| 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 | F | 32.4 | Very low | 32.7 | Very low | 258 Ų | 258 | 163.2 Ų | 163.2 | 100% | 1.132 | 85% | 0.848 | S | S | * | * | 0 | 96.9 | 0 | -86.2 | -87.5 | 0 | 0 | 0 | 107.6 | |||||
| 2 | D | 33.9 | Very low | 32.8 | Very low | 147 Ų | 147 | 166.3 Ų | 166.3 | 79% | 0.786 | 86% | 0.856 | S | S | * | * | trans | 42.8 | 127.1 | 141.6 | -78.9 | -13.4 | 0 | 0 | 0 | 124.6 | ||||
| 3 | L | 35 | Very low | 32.7 | Very low | 133 Ų | 133 | 161 Ų | 161 | 70% | 0.696 | 85% | 0.852 | S | S | * | * | trans | 93.9 | 127.2 | 133.4 | -93 | 103.7 | 0 | 0 | 0 | 123.2 | ||||
| 4 | M | 36.2 | Very low | 32.7 | Very low | 165 Ų | 165 | 157 Ų | 157 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | trans | 85.1 | 91.4 | 145.8 | -66.2 | -173.1 | 174.2 | 0 | 0 | 121.5 | ||||
| 5 | E | 37.3 | Very low | 33.1 | Very low | 177 Ų | 177 | 158.7 Ų | 158.7 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | 17.9 | 125.3 | 109.9 | -139 | 162.2 | 161 | 0 | 0 | 119.2 | |||||
| 6 | D | 31.8 | Very low | 33.4 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 90% | 0.904 | 84% | 0.844 | S | S | * | * | trans | -142 | 124.5 | 152.4 | -142.5 | -6.9 | 0 | 0 | 0 | 109.9 | ||||
| 7 | R | 34.2 | Very low | 33.9 | Very low | 213 Ų | 213 | 156.9 Ų | 156.9 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -122.3 | 108 | -172.7 | -176.2 | 177.8 | 168.4 | -178.1 | -4.3 | 108.3 | ||||
| 8 | N | 29 | Very low | 34.3 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -73 | 132.2 | 166.4 | -153.6 | 27.8 | 0 | 0 | 0 | 108.8 | ||||
| 9 | G | 29.8 | Very low | 34.8 | Very low | 66 Ų | 66 | 148.3 Ų | 148.3 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | -147.9 | 121.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 10 | D | 34.3 | Very low | 35 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -50.1 | 157.2 | 179.7 | -70.6 | -49.2 | 0 | 0 | 0 | 116.4 | ||||
| 11 | C | 26.4 | Very low | 35.3 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 91% | 0.912 | 78% | 0.775 | S | S | * | * | trans | -162.1 | 107.8 | 132.3 | -95.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 12 | Q | 33.7 | Very low | 35.8 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 94% | 0.939 | 75% | 0.751 | S | S | * | * | trans | -73.4 | 125.4 | 156.3 | -82.8 | 177.2 | -36.4 | 0 | 0 | 109.4 | ||||
| 13 | A | 31.5 | Very low | 36.4 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -173.8 | 141 | 147.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 14 | S | 33 | Very low | 36.7 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | 83.9 | 77.8 | 167.8 | -65.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 15 | E | 38.2 | Very low | 37.1 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | trans | -111.1 | 1.6 | 155.7 | -82.1 | -173.7 | 144.6 | 0 | 0 | 113.6 | ||||
| 16 | E | 38.1 | Very low | 37.4 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 84% | 0.841 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -90.3 | 0.8 | -174.3 | -70.6 | -171.7 | 159.1 | 0 | 0 | 115.6 | ||
| 17 | T | 40.9 | Very low | 37.9 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -107.3 | -7.9 | -177.4 | 37.3 | 0 | 0 | 0 | 0 | 115.7 | S21 | T17-S21 PolarHBondContact O-OG 3Š|
| 18 | A | 41.3 | Very low | 38.1 | Very low | 61 Ų | 61 | 122 Ų | 122 | 50% | 0.504 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -86.8 | -31.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S21 E22 | A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-OG 3.14Å; A18-S21 VanDerWaalsContact O-OG 3.09Å; A18-E22 PolarHBondContact O-N 3.1Å |
| 19 | V | 44 | Very low | 38.6 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 53% | 0.533 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -76.5 | -35.9 | -175.7 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | S21 E22 I23 | V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.3Å; V19-E22 PolarHBondContact O-N 3.27Å; V19-I23 HydrophobicContact CG1-CD1 3.96Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.27Å; V19-I23 PolarHBondContact O-N 3.42Å; V19-I23 VanDerWaalsContact O-N 3.1Å |
| 20 | D | 39.3 | Very low | 39 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.1 | -25.5 | 177 | -88.1 | -10.6 | 0 | 0 | 0 | 113.3 | R24 | D20-R24 VanDerWaalsContact O-CB 3.27Å; D20-R24 WeakPolarHBondContact O-CB 3.29Å; D20-R24 PolarHBondContact O-N 2.6Å; D20-R24 VanDerWaalsContact O-N 3.14Å |
| 21 | S | 41.3 | Very low | 39.1 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 43% | 0.434 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -77.7 | -35.3 | 176 | 35.3 | 0 | 0 | 0 | 0 | 111.9 | T17 A18 V19 Q25 | T17-S21 PolarHBondContact O-OG 3Å; A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-OG 3.14Å; A18-S21 VanDerWaalsContact O-OG 3.09Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.3Å; S21-Q25 WeakPolarHBondContact O-CB 3.17Å; S21-Q25 PolarHBondContact O-N 3.12Å |
| 22 | E | 43.2 | Very low | 39.4 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70 | -38.2 | 171.8 | -91.3 | -174.4 | 145.9 | 0 | 0 | 113.2 | A18 V19 R24 Q25 T26 | A18-E22 PolarHBondContact O-N 3.1Å; V19-E22 PolarHBondContact O-N 3.27Å; E22-R24 VanDerWaalsContact C-N 3.33Å; E22-Q25 PolarHBondContact O-N 3.05Å; E22-T26 WeakPolarHBondContact O-CB 3.17Å; E22-T26 WeakPolarHBondContact O-CG2 3.3Å; E22-T26 PolarHBondContact O-N 3.19Å; E22-T26 PolarHBondContact O-OG1 2.9Å |
| 23 | I | 45.5 | Very low | 39.6 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 43% | 0.426 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68 | -36 | 175.9 | -65.3 | 168.1 | 0 | 0 | 0 | 110.7 | V19 T26 Q27 | V19-I23 HydrophobicContact CG1-CD1 3.96Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.27Å; V19-I23 PolarHBondContact O-N 3.42Å; V19-I23 VanDerWaalsContact O-N 3.1Å; I23-T26 WeakPolarHBondContact CA-OG1 3.46Å; I23-T26 PolarHBondContact O-OG1 3.42Å; I23-T26 VanDerWaalsContact O-OG1 3.12Å; I23-Q27 WeakPolarHBondContact O-CB 3.5Å; I23-Q27 PolarHBondContact O-N 2.97Å |
| 24 | R | 41.8 | Very low | 39.8 | Very low | 193 Ų | 193 | 117.2 Ų | 117.2 | 73% | 0.728 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.4 | -34.2 | 176.8 | -154.4 | 174 | -166.4 | 179.8 | 4.3 | 112.4 | D20 E22 T28 | D20-R24 VanDerWaalsContact O-CB 3.27Å; D20-R24 WeakPolarHBondContact O-CB 3.29Å; D20-R24 PolarHBondContact O-N 2.6Å; D20-R24 VanDerWaalsContact O-N 3.14Å; E22-R24 VanDerWaalsContact C-N 3.33Å; R24-T28 WeakPolarHBondContact O-CB 3.22Å; R24-T28 PolarHBondContact O-N 3.19Å; R24-T28 PolarHBondContact O-OG1 3.39Å |
| 25 | Q | 45.5 | Very low | 40 | Very low | 129 Ų | 129 | 120 Ų | 120 | 60% | 0.603 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.6 | -42.7 | 172.2 | -112.3 | 166.6 | -12.9 | 0 | 0 | 111.9 | S21 E22 Q27 T28 D29 | S21-Q25 WeakPolarHBondContact O-CB 3.17Å; S21-Q25 PolarHBondContact O-N 3.12Å; E22-Q25 PolarHBondContact O-N 3.05Å; Q25-Q27 PolarHBondContact O-N 2.75Å; Q25-T28 PolarHBondContact O-N 2.88Å; Q25-D29 WeakPolarHBondContact O-CB 3.46Å; Q25-D29 PolarHBondContact O-N 3.17Å |
| 26 | T | 42.5 | Very low | 40.4 | Very low | 86 Ų | 86 | 121 Ų | 121 | 53% | 0.528 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.8 | -33 | 177.1 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | E22 I23 Q30 | E22-T26 WeakPolarHBondContact O-CB 3.17Å; E22-T26 WeakPolarHBondContact O-CG2 3.3Å; E22-T26 PolarHBondContact O-N 3.19Å; E22-T26 PolarHBondContact O-OG1 2.9Å; I23-T26 WeakPolarHBondContact CA-OG1 3.46Å; I23-T26 PolarHBondContact O-OG1 3.42Å; I23-T26 VanDerWaalsContact O-OG1 3.12Å; T26-Q30 WeakPolarHBondContact O-CB 3.41Å; T26-Q30 PolarHBondContact O-N 3.31Å |
| 27 | Q | 42.7 | Very low | 41.5 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.8 | -37.1 | 170 | -83.4 | -175.8 | -6.5 | 0 | 0 | 113 | I23 Q25 D29 Q30 Q31 | I23-Q27 WeakPolarHBondContact O-CB 3.5Å; I23-Q27 PolarHBondContact O-N 2.97Å; Q25-Q27 PolarHBondContact O-N 2.75Å; Q27-D29 VanDerWaalsContact C-N 3.34Å; Q27-Q30 PolarHBondContact O-N 2.59Å; Q27-Q31 VanDerWaalsContact O-CB 3.29Å; Q27-Q31 WeakPolarHBondContact O-CB 3.22Å; Q27-Q31 PolarHBondContact O-N 2.65Å |
| 28 | T | 39.1 | Very low | 43.4 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.2 | -31.4 | 177.7 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | R24 Q25 T32 | R24-T28 WeakPolarHBondContact O-CB 3.22Å; R24-T28 PolarHBondContact O-N 3.19Å; R24-T28 PolarHBondContact O-OG1 3.39Å; Q25-T28 PolarHBondContact O-N 2.88Å; T28-T32 WeakPolarHBondContact O-CB 3.25Å; T28-T32 WeakPolarHBondContact O-CG2 3.48Å; T28-T32 PolarHBondContact O-N 2.95Å; T28-T32 VanDerWaalsContact O-N 3.12Å; T28-T32 PolarHBondContact O-OG1 3.42Å |
| 29 | D | 37.8 | Very low | 45.5 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -79.3 | -25.5 | 174.6 | -73.9 | -19 | 0 | 0 | 0 | 113.6 | Q25 Q27 N33 | Q25-D29 WeakPolarHBondContact O-CB 3.46Å; Q25-D29 PolarHBondContact O-N 3.17Å; Q27-D29 VanDerWaalsContact C-N 3.34Å; D29-N33 PolarHBondContact O-ND2 3.26Å |
| 30 | Q | 38.2 | Very low | 47.6 | Very low | 147 Ų | 147 | 115.7 Ų | 115.7 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.1 | -36.8 | 167.7 | -95.6 | -179.8 | 7.3 | 0 | 0 | 112.1 | T26 Q27 N33 | T26-Q30 WeakPolarHBondContact O-CB 3.41Å; T26-Q30 PolarHBondContact O-N 3.31Å; Q27-Q30 PolarHBondContact O-N 2.59Å; Q30-N33 PolarHBondContact O-N 3.3Å |
| 31 | Q | 36.3 | Very low | 50 | Low | 157 Ų | 157 | 110.9 Ų | 110.9 | 73% | 0.734 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -79.9 | -21.1 | -176.2 | -160.7 | 158.3 | -23.5 | 0 | 0 | 113.4 | Q27 | Q27-Q31 VanDerWaalsContact O-CB 3.29Å; Q27-Q31 WeakPolarHBondContact O-CB 3.22Å; Q27-Q31 PolarHBondContact O-N 2.65Å |
| 32 | T | 34.2 | Very low | 52.1 | Low | 95 Ų | 95 | 108 Ų | 108 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -86.9 | -15 | 172.4 | 46.4 | 0 | 0 | 0 | 0 | 114.1 | T28 | T28-T32 WeakPolarHBondContact O-CB 3.25Å; T28-T32 WeakPolarHBondContact O-CG2 3.48Å; T28-T32 PolarHBondContact O-N 2.95Å; T28-T32 VanDerWaalsContact O-N 3.12Å; T28-T32 PolarHBondContact O-OG1 3.42Å |
| 33 | N | 37.5 | Very low | 54.3 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -86.3 | -9 | 179 | -90.6 | -46.8 | 0 | 0 | 0 | 115 | D29 Q30 N35 R36 | D29-N33 PolarHBondContact O-ND2 3.26Å; Q30-N33 PolarHBondContact O-N 3.3Å; N33-N35 PolarHBondContact O-N 3.39Å; N33-N35 VanDerWaalsContact O-N 3.17Å; N33-R36 PolarHBondContact O-N 2.93Å |
| 34 | N | 35.3 | Very low | 56.5 | Low | 136 Ų | 136 | 103.3 Ų | 103.3 | 73% | 0.727 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -70.6 | -7.7 | -179.9 | -77.4 | -15.1 | 0 | 0 | 0 | 114.6 | ||
| 35 | N | 37.9 | Very low | 58.8 | Low | 163 Ų | 163 | 94.7 Ų | 94.7 | 87% | 0.872 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -105.8 | 7.4 | 177.9 | -82.8 | -15.1 | 0 | 0 | 0 | 114.4 | N33 S37 | N33-N35 PolarHBondContact O-N 3.39Å; N33-N35 VanDerWaalsContact O-N 3.17Å; N35-S37 PolarHBondContact O-N 3.24Å |
| 36 | R | 47.2 | Very low | 60.9 | Low | 204 Ų | 204 | 88.7 Ų | 88.7 | 77% | 0.77 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -77.2 | 121.5 | 170.8 | -149.3 | 175 | -162.2 | 179.8 | 5.9 | 107.7 | N33 R38 | N33-R36 PolarHBondContact O-N 2.93Å; R36-R38 PolarHBondContact O-N 3.25Å; R36-R38 VanDerWaalsContact O-N 3.08Å |
| 37 | S | 60 | Low | 63.2 | Low | 72 Ų | 72 | 86 Ų | 86 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | trans | -48.4 | 122.3 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 109.1 | N35 W39 | N35-S37 PolarHBondContact O-N 3.24Å; S37-W39 PolarHBondContact O-N 2.91Å; S37-W39 PolarHBondContact OG-O 3.11Å | ||
| 38 | R | 81.5 | Confident | 65.4 | Low | 161 Ų | 161 | 80.2 Ų | 80.2 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -49.8 | -25 | -179.1 | -169.9 | 170.6 | 82.7 | 134.6 | 7.7 | 112.9 | R36 E70 | R36-R38 PolarHBondContact O-N 3.25Å; R36-R38 VanDerWaalsContact O-N 3.08Å; R38-E70 IonicContact CZ-OE2 3Å; R38-E70 IonicContact NH1-OE2 3.1Å; R38-E70 VanDerWaalsContact NH2-CA 3.31Å; R38-E70 PolarHBondContact NH2-O 3.06Å; R38-E70 IonicContact NH2-OE2 3.9Å; R38-E70 PolarHBondContact NH2-OE2 3.18Å |
| 39 | W | 85.5 | Confident | 67.6 | Low | 40 Ų | 40 | 79.4 Ų | 79.4 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | trans | -106.4 | 146.2 | -175.4 | -58.9 | 106.7 | 0 | 0 | 0 | 113.3 | S37 Q43 V45 E70 F72 Y203 | S37-W39 PolarHBondContact O-N 2.91Å; S37-W39 PolarHBondContact OG-O 3.11Å; W39-Q43 HydrophobicContact CE3-CB 4.18Å; W39-Q43 HydrophobicContact CZ3-CB 4.48Å; W39-V45 HydrophobicContact CD2-CG2 4.37Å; W39-V45 HydrophobicContact CE3-CG2 4.11Å; W39-V45 HydrophobicContact CH2-CB 4.42Å; W39-V45 HydrophobicContact CH2-CG1 4.18Å; W39-V45 HydrophobicContact CH2-CG2 4.16Å; W39-V45 HydrophobicContact CZ2-CG1 4.19Å; W39-V45 HydrophobicContact CZ2-CG2 4.4Å; W39-V45 HydrophobicContact CZ3-CG2 4Å; W39-E70 HydrophobicContact CH2-CB 4.36Å; W39-E70 HydrophobicContact CH2-CG 4.31Å; W39-E70 VanDerWaalsContact CH2-OE2 3.3Å; W39-E70 WeakPolarHBondContact CH2-OE2 3.4Å; W39-E70 HydrophobicContact CZ2-CB 3.86Å; W39-E70 HydrophobicContact CZ2-CG 4.28Å; W39-E70 VanDerWaalsContact CZ2-OE2 3.25Å; W39-E70 WeakPolarHBondContact CZ2-OE2 3.42Å; W39-F72 AromaticContact CD1-CZ 3.86Å; W39-F72 AromaticContact CE2-CE2 3.82Å; W39-F72 HydrophobicContact CG-CZ 4.5Å; W39-F72 HydrophobicContact CZ2-CE2 4.12Å; W39-F72 AromaticContact NE1-CE2 3.46Å; W39-F72 AromaticContact NE1-CZ 3.7Å; W39-Y203 HydrophobicContact CB-CD1 3.34Å; W39-Y203 HydrophobicContact CB-CD2 3.59Å; W39-Y203 HydrophobicContact CB-CE1 3.62Å; W39-Y203 HydrophobicContact CB-CE2 3.84Å; W39-Y203 HydrophobicContact CB-CG 3.29Å; W39-Y203 HydrophobicContact CG-CD1 4.47Å; W39-Y203 HydrophobicContact CG-CD2 4Å; W39-Y203 HydrophobicContact CG-CE2 4.42Å; W39-Y203 AromaticContact CG-CG 4Å; W39-Y203 HydrophobicContact CG-CG 4Å; W39-Y203 WeakPolarHBondContact O-CE1 3.39Å | ||
