41Å |
| 457 | T | 92.9 | Very high | 90.3 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | A384 L385 E453 L454 Y459 C460 A461 | A384-T457 HydrophobicContact CB-CG2 3.91Å; L385-T457 HydrophobicContact CD1-CG2 4.44Å; L385-T457 HydrophobicContact CD2-CG2 3.76Å; L385-T457 HydrophobicContact CG-CG2 3.97Å; E453-T457 WeakPolarHBondContact O-CB 3.3Å; E453-T457 PolarHBondContact O-N 3Å; E453-T457 PolarHBondContact O-OG1 2.9Å; L454-T457 PolarHBondContact O-N 2.82Å; T457-Y459 VanDerWaalsContact C-N 3.34Å; T457-C460 PolarHBondContact O-N 3.15Å; T457-A461 PolarHBondContact O-N 3.05Å |
| 458 | L | 93.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 177.4 | -68.4 | 173.6 | 0 | 0 | 0 | 112.1 | L385 L388 L420 L423 V424 L427 L454 G455 Y456 A461 L462 | L385-L458 HydrophobicContact CD1-CD2 3.98Å; L385-L458 HydrophobicContact CD2-CD2 3.86Å; L385-L458 HydrophobicContact CD2-CG 3.87Å; L388-L458 HydrophobicContact CD1-CD1 4.18Å; L420-L458 HydrophobicContact CD2-CD2 3.85Å; L423-L458 HydrophobicContact CB-CD1 3.98Å; V424-L458 HydrophobicContact CG2-CB 3.55Å; L427-L458 HydrophobicContact CD1-CD1 3.62Å; L454-L458 WeakPolarHBondContact O-CB 3.39Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 2.94Å; G455-L458 PolarHBondContact O-N 3.18Å; Y456-L458 PolarHBondContact O-N 3.03Å; L458-A461 WeakPolarHBondContact O-CB 3.49Å; L458-A461 PolarHBondContact O-N 3.07Å; L458-L462 WeakPolarHBondContact O-CG 3.4Å; L458-L462 PolarHBondContact O-N 2.91Å |
| 459 | Y | 91.8 | Very high | 89.4 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.7 | -173.2 | -90.1 | 0 | 0 | 0 | 112.1 | V424 G455 Y456 T457 A461 L462 | V424-Y459 HydrophobicContact CG1-CD2 4.47Å; G455-Y459 VanDerWaalsContact O-CB 3.26Å; G455-Y459 WeakPolarHBondContact O-CB 3.45Å; G455-Y459 PolarHBondContact O-N 3.13Å; Y456-Y459 PolarHBondContact O-N 2.99Å; T457-Y459 VanDerWaalsContact C-N 3.34Å; Y459-A461 VanDerWaalsContact C-N 3.28Å; Y459-A461 PolarHBondContact O-N 3.32Å; Y459-L462 WeakPolarHBondContact O-CB 3.35Å; Y459-L462 PolarHBondContact O-N 2.93Å; Y459-L462 VanDerWaalsContact O-N 3.15Å |
| 460 | C | 89.4 | Confident | 88.4 | Confident | 44 Ų | 44 | 53 Ų | 53 | 30% | 0.297 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 172.5 | -71 | 0 | 0 | 0 | 0 | 111.2 | Y456 T457 L462 S463 D464 | Y456-C460 VanDerWaalsContact CZ-SG 3.57Å; Y456-C460 PolarHBondContact O-N 3.15Å; Y456-C460 PolarHBondContact O-SG 2.76Å; Y456-C460 VanDerWaalsContact O-SG 3.41Å; T457-C460 PolarHBondContact O-N 3.15Å; C460-L462 VanDerWaalsContact C-N 3.26Å; C460-L462 PolarHBondContact O-N 3.3Å; C460-S463 WeakPolarHBondContact O-CB 3.3Å; C460-S463 PolarHBondContact O-N 3.05Å; C460-S463 VanDerWaalsContact O-N 3.1Å; C460-D464 PolarHBondContact O-N 2.81Å |