| 40 | T | 87.5 | Confident | 69.7 | Low | 53 Ų | 53 | 76 Ų | 76 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | trans | -120.5 | 148.9 | 172.3 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | G42 Q43 T340 | T40-G42 PolarHBondContact O-N 3.28Å; T40-Q43 WeakPolarHBondContact O-CB 3.28Å; T40-Q43 WeakPolarHBondContact O-CG 3.42Å; T40-Q43 PolarHBondContact O-N 3.16Å; T40-Q43 VanDerWaalsContact O-N 3.17Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.47Å; T40-Q43 PolarHBondContact OG1-NE2 3.5Å; T40-Q43 PolarHBondContact OG1-OE1 3.48Å; T40-T340 HydrophobicContact CG2-CG2 4.34Å; T40-T340 PolarHBondContact OG1-OG1 3.12Å | ||
| 41 | N | 89.7 | Confident | 71.5 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 10% | 0.096 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 125.6 | -175.5 | -76.3 | 4.2 | 0 | 0 | 0 | 112.3 | Y203 W204 D205 H338 C339 T340 | N41-Y203 WeakPolarHBondContact CA-O 3.33Å; N41-W204 HydrophobicContact CB-CD2 4.25Å; N41-W204 HydrophobicContact CB-CE3 3.97Å; N41-W204 HydrophobicContact CB-CZ3 4.15Å; N41-D205 PolarHBondContact ND2-O 3.02Å; N41-D205 PolarHBondContact OD1-N 2.92Å; N41-H338 WeakPolarHBondContact CB-O 3.35Å; N41-H338 PolarHBondContact ND2-O 3.1Å; N41-C339 PolarHBondContact O-SG 2.71Å; N41-T340 PolarHBondContact O-N 3.14Å; N41-T340 VanDerWaalsContact O-N 3.09Å; N41-T340 PolarHBondContact O-OG1 2.98Å |
| 42 | G | 84.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -3.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T40 Y203 T341 | T40-G42 PolarHBondContact O-N 3.28Å; G42-Y203 PolarHBondContact N-O 3.49Å; G42-T341 PolarHBondContact O-OG1 3.44Å |
| 43 | Q | 89.9 | Confident | 74.6 | Confident | 66 Ų | 66 | 66 Ų | 66 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | trans | -72.4 | 131.7 | 173.6 | -74 | 179.4 | -39.6 | 0 | 0 | 111.2 | W39 T40 V45 V202 Y203 | W39-Q43 HydrophobicContact CE3-CB 4.18Å; W39-Q43 HydrophobicContact CZ3-CB 4.48Å; T40-Q43 WeakPolarHBondContact O-CB 3.28Å; T40-Q43 WeakPolarHBondContact O-CG 3.42Å; T40-Q43 PolarHBondContact O-N 3.16Å; T40-Q43 VanDerWaalsContact O-N 3.17Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.47Å; T40-Q43 PolarHBondContact OG1-NE2 3.5Å; T40-Q43 PolarHBondContact OG1-OE1 3.48Å; Q43-V45 PolarHBondContact O-N 3.3Å; Q43-V202 WeakPolarHBondContact O-CA 3.49Å; Q43-V202 WeakPolarHBondContact O-CG1 3.46Å; Q43-Y203 PolarHBondContact O-N 3.16Å | ||
| 44 | C | 90.8 | Very high | 75.7 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 37% | 0.372 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 122.4 | 171.6 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | M320 | C44-M320 HydrophobicContact CB-CE 4.04Å; C44-M320 HydrophobicContact CB-SD 3.92Å |
| 45 | V | 90.6 | Very high | 77.1 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -44.1 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | W39 Q43 L67 E70 F72 L182 L201 | W39-V45 HydrophobicContact CD2-CG2 4.37Å; W39-V45 HydrophobicContact CE3-CG2 4.11Å; W39-V45 HydrophobicContact CH2-CB 4.42Å; W39-V45 HydrophobicContact CH2-CG1 4.18Å; W39-V45 HydrophobicContact CH2-CG2 4.16Å; W39-V45 HydrophobicContact CZ2-CG1 4.19Å; W39-V45 HydrophobicContact CZ2-CG2 4.4Å; W39-V45 HydrophobicContact CZ3-CG2 4Å; Q43-V45 PolarHBondContact O-N 3.3Å; V45-L67 HydrophobicContact CG1-CD2 3.8Å; V45-E70 HydrophobicContact CG1-CB 3.75Å; V45-E70 HydrophobicContact CG1-CG 4.07Å; V45-F72 HydrophobicContact CG1-CD2 3.9Å; V45-F72 HydrophobicContact CG1-CE2 3.6Å; V45-F72 HydrophobicContact CG2-CE2 4.12Å; V45-F72 HydrophobicContact CG2-CZ 4.44Å; V45-L182 HydrophobicContact CB-CD2 4.39Å; V45-L182 HydrophobicContact CG2-CD2 3.91Å; V45-L201 PolarHBondContact N-O 3.09Å |
| 46 | A | 90.4 | Very high | 78.7 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K66 Y200 L201 | A46-K66 HydrophobicContact CB-CB 4.18Å; A46-K66 HydrophobicContact CB-CD 4.47Å; A46-Y200 WeakPolarHBondContact O-CA 3.46Å; A46-L201 HydrophobicContact CB-CB 4.28Å; A46-L201 HydrophobicContact CB-CD1 4.25Å; A46-L201 PolarHBondContact N-O 2.82Å; A46-L201 PolarHBondContact O-N 3.19Å |
| 47 | A | 90.1 | Very high | 80.3 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 24% | 0.24 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | K66 L199 Y200 | A47-K66 PolarHBondContact O-NZ 3.1Å; A47-L199 CarbonylContact C-O 3.57Å; A47-L199 WeakPolarHBondContact CA-O 3.44Å; A47-Y200 HydrophobicContact CB-CD1 3.79Å; A47-Y200 HydrophobicContact CB-CE1 3.7Å |
| 48 | I | 89.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.9 | -176.6 | -53 | -67.2 | 0 | 0 | 0 | 108.7 | F58 L62 C63 K66 Q198 L199 | I48-F58 HydrophobicContact CG2-CD1 4.5Å; I48-F58 WeakPolarHBondContact O-CD1 3.34Å; I48-L62 HydrophobicContact CD1-CD2 4.31Å; I48-L62 HydrophobicContact CD1-CG 4.01Å; I48-C63 HydrophobicContact CD1-CB 4.09Å; I48-C63 HydrophobicContact CG1-CB 3.85Å; I48-K66 HydrophobicContact CD1-CD 3.8Å; I48-K66 HydrophobicContact CD1-CG 4.49Å; I48-Q198 WeakPolarHBondContact O-CA 3.5Å; I48-L199 HydrophobicContact CB-CB 4.3Å; I48-L199 PolarHBondContact N-O 2.69Å; I48-L199 PolarHBondContact O-N 3.27Å |
| 49 | P | 85.9 | Confident | 81.6 | Confident | 61 Ų | 61 | 46.7 Ų | 46.7 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 161.3 | 175 | 32 | -34.4 | 0 | 0 | 0 | 111.4 | Q198 | P49-Q198 HydrophobicContact CB-CG 4.47Å |
| 50 | T | 81.6 | Confident | 81.6 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 15% | 0.153 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 141 | 167.9 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | S52 P56 R57 F58 M97 M197 | T50-S52 PolarHBondContact O-N 3.49Å; T50-P56 HydrophobicContact CG2-CB 4.01Å; T50-R57 CarbonylContact C-O 3.52Å; T50-R57 WeakPolarHBondContact CA-O 3.44Å; T50-F58 HydrophobicContact CG2-CD1 4.12Å; T50-F58 HydrophobicContact CG2-CE1 3.54Å; T50-F58 HydrophobicContact CG2-CE2 4.37Å; T50-F58 HydrophobicContact CG2-CZ 3.7Å; T50-M97 HydrophobicContact CG2-SD 4.42Å; T50-M197 HydrophobicContact CG2-CB 4.02Å; T50-M197 PolarHBondContact N-O 2.97Å |
| 51 | S | 75.4 | Confident | 81.6 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 57% | 0.573 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -72.3 | -23.3 | -175.9 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | R57 | S51-R57 PolarHBondContact N-O 2.74Å; S51-R57 PolarHBondContact OG-O 2.86Å; S51-R57 VanDerWaalsContact OG-O 3.11Å |
| 52 | S | 70.4 | Confident | 81.4 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | trans | -156.4 | 151.7 | -176.3 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | T50 L54 S55 P56 | T50-S52 PolarHBondContact O-N 3.49Å; S52-L54 PolarHBondContact OG-N 2.88Å; S52-S55 PolarHBondContact OG-N 3.03Å; S52-S55 PolarHBondContact OG-OG 3.48Å; S52-P56 WeakPolarHBondContact O-CA 3.48Å | ||
| 53 | A | 64.3 | Low | 81.5 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 52% | 0.521 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -76.7 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 54 | L | 60.3 | Low | 81.4 | Confident | 153 Ų | 153 | 50 Ų | 50 | 80% | 0.801 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -94.4 | -23.6 | -176.6 | -66.8 | 171.4 | 0 | 0 | 0 | 112.8 | S52 | S52-L54 PolarHBondContact OG-N 2.88Š|
| 55 | S | 65.8 | Low | 81.3 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -134 | 65 | 176.7 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | S52 R57 | S52-S55 PolarHBondContact OG-N 3.03Å; S52-S55 PolarHBondContact OG-OG 3.48Å; S55-R57 PolarHBondContact O-N 2.95Å; S55-R57 VanDerWaalsContact O-N 3.14Å |
| 56 | P | 71.4 | Confident | 81.2 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | trans | -61.9 | 119.3 | -176 | 25.1 | -34 | 0 | 0 | 0 | 110.2 | T50 S52 M97 V98 | T50-P56 HydrophobicContact CG2-CB 4.01Å; S52-P56 WeakPolarHBondContact O-CA 3.48Å; P56-M97 HydrophobicContact CB-CB 3.61Å; P56-M97 HydrophobicContact CB-CE 4.33Å; P56-M97 HydrophobicContact CB-CG 4.46Å; P56-M97 HydrophobicContact CB-SD 4.14Å; P56-M97 HydrophobicContact CG-CB 3.27Å; P56-M97 HydrophobicContact CG-CE 4.35Å; P56-M97 HydrophobicContact CG-CG 4.4Å; P56-M97 WeakPolarHBondContact O-CE 3.35Å; P56-V98 HydrophobicContact CG-CG2 3.64Å | ||
| 57 | R | 80.1 | Confident | 81.1 | Confident | 125 Ų | 125 | 52.6 Ų | 52.6 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | trans | -139.5 | 153 | 171.2 | -73.7 | -174.2 | 163.8 | 165.9 | -0.3 | 108.2 | T50 S51 S55 D89 | T50-R57 CarbonylContact C-O 3.52Å; T50-R57 WeakPolarHBondContact CA-O 3.44Å; S51-R57 PolarHBondContact N-O 2.74Å; S51-R57 PolarHBondContact OG-O 2.86Å; S51-R57 VanDerWaalsContact OG-O 3.11Å; S55-R57 PolarHBondContact O-N 2.95Å; S55-R57 VanDerWaalsContact O-N 3.14Å; R57-D89 IonicContact NE-OD1 2.93Å | ||
| 58 | F | 83.6 | Confident | 81 | Confident | 21 Ų | 21 | 55 Ų | 55 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 135 | 171.3 | -62.1 | -75.9 | 0 | 0 | 0 | 109 | I48 T50 L60 L88 M97 V186 M197 L199 | I48-F58 HydrophobicContact CG2-CD1 4.5Å; I48-F58 WeakPolarHBondContact O-CD1 3.34Å; T50-F58 HydrophobicContact CG2-CD1 4.12Å; T50-F58 HydrophobicContact CG2-CE1 3.54Å; T50-F58 HydrophobicContact CG2-CE2 4.37Å; T50-F58 HydrophobicContact CG2-CZ 3.7Å; F58-L60 HydrophobicContact CB-CD2 4.02Å; F58-L60 PolarHBondContact O-N 3.05Å; F58-L88 HydrophobicContact CD2-CD1 3.57Å; F58-L88 HydrophobicContact CE2-CD1 3.82Å; F58-M97 HydrophobicContact CE2-SD 3.85Å; F58-M97 HydrophobicContact CZ-SD 4.28Å; F58-V186 HydrophobicContact CZ-CG1 4.22Å; F58-M197 HydrophobicContact CZ-CB 4.19Å; F58-L199 HydrophobicContact CD1-CB 3.65Å; F58-L199 HydrophobicContact CE1-CB 3.77Å; F58-L199 HydrophobicContact CG-CB 4.08Å; F58-L199 HydrophobicContact CZ-CB 4.28Å |
| 59 | D | 84.9 | Confident | 80.9 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | trans | -78.9 | 103.2 | 173.6 | -173.1 | -18.2 | 0 | 0 | 0 | 108.9 | D61 L62 C63 | D59-D61 PolarHBondContact OD1-N 3.02Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D59-L62 HydrophobicContact CB-CB 3.82Å; D59-L62 VanDerWaalsContact CG-CB 3.45Å; D59-L62 PolarHBondContact OD1-N 3.11Å; D59-C63 PolarHBondContact O-N 3.49Å | ||
| 60 | L | 87.1 | Confident | 80.8 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -79.6 | -22.2 | -177 | -55 | -165.8 | 0 | 0 | 0 | 112.5 | F58 C63 R64 E81 L84 K85 | F58-L60 HydrophobicContact CB-CD2 4.02Å; F58-L60 PolarHBondContact O-N 3.05Å; L60-C63 VanDerWaalsContact O-CB 3.32Å; L60-C63 WeakPolarHBondContact O-CB 3.46Å; L60-C63 PolarHBondContact O-N 3.5Å; L60-R64 PolarHBondContact O-N 3.23Å; L60-E81 HydrophobicContact CB-CG 4.06Å; L60-E81 HydrophobicContact CD1-CB 4.13Å; L60-E81 HydrophobicContact CD1-CG 4.21Å; L60-L84 HydrophobicContact CD1-CB 4.29Å; L60-L84 HydrophobicContact CD1-CD2 4.13Å; L60-L84 HydrophobicContact CD1-CG 4.38Å; L60-L84 HydrophobicContact CD2-CD2 3.38Å; L60-L84 HydrophobicContact CD2-CG 4.15Å; L60-L84 HydrophobicContact CG-CD2 4.41Å; L60-K85 HydrophobicContact CD1-CD 4.36Å; L60-K85 HydrophobicContact CD1-CG 3.63Å |
| 61 | D | 85.9 | Confident | 80.9 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 58% | 0.578 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.1 | -41 | 173.9 | -61.1 | -42.6 | 0 | 0 | 0 | 109.5 | D59 C63 R64 S65 | D59-D61 PolarHBondContact OD1-N 3.02Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.06Å; D61-R64 PolarHBondContact O-N 3.16Å; D61-S65 PolarHBondContact O-N 3.14Å; D61-S65 PolarHBondContact O-OG 3.34Å; D61-S65 VanDerWaalsContact O-OG 3.05Å |
| 62 | L | 86.9 | Confident | 81.3 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 168.7 | -176.2 | 63.7 | 0 | 0 | 0 | 111.8 | I48 D59 S65 K66 | I48-L62 HydrophobicContact CD1-CD2 4.31Å; I48-L62 HydrophobicContact CD1-CG 4.01Å; D59-L62 HydrophobicContact CB-CB 3.82Å; D59-L62 VanDerWaalsContact CG-CB 3.45Å; D59-L62 PolarHBondContact OD1-N 3.11Å; L62-S65 WeakPolarHBondContact CA-OG 3.3Å; L62-S65 PolarHBondContact O-OG 2.96Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.46Å; L62-K66 VanDerWaalsContact O-N 3.14Å |
| 63 | C | 87.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 175 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | I48 D59 L60 D61 K66 L67 L201 | I48-C63 HydrophobicContact CD1-CB 4.09Å; I48-C63 HydrophobicContact CG1-CB 3.85Å; D59-C63 PolarHBondContact O-N 3.49Å; L60-C63 VanDerWaalsContact O-CB 3.32Å; L60-C63 WeakPolarHBondContact O-CB 3.46Å; L60-C63 PolarHBondContact O-N 3.5Å; D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.06Å; C63-K66 PolarHBondContact O-N 2.97Å; C63-L67 WeakPolarHBondContact O-CG 3.5Å; C63-L67 PolarHBondContact O-N 2.96Å; C63-L201 VanDerWaalsContact SG-CD1 3.54Å |
| 64 | R | 87.7 | Confident | 82 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 177.6 | 172.3 | 177.8 | -73.5 | 131.8 | 14.2 | 111.5 | L60 D61 K66 L67 E68 E81 | L60-R64 PolarHBondContact O-N 3.23Å; D61-R64 PolarHBondContact O-N 3.16Å; R64-K66 VanDerWaalsContact C-N 3.27Å; R64-K66 PolarHBondContact O-N 3.36Å; R64-L67 WeakPolarHBondContact O-CA 3.39Å; R64-L67 WeakPolarHBondContact O-CB 3.49Å; R64-L67 PolarHBondContact O-N 2.71Å; R64-E68 VanDerWaalsContact CD-OE1 3.22Å; R64-E68 WeakPolarHBondContact CD-OE1 3.32Å; R64-E68 HydrophobicContact CG-CG 4.15Å; R64-E68 WeakPolarHBondContact CG-OE1 3.41Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 2.7Å; R64-E81 IonicContact CZ-OE1 4Å; R64-E81 IonicContact NH1-OE1 2.85Å; R64-E81 PolarHBondContact NH1-OE1 3.04Å; R64-E81 IonicContact NH2-OE1 3.09Å; R64-E81 PolarHBondContact NH2-OE1 3.38Å |
| 65 | S | 87.6 | Confident | 83 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -36.6 | -177 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | D61 L62 Q69 | D61-S65 PolarHBondContact O-N 3.14Å; D61-S65 PolarHBondContact O-OG 3.34Å; D61-S65 VanDerWaalsContact O-OG 3.05Å; L62-S65 WeakPolarHBondContact CA-OG 3.3Å; L62-S65 PolarHBondContact O-OG 2.96Å; S65-Q69 WeakPolarHBondContact O-CB 3.48Å; S65-Q69 PolarHBondContact O-N 3.08Å |
| 66 | K | 88.3 | Confident | 83.8 | Confident | 70 Ų | 70 | 65.5 Ų | 65.5 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 171.3 | -74 | -165.8 | -169.2 | -178.4 | 0 | 112.8 | A46 A47 I48 L62 C63 R64 Q69 E70 | A46-K66 HydrophobicContact CB-CB 4.18Å; A46-K66 HydrophobicContact CB-CD 4.47Å; A47-K66 PolarHBondContact O-NZ 3.1Å; I48-K66 HydrophobicContact CD1-CD 3.8Å; I48-K66 HydrophobicContact CD1-CG 4.49Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.46Å; L62-K66 VanDerWaalsContact O-N 3.14Å; C63-K66 PolarHBondContact O-N 2.97Å; R64-K66 VanDerWaalsContact C-N 3.27Å; R64-K66 PolarHBondContact O-N 3.36Å; K66-Q69 PolarHBondContact O-N 3.4Å; K66-E70 WeakPolarHBondContact O-CB 3.44Å; K66-E70 VanDerWaalsContact O-CG 3.3Å; K66-E70 WeakPolarHBondContact O-CG 3.41Å; K66-E70 PolarHBondContact O-N 2.88Å; K66-E70 VanDerWaalsContact O-N 3.14Å |
| 67 | L | 88.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 177.3 | -74.3 | 174.5 | 0 | 0 | 0 | 112.3 | V45 C63 R64 E70 G71 F72 I75 L80 L182 L201 | V45-L67 HydrophobicContact CG1-CD2 3.8Å; C63-L67 WeakPolarHBondContact O-CG 3.5Å; C63-L67 PolarHBondContact O-N 2.96Å; R64-L67 WeakPolarHBondContact O-CA 3.39Å; R64-L67 WeakPolarHBondContact O-CB 3.49Å; R64-L67 PolarHBondContact O-N 2.71Å; L67-E70 CarbonylContact O-C 3.6Å; L67-E70 WeakPolarHBondContact O-CA 3.48Å; L67-E70 PolarHBondContact O-N 2.98Å; L67-E70 VanDerWaalsContact O-N 3.11Å; L67-G71 PolarHBondContact O-N 3.16Å; L67-F72 HydrophobicContact CB-CB 4.15Å; L67-F72 HydrophobicContact CD2-CD2 4.36Å; L67-F72 WeakPolarHBondContact O-CB 3.38Å; L67-F72 PolarHBondContact O-N 2.89Å; L67-I75 HydrophobicContact CD1-CD1 4.24Å; L67-L80 HydrophobicContact CD1-CD2 3.53Å; L67-L182 HydrophobicContact CD2-CD1 4.04Å; L67-L201 HydrophobicContact CD1-CD2 3.66Å; L67-L201 HydrophobicContact CD2-CD2 3.88Å; L67-L201 HydrophobicContact CG-CD2 4.11Å |
| 68 | E | 88.5 | Confident | 84.3 | Confident | 81 Ų | 81 | 71.2 Ų | 71.2 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 175.5 | -73.1 | 170.8 | 178.2 | 0 | 0 | 111 | R64 E70 G71 E73 | R64-E68 VanDerWaalsContact CD-OE1 3.22Å; R64-E68 WeakPolarHBondContact CD-OE1 3.32Å; R64-E68 HydrophobicContact CG-CG 4.15Å; R64-E68 WeakPolarHBondContact CG-OE1 3.41Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 2.7Å; E68-E70 PolarHBondContact O-N 2.89Å; E68-E70 VanDerWaalsContact O-N 3.16Å; E68-G71 PolarHBondContact O-N 3.29Å; E68-E73 HydrophobicContact CB-CG 4.32Å; E68-E73 HydrophobicContact CG-CG 4.46Å |
| 69 | Q | 86.7 | Confident | 84.2 | Confident | 155 Ų | 155 | 71.7 Ų | 71.7 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.8 | -32.4 | 174.3 | -175.1 | 178.3 | 9.1 | 0 | 0 | 112.5 | S65 K66 G71 | S65-Q69 WeakPolarHBondContact O-CB 3.48Å; S65-Q69 PolarHBondContact O-N 3.08Å; K66-Q69 PolarHBondContact O-N 3.4Å; Q69-G71 VanDerWaalsContact C-N 3.3Å; Q69-G71 PolarHBondContact O-N 3.14Å |
| 70 | E | 85.2 | Confident | 84.1 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9.6 | 179.7 | -70.2 | -57.2 | 164.1 | 0 | 0 | 114.1 | R38 W39 V45 K66 L67 E68 F72 | R38-E70 IonicContact CZ-OE2 3Å; R38-E70 IonicContact NH1-OE2 3.1Å; R38-E70 VanDerWaalsContact NH2-CA 3.31Å; R38-E70 PolarHBondContact NH2-O 3.06Å; R38-E70 IonicContact NH2-OE2 3.9Å; R38-E70 PolarHBondContact NH2-OE2 3.18Å; W39-E70 HydrophobicContact CH2-CB 4.36Å; W39-E70 HydrophobicContact CH2-CG 4.31Å; W39-E70 VanDerWaalsContact CH2-OE2 3.3Å; W39-E70 WeakPolarHBondContact CH2-OE2 3.4Å; W39-E70 HydrophobicContact CZ2-CB 3.86Å; W39-E70 HydrophobicContact CZ2-CG 4.28Å; W39-E70 VanDerWaalsContact CZ2-OE2 3.25Å; W39-E70 WeakPolarHBondContact CZ2-OE2 3.42Å; V45-E70 HydrophobicContact CG1-CB 3.75Å; V45-E70 HydrophobicContact CG1-CG 4.07Å; K66-E70 WeakPolarHBondContact O-CB 3.44Å; K66-E70 VanDerWaalsContact O-CG 3.3Å; K66-E70 WeakPolarHBondContact O-CG 3.41Å; K66-E70 PolarHBondContact O-N 2.88Å; K66-E70 VanDerWaalsContact O-N 3.14Å; L67-E70 CarbonylContact O-C 3.6Å; L67-E70 WeakPolarHBondContact O-CA 3.48Å; L67-E70 PolarHBondContact O-N 2.98Å; L67-E70 VanDerWaalsContact O-N 3.11Å; E68-E70 PolarHBondContact O-N 2.89Å; E68-E70 VanDerWaalsContact O-N 3.16Å; E70-F72 HydrophobicContact CB-CD2 4.22Å |
| 71 | G | 82.6 | Confident | 84 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 15.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L67 E68 Q69 | L67-G71 PolarHBondContact O-N 3.16Å; E68-G71 PolarHBondContact O-N 3.29Å; Q69-G71 VanDerWaalsContact C-N 3.3Å; Q69-G71 PolarHBondContact O-N 3.14Å |
| 72 | F | 85 | Confident | 84 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 13% | 0.127 | 33% | 0.33 | C | S | . | . | trans | -103 | 50.1 | 176.7 | -64.8 | -88.5 | 0 | 0 | 0 | 112.1 | W39 V45 L67 E70 Q74 I75 L182 Y203 | W39-F72 AromaticContact CD1-CZ 3.86Å; W39-F72 AromaticContact CE2-CE2 3.82Å; W39-F72 HydrophobicContact CG-CZ 4.5Å; W39-F72 HydrophobicContact CZ2-CE2 4.12Å; W39-F72 AromaticContact NE1-CE2 3.46Å; W39-F72 AromaticContact NE1-CZ 3.7Å; V45-F72 HydrophobicContact CG1-CD2 3.9Å; V45-F72 HydrophobicContact CG1-CE2 3.6Å; V45-F72 HydrophobicContact CG2-CE2 4.12Å; V45-F72 HydrophobicContact CG2-CZ 4.44Å; L67-F72 HydrophobicContact CB-CB 4.15Å; L67-F72 HydrophobicContact CD2-CD2 4.36Å; L67-F72 WeakPolarHBondContact O-CB 3.38Å; L67-F72 PolarHBondContact O-N 2.89Å; E70-F72 HydrophobicContact CB-CD2 4.22Å; F72-Q74 VanDerWaalsContact C-N 3.29Å; F72-Q74 PolarHBondContact O-N 2.82Å; F72-I75 HydrophobicContact CB-CD1 3.74Å; F72-I75 HydrophobicContact CB-CG1 4.32Å; F72-I75 HydrophobicContact CD1-CD1 4.24Å; F72-I75 HydrophobicContact CG-CD1 4.34Å; F72-L182 HydrophobicContact CD1-CD1 3.94Å; F72-L182 HydrophobicContact CD1-CG 4.33Å; F72-L182 HydrophobicContact CE1-CD1 4.14Å; F72-L182 HydrophobicContact CE1-CD2 4.02Å; F72-L182 HydrophobicContact CE1-CG 4.02Å; F72-L182 HydrophobicContact CE2-CD2 4.36Å; F72-L182 HydrophobicContact CG-CD1 4.31Å; F72-L182 HydrophobicContact CZ-CD2 3.91Å; F72-L182 HydrophobicContact CZ-CG 4.43Å; F72-Y203 HydrophobicContact CE1-CD2 4.46Å; F72-Y203 HydrophobicContact CZ-CD2 4Å | ||
| 73 | E | 73.6 | Confident | 83.8 | Confident | 150 Ų | 150 | 62.4 Ų | 62.4 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19 | -173 | -61.5 | 178.9 | 163.4 | 0 | 0 | 114.7 | E68 | E68-E73 HydrophobicContact CB-CG 4.32Å; E68-E73 HydrophobicContact CG-CG 4.46Å |
| 74 | Q | 74.5 | Confident | 83.7 | Confident | 180 Ų | 180 | 62.4 Ų | 62.4 | 84% | 0.841 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.3 | -171.7 | -63.6 | -177.3 | 15.6 | 0 | 0 | 114.5 | F72 P76 | F72-Q74 VanDerWaalsContact C-N 3.29Å; F72-Q74 PolarHBondContact O-N 2.82Å; Q74-P76 WeakPolarHBondContact O-CD 3.44Å |
| 75 | I | 82.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.087 | 32% | 0.323 | C | S | . | . | trans | -78.3 | 114.5 | -176.2 | -59.6 | 177.6 | 0 | 0 | 0 | 110.2 | L67 F72 L80 M177 H180 L182 | L67-I75 HydrophobicContact CD1-CD1 4.24Å; F72-I75 HydrophobicContact CB-CD1 3.74Å; F72-I75 HydrophobicContact CB-CG1 4.32Å; F72-I75 HydrophobicContact CD1-CD1 4.24Å; F72-I75 HydrophobicContact CG-CD1 4.34Å; I75-L80 HydrophobicContact CG2-CB 3.85Å; I75-L80 HydrophobicContact CG2-CD2 4.49Å; I75-M177 HydrophobicContact CG2-CE 3.54Å; I75-M177 HydrophobicContact CG2-SD 4.45Å; I75-H180 HydrophobicContact CD1-CB 4.15Å; I75-H180 HydrophobicContact CG1-CB 4.18Å; I75-L182 HydrophobicContact CD1-CD1 3.45Å; I75-L182 VanDerWaalsContact CD1-CD1 3.45Å | ||
| 76 | P | 82.8 | Confident | 83.5 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | trans | -66.4 | 147.5 | -179.4 | -19.3 | 33.4 | 0 | 0 | 0 | 112.3 | Q74 R78 D79 L80 | Q74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-R78 PolarHBondContact O-N 3.34Å; P76-R78 VanDerWaalsContact O-N 3.14Å; P76-D79 PolarHBondContact O-N 2.84Å; P76-L80 PolarHBondContact O-N 3.31Å | ||
| 77 | V | 80.5 | Confident | 83.3 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -51 | -39.1 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | D79 L80 E81 D82 | V77-D79 VanDerWaalsContact C-N 3.25Å; V77-D79 PolarHBondContact O-N 2.79Å; V77-L80 PolarHBondContact O-N 2.94Å; V77-E81 HydrophobicContact CG1-CB 3.85Å; V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 PolarHBondContact O-N 3.48Å; V77-D82 PolarHBondContact O-N 2.62Å |
| 78 | R | 80.2 | Confident | 83 | Confident | 185 Ų | 185 | 63 Ų | 63 | 70% | 0.698 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.8 | -26 | 179.1 | -72.5 | -89.4 | 148.4 | 142.2 | -1.6 | 114.3 | P76 D82 P83 R176 | P76-R78 PolarHBondContact O-N 3.34Å; P76-R78 VanDerWaalsContact O-N 3.14Å; R78-D82 WeakPolarHBondContact CA-OD2 3.36Å; R78-D82 VanDerWaalsContact CD-OD2 3.3Å; R78-D82 WeakPolarHBondContact CD-OD2 3.46Å; R78-D82 IonicContact CZ-OD2 3.95Å; R78-D82 IonicContact NE-OD2 2.7Å; R78-D82 PolarHBondContact NE-OD2 3.04Å; R78-P83 WeakPolarHBondContact O-CD 3.26Å; R78-R176 PolarHBondContact O-NH1 3.19Å |
| 79 | D | 81.6 | Confident | 82.6 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 17% | 0.166 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -95.3 | -27.4 | -177.7 | -74.3 | -14.1 | 0 | 0 | 0 | 112.3 | P76 V77 P83 R176 M177 H180 | P76-D79 PolarHBondContact O-N 2.84Å; V77-D79 VanDerWaalsContact C-N 3.25Å; V77-D79 PolarHBondContact O-N 2.79Å; D79-P83 VanDerWaalsContact O-CG 3.22Å; D79-P83 WeakPolarHBondContact O-CG 3.03Å; D79-R176 HydrophobicContact CB-CB 4.41Å; D79-M177 HydrophobicContact CB-CE 3.7Å; D79-M177 VanDerWaalsContact O-CE 3.25Å; D79-M177 WeakPolarHBondContact O-CE 3.47Å; D79-H180 IonicContact OD2-NE2 2.84Å; D79-H180 PolarHBondContact OD2-NE2 3.12Å; D79-H180 VanDerWaalsContact OD2-NE2 3.1Å |
| 80 | L | 83.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -109.7 | -62.3 | -176.9 | 177 | 65.7 | 0 | 0 | 0 | 113 | L67 I75 P76 V77 L84 M177 L201 | L67-L80 HydrophobicContact CD1-CD2 3.53Å; I75-L80 HydrophobicContact CG2-CB 3.85Å; I75-L80 HydrophobicContact CG2-CD2 4.49Å; P76-L80 PolarHBondContact O-N 3.31Å; V77-L80 PolarHBondContact O-N 2.94Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 3.18Å; L80-M177 HydrophobicContact CB-CE 4.06Å; L80-M177 HydrophobicContact CB-SD 3.93Å; L80-M177 HydrophobicContact CD1-SD 3.47Å; L80-M177 WeakPolarHBondContact CD1-SD 3.31Å; L80-M177 HydrophobicContact CG-SD 4.27Å; L80-L201 HydrophobicContact CD1-CD2 4.17Å |
| 81 | E | 85.9 | Confident | 81.6 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.2 | -53.5 | -170.1 | -70.2 | -171.6 | -124.6 | 0 | 0 | 113.2 | L60 R64 V77 L84 K85 | L60-E81 HydrophobicContact CB-CG 4.06Å; L60-E81 HydrophobicContact CD1-CB 4.13Å; L60-E81 HydrophobicContact CD1-CG 4.21Å; R64-E81 IonicContact CZ-OE1 4Å; R64-E81 IonicContact NH1-OE1 2.85Å; R64-E81 PolarHBondContact NH1-OE1 3.04Å; R64-E81 IonicContact NH2-OE1 3.09Å; R64-E81 PolarHBondContact NH2-OE1 3.38Å; V77-E81 HydrophobicContact CG1-CB 3.85Å; V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 PolarHBondContact O-N 3.48Å; E81-L84 PolarHBondContact O-N 3.17Å; E81-L84 VanDerWaalsContact O-N 3.12Å; E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 WeakPolarHBondContact O-CG 3.49Å; E81-K85 PolarHBondContact O-N 2.85Å; E81-K85 IonicContact OE2-NZ 3.63Å; E81-K85 PolarHBondContact OE2-NZ 2.81Å |
| 82 | D | 85.4 | Confident | 80.9 | Confident | 50 Ų | 50 | 57 Ų | 57 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -53.5 | -49.8 | -177 | -68.6 | -15.9 | 0 | 0 | 0 | 112.2 | V77 R78 L84 T86 | V77-D82 PolarHBondContact O-N 2.62Å; R78-D82 WeakPolarHBondContact CA-OD2 3.36Å; R78-D82 VanDerWaalsContact CD-OD2 3.3Å; R78-D82 WeakPolarHBondContact CD-OD2 3.46Å; R78-D82 IonicContact CZ-OD2 3.95Å; R78-D82 IonicContact NE-OD2 2.7Å; R78-D82 PolarHBondContact NE-OD2 3.04Å; D82-L84 VanDerWaalsContact C-N 3.35Å; D82-T86 WeakPolarHBondContact O-CB 3.09Å; D82-T86 PolarHBondContact O-N 3.34Å; D82-T86 PolarHBondContact O-OG1 3.45Å |
| 83 | P | 83.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.9 | -31.2 | 179.1 | 30 | -36.7 | 0 | 0 | 0 | 112.2 | R78 D79 T86 A87 V173 | R78-P83 WeakPolarHBondContact O-CD 3.26Å; D79-P83 VanDerWaalsContact O-CG 3.22Å; D79-P83 WeakPolarHBondContact O-CG 3.03Å; P83-T86 PolarHBondContact O-N 2.75Å; P83-A87 VanDerWaalsContact O-CB 3.28Å; P83-A87 WeakPolarHBondContact O-CB 3.47Å; P83-A87 PolarHBondContact O-N 3.05Å; P83-V173 HydrophobicContact CB-CG2 4.09Å |