| 461 | A | 89.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -22.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T457 L458 Y459 S463 D464 P465 L468 | T457-A461 PolarHBondContact O-N 3.05Å; L458-A461 WeakPolarHBondContact O-CB 3.49Å; L458-A461 PolarHBondContact O-N 3.07Å; Y459-A461 VanDerWaalsContact C-N 3.28Å; Y459-A461 PolarHBondContact O-N 3.32Å; A461-S463 PolarHBondContact O-N 3.09Å; A461-D464 CarbonylContact O-C 3.57Å; A461-P465 WeakPolarHBondContact O-CA 3.44Å; A461-L468 HydrophobicContact CB-CD1 3.35Å; A461-L468 HydrophobicContact CB-CD2 3.9Å; A461-L468 HydrophobicContact CB-CG 3.43Å; A461-L468 VanDerWaalsContact CB-CG 3.43Å |
| 462 | L | 88.3 | Confident | 84.3 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 22% | 0.22 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -26 | 173.2 | -73.5 | 172.6 | 0 | 0 | 0 | 112.7 | L420 R421 V424 L458 Y459 C460 | L420-L462 HydrophobicContact CB-CD2 3.56Å; L420-L462 HydrophobicContact CB-CG 4.39Å; L420-L462 HydrophobicContact CD1-CD2 4.39Å; R421-L462 HydrophobicContact CG-CD1 3.98Å; R421-L462 HydrophobicContact CG-CD2 3.55Å; R421-L462 HydrophobicContact CG-CG 4.44Å; V424-L462 HydrophobicContact CG2-CD1 4.08Å; L458-L462 WeakPolarHBondContact O-CG 3.4Å; L458-L462 PolarHBondContact O-N 2.91Å; Y459-L462 WeakPolarHBondContact O-CB 3.35Å; Y459-L462 PolarHBondContact O-N 2.93Å; Y459-L462 VanDerWaalsContact O-N 3.15Å; C460-L462 VanDerWaalsContact C-N 3.26Å; C460-L462 PolarHBondContact O-N 3.3Å |
| 463 | S | 84.2 | Confident | 81.5 | Confident | 103 Ų | 103 | 52.3 Ų | 52.3 | 72% | 0.72 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -81.9 | -36.4 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | C460 A461 | C460-S463 WeakPolarHBondContact O-CB 3.3Å; C460-S463 PolarHBondContact O-N 3.05Å; C460-S463 VanDerWaalsContact O-N 3.1Å; A461-S463 PolarHBondContact O-N 3.09Å |
| 464 | D | 83.9 | Confident | 78.4 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | trans | -135.2 | 85 | 173.5 | -173.6 | 4.1 | 0 | 0 | 0 | 110.7 | C460 A461 E466 Q467 | C460-D464 PolarHBondContact O-N 2.81Å; A461-D464 CarbonylContact O-C 3.57Å; D464-E466 PolarHBondContact O-N 2.96Å; D464-E466 WeakPolarHBondContact OD1-CB 3.49Å; D464-E466 PolarHBondContact OD1-N 2.56Å; D464-Q467 HydrophobicContact CB-CB 4.48Å; D464-Q467 WeakPolarHBondContact O-CB 3.38Å; D464-Q467 PolarHBondContact O-N 3.34Å | ||
| 465 | P | 84.1 | Confident | 75.7 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 13% | 0.13 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.4 | -20.4 | -176.8 | 28.4 | -36.7 | 0 | 0 | 0 | 112.5 | L140 L417 A461 Q467 L468 | L140-P465 HydrophobicContact CD1-CB 4.2Å; L140-P465 HydrophobicContact CD1-CG 4.04Å; L140-P465 HydrophobicContact CD2-CB 4.27Å; L140-P465 HydrophobicContact CD2-CG 3.89Å; L417-P465 HydrophobicContact CD2-CB 3.75Å; L417-P465 HydrophobicContact CD2-CG 3.95Å; A461-P465 WeakPolarHBondContact O-CA 3.44Å; P465-Q467 PolarHBondContact O-N 3.42Å; P465-L468 PolarHBondContact O-N 3.45Å |