| 84 | L | 85.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.1 | -39.9 | 179.6 | -169.9 | 64.2 | 0 | 0 | 0 | 112.3 | L60 L80 E81 D82 A87 L88 L170 V173 V184 L199 | L60-L84 HydrophobicContact CD1-CB 4.29Å; L60-L84 HydrophobicContact CD1-CD2 4.13Å; L60-L84 HydrophobicContact CD1-CG 4.38Å; L60-L84 HydrophobicContact CD2-CD2 3.38Å; L60-L84 HydrophobicContact CD2-CG 4.15Å; L60-L84 HydrophobicContact CG-CD2 4.41Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 3.18Å; E81-L84 PolarHBondContact O-N 3.17Å; E81-L84 VanDerWaalsContact O-N 3.12Å; D82-L84 VanDerWaalsContact C-N 3.35Å; L84-A87 PolarHBondContact O-N 3.19Å; L84-L88 HydrophobicContact CD1-CD1 3.42Å; L84-L88 VanDerWaalsContact CD1-CD1 3.42Å; L84-L88 HydrophobicContact CD1-CG 4.01Å; L84-L88 HydrophobicContact CG-CD1 3.83Å; L84-L88 HydrophobicContact CG-CG 4.49Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.4Å; L84-L170 HydrophobicContact CD1-CD2 4.04Å; L84-V173 HydrophobicContact CD1-CG1 4.39Å; L84-V184 HydrophobicContact CD1-CG1 4.26Å; L84-L199 HydrophobicContact CD1-CD1 4.06Å; L84-L199 HydrophobicContact CD1-CD2 4.49Å; L84-L199 HydrophobicContact CD2-CD2 3.58Å |
| 85 | K | 85.8 | Confident | 80.4 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.7 | -50.1 | 168.2 | -72.9 | 175.8 | -178.6 | 158.7 | 0 | 109.7 | L60 E81 A87 L88 D89 | L60-K85 HydrophobicContact CD1-CD 4.36Å; L60-K85 HydrophobicContact CD1-CG 3.63Å; E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 WeakPolarHBondContact O-CG 3.49Å; E81-K85 PolarHBondContact O-N 2.85Å; E81-K85 IonicContact OE2-NZ 3.63Å; E81-K85 PolarHBondContact OE2-NZ 2.81Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 3.31Å; K85-L88 PolarHBondContact O-N 3.3Å; K85-D89 VanDerWaalsContact O-CB 3.26Å; K85-D89 WeakPolarHBondContact O-CB 3.28Å; K85-D89 PolarHBondContact O-N 2.89Å |
| 86 | T | 84.7 | Confident | 80 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 56% | 0.558 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60 | -38.5 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | D82 P83 V90 | D82-T86 WeakPolarHBondContact O-CB 3.09Å; D82-T86 PolarHBondContact O-N 3.34Å; D82-T86 PolarHBondContact O-OG1 3.45Å; P83-T86 PolarHBondContact O-N 2.75Å; T86-V90 WeakPolarHBondContact O-CG2 3.29Å |
| 87 | A | 83 | Confident | 79.5 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.1 | -41.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P83 L84 K85 R169 V173 | P83-A87 VanDerWaalsContact O-CB 3.28Å; P83-A87 WeakPolarHBondContact O-CB 3.47Å; P83-A87 PolarHBondContact O-N 3.05Å; L84-A87 PolarHBondContact O-N 3.19Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 3.31Å; A87-R169 HydrophobicContact CB-CB 3.99Å; A87-V173 HydrophobicContact CB-CG2 3.93Å |
| 88 | L | 82.4 | Confident | 79 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -104 | -25.3 | -166.6 | -59.6 | -178.8 | 0 | 0 | 0 | 115.2 | F58 L84 K85 V90 V93 I166 L170 V186 L199 | F58-L88 HydrophobicContact CD2-CD1 3.57Å; F58-L88 HydrophobicContact CE2-CD1 3.82Å; L84-L88 HydrophobicContact CD1-CD1 3.42Å; L84-L88 VanDerWaalsContact CD1-CD1 3.42Å; L84-L88 HydrophobicContact CD1-CG 4.01Å; L84-L88 HydrophobicContact CG-CD1 3.83Å; L84-L88 HydrophobicContact CG-CG 4.49Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.4Å; K85-L88 PolarHBondContact O-N 3.3Å; L88-V90 PolarHBondContact O-N 3.43Å; L88-V93 HydrophobicContact CD2-CG1 4.47Å; L88-I166 HydrophobicContact CD2-CG2 4.1Å; L88-L170 HydrophobicContact CD2-CD2 4.49Å; L88-V186 HydrophobicContact CD1-CG2 4.49Å; L88-V186 HydrophobicContact CD2-CG2 4.19Å; L88-L199 HydrophobicContact CD1-CD1 4.31Å |
| 89 | D | 80.7 | Confident | 78.3 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | trans | -77.4 | 3 | -179.6 | -82.5 | -46 | 0 | 0 | 0 | 114 | R57 K85 | R57-D89 IonicContact NE-OD1 2.93Å; K85-D89 VanDerWaalsContact O-CB 3.26Å; K85-D89 WeakPolarHBondContact O-CB 3.28Å; K85-D89 PolarHBondContact O-N 2.89Å | ||
| 90 | V | 78.9 | Confident | 77.6 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | trans | -63.7 | 132.5 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | T86 L88 S92 V93 R94 | T86-V90 WeakPolarHBondContact O-CG2 3.29Å; L88-V90 PolarHBondContact O-N 3.43Å; V90-S92 WeakPolarHBondContact CG1-OG 3.48Å; V90-S92 PolarHBondContact O-N 2.86Å; V90-V93 HydrophobicContact CB-CG2 4.22Å; V90-V93 WeakPolarHBondContact O-CA 3.43Å; V90-V93 WeakPolarHBondContact O-CB 3.45Å; V90-V93 PolarHBondContact O-N 2.83Å; V90-R94 PolarHBondContact O-N 3.07Å | ||
| 91 | P | 70.8 | Confident | 76.8 | Confident | 78 Ų | 78 | 44 Ų | 44 | 51% | 0.506 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.2 | -33.8 | -175.6 | -29.4 | 34.4 | 0 | 0 | 0 | 114.7 | R95 | P91-R95 WeakPolarHBondContact O-CB 3.43Å; P91-R95 VanDerWaalsContact O-CG 3.26Å; P91-R95 WeakPolarHBondContact O-CG 3.46Å; P91-R95 PolarHBondContact O-N 2.79Å |
| 92 | S | 69.5 | Low | 75.7 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 176.4 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | V90 Y96 | V90-S92 WeakPolarHBondContact CG1-OG 3.48Å; V90-S92 PolarHBondContact O-N 2.86Å; S92-Y96 WeakPolarHBondContact O-CB 3.47Å; S92-Y96 PolarHBondContact O-N 3.31Å |
| 93 | V | 73.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.4 | -44.8 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | L88 V90 R95 Y96 M97 I166 | L88-V93 HydrophobicContact CD2-CG1 4.47Å; V90-V93 HydrophobicContact CB-CG2 4.22Å; V90-V93 WeakPolarHBondContact O-CA 3.43Å; V90-V93 WeakPolarHBondContact O-CB 3.45Å; V90-V93 PolarHBondContact O-N 2.83Å; V93-R95 PolarHBondContact O-N 2.99Å; V93-Y96 WeakPolarHBondContact O-CB 3.22Å; V93-Y96 PolarHBondContact O-N 3.2Å; V93-Y96 VanDerWaalsContact O-N 3.17Å; V93-M97 HydrophobicContact CG1-CE 4.11Å; V93-M97 HydrophobicContact CG1-CG 4.48Å; V93-M97 VanDerWaalsContact O-CG 3.31Å; V93-M97 WeakPolarHBondContact O-CG 3.47Å; V93-M97 PolarHBondContact O-N 3.22Å; V93-I166 HydrophobicContact CB-CG1 4.43Å; V93-I166 HydrophobicContact CG1-CD1 3.76Å; V93-I166 HydrophobicContact CG1-CG1 3.83Å; V93-I166 HydrophobicContact CG2-CD1 4.42Å; V93-I166 HydrophobicContact CG2-CG1 3.8Å |
| 94 | R | 75.9 | Confident | 73.8 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 175 | -71.9 | -178.4 | 59.8 | -154.9 | -4.3 | 113 | V90 Y96 M97 V98 | V90-R94 PolarHBondContact O-N 3.07Å; R94-Y96 VanDerWaalsContact C-N 3.34Å; R94-Y96 PolarHBondContact O-N 3.21Å; R94-M97 HydrophobicContact CB-CE 4.41Å; R94-M97 HydrophobicContact CG-CE 3.97Å; R94-M97 PolarHBondContact O-N 2.63Å; R94-V98 WeakPolarHBondContact O-CG2 2.93Å; R94-V98 PolarHBondContact O-N 3.4Å |
| 95 | R | 73.3 | Confident | 73.1 | Confident | 167 Ų | 167 | 52.4 Ų | 52.4 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60 | -44.9 | 174.6 | -75.1 | 175.5 | -163.3 | 169.1 | 3.9 | 111.2 | P91 V93 M97 V98 F99 | P91-R95 WeakPolarHBondContact O-CB 3.43Å; P91-R95 VanDerWaalsContact O-CG 3.26Å; P91-R95 WeakPolarHBondContact O-CG 3.46Å; P91-R95 PolarHBondContact O-N 2.79Å; V93-R95 PolarHBondContact O-N 2.99Å; R95-M97 PolarHBondContact O-N 2.95Å; R95-V98 PolarHBondContact O-N 3.34Å; R95-F99 HydrophobicContact CB-CD2 4.09Å; R95-F99 HydrophobicContact CB-CE2 3.9Å; R95-F99 HydrophobicContact CG-CE2 4.47Å; R95-F99 WeakPolarHBondContact O-CD2 3.43Å; R95-F99 WeakPolarHBondContact O-CG 3.34Å; R95-F99 PolarHBondContact O-N 3.1Å |
| 96 | Y | 72.1 | Confident | 72.4 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 176.1 | 168.8 | -111.7 | 0 | 0 | 0 | 112.9 | S92 V93 R94 V98 F99 N100 N159 I162 I166 M197 | S92-Y96 WeakPolarHBondContact O-CB 3.47Å; S92-Y96 PolarHBondContact O-N 3.31Å; V93-Y96 WeakPolarHBondContact O-CB 3.22Å; V93-Y96 PolarHBondContact O-N 3.2Å; V93-Y96 VanDerWaalsContact O-N 3.17Å; R94-Y96 VanDerWaalsContact C-N 3.34Å; R94-Y96 PolarHBondContact O-N 3.21Å; Y96-V98 PolarHBondContact O-N 2.96Å; Y96-F99 PolarHBondContact O-N 3.45Å; Y96-F99 VanDerWaalsContact O-N 3.16Å; Y96-N100 HydrophobicContact CD2-CB 4.25Å; Y96-N100 HydrophobicContact CE2-CB 3.82Å; Y96-N100 VanDerWaalsContact O-CB 3.23Å; Y96-N100 WeakPolarHBondContact O-CB 3.48Å; Y96-N100 PolarHBondContact O-N 2.92Å; Y96-N100 PolarHBondContact OH-ND2 3Å; Y96-N159 HydrophobicContact CD2-CB 4.1Å; Y96-N159 WeakPolarHBondContact CD2-OD1 3.04Å; Y96-N159 VanDerWaalsContact CE2-CA 3.5Å; Y96-N159 HydrophobicContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CG 3.46Å; Y96-I162 HydrophobicContact CD1-CB 4.39Å; Y96-I162 HydrophobicContact CD1-CG2 3.7Å; Y96-I162 HydrophobicContact CD2-CB 4.11Å; Y96-I162 HydrophobicContact CD2-CD1 4.24Å; Y96-I162 HydrophobicContact CD2-CG2 4.18Å; Y96-I162 HydrophobicContact CE1-CG2 4.45Å; Y96-I162 HydrophobicContact CG-CB 3.96Å; Y96-I162 HydrophobicContact CG-CD1 4.28Å; Y96-I162 HydrophobicContact CG-CG2 3.51Å; Y96-I166 HydrophobicContact CD1-CD1 3.65Å; Y96-I166 HydrophobicContact CE1-CD1 3.75Å; Y96-M197 HydrophobicContact CD1-CE 3.62Å; Y96-M197 HydrophobicContact CE1-CE 3.17Å; Y96-M197 HydrophobicContact CE1-SD 4.2Å; Y96-M197 HydrophobicContact CE2-CE 4.44Å; Y96-M197 HydrophobicContact CG-CE 4.48Å |
| 97 | M | 73.3 | Confident | 72 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.069 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 176.8 | -66.4 | -169 | -78.2 | 0 | 0 | 112.5 | T50 P56 F58 V93 R94 R95 M197 | T50-M97 HydrophobicContact CG2-SD 4.42Å; P56-M97 HydrophobicContact CB-CB 3.61Å; P56-M97 HydrophobicContact CB-CE 4.33Å; P56-M97 HydrophobicContact CB-CG 4.46Å; P56-M97 HydrophobicContact CB-SD 4.14Å; P56-M97 HydrophobicContact CG-CB 3.27Å; P56-M97 HydrophobicContact CG-CE 4.35Å; P56-M97 HydrophobicContact CG-CG 4.4Å; P56-M97 WeakPolarHBondContact O-CE 3.35Å; F58-M97 HydrophobicContact CE2-SD 3.85Å; F58-M97 HydrophobicContact CZ-SD 4.28Å; V93-M97 HydrophobicContact CG1-CE 4.11Å; V93-M97 HydrophobicContact CG1-CG 4.48Å; V93-M97 VanDerWaalsContact O-CG 3.31Å; V93-M97 WeakPolarHBondContact O-CG 3.47Å; V93-M97 PolarHBondContact O-N 3.22Å; R94-M97 HydrophobicContact CB-CE 4.41Å; R94-M97 HydrophobicContact CG-CE 3.97Å; R94-M97 PolarHBondContact O-N 2.63Å; R95-M97 PolarHBondContact O-N 2.95Å; M97-M197 HydrophobicContact CB-CE 4.43Å; M97-M197 HydrophobicContact CB-SD 4.22Å; M97-M197 HydrophobicContact CG-CE 4.14Å; M97-M197 HydrophobicContact CG-SD 3.53Å; M97-M197 VanDerWaalsContact CG-SD 3.53Å; M97-M197 HydrophobicContact SD-SD 4.31Å |
| 98 | V | 69.9 | Low | 71.9 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.2 | -47.4 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | P56 R94 R95 Y96 N100 S101 | P56-V98 HydrophobicContact CG-CG2 3.64Å; R94-V98 WeakPolarHBondContact O-CG2 2.93Å; R94-V98 PolarHBondContact O-N 3.4Å; R95-V98 PolarHBondContact O-N 3.34Å; Y96-V98 PolarHBondContact O-N 2.96Å; V98-N100 PolarHBondContact O-N 3.39Å; V98-S101 VanDerWaalsContact O-CB 3.3Å; V98-S101 WeakPolarHBondContact O-CB 3.25Å; V98-S101 PolarHBondContact O-N 3.41Å |
| 99 | F | 66.2 | Low | 72 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 37% | 0.373 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72 | -27.1 | -176.2 | -68.9 | -50.1 | 0 | 0 | 0 | 114 | R95 Y96 S101 F104 H105 | R95-F99 HydrophobicContact CB-CD2 4.09Å; R95-F99 HydrophobicContact CB-CE2 3.9Å; R95-F99 HydrophobicContact CG-CE2 4.47Å; R95-F99 WeakPolarHBondContact O-CD2 3.43Å; R95-F99 WeakPolarHBondContact O-CG 3.34Å; R95-F99 PolarHBondContact O-N 3.1Å; Y96-F99 PolarHBondContact O-N 3.45Å; Y96-F99 VanDerWaalsContact O-N 3.16Å; F99-S101 PolarHBondContact O-N 3.19Å; F99-F104 HydrophobicContact CB-CD1 4.34Å; F99-F104 HydrophobicContact CB-CE1 4.28Å; F99-F104 AromaticContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD2 4.21Å; F99-F104 AromaticContact CD1-CE1 3.43Å; F99-F104 HydrophobicContact CD1-CE1 3.43Å; F99-F104 VanDerWaalsContact CD1-CE1 3.43Å; F99-F104 AromaticContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CG 4.35Å; F99-F104 AromaticContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CE1-CE1 4.18Å; F99-F104 AromaticContact CE1-CE2 3.86Å; F99-F104 HydrophobicContact CE1-CE2 3.86Å; F99-F104 AromaticContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CG-CE1 4.29Å; F99-F104 HydrophobicContact CG-CZ 4.48Å; F99-F104 WeakPolarHBondContact O-CD1 3.4Å; F99-H105 PolarHBondContact O-NE2 3Å |
| 100 | N | 65.9 | Low | 72.2 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.5 | 176.5 | -158.9 | 46.5 | 0 | 0 | 0 | 112.5 | Y96 V98 G102 D188 M197 | Y96-N100 HydrophobicContact CD2-CB 4.25Å; Y96-N100 HydrophobicContact CE2-CB 3.82Å; Y96-N100 VanDerWaalsContact O-CB 3.23Å; Y96-N100 WeakPolarHBondContact O-CB 3.48Å; Y96-N100 PolarHBondContact O-N 2.92Å; Y96-N100 PolarHBondContact OH-ND2 3Å; V98-N100 PolarHBondContact O-N 3.39Å; N100-G102 PolarHBondContact O-N 3.49Å; N100-D188 VanDerWaalsContact ND2-CG 3.27Å; N100-D188 PolarHBondContact ND2-OD1 3.41Å; N100-M197 HydrophobicContact CB-CE 3.6Å; N100-M197 VanDerWaalsContact ND2-CE 3.27Å; N100-M197 WeakPolarHBondContact ND2-CE 3.17Å |
| 101 | S | 65.9 | Low | 72.7 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 12% | 0.119 | 31% | 0.314 | C | S | . | . | trans | -66.8 | 132.7 | 174 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | V98 F99 L103 F104 H105 | V98-S101 VanDerWaalsContact O-CB 3.3Å; V98-S101 WeakPolarHBondContact O-CB 3.25Å; V98-S101 PolarHBondContact O-N 3.41Å; F99-S101 PolarHBondContact O-N 3.19Å; S101-L103 PolarHBondContact O-N 3.07Å; S101-F104 WeakPolarHBondContact O-CA 3.44Å; S101-F104 WeakPolarHBondContact O-CB 3.3Å; S101-F104 PolarHBondContact O-N 3.01Å; S101-H105 PolarHBondContact O-N 2.84Å; S101-H105 VanDerWaalsContact O-N 3.15Å | ||
| 102 | G | 63.3 | Low | 73.4 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -30.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N100 H105 F106 C193 G195 | N100-G102 PolarHBondContact O-N 3.49Å; G102-H105 PolarHBondContact O-N 3.5Å; G102-F106 VanDerWaalsContact O-CB 3.28Å; G102-F106 WeakPolarHBondContact O-CB 3.44Å; G102-F106 PolarHBondContact O-N 2.96Å; G102-C193 CarbonylContact C-O 3.59Å; G102-C193 WeakPolarHBondContact CA-O 3.23Å; G102-G195 VanDerWaalsContact N-N 3.18Å |
| 103 | L | 60.4 | Low | 74.4 | Confident | 114 Ų | 114 | 59.6 Ų | 59.6 | 60% | 0.597 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.2 | -38.9 | 174.3 | -166.8 | 150 | 0 | 0 | 0 | 111.5 | S101 F106 V107 | S101-L103 PolarHBondContact O-N 3.07Å; L103-F106 PolarHBondContact O-N 3.11Å; L103-V107 HydrophobicContact CD2-CG2 4.17Å; L103-V107 WeakPolarHBondContact O-CB 3.49Å; L103-V107 WeakPolarHBondContact O-CG2 3.15Å; L103-V107 PolarHBondContact O-N 3.49Å |
| 104 | F | 68.5 | Low | 75.3 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -48 | 174.8 | -179.3 | -98.1 | 0 | 0 | 0 | 110.7 | F99 S101 F106 V107 L108 | F99-F104 HydrophobicContact CB-CD1 4.34Å; F99-F104 HydrophobicContact CB-CE1 4.28Å; F99-F104 AromaticContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD2 4.21Å; F99-F104 AromaticContact CD1-CE1 3.43Å; F99-F104 HydrophobicContact CD1-CE1 3.43Å; F99-F104 VanDerWaalsContact CD1-CE1 3.43Å; F99-F104 AromaticContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CG 4.35Å; F99-F104 AromaticContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CE1-CE1 4.18Å; F99-F104 AromaticContact CE1-CE2 3.86Å; F99-F104 HydrophobicContact CE1-CE2 3.86Å; F99-F104 AromaticContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CG-CE1 4.29Å; F99-F104 HydrophobicContact CG-CZ 4.48Å; F99-F104 WeakPolarHBondContact O-CD1 3.4Å; S101-F104 WeakPolarHBondContact O-CA 3.44Å; S101-F104 WeakPolarHBondContact O-CB 3.3Å; S101-F104 PolarHBondContact O-N 3.01Å; F104-F106 PolarHBondContact O-N 3.12Å; F104-V107 PolarHBondContact O-N 3.22Å; F104-L108 HydrophobicContact CD1-CB 4.36Å; F104-L108 HydrophobicContact CD1-CD2 4.13Å; F104-L108 HydrophobicContact CE1-CB 4.13Å; F104-L108 HydrophobicContact CE1-CD1 4.38Å; F104-L108 HydrophobicContact CE1-CD2 3.28Å; F104-L108 HydrophobicContact CE1-CG 4.09Å; F104-L108 HydrophobicContact CE2-CD1 4.36Å; F104-L108 HydrophobicContact CZ-CB 4.21Å; F104-L108 HydrophobicContact CZ-CD1 3.84Å; F104-L108 HydrophobicContact CZ-CD2 3.59Å; F104-L108 HydrophobicContact CZ-CG 4.05Å; F104-L108 WeakPolarHBondContact O-CA 3.43Å; F104-L108 WeakPolarHBondContact O-CB 3.25Å; F104-L108 PolarHBondContact O-N 3.39Å |
| 105 | H | 70.7 | Confident | 76.1 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.2 | -77.9 | -65.8 | 0 | 0 | 0 | 113.2 | F99 S101 G102 A109 | F99-H105 PolarHBondContact O-NE2 3Å; S101-H105 PolarHBondContact O-N 2.84Å; S101-H105 VanDerWaalsContact O-N 3.15Å; G102-H105 PolarHBondContact O-N 3.5Å; H105-A109 WeakPolarHBondContact O-CB 3.46Å; H105-A109 PolarHBondContact O-N 2.8Å |
| 106 | F | 71 | Confident | 77 | Confident | 156 Ų | 156 | 57.2 Ų | 57.2 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 178.3 | -177.6 | -99.5 | 0 | 0 | 0 | 112.8 | G102 L103 F104 P110 | G102-F106 VanDerWaalsContact O-CB 3.28Å; G102-F106 WeakPolarHBondContact O-CB 3.44Å; G102-F106 PolarHBondContact O-N 2.96Å; L103-F106 PolarHBondContact O-N 3.11Å; F104-F106 PolarHBondContact O-N 3.12Å; F106-P110 WeakPolarHBondContact O-CD 3.35Å; F106-P110 WeakPolarHBondContact O-CG 3.44Å |
| 107 | V | 77.4 | Confident | 78 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -84.5 | -40.5 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | L103 F104 A109 P110 V111 | L103-V107 HydrophobicContact CD2-CG2 4.17Å; L103-V107 WeakPolarHBondContact O-CB 3.49Å; L103-V107 WeakPolarHBondContact O-CG2 3.15Å; L103-V107 PolarHBondContact O-N 3.49Å; F104-V107 PolarHBondContact O-N 3.22Å; V107-A109 PolarHBondContact O-N 2.7Å; V107-P110 WeakPolarHBondContact O-CD 3.31Å; V107-V111 HydrophobicContact CG1-CG2 4.22Å; V107-V111 WeakPolarHBondContact O-CB 3.33Å; V107-V111 WeakPolarHBondContact O-CG2 3.38Å; V107-V111 PolarHBondContact O-N 3.22Å |
| 108 | L | 80.8 | Confident | 78.9 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | -175.8 | -178.4 | 72.8 | 0 | 0 | 0 | 111.6 | F104 V111 L112 L155 | F104-L108 HydrophobicContact CD1-CB 4.36Å; F104-L108 HydrophobicContact CD1-CD2 4.13Å; F104-L108 HydrophobicContact CE1-CB 4.13Å; F104-L108 HydrophobicContact CE1-CD1 4.38Å; F104-L108 HydrophobicContact CE1-CD2 3.28Å; F104-L108 HydrophobicContact CE1-CG 4.09Å; F104-L108 HydrophobicContact CE2-CD1 4.36Å; F104-L108 HydrophobicContact CZ-CB 4.21Å; F104-L108 HydrophobicContact CZ-CD1 3.84Å; F104-L108 HydrophobicContact CZ-CD2 3.59Å; F104-L108 HydrophobicContact CZ-CG 4.05Å; F104-L108 WeakPolarHBondContact O-CA 3.43Å; F104-L108 WeakPolarHBondContact O-CB 3.25Å; F104-L108 PolarHBondContact O-N 3.39Å; L108-V111 PolarHBondContact O-N 2.8Å; L108-L112 HydrophobicContact CD1-CD1 3.75Å; L108-L112 HydrophobicContact CD1-CD2 4.16Å; L108-L112 HydrophobicContact CD1-CG 3.67Å; L108-L112 HydrophobicContact CD2-CD1 3.83Å; L108-L112 HydrophobicContact CG-CD1 3.51Å; L108-L112 HydrophobicContact CG-CG 3.82Å; L108-L112 VanDerWaalsContact O-CB 3.26Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 2.87Å; L108-L155 HydrophobicContact CD2-CD1 3.49Å; L108-L155 VanDerWaalsContact CD2-CD1 3.49Å |
| 109 | A | 83.8 | Confident | 79.8 | Confident | 33 Ų | 33 | 63 Ų | 63 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | H105 V107 Y113 I152 | H105-A109 WeakPolarHBondContact O-CB 3.46Å; H105-A109 PolarHBondContact O-N 2.8Å; V107-A109 PolarHBondContact O-N 2.7Å; A109-Y113 WeakPolarHBondContact O-CB 3.4Å; A109-Y113 PolarHBondContact O-N 2.93Å; A109-I152 HydrophobicContact CB-CD1 4.04Å |
| 110 | P | 85.9 | Confident | 80.9 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 173.9 | -22.4 | 33.4 | 0 | 0 | 0 | 113.2 | F106 V107 Y113 V114 | F106-P110 WeakPolarHBondContact O-CD 3.35Å; F106-P110 WeakPolarHBondContact O-CG 3.44Å; V107-P110 WeakPolarHBondContact O-CD 3.31Å; P110-Y113 PolarHBondContact O-N 3.15Å; P110-V114 WeakPolarHBondContact O-CG2 3.45Å; P110-V114 PolarHBondContact O-N 3.48Å |
| 111 | V | 88.4 | Confident | 82 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | -179.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | V107 L108 Y113 V114 V115 | V107-V111 HydrophobicContact CG1-CG2 4.22Å; V107-V111 WeakPolarHBondContact O-CB 3.33Å; V107-V111 WeakPolarHBondContact O-CG2 3.38Å; V107-V111 PolarHBondContact O-N 3.22Å; L108-V111 PolarHBondContact O-N 2.8Å; V111-Y113 VanDerWaalsContact C-N 3.34Å; V111-Y113 PolarHBondContact O-N 2.94Å; V111-V114 PolarHBondContact O-N 3.06Å; V111-V115 HydrophobicContact CG1-CG2 4.39Å; V111-V115 WeakPolarHBondContact O-CB 3.38Å; V111-V115 VanDerWaalsContact O-CG2 3.27Å; V111-V115 WeakPolarHBondContact O-CG2 3.4Å; V111-V115 PolarHBondContact O-N 3.29Å |
| 112 | L | 86.3 | Confident | 83 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.3 | -75.7 | -179.2 | 0 | 0 | 0 | 111.2 | L108 V114 V115 L116 T148 I151 | L108-L112 HydrophobicContact CD1-CD1 3.75Å; L108-L112 HydrophobicContact CD1-CD2 4.16Å; L108-L112 HydrophobicContact CD1-CG 3.67Å; L108-L112 HydrophobicContact CD2-CD1 3.83Å; L108-L112 HydrophobicContact CG-CD1 3.51Å; L108-L112 HydrophobicContact CG-CG 3.82Å; L108-L112 VanDerWaalsContact O-CB 3.26Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 2.87Å; L112-V114 PolarHBondContact O-N 3.46Å; L112-V115 PolarHBondContact O-N 3.25Å; L112-L116 VanDerWaalsContact O-CB 3.22Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.39Å; L112-L116 PolarHBondContact O-N 2.93Å; L112-T148 HydrophobicContact CB-CG2 4.45Å; L112-I151 HydrophobicContact CD1-CG2 3.78Å |
| 113 | Y | 90.6 | Very high | 84 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 31% | 0.306 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 177.9 | 173.4 | -101.4 | 0 | 0 | 0 | 111.4 | A109 P110 V111 L116 W117 I145 | A109-Y113 WeakPolarHBondContact O-CB 3.4Å; A109-Y113 PolarHBondContact O-N 2.93Å; P110-Y113 PolarHBondContact O-N 3.15Å; V111-Y113 VanDerWaalsContact C-N 3.34Å; V111-Y113 PolarHBondContact O-N 2.94Å; Y113-L116 PolarHBondContact O-N 2.84Å; Y113-W117 AromaticContact CZ-CD1 3.77Å; Y113-W117 WeakPolarHBondContact O-CB 3.24Å; Y113-W117 PolarHBondContact O-N 3.25Å; Y113-I145 HydrophobicContact CD2-CG1 4.47Å; Y113-I145 HydrophobicContact CE2-CG1 3.92Å |
| 114 | V | 92 | Very high | 85 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | -179.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | P110 V111 L112 W117 C118 | P110-V114 WeakPolarHBondContact O-CG2 3.45Å; P110-V114 PolarHBondContact O-N 3.48Å; V111-V114 PolarHBondContact O-N 3.06Å; L112-V114 PolarHBondContact O-N 3.46Å; V114-W117 PolarHBondContact O-N 2.79Å; V114-C118 WeakPolarHBondContact O-CB 3.28Å; V114-C118 PolarHBondContact O-N 2.85Å; V114-C118 PolarHBondContact O-SG 3.26Å |
| 115 | V | 92.4 | Very high | 85.6 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | V111 L112 C118 A119 | V111-V115 HydrophobicContact CG1-CG2 4.39Å; V111-V115 WeakPolarHBondContact O-CB 3.38Å; V111-V115 VanDerWaalsContact O-CG2 3.27Å; V111-V115 WeakPolarHBondContact O-CG2 3.4Å; V111-V115 PolarHBondContact O-N 3.29Å; L112-V115 PolarHBondContact O-N 3.25Å; V115-C118 PolarHBondContact O-N 2.99Å; V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.79Å |
| 116 | L | 91.6 | Very high | 85.9 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.1 | -72.3 | 176.1 | 0 | 0 | 0 | 111.6 | L112 Y113 C118 A119 V120 L147 T148 I151 | L112-L116 VanDerWaalsContact O-CB 3.22Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.39Å; L112-L116 PolarHBondContact O-N 2.93Å; Y113-L116 PolarHBondContact O-N 2.84Å; L116-C118 PolarHBondContact O-N 3.17Å; L116-A119 PolarHBondContact O-N 2.76Å; L116-V120 VanDerWaalsContact O-CB 3.23Å; L116-V120 WeakPolarHBondContact O-CB 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.33Å; L116-V120 PolarHBondContact O-N 3.48Å; L116-L147 HydrophobicContact CD1-CB 4.06Å; L116-L147 HydrophobicContact CD1-CD2 4Å; L116-L147 HydrophobicContact CD1-CG 3.77Å; L116-L147 HydrophobicContact CD2-CD2 3.43Å; L116-L147 VanDerWaalsContact CD2-CD2 3.43Å; L116-L147 HydrophobicContact CD2-CG 4.08Å; L116-L147 HydrophobicContact CG-CD2 4.21Å; L116-T148 WeakPolarHBondContact CD1-OG1 3.49Å; L116-I151 HydrophobicContact CD1-CD1 3.88Å |
| 117 | W | 93.6 | Very high | 86.1 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.9 | -166.4 | 99.5 | 0 | 0 | 0 | 111 | Y113 V114 F121 V140 S141 S144 | Y113-W117 AromaticContact CZ-CD1 3.77Å; Y113-W117 WeakPolarHBondContact O-CB 3.24Å; Y113-W117 PolarHBondContact O-N 3.25Å; V114-W117 PolarHBondContact O-N 2.79Å; W117-F121 HydrophobicContact CE3-CB 4.18Å; W117-F121 HydrophobicContact CH2-CB 4.48Å; W117-F121 AromaticContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CE2 4.32Å; W117-F121 HydrophobicContact CH2-CG 4.16Å; W117-F121 HydrophobicContact CZ2-CD2 4.38Å; W117-F121 HydrophobicContact CZ3-CB 4.05Å; W117-F121 HydrophobicContact CZ3-CD2 4.18Å; W117-F121 HydrophobicContact CZ3-CG 4.01Å; W117-F121 WeakPolarHBondContact O-CB 3.44Å; W117-F121 PolarHBondContact O-N 3.32Å; W117-V140 HydrophobicContact CD2-CG1 3.98Å; W117-V140 HydrophobicContact CG-CG1 4.04Å; W117-V140 HydrophobicContact CZ2-CG1 4.28Å; W117-S141 PolarHBondContact NE1-OG 3.46Å; W117-S144 VanDerWaalsContact CA-OG 3.25Å; W117-S144 WeakPolarHBondContact CA-OG 3.39Å |
| 118 | C | 91.3 | Very high | 85.7 | Confident | 64 Ų | 64 | 70 Ų | 70 | 43% | 0.432 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 173.9 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | V114 V115 L116 F121 S122 | V114-C118 WeakPolarHBondContact O-CB 3.28Å; V114-C118 PolarHBondContact O-N 2.85Å; V114-C118 PolarHBondContact O-SG 3.26Å; V115-C118 PolarHBondContact O-N 2.99Å; L116-C118 PolarHBondContact O-N 3.17Å; C118-F121 PolarHBondContact O-N 3.18Å; C118-S122 WeakPolarHBondContact O-CB 3.33Å; C118-S122 PolarHBondContact O-N 3.3Å; C118-S122 PolarHBondContact O-OG 2.92Å; C118-S122 VanDerWaalsContact O-OG 3.07Å |
| 119 | A | 90.1 | Very high | 85.1 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V115 L116 T123 | V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.79Å; L116-A119 PolarHBondContact O-N 2.76Å; A119-T123 WeakPolarHBondContact O-CB 3.41Å; A119-T123 PolarHBondContact O-N 2.98Å; A119-T123 PolarHBondContact O-OG1 3.45Å |
| 120 | V | 88.6 | Confident | 83.9 | Confident | 20 Ų | 20 | 78 Ų | 78 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 178.5 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | L116 T123 L124 V140 V143 | L116-V120 VanDerWaalsContact O-CB 3.23Å; L116-V120 WeakPolarHBondContact O-CB 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.33Å; L116-V120 PolarHBondContact O-N 3.48Å; V120-T123 PolarHBondContact O-N 2.81Å; V120-L124 HydrophobicContact CG1-CD1 3.47Å; V120-L124 VanDerWaalsContact CG1-CD1 3.47Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3.24Å; V120-V140 HydrophobicContact CB-CG1 4.33Å; V120-V140 HydrophobicContact CG1-CB 4.27Å; V120-V140 HydrophobicContact CG1-CG1 4.01Å; V120-V140 HydrophobicContact CG1-CG2 4.23Å; V120-V143 HydrophobicContact CG1-CB 4.15Å; V120-V143 HydrophobicContact CG1-CG1 3.95Å; V120-V143 HydrophobicContact CG2-CG1 4.16Å |