| 466 | E | 82.6 | Confident | 74.8 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.2 | -25.9 | 179.1 | -53.6 | -178.1 | 149 | 0 | 0 | 111 | L140 R143 D464 L468 L469 R470 | L140-E466 HydrophobicContact CD1-CG 4.26Å; R143-E466 WeakPolarHBondContact CD-OE1 3.48Å; R143-E466 IonicContact CZ-OE1 2.68Å; R143-E466 IonicContact CZ-OE2 2.97Å; R143-E466 IonicContact NE-OE1 3.68Å; R143-E466 PolarHBondContact NE-OE1 2.69Å; R143-E466 IonicContact NE-OE2 3.31Å; R143-E466 IonicContact NH1-OE1 3.03Å; R143-E466 PolarHBondContact NH1-OE1 2.73Å; R143-E466 IonicContact NH1-OE2 3.29Å; R143-E466 PolarHBondContact NH1-OE2 3.28Å; R143-E466 VanDerWaalsContact NH2-CD 3.3Å; R143-E466 IonicContact NH2-OE1 3.42Å; R143-E466 PolarHBondContact NH2-OE1 3.08Å; R143-E466 IonicContact NH2-OE2 3.03Å; R143-E466 PolarHBondContact NH2-OE2 3.31Å; D464-E466 PolarHBondContact O-N 2.96Å; D464-E466 WeakPolarHBondContact OD1-CB 3.49Å; D464-E466 PolarHBondContact OD1-N 2.56Å; E466-L468 VanDerWaalsContact C-N 3.3Å; E466-L468 PolarHBondContact O-N 3.31Å; E466-L469 PolarHBondContact O-N 2.85Å; E466-L469 VanDerWaalsContact O-N 3.09Å; E466-R470 WeakPolarHBondContact O-CB 3.44Å; E466-R470 WeakPolarHBondContact O-CG 3.46Å; E466-R470 PolarHBondContact O-N 3.16Å; E466-R470 IonicContact OE2-NH2 3.74Å |
| 467 | Q | 83.5 | Confident | 73.8 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 176 | -169.6 | 178.7 | 2.3 | 0 | 0 | 111.7 | D464 P465 L469 R470 T471 | D464-Q467 HydrophobicContact CB-CB 4.48Å; D464-Q467 WeakPolarHBondContact O-CB 3.38Å; D464-Q467 PolarHBondContact O-N 3.34Å; P465-Q467 PolarHBondContact O-N 3.42Å; Q467-L469 PolarHBondContact O-N 2.81Å; Q467-R470 PolarHBondContact O-N 3.07Å; Q467-R470 VanDerWaalsContact O-N 3.1Å; Q467-T471 HydrophobicContact CG-CG2 4.31Å; Q467-T471 PolarHBondContact O-N 3.47Å; Q467-T471 PolarHBondContact O-OG1 3.46Å; Q467-T471 VanDerWaalsContact O-OG1 3.06Å |
| 468 | L | 83.1 | Confident | 72.8 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -27.1 | 176.8 | -73 | -178.6 | 0 | 0 | 0 | 113.3 | N382 L385 L420 A461 P465 E466 | N382-L468 PolarHBondContact ND2-O 3.11Å; L385-L468 HydrophobicContact CD1-CD2 3.77Å; L420-L468 HydrophobicContact CD1-CD1 4.04Å; L420-L468 HydrophobicContact CD2-CD1 4.07Å; A461-L468 HydrophobicContact CB-CD1 3.35Å; A461-L468 HydrophobicContact CB-CD2 3.9Å; A461-L468 HydrophobicContact CB-CG 3.43Å; A461-L468 VanDerWaalsContact CB-CG 3.43Å; P465-L468 PolarHBondContact O-N 3.45Å; E466-L468 VanDerWaalsContact C-N 3.3Å; E466-L468 PolarHBondContact O-N 3.31Å |