| 121 | F | 88.5 | Confident | 82.7 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 19% | 0.193 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.5 | -52.2 | 174.3 | -176.5 | -98.1 | 0 | 0 | 0 | 111.7 | W117 C118 T123 L124 H125 L136 V140 | W117-F121 HydrophobicContact CE3-CB 4.18Å; W117-F121 HydrophobicContact CH2-CB 4.48Å; W117-F121 AromaticContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CE2 4.32Å; W117-F121 HydrophobicContact CH2-CG 4.16Å; W117-F121 HydrophobicContact CZ2-CD2 4.38Å; W117-F121 HydrophobicContact CZ3-CB 4.05Å; W117-F121 HydrophobicContact CZ3-CD2 4.18Å; W117-F121 HydrophobicContact CZ3-CG 4.01Å; W117-F121 WeakPolarHBondContact O-CB 3.44Å; W117-F121 PolarHBondContact O-N 3.32Å; C118-F121 PolarHBondContact O-N 3.18Å; F121-T123 PolarHBondContact O-N 3.38Å; F121-L124 PolarHBondContact O-N 3.14Å; F121-H125 HydrophobicContact CE1-CB 4.48Å; F121-H125 AromaticContact CZ-CD2 3.98Å; F121-H125 WeakPolarHBondContact O-CB 3.19Å; F121-H125 PolarHBondContact O-N 2.91Å; F121-L136 HydrophobicContact CE2-CD2 4.08Å; F121-V140 HydrophobicContact CB-CG1 3.92Å; F121-V140 HydrophobicContact CB-CG2 4.45Å; F121-V140 HydrophobicContact CD2-CG1 4.49Å; F121-V140 HydrophobicContact CD2-CG2 4.27Å |
| 122 | S | 87.3 | Confident | 81.9 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.8 | -36.3 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | C118 | C118-S122 WeakPolarHBondContact O-CB 3.33Å; C118-S122 PolarHBondContact O-N 3.3Å; C118-S122 PolarHBondContact O-OG 2.92Å; C118-S122 VanDerWaalsContact O-OG 3.07Å |
| 123 | T | 85.7 | Confident | 81.6 | Confident | 82 Ų | 82 | 85.6 Ų | 85.6 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.8 | -53.3 | 178 | -51.2 | 0 | 0 | 0 | 0 | 111 | A119 V120 F121 L126 Y127 | A119-T123 WeakPolarHBondContact O-CB 3.41Å; A119-T123 PolarHBondContact O-N 2.98Å; A119-T123 PolarHBondContact O-OG1 3.45Å; V120-T123 PolarHBondContact O-N 2.81Å; F121-T123 PolarHBondContact O-N 3.38Å; T123-L126 WeakPolarHBondContact O-CB 3.27Å; T123-L126 PolarHBondContact O-N 2.62Å; T123-Y127 HydrophobicContact CG2-CD2 4.46Å; T123-Y127 HydrophobicContact CG2-CE2 4.15Å; T123-Y127 WeakPolarHBondContact O-CD2 3.33Å |
| 124 | L | 81.3 | Confident | 81.2 | Confident | 48 Ų | 48 | 92.1 Ų | 92.1 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.9 | -34.2 | -175.4 | -80.3 | 158.4 | 0 | 0 | 0 | 113.6 | V120 F121 L126 Y127 I128 L136 V140 | V120-L124 HydrophobicContact CG1-CD1 3.47Å; V120-L124 VanDerWaalsContact CG1-CD1 3.47Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3.24Å; F121-L124 PolarHBondContact O-N 3.14Å; L124-L126 PolarHBondContact O-N 2.89Å; L124-Y127 PolarHBondContact O-N 3.09Å; L124-I128 HydrophobicContact CD2-CD1 3.88Å; L124-I128 PolarHBondContact O-N 3.2Å; L124-L136 HydrophobicContact CB-CD1 3.81Å; L124-V140 HydrophobicContact CB-CG2 4.26Å; L124-V140 HydrophobicContact CD1-CG2 3.7Å |
| 125 | H | 80.3 | Confident | 80.8 | Confident | 96 Ų | 96 | 92.7 Ų | 92.7 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -24.7 | 175.3 | -176.8 | -83.9 | 0 | 0 | 0 | 112.1 | F121 L136 | F121-H125 HydrophobicContact CE1-CB 4.48Å; F121-H125 AromaticContact CZ-CD2 3.98Å; F121-H125 WeakPolarHBondContact O-CB 3.19Å; F121-H125 PolarHBondContact O-N 2.91Å; H125-L136 HydrophobicContact CB-CD2 4.37Å |
| 126 | L | 77.6 | Confident | 80.3 | Confident | 138 Ų | 138 | 88.8 Ų | 88.8 | 72% | 0.723 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -78.5 | -24.5 | 177.2 | -154.7 | 119.3 | 0 | 0 | 0 | 112.9 | T123 L124 | T123-L126 WeakPolarHBondContact O-CB 3.27Å; T123-L126 PolarHBondContact O-N 2.62Å; L124-L126 PolarHBondContact O-N 2.89Å |
| 127 | Y | 74.3 | Confident | 80.1 | Confident | 179 Ų | 179 | 89.6 Ų | 89.6 | 70% | 0.702 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -104.2 | -26.9 | -174.9 | -70.2 | -75.2 | 0 | 0 | 0 | 114 | T123 L124 | T123-Y127 HydrophobicContact CG2-CD2 4.46Å; T123-Y127 HydrophobicContact CG2-CE2 4.15Å; T123-Y127 WeakPolarHBondContact O-CD2 3.33Å; L124-Y127 PolarHBondContact O-N 3.09Å |
| 128 | I | 69.6 | Low | 79.8 | Confident | 74 Ų | 74 | 92.4 Ų | 92.4 | 38% | 0.379 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -101.1 | 118 | -177.9 | -65.5 | 173.2 | 0 | 0 | 0 | 109.2 | L124 L136 | L124-I128 HydrophobicContact CD2-CD1 3.88Å; L124-I128 PolarHBondContact O-N 3.2Å; I128-L136 HydrophobicContact CB-CD1 4.17Å; I128-L136 HydrophobicContact CD1-CD1 3.86Å; I128-L136 HydrophobicContact CG2-CD1 4.43Å |
| 129 | T | 67.2 | Low | 79.5 | Confident | 110 Ų | 110 | 91 Ų | 91 | 68% | 0.675 | 48% | 0.477 | S | S | * | . | trans | -66.9 | 142.3 | 173.5 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | T131 | T129-T131 PolarHBondContact O-N 3.1Å; T129-T131 PolarHBondContact O-OG1 3.32Å | ||
| 130 | V | 58.8 | Low | 79.5 | Confident | 122 Ų | 122 | 88.6 Ų | 88.6 | 74% | 0.739 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -58.8 | 8.2 | -162.9 | -166.5 | 0 | 0 | 0 | 0 | 116.6 | D132 | V130-D132 PolarHBondContact O-N 3.33Š|
| 131 | T | 62.1 | Low | 79.6 | Confident | 119 Ų | 119 | 88.8 Ų | 88.8 | 73% | 0.73 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -70.5 | -25.4 | -171 | 41.5 | 0 | 0 | 0 | 0 | 114.5 | T129 | T129-T131 PolarHBondContact O-N 3.1Å; T129-T131 PolarHBondContact O-OG1 3.32Å |
| 132 | D | 71.4 | Confident | 79.7 | Confident | 105 Ų | 105 | 91.4 Ų | 91.4 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -136.7 | 72.4 | 177.3 | -76.9 | -52.7 | 0 | 0 | 0 | 112.8 | V130 W134 V135 L136 | V130-D132 PolarHBondContact O-N 3.33Å; D132-W134 PolarHBondContact O-N 3.29Å; D132-V135 HydrophobicContact CB-CB 3.97Å; D132-V135 HydrophobicContact CB-CG2 3.82Å; D132-V135 WeakPolarHBondContact O-CB 3.34Å; D132-V135 PolarHBondContact O-N 2.9Å; D132-L136 PolarHBondContact O-N 3.01Å; D132-L136 VanDerWaalsContact O-N 3.13Å |
| 133 | Y | 79.8 | Confident | 79.9 | Confident | 125 Ų | 125 | 90.6 Ų | 90.6 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -53.9 | -34.8 | 179 | -175.4 | -109.1 | 0 | 0 | 0 | 113.8 | L136 I137 | Y133-L136 WeakPolarHBondContact O-CB 3.35Å; Y133-L136 PolarHBondContact O-N 3.33Å; Y133-I137 HydrophobicContact CD1-CD1 3.58Å; Y133-I137 HydrophobicContact CD1-CG1 4.44Å; Y133-I137 HydrophobicContact CE1-CD1 3.14Å; Y133-I137 HydrophobicContact CE1-CG1 4.12Å; Y133-I137 HydrophobicContact CE2-CD1 4.37Å; Y133-I137 HydrophobicContact CG-CD1 4.37Å; Y133-I137 WeakPolarHBondContact O-CG1 3.44Å; Y133-I137 PolarHBondContact O-N 3.27Å |
| 134 | W | 81.9 | Confident | 80.1 | Confident | 215 Ų | 215 | 86.7 Ų | 86.7 | 81% | 0.814 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 175.9 | -71.9 | 106.3 | 0 | 0 | 0 | 112.9 | D132 L136 I137 L138 | D132-W134 PolarHBondContact O-N 3.29Å; W134-L136 VanDerWaalsContact C-N 3.35Å; W134-I137 PolarHBondContact O-N 3.41Å; W134-L138 WeakPolarHBondContact O-CB 3.33Å; W134-L138 PolarHBondContact O-N 3.16Å |
| 135 | V | 82.9 | Confident | 80.6 | Confident | 94 Ų | 94 | 88.6 Ų | 88.6 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.9 | -37.7 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | D132 L138 S139 | D132-V135 HydrophobicContact CB-CB 3.97Å; D132-V135 HydrophobicContact CB-CG2 3.82Å; D132-V135 WeakPolarHBondContact O-CB 3.34Å; D132-V135 PolarHBondContact O-N 2.9Å; V135-L138 PolarHBondContact O-N 3.05Å; V135-S139 VanDerWaalsContact O-CB 3.3Å; V135-S139 WeakPolarHBondContact O-CB 3.41Å; V135-S139 PolarHBondContact O-N 2.95Å; V135-S139 PolarHBondContact O-OG 3.38Å |
| 136 | L | 83.6 | Confident | 81.1 | Confident | 8 Ų | 8 | 89.2 Ų | 89.2 | 4% | 0.042 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 173 | -176.1 | 70.7 | 0 | 0 | 0 | 111.4 | F121 L124 H125 I128 D132 Y133 W134 L138 S139 V140 | F121-L136 HydrophobicContact CE2-CD2 4.08Å; L124-L136 HydrophobicContact CB-CD1 3.81Å; H125-L136 HydrophobicContact CB-CD2 4.37Å; I128-L136 HydrophobicContact CB-CD1 4.17Å; I128-L136 HydrophobicContact CD1-CD1 3.86Å; I128-L136 HydrophobicContact CG2-CD1 4.43Å; D132-L136 PolarHBondContact O-N 3.01Å; D132-L136 VanDerWaalsContact O-N 3.13Å; Y133-L136 WeakPolarHBondContact O-CB 3.35Å; Y133-L136 PolarHBondContact O-N 3.33Å; W134-L136 VanDerWaalsContact C-N 3.35Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 3.23Å; L136-S139 WeakPolarHBondContact CA-OG 3.46Å; L136-S139 PolarHBondContact O-N 3.49Å; L136-S139 PolarHBondContact O-OG 3.31Å; L136-V140 HydrophobicContact CD1-CG2 4.26Å; L136-V140 HydrophobicContact CG-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CB 3.46Å; L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.5Å |
| 137 | I | 85.8 | Confident | 81.6 | Confident | 44 Ų | 44 | 86.1 Ų | 86.1 | 23% | 0.226 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 178.7 | -70 | 167.3 | 0 | 0 | 0 | 111.5 | Y133 W134 S141 | Y133-I137 HydrophobicContact CD1-CD1 3.58Å; Y133-I137 HydrophobicContact CD1-CG1 4.44Å; Y133-I137 HydrophobicContact CE1-CD1 3.14Å; Y133-I137 HydrophobicContact CE1-CG1 4.12Å; Y133-I137 HydrophobicContact CE2-CD1 4.37Å; Y133-I137 HydrophobicContact CG-CD1 4.37Å; Y133-I137 WeakPolarHBondContact O-CG1 3.44Å; Y133-I137 PolarHBondContact O-N 3.27Å; W134-I137 PolarHBondContact O-N 3.41Å; I137-S141 VanDerWaalsContact O-CB 3.31Å; I137-S141 WeakPolarHBondContact O-CB 3.32Å; I137-S141 PolarHBondContact O-N 2.96Å; I137-S141 PolarHBondContact O-OG 2.81Å |
| 138 | L | 87.6 | Confident | 82.3 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 64% | 0.644 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | -177.7 | -166.1 | 151.7 | 0 | 0 | 0 | 111 | W134 V135 L136 S141 L142 | W134-L138 WeakPolarHBondContact O-CB 3.33Å; W134-L138 PolarHBondContact O-N 3.16Å; V135-L138 PolarHBondContact O-N 3.05Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 3.23Å; L138-S141 PolarHBondContact O-N 3.22Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 PolarHBondContact O-N 2.99Å |
| 139 | S | 84.9 | Confident | 83.1 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 25% | 0.245 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 177.1 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | V135 L136 S141 L142 V143 | V135-S139 VanDerWaalsContact O-CB 3.3Å; V135-S139 WeakPolarHBondContact O-CB 3.41Å; V135-S139 PolarHBondContact O-N 2.95Å; V135-S139 PolarHBondContact O-OG 3.38Å; L136-S139 WeakPolarHBondContact CA-OG 3.46Å; L136-S139 PolarHBondContact O-N 3.49Å; L136-S139 PolarHBondContact O-OG 3.31Å; S139-S141 VanDerWaalsContact C-N 3.32Å; S139-S141 PolarHBondContact O-N 3.39Å; S139-L142 PolarHBondContact O-N 2.95Å; S139-V143 WeakPolarHBondContact O-CG2 3.39Å; S139-V143 PolarHBondContact O-N 3.12Å |
| 140 | V | 90.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 175.7 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | W117 V120 F121 L124 L136 V143 S144 | W117-V140 HydrophobicContact CD2-CG1 3.98Å; W117-V140 HydrophobicContact CG-CG1 4.04Å; W117-V140 HydrophobicContact CZ2-CG1 4.28Å; V120-V140 HydrophobicContact CB-CG1 4.33Å; V120-V140 HydrophobicContact CG1-CB 4.27Å; V120-V140 HydrophobicContact CG1-CG1 4.01Å; V120-V140 HydrophobicContact CG1-CG2 4.23Å; F121-V140 HydrophobicContact CB-CG1 3.92Å; F121-V140 HydrophobicContact CB-CG2 4.45Å; F121-V140 HydrophobicContact CD2-CG1 4.49Å; F121-V140 HydrophobicContact CD2-CG2 4.27Å; L124-V140 HydrophobicContact CB-CG2 4.26Å; L124-V140 HydrophobicContact CD1-CG2 3.7Å; L136-V140 HydrophobicContact CD1-CG2 4.26Å; L136-V140 HydrophobicContact CG-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CB 3.46Å; L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.5Å; V140-V143 PolarHBondContact O-N 2.86Å; V140-S144 VanDerWaalsContact O-CB 3.28Å; V140-S144 WeakPolarHBondContact O-CB 3.33Å; V140-S144 PolarHBondContact O-N 3.41Å; V140-S144 PolarHBondContact O-OG 2.88Å |
| 141 | S | 91.3 | Very high | 85.4 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 18% | 0.175 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -44.3 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | W117 I137 L138 S139 S144 I145 | W117-S141 PolarHBondContact NE1-OG 3.46Å; I137-S141 VanDerWaalsContact O-CB 3.31Å; I137-S141 WeakPolarHBondContact O-CB 3.32Å; I137-S141 PolarHBondContact O-N 2.96Å; I137-S141 PolarHBondContact O-OG 2.81Å; L138-S141 PolarHBondContact O-N 3.22Å; S139-S141 VanDerWaalsContact C-N 3.32Å; S139-S141 PolarHBondContact O-N 3.39Å; S141-S144 PolarHBondContact O-N 2.7Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.49Å; S141-I145 PolarHBondContact O-N 3.39Å |
| 142 | L | 90.8 | Very high | 86.4 | Confident | 98 Ų | 98 | 69.3 Ų | 69.3 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 177.1 | -176.6 | 67.2 | 0 | 0 | 0 | 111.8 | L138 S139 S144 I145 L146 | L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 PolarHBondContact O-N 2.99Å; S139-L142 PolarHBondContact O-N 2.95Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 2.98Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-L146 HydrophobicContact CG-CD1 4.39Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.09Å |