| 469 | L | 84 | Confident | 71.6 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -85.9 | -24.4 | 178.3 | -49.1 | -179.7 | 0 | 0 | 0 | 111.2 | L140 R143 L144 F147 E466 Q467 | L140-L469 HydrophobicContact CD1-CD1 4.11Å; R143-L469 HydrophobicContact CB-CD1 4.34Å; L144-L469 HydrophobicContact CD2-CD1 3.74Å; L144-L469 HydrophobicContact CD2-CD2 3.73Å; L144-L469 HydrophobicContact CD2-CG 4.38Å; L144-L469 HydrophobicContact CG-CD1 4.02Å; F147-L469 HydrophobicContact CD1-CD2 3.77Å; F147-L469 HydrophobicContact CD2-CB 4.28Å; F147-L469 HydrophobicContact CD2-CD2 4.49Å; F147-L469 HydrophobicContact CE1-CD2 4.02Å; F147-L469 HydrophobicContact CG-CB 4.36Å; F147-L469 HydrophobicContact CG-CD2 4.02Å; F147-L469 HydrophobicContact CZ-CD2 4.5Å; E466-L469 PolarHBondContact O-N 2.85Å; E466-L469 VanDerWaalsContact O-N 3.09Å; Q467-L469 PolarHBondContact O-N 2.81Å |
| 470 | R | 71.7 | Confident | 70.3 | Confident | 138 Ų | 138 | 68.1 Ų | 68.1 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -92.2 | -29.2 | -176.5 | -76.9 | 178.9 | 178.8 | 172.5 | 2 | 115.1 | E466 Q467 A472 A473 | E466-R470 WeakPolarHBondContact O-CB 3.44Å; E466-R470 WeakPolarHBondContact O-CG 3.46Å; E466-R470 PolarHBondContact O-N 3.16Å; E466-R470 IonicContact OE2-NH2 3.74Å; Q467-R470 PolarHBondContact O-N 3.07Å; Q467-R470 VanDerWaalsContact O-N 3.1Å; R470-A472 PolarHBondContact O-N 3.45Å; R470-A473 PolarHBondContact O-N 3.49Å |
| 471 | T | 56.1 | Low | 69.1 | Low | 62 Ų | 62 | 69.7 Ų | 69.7 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 2.3 | 176.6 | 38.7 | 0 | 0 | 0 | 0 | 113.8 | N382 Q467 | N382-T471 VanDerWaalsContact CG-OG1 3.23Å; N382-T471 PolarHBondContact ND2-OG1 3.43Å; N382-T471 VanDerWaalsContact ND2-OG1 3.14Å; N382-T471 VanDerWaalsContact OD1-CB 3.22Å; N382-T471 WeakPolarHBondContact OD1-CB 3.36Å; N382-T471 PolarHBondContact OD1-OG1 3.25Å; Q467-T471 HydrophobicContact CG-CG2 4.31Å; Q467-T471 PolarHBondContact O-N 3.47Å; Q467-T471 PolarHBondContact O-OG1 3.46Å; Q467-T471 VanDerWaalsContact O-OG1 3.06Å |
| 472 | A | 45.3 | Very low | 67.6 | Low | 16 Ų | 16 | 74.5 Ų | 74.5 | 13% | 0.132 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 5.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F147 R151 L381 R470 | F147-A472 HydrophobicContact CE2-CB 4.49Å; R151-A472 PolarHBondContact NH2-O 3.02Å; L381-A472 HydrophobicContact CB-CB 4.29Å; L381-A472 HydrophobicContact CD1-CB 3.65Å; L381-A472 HydrophobicContact CD2-CB 4.42Å; L381-A472 HydrophobicContact CG-CB 4.32Å; R470-A472 PolarHBondContact O-N 3.45Å |
| 473 | A | 33.3 | Very low | 66 | Low | 68 Ų | 68 | 77 Ų | 77 | 56% | 0.562 | 43% | 0.433 | S | S | * | . | trans | -110.2 | 124.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108 | R470 | R470-A473 PolarHBondContact O-N 3.49Š| ||
| 474 | E | 29.5 | Very low | 64.5 | Low | 179 Ų | 179 | 74.8 Ų | 74.8 | 84% | 0.836 | 41% | 0.409 | S | S | * | . | cis | -143.2 | 163.1 | 28.6 | -65.9 | 175.5 | 142.1 | 0 | 0 | 109.5 | ||||
| 475 | P | 37.2 | Very low | 62.8 | Low | 195 Ų | 195 | 76 Ų | 76 | 100% | 1.266 | 42% | 0.416 | S | S | * | . | trans | -65.3 | 0 | 158.6 | 30.1 | -33.8 | 0 | 0 | 0 | 112.8 |
Retrieved 475 of 475 residues in 315.1 ms
(Link to these results)