| 143 | V | 89.9 | Confident | 86.9 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | V120 S139 V140 L146 L147 | V120-V143 HydrophobicContact CG1-CB 4.15Å; V120-V143 HydrophobicContact CG1-CG1 3.95Å; V120-V143 HydrophobicContact CG2-CG1 4.16Å; S139-V143 WeakPolarHBondContact O-CG2 3.39Å; S139-V143 PolarHBondContact O-N 3.12Å; V140-V143 PolarHBondContact O-N 2.86Å; V143-L146 PolarHBondContact O-N 3.34Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 PolarHBondContact O-N 3.27Å |
| 144 | S | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | W117 V140 S141 L142 T148 | W117-S144 VanDerWaalsContact CA-OG 3.25Å; W117-S144 WeakPolarHBondContact CA-OG 3.39Å; V140-S144 VanDerWaalsContact O-CB 3.28Å; V140-S144 WeakPolarHBondContact O-CB 3.33Å; V140-S144 PolarHBondContact O-N 3.41Å; V140-S144 PolarHBondContact O-OG 2.88Å; S141-S144 PolarHBondContact O-N 2.7Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 2.98Å; S144-T148 VanDerWaalsContact O-CB 3.26Å; S144-T148 WeakPolarHBondContact O-CB 3.37Å; S144-T148 PolarHBondContact O-N 3.3Å; S144-T148 PolarHBondContact O-OG1 2.59Å |
| 145 | I | 90.7 | Very high | 86.7 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 45% | 0.451 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 173.5 | -70 | 166.1 | 0 | 0 | 0 | 110.4 | Y113 S141 L142 L147 T148 T149 | Y113-I145 HydrophobicContact CD2-CG1 4.47Å; Y113-I145 HydrophobicContact CE2-CG1 3.92Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.49Å; S141-I145 PolarHBondContact O-N 3.39Å; L142-I145 PolarHBondContact O-N 3.44Å; I145-L147 PolarHBondContact O-N 2.96Å; I145-T148 PolarHBondContact O-N 3.47Å; I145-T149 VanDerWaalsContact O-CB 3.31Å; I145-T149 WeakPolarHBondContact O-CB 3.4Å; I145-T149 PolarHBondContact O-N 2.9Å; I145-T149 PolarHBondContact O-OG1 3.44Å |
| 146 | L | 90.8 | Very high | 86.4 | Confident | 108 Ų | 108 | 64.1 Ų | 64.1 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 179.1 | -70.9 | 174.4 | 0 | 0 | 0 | 111.5 | L142 V143 T149 A150 | L142-L146 HydrophobicContact CG-CD1 4.39Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.09Å; V143-L146 PolarHBondContact O-N 3.34Å; L146-T149 PolarHBondContact O-N 3.09Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.36Å |
| 147 | L | 88.8 | Confident | 85.9 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | -179.9 | -172 | 58.4 | 0 | 0 | 0 | 112 | L116 V143 I145 T149 A150 I151 | L116-L147 HydrophobicContact CD1-CB 4.06Å; L116-L147 HydrophobicContact CD1-CD2 4Å; L116-L147 HydrophobicContact CD1-CG 3.77Å; L116-L147 HydrophobicContact CD2-CD2 3.43Å; L116-L147 VanDerWaalsContact CD2-CD2 3.43Å; L116-L147 HydrophobicContact CD2-CG 4.08Å; L116-L147 HydrophobicContact CG-CD2 4.21Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 PolarHBondContact O-N 3.27Å; I145-L147 PolarHBondContact O-N 2.96Å; L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 2.88Å; L147-A150 PolarHBondContact O-N 2.89Å; L147-I151 HydrophobicContact CG-CD1 4.44Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.91Å |
| 148 | T | 88.8 | Confident | 85.2 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 173.9 | -55 | 0 | 0 | 0 | 0 | 110.6 | L112 L116 S144 I145 A150 I151 I152 | L112-T148 HydrophobicContact CB-CG2 4.45Å; L116-T148 WeakPolarHBondContact CD1-OG1 3.49Å; S144-T148 VanDerWaalsContact O-CB 3.26Å; S144-T148 WeakPolarHBondContact O-CB 3.37Å; S144-T148 PolarHBondContact O-N 3.3Å; S144-T148 PolarHBondContact O-OG1 2.59Å; I145-T148 PolarHBondContact O-N 3.47Å; T148-A150 PolarHBondContact O-N 2.93Å; T148-I151 PolarHBondContact O-N 2.63Å; T148-I152 HydrophobicContact CG2-CD1 3.91Å; T148-I152 VanDerWaalsContact O-CG1 3.3Å; T148-I152 WeakPolarHBondContact O-CG1 3.43Å; T148-I152 PolarHBondContact O-N 3.38Å |
| 149 | T | 87.1 | Confident | 84.4 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | I145 L146 L147 I152 Y153 | I145-T149 VanDerWaalsContact O-CB 3.31Å; I145-T149 WeakPolarHBondContact O-CB 3.4Å; I145-T149 PolarHBondContact O-N 2.9Å; I145-T149 PolarHBondContact O-OG1 3.44Å; L146-T149 PolarHBondContact O-N 3.09Å; L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 2.88Å; T149-I152 PolarHBondContact O-N 3.35Å; T149-Y153 VanDerWaalsContact O-CB 3.29Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 3.34Å |
| 150 | A | 87.9 | Confident | 83.7 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L146 L147 T148 Y153 I154 | L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.36Å; L147-A150 PolarHBondContact O-N 2.89Å; T148-A150 PolarHBondContact O-N 2.93Å; A150-Y153 PolarHBondContact O-N 2.88Å; A150-I154 VanDerWaalsContact O-CG1 3.27Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.42Å |
| 151 | I | 86.2 | Confident | 82.8 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 176.8 | -65.6 | 169.2 | 0 | 0 | 0 | 110.9 | L112 L116 L147 T148 Y153 I154 L155 | L112-I151 HydrophobicContact CD1-CG2 3.78Å; L116-I151 HydrophobicContact CD1-CD1 3.88Å; L147-I151 HydrophobicContact CG-CD1 4.44Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.91Å; T148-I151 PolarHBondContact O-N 2.63Å; I151-Y153 VanDerWaalsContact C-N 3.27Å; I151-Y153 PolarHBondContact O-N 3.24Å; I151-I154 PolarHBondContact O-N 3.11Å; I151-L155 HydrophobicContact CG2-CD1 4.11Å; I151-L155 HydrophobicContact CG2-CG 4.48Å; I151-L155 WeakPolarHBondContact O-CG 3.4Å; I151-L155 PolarHBondContact O-N 3.46Å |
| 152 | I | 82.6 | Confident | 81.7 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 176.6 | -68.2 | 168.8 | 0 | 0 | 0 | 110.6 | A109 T148 T149 L155 H156 | A109-I152 HydrophobicContact CB-CD1 4.04Å; T148-I152 HydrophobicContact CG2-CD1 3.91Å; T148-I152 VanDerWaalsContact O-CG1 3.3Å; T148-I152 WeakPolarHBondContact O-CG1 3.43Å; T148-I152 PolarHBondContact O-N 3.38Å; T149-I152 PolarHBondContact O-N 3.35Å; I152-L155 PolarHBondContact O-N 2.87Å; I152-H156 WeakPolarHBondContact O-CB 3.45Å; I152-H156 PolarHBondContact O-N 3.19Å |
| 153 | Y | 82.1 | Confident | 80.9 | Confident | 156 Ų | 156 | 70.3 Ų | 70.3 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 177.2 | -179.4 | -95.4 | 0 | 0 | 0 | 112.2 | T149 A150 I151 L155 H156 H157 | T149-Y153 VanDerWaalsContact O-CB 3.29Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 3.34Å; A150-Y153 PolarHBondContact O-N 2.88Å; I151-Y153 VanDerWaalsContact C-N 3.27Å; I151-Y153 PolarHBondContact O-N 3.24Å; Y153-L155 VanDerWaalsContact C-N 3.35Å; Y153-L155 PolarHBondContact O-N 3.28Å; Y153-H156 PolarHBondContact O-N 3.34Å; Y153-H157 WeakPolarHBondContact O-CB 3.47Å; Y153-H157 PolarHBondContact O-N 3.14Å |
| 154 | I | 82.3 | Confident | 80.2 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 57% | 0.569 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -45.4 | 175.9 | -69.2 | 164.2 | 0 | 0 | 0 | 110.4 | A150 I151 H156 H157 S158 | A150-I154 VanDerWaalsContact O-CG1 3.27Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.42Å; I151-I154 PolarHBondContact O-N 3.11Å; I154-H156 PolarHBondContact O-N 3.44Å; I154-H157 PolarHBondContact O-N 2.85Å; I154-S158 WeakPolarHBondContact O-CB 3.49Å; I154-S158 PolarHBondContact O-N 3.09Å; I154-S158 PolarHBondContact O-OG 3.14Å |
| 155 | L | 75.9 | Confident | 79.7 | Confident | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.9 | -71.7 | 172.5 | 0 | 0 | 0 | 110.8 | L108 I151 I152 Y153 H157 S158 N159 | L108-L155 HydrophobicContact CD2-CD1 3.49Å; L108-L155 VanDerWaalsContact CD2-CD1 3.49Å; I151-L155 HydrophobicContact CG2-CD1 4.11Å; I151-L155 HydrophobicContact CG2-CG 4.48Å; I151-L155 WeakPolarHBondContact O-CG 3.4Å; I151-L155 PolarHBondContact O-N 3.46Å; I152-L155 PolarHBondContact O-N 2.87Å; Y153-L155 VanDerWaalsContact C-N 3.35Å; Y153-L155 PolarHBondContact O-N 3.28Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.88Å; L155-S158 PolarHBondContact O-N 2.83Å; L155-S158 PolarHBondContact O-OG 2.86Å; L155-N159 VanDerWaalsContact O-CB 3.31Å; L155-N159 WeakPolarHBondContact O-CB 3.31Å; L155-N159 PolarHBondContact O-N 2.86Å; L155-N159 PolarHBondContact O-OD1 2.94Å |
| 156 | H | 75.4 | Confident | 79.2 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 177.2 | -177.8 | -86.2 | 0 | 0 | 0 | 112.7 | I152 Y153 I154 N159 K160 | I152-H156 WeakPolarHBondContact O-CB 3.45Å; I152-H156 PolarHBondContact O-N 3.19Å; Y153-H156 PolarHBondContact O-N 3.34Å; I154-H156 PolarHBondContact O-N 3.44Å; H156-N159 WeakPolarHBondContact O-CB 3.26Å; H156-N159 PolarHBondContact O-N 2.98Å; H156-K160 PolarHBondContact O-N 3.44Å |
| 157 | H | 72.4 | Confident | 78.9 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.5 | -172.8 | -82.2 | 0 | 0 | 0 | 111.5 | Y153 I154 L155 N159 K160 E161 | Y153-H157 WeakPolarHBondContact O-CB 3.47Å; Y153-H157 PolarHBondContact O-N 3.14Å; I154-H157 PolarHBondContact O-N 2.85Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.88Å; H157-N159 VanDerWaalsContact C-N 3.25Å; H157-N159 PolarHBondContact O-N 3.01Å; H157-K160 WeakPolarHBondContact O-CB 3.17Å; H157-K160 PolarHBondContact O-N 3.01Å; H157-K160 VanDerWaalsContact O-N 3.11Å; H157-E161 PolarHBondContact O-N 3.17Å; H157-E161 VanDerWaalsContact O-N 3.1Å |
| 158 | S | 71.3 | Confident | 78.6 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.1 | 76.4 | 0 | 0 | 0 | 0 | 111.6 | I154 L155 K160 E161 I162 | I154-S158 WeakPolarHBondContact O-CB 3.49Å; I154-S158 PolarHBondContact O-N 3.09Å; I154-S158 PolarHBondContact O-OG 3.14Å; L155-S158 PolarHBondContact O-N 2.83Å; L155-S158 PolarHBondContact O-OG 2.86Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 2.88Å; S158-E161 PolarHBondContact O-N 3.23Å; S158-I162 VanDerWaalsContact O-CG1 3.29Å; S158-I162 WeakPolarHBondContact O-CG1 3.38Å; S158-I162 PolarHBondContact O-N 3.35Å |
| 159 | N | 70.8 | Confident | 78.4 | Confident | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.1 | -78.4 | 1.5 | 0 | 0 | 0 | 111.6 | Y96 L155 H156 H157 I162 N163 | Y96-N159 HydrophobicContact CD2-CB 4.1Å; Y96-N159 WeakPolarHBondContact CD2-OD1 3.04Å; Y96-N159 VanDerWaalsContact CE2-CA 3.5Å; Y96-N159 HydrophobicContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CG 3.46Å; L155-N159 VanDerWaalsContact O-CB 3.31Å; L155-N159 WeakPolarHBondContact O-CB 3.31Å; L155-N159 PolarHBondContact O-N 2.86Å; L155-N159 PolarHBondContact O-OD1 2.94Å; H156-N159 WeakPolarHBondContact O-CB 3.26Å; H156-N159 PolarHBondContact O-N 2.98Å; H157-N159 VanDerWaalsContact C-N 3.25Å; H157-N159 PolarHBondContact O-N 3.01Å; N159-I162 PolarHBondContact O-N 3.3Å; N159-N163 WeakPolarHBondContact O-CB 3.34Å; N159-N163 PolarHBondContact O-N 2.88Å |
| 160 | K | 71 | Confident | 78.4 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 176.5 | -175 | -175.7 | 176.3 | -172.5 | 0 | 111.8 | H156 H157 S158 N163 I164 | H156-K160 PolarHBondContact O-N 3.44Å; H157-K160 WeakPolarHBondContact O-CB 3.17Å; H157-K160 PolarHBondContact O-N 3.01Å; H157-K160 VanDerWaalsContact O-N 3.11Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 2.88Å; K160-N163 PolarHBondContact O-N 3.36Å; K160-I164 HydrophobicContact CG-CD1 4.44Å; K160-I164 WeakPolarHBondContact O-CG1 3.41Å; K160-I164 PolarHBondContact O-N 3.06Å; K160-I164 VanDerWaalsContact O-N 3.15Å |
| 161 | E | 70.6 | Confident | 78.4 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 178 | -172.1 | 179.4 | 170.8 | 0 | 0 | 111.8 | H157 S158 N163 I164 N165 | H157-E161 PolarHBondContact O-N 3.17Å; H157-E161 VanDerWaalsContact O-N 3.1Å; S158-E161 PolarHBondContact O-N 3.23Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.27Å; E161-I164 PolarHBondContact O-N 3.29Å; E161-N165 PolarHBondContact O-N 2.88Å |
| 162 | I | 69.3 | Low | 78.5 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 177.5 | -62.4 | 166.9 | 0 | 0 | 0 | 110.8 | Y96 S158 N159 I164 N165 I166 | Y96-I162 HydrophobicContact CD1-CB 4.39Å; Y96-I162 HydrophobicContact CD1-CG2 3.7Å; Y96-I162 HydrophobicContact CD2-CB 4.11Å; Y96-I162 HydrophobicContact CD2-CD1 4.24Å; Y96-I162 HydrophobicContact CD2-CG2 4.18Å; Y96-I162 HydrophobicContact CE1-CG2 4.45Å; Y96-I162 HydrophobicContact CG-CB 3.96Å; Y96-I162 HydrophobicContact CG-CD1 4.28Å; Y96-I162 HydrophobicContact CG-CG2 3.51Å; S158-I162 VanDerWaalsContact O-CG1 3.29Å; S158-I162 WeakPolarHBondContact O-CG1 3.38Å; S158-I162 PolarHBondContact O-N 3.35Å; N159-I162 PolarHBondContact O-N 3.3Å; I162-I164 VanDerWaalsContact C-N 3.33Å; I162-I164 PolarHBondContact O-N 2.97Å; I162-N165 WeakPolarHBondContact O-CB 3.5Å; I162-N165 PolarHBondContact O-N 3.3Å; I162-N165 VanDerWaalsContact O-N 3.16Å; I162-I166 HydrophobicContact CG2-CD1 4.11Å; I162-I166 HydrophobicContact CG2-CG1 4.38Å; I162-I166 WeakPolarHBondContact O-CG1 3.36Å; I162-I166 PolarHBondContact O-N 3.26Å |
| 163 | N | 74.6 | Confident | 78.8 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -43 | 174.5 | -174.8 | 69.3 | 0 | 0 | 0 | 112.3 | N159 K160 E161 N165 I166 D167 K317 | N159-N163 WeakPolarHBondContact O-CB 3.34Å; N159-N163 PolarHBondContact O-N 2.88Å; K160-N163 PolarHBondContact O-N 3.36Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.27Å; N163-N165 VanDerWaalsContact C-N 3.33Å; N163-N165 PolarHBondContact O-N 3.48Å; N163-I166 PolarHBondContact O-N 2.97Å; N163-D167 PolarHBondContact ND2-OD2 2.91Å; N163-D167 PolarHBondContact O-N 3.28Å; N163-K317 PolarHBondContact ND2-NZ 2.99Å; N163-K317 PolarHBondContact OD1-NZ 2.71Å |
| 164 | I | 75.3 | Confident | 79.2 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 175 | -67.4 | 163.1 | 0 | 0 | 0 | 110.7 | K160 E161 I162 I166 D167 V168 L238 | K160-I164 HydrophobicContact CG-CD1 4.44Å; K160-I164 WeakPolarHBondContact O-CG1 3.41Å; K160-I164 PolarHBondContact O-N 3.06Å; K160-I164 VanDerWaalsContact O-N 3.15Å; E161-I164 PolarHBondContact O-N 3.29Å; I162-I164 VanDerWaalsContact C-N 3.33Å; I162-I164 PolarHBondContact O-N 2.97Å; I164-I166 VanDerWaalsContact C-N 3.33Å; I164-I166 PolarHBondContact O-N 3.45Å; I164-D167 PolarHBondContact O-N 2.87Å; I164-V168 HydrophobicContact CG2-CG2 4.33Å; I164-V168 WeakPolarHBondContact O-CB 3.27Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.42Å; I164-V168 PolarHBondContact O-N 2.97Å; I164-L238 HydrophobicContact CG2-CD2 3.77Å |
| 165 | N | 79.6 | Confident | 79.6 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 176.6 | 179.8 | 33.7 | 0 | 0 | 0 | 112.4 | E161 I162 N163 R169 | E161-N165 PolarHBondContact O-N 2.88Å; I162-N165 WeakPolarHBondContact O-CB 3.5Å; I162-N165 PolarHBondContact O-N 3.3Å; I162-N165 VanDerWaalsContact O-N 3.16Å; N163-N165 VanDerWaalsContact C-N 3.33Å; N163-N165 PolarHBondContact O-N 3.48Å; N165-R169 WeakPolarHBondContact O-CD 3.4Å; N165-R169 VanDerWaalsContact O-CG 3.24Å; N165-R169 WeakPolarHBondContact O-CG 3.43Å; N165-R169 PolarHBondContact O-N 2.97Å; N165-R169 PolarHBondContact OD1-NE 2.98Å |
| 166 | I | 80.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -50.4 | 171.9 | -66.3 | 164.1 | 0 | 0 | 0 | 109.8 | L88 V93 Y96 I162 N163 I164 V168 R169 L170 V186 | L88-I166 HydrophobicContact CD2-CG2 4.1Å; V93-I166 HydrophobicContact CB-CG1 4.43Å; V93-I166 HydrophobicContact CG1-CD1 3.76Å; V93-I166 HydrophobicContact CG1-CG1 3.83Å; V93-I166 HydrophobicContact CG2-CD1 4.42Å; V93-I166 HydrophobicContact CG2-CG1 3.8Å; Y96-I166 HydrophobicContact CD1-CD1 3.65Å; Y96-I166 HydrophobicContact CE1-CD1 3.75Å; I162-I166 HydrophobicContact CG2-CD1 4.11Å; I162-I166 HydrophobicContact CG2-CG1 4.38Å; I162-I166 WeakPolarHBondContact O-CG1 3.36Å; I162-I166 PolarHBondContact O-N 3.26Å; N163-I166 PolarHBondContact O-N 2.97Å; I164-I166 VanDerWaalsContact C-N 3.33Å; I164-I166 PolarHBondContact O-N 3.45Å; I166-V168 PolarHBondContact O-N 3.27Å; I166-R169 PolarHBondContact O-N 2.97Å; I166-R169 VanDerWaalsContact O-N 3.1Å; I166-L170 HydrophobicContact CG2-CD1 3.81Å; I166-L170 HydrophobicContact CG2-CG 4.23Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 3.39Å; I166-V186 HydrophobicContact CG2-CB 4.42Å; I166-V186 HydrophobicContact CG2-CG2 4.42Å |
| 167 | D | 83.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | 178.7 | -69.9 | -27.6 | 0 | 0 | 0 | 111.1 | N163 I164 L170 I171 A313 | N163-D167 PolarHBondContact ND2-OD2 2.91Å; N163-D167 PolarHBondContact O-N 3.28Å; I164-D167 PolarHBondContact O-N 2.87Å; D167-L170 PolarHBondContact O-N 2.93Å; D167-I171 WeakPolarHBondContact O-CG1 3.32Å; D167-I171 PolarHBondContact O-N 3.11Å; D167-A313 HydrophobicContact CB-CB 4.28Å |
| 168 | V | 82.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.8 | 164.1 | 0 | 0 | 0 | 0 | 112.5 | I164 I166 L170 I171 L238 L240 L292 | I164-V168 HydrophobicContact CG2-CG2 4.33Å; I164-V168 WeakPolarHBondContact O-CB 3.27Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.42Å; I164-V168 PolarHBondContact O-N 2.97Å; I166-V168 PolarHBondContact O-N 3.27Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-I171 HydrophobicContact CB-CD1 4.45Å; V168-I171 HydrophobicContact CG2-CD1 4.48Å; V168-I171 VanDerWaalsContact O-CB 3.28Å; V168-I171 WeakPolarHBondContact O-CB 3.44Å; V168-I171 WeakPolarHBondContact O-CG1 3.44Å; V168-I171 PolarHBondContact O-N 3.41Å; V168-L238 HydrophobicContact CG2-CD2 4.32Å; V168-L240 HydrophobicContact CG1-CB 3.73Å; V168-L240 HydrophobicContact CG1-CD1 3.45Å; V168-L240 VanDerWaalsContact CG1-CD1 3.45Å; V168-L240 HydrophobicContact CG1-CG 4.19Å; V168-L292 HydrophobicContact CB-CD1 4.24Å; V168-L292 HydrophobicContact CG1-CD1 3.78Å; V168-L292 HydrophobicContact CG2-CD1 3.64Å |
| 169 | R | 84.4 | Confident | 82.4 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -34.9 | 175.5 | -72.8 | 164.1 | 172.6 | -89.9 | -8.2 | 112.2 | A87 N165 I166 I171 Q172 | A87-R169 HydrophobicContact CB-CB 3.99Å; N165-R169 WeakPolarHBondContact O-CD 3.4Å; N165-R169 VanDerWaalsContact O-CG 3.24Å; N165-R169 WeakPolarHBondContact O-CG 3.43Å; N165-R169 PolarHBondContact O-N 2.97Å; N165-R169 PolarHBondContact OD1-NE 2.98Å; I166-R169 PolarHBondContact O-N 2.97Å; I166-R169 VanDerWaalsContact O-N 3.1Å; R169-I171 PolarHBondContact O-N 3.12Å; R169-Q172 PolarHBondContact O-N 3.03Å |
| 170 | L | 88.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -17 | 176.7 | -71.5 | 173.8 | 0 | 0 | 0 | 112.9 | L84 L88 I166 D167 V168 Q172 V173 N174 V184 V186 A313 | L84-L170 HydrophobicContact CD1-CD2 4.04Å; L88-L170 HydrophobicContact CD2-CD2 4.49Å; I166-L170 HydrophobicContact CG2-CD1 3.81Å; I166-L170 HydrophobicContact CG2-CG 4.23Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 3.39Å; D167-L170 PolarHBondContact O-N 2.93Å; V168-L170 VanDerWaalsContact C-N 3.34Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.47Å; L170-V173 HydrophobicContact CD2-CB 4.39Å; L170-V173 HydrophobicContact CD2-CG2 4.09Å; L170-V173 WeakPolarHBondContact O-CB 3.42Å; L170-V173 PolarHBondContact O-N 2.88Å; L170-N174 WeakPolarHBondContact O-CB 3.4Å; L170-N174 PolarHBondContact O-N 3.4Å; L170-V184 HydrophobicContact CD2-CG1 4.34Å; L170-V186 HydrophobicContact CD1-CB 4.47Å; L170-V186 HydrophobicContact CD1-CG2 4.04Å; L170-A313 HydrophobicContact CB-CB 3.64Å; L170-A313 HydrophobicContact CD1-CB 3.96Å; L170-A313 HydrophobicContact CG-CB 4.48Å |
| 171 | I | 88.5 | Confident | 84.2 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.8 | -47 | 170.9 | -60 | 172 | 0 | 0 | 0 | 110.2 | D167 V168 R169 V173 N174 E175 L292 M309 T310 | D167-I171 WeakPolarHBondContact O-CG1 3.32Å; D167-I171 PolarHBondContact O-N 3.11Å; V168-I171 HydrophobicContact CB-CD1 4.45Å; V168-I171 HydrophobicContact CG2-CD1 4.48Å; V168-I171 VanDerWaalsContact O-CB 3.28Å; V168-I171 WeakPolarHBondContact O-CB 3.44Å; V168-I171 WeakPolarHBondContact O-CG1 3.44Å; V168-I171 PolarHBondContact O-N 3.41Å; R169-I171 PolarHBondContact O-N 3.12Å; I171-V173 VanDerWaalsContact C-N 3.31Å; I171-V173 PolarHBondContact O-N 3.26Å; I171-N174 PolarHBondContact O-N 2.88Å; I171-E175 WeakPolarHBondContact O-CG 3.45Å; I171-E175 PolarHBondContact O-N 3.47Å; I171-L292 HydrophobicContact CD1-CD1 3.54Å; I171-L292 HydrophobicContact CD1-CD2 4.14Å; I171-L292 HydrophobicContact CD1-CG 4.46Å; I171-M309 HydrophobicContact CG2-CB 4Å; I171-T310 HydrophobicContact CD1-CG2 4.08Å |
| 172 | Q | 86.9 | Confident | 85.2 | Confident | 100 Ų | 100 | 38.4 Ų | 38.4 | 47% | 0.467 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.7 | -35.4 | -179.4 | -170.9 | -178.8 | 27.1 | 0 | 0 | 112.3 | R169 L170 | R169-Q172 PolarHBondContact O-N 3.03Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.47Å |
| 173 | V | 88.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -47.8 | 174.2 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | P83 L84 A87 L170 I171 E175 R176 M177 V184 | P83-V173 HydrophobicContact CB-CG2 4.09Å; L84-V173 HydrophobicContact CD1-CG1 4.39Å; A87-V173 HydrophobicContact CB-CG2 3.93Å; L170-V173 HydrophobicContact CD2-CB 4.39Å; L170-V173 HydrophobicContact CD2-CG2 4.09Å; L170-V173 WeakPolarHBondContact O-CB 3.42Å; L170-V173 PolarHBondContact O-N 2.88Å; I171-V173 VanDerWaalsContact C-N 3.31Å; I171-V173 PolarHBondContact O-N 3.26Å; V173-E175 PolarHBondContact O-N 3.47Å; V173-R176 PolarHBondContact O-N 2.92Å; V173-R176 VanDerWaalsContact O-N 3.11Å; V173-M177 HydrophobicContact CG1-CG 4.03Å; V173-M177 VanDerWaalsContact O-CG 3.31Å; V173-M177 WeakPolarHBondContact O-CG 3.39Å; V173-M177 PolarHBondContact O-N 2.85Å; V173-V184 HydrophobicContact CG1-CB 4.39Å; V173-V184 HydrophobicContact CG1-CG2 4.17Å |
| 174 | N | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | -178.6 | -73.1 | -15.9 | 0 | 0 | 0 | 111.9 | L170 I171 R176 M177 M178 V184 S312 | L170-N174 WeakPolarHBondContact O-CB 3.4Å; L170-N174 PolarHBondContact O-N 3.4Å; I171-N174 PolarHBondContact O-N 2.88Å; N174-R176 PolarHBondContact O-N 3.43Å; N174-M177 PolarHBondContact O-N 3.39Å; N174-M178 VanDerWaalsContact O-CB 3.29Å; N174-M178 WeakPolarHBondContact O-CB 3.3Å; N174-M178 WeakPolarHBondContact O-CG 3.24Å; N174-M178 PolarHBondContact O-N 3.24Å; N174-V184 PolarHBondContact ND2-O 3.02Å; N174-V184 WeakPolarHBondContact OD1-CA 3.26Å; N174-V184 VanDerWaalsContact OD1-CB 3.25Å; N174-V184 WeakPolarHBondContact OD1-CB 3.49Å; N174-V184 PolarHBondContact OD1-N 2.73Å; N174-V184 PolarHBondContact OD1-O 2.95Å; N174-S312 PolarHBondContact ND2-OG 3.5Å |
| 175 | E | 89.7 | Confident | 87.9 | Confident | 91 Ų | 91 | 33.5 Ų | 33.5 | 43% | 0.425 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -55.2 | -35.9 | 173 | -78.4 | 178.9 | 170.1 | 0 | 0 | 113.2 | I171 V173 M309 | I171-E175 WeakPolarHBondContact O-CG 3.45Å; I171-E175 PolarHBondContact O-N 3.47Å; V173-E175 PolarHBondContact O-N 3.47Å; E175-M309 HydrophobicContact CG-CB 4.36Å; E175-M309 HydrophobicContact CG-CG 3.91Å; E175-M309 HydrophobicContact CG-SD 4.15Å |
| 176 | R | 88.1 | Confident | 88.3 | Confident | 83 Ų | 83 | 32 Ų | 32 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -80 | -43.1 | 175.8 | -60.5 | -174.7 | -171.3 | -176.9 | 4.3 | 111.8 | R78 D79 V173 N174 M178 K179 | R78-R176 PolarHBondContact O-NH1 3.19Å; D79-R176 HydrophobicContact CB-CB 4.41Å; V173-R176 PolarHBondContact O-N 2.92Å; V173-R176 VanDerWaalsContact O-N 3.11Å; N174-R176 PolarHBondContact O-N 3.43Å; R176-M178 VanDerWaalsContact C-N 3.31Å; R176-M178 PolarHBondContact O-N 2.99Å; R176-K179 WeakPolarHBondContact O-CB 3.31Å; R176-K179 PolarHBondContact O-N 3.22Å |
| 177 | M | 87.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71 | -24.4 | -177.3 | -65.8 | -75.5 | 77.4 | 0 | 0 | 114.1 | I75 D79 L80 V173 N174 K179 H180 K181 L182 V184 | I75-M177 HydrophobicContact CG2-CE 3.54Å; I75-M177 HydrophobicContact CG2-SD 4.45Å; D79-M177 HydrophobicContact CB-CE 3.7Å; D79-M177 VanDerWaalsContact O-CE 3.25Å; D79-M177 WeakPolarHBondContact O-CE 3.47Å; L80-M177 HydrophobicContact CB-CE 4.06Å; L80-M177 HydrophobicContact CB-SD 3.93Å; L80-M177 HydrophobicContact CD1-SD 3.47Å; L80-M177 WeakPolarHBondContact CD1-SD 3.31Å; L80-M177 HydrophobicContact CG-SD 4.27Å; V173-M177 HydrophobicContact CG1-CG 4.03Å; V173-M177 VanDerWaalsContact O-CG 3.31Å; V173-M177 WeakPolarHBondContact O-CG 3.39Å; V173-M177 PolarHBondContact O-N 2.85Å; N174-M177 PolarHBondContact O-N 3.39Å; M177-K179 PolarHBondContact O-N 3.46Å; M177-H180 CarbonylContact O-C 3.58Å; M177-H180 WeakPolarHBondContact O-CA 3.34Å; M177-H180 WeakPolarHBondContact O-CB 3.22Å; M177-H180 PolarHBondContact O-N 3.24Å; M177-K181 PolarHBondContact O-N 3.48Å; M177-L182 CarbonylContact C-O 3.43Å; M177-L182 VanDerWaalsContact C-O 3.23Å; M177-L182 HydrophobicContact CB-CB 4.37Å; M177-L182 WeakPolarHBondContact CB-O 3.39Å; M177-L182 PolarHBondContact O-N 3.41Å; M177-V184 HydrophobicContact CB-CG2 4.34Å; M177-V184 HydrophobicContact CG-CG2 3.93Å |
| 178 | M | 88.8 | Confident | 88.1 | Confident | 20 Ų | 20 | 32.9 Ų | 32.9 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -64.5 | -25.6 | 176.8 | -78.4 | -58.1 | -36.5 | 0 | 0 | 113.3 | N174 R176 H180 K181 L182 M183 W204 M206 M309 | N174-M178 VanDerWaalsContact O-CB 3.29Å; N174-M178 WeakPolarHBondContact O-CB 3.3Å; N174-M178 WeakPolarHBondContact O-CG 3.24Å; N174-M178 PolarHBondContact O-N 3.24Å; R176-M178 VanDerWaalsContact C-N 3.31Å; R176-M178 PolarHBondContact O-N 2.99Å; M178-H180 PolarHBondContact O-N 2.96Å; M178-K181 PolarHBondContact O-N 2.78Å; M178-L182 PolarHBondContact N-O 3.08Å; M178-M183 HydrophobicContact SD-CG 3.46Å; M178-M183 WeakPolarHBondContact SD-CG 3.46Å; M178-M183 HydrophobicContact SD-SD 4.26Å; M178-W204 WeakPolarHBondContact CE-O 3.41Å; M178-M206 HydrophobicContact CE-CB 3.57Å; M178-M206 HydrophobicContact CE-CG 4.42Å; M178-M206 HydrophobicContact SD-CE 4.35Å; M178-M309 HydrophobicContact CB-CE 4.47Å; M178-M309 HydrophobicContact CG-CE 3.7Å; M178-M309 HydrophobicContact CG-SD 3.77Å; M178-M309 HydrophobicContact SD-CE 4.43Å |
| 179 | K | 88.5 | Confident | 87.3 | Confident | 157 Ų | 157 | 37.3 Ų | 37.3 | 68% | 0.683 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | -59.5 | -29 | 171 | -62.3 | 178.7 | -176.3 | 174.8 | 0 | 112.1 | R176 M177 | R176-K179 WeakPolarHBondContact O-CB 3.31Å; R176-K179 PolarHBondContact O-N 3.22Å; M177-K179 PolarHBondContact O-N 3.46Å |
| 180 | H | 88.8 | Confident | 86 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 22% | 0.222 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -99.7 | 11.7 | 179.6 | -56.3 | -75.9 | 0 | 0 | 0 | 112.4 | I75 D79 M177 M178 L182 | I75-H180 HydrophobicContact CD1-CB 4.15Å; I75-H180 HydrophobicContact CG1-CB 4.18Å; D79-H180 IonicContact OD2-NE2 2.84Å; D79-H180 PolarHBondContact OD2-NE2 3.12Å; D79-H180 VanDerWaalsContact OD2-NE2 3.1Å; M177-H180 CarbonylContact O-C 3.58Å; M177-H180 WeakPolarHBondContact O-CA 3.34Å; M177-H180 WeakPolarHBondContact O-CB 3.22Å; M177-H180 PolarHBondContact O-N 3.24Å; M178-H180 PolarHBondContact O-N 2.96Å; H180-L182 VanDerWaalsContact C-N 3.26Å; H180-L182 PolarHBondContact O-N 3.4Å |
| 181 | K | 90.8 | Very high | 84.2 | Confident | 86 Ų | 86 | 44.3 Ų | 44.3 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 34.3 | -176.8 | -53.1 | -170.9 | -179.5 | -161.7 | 0 | 113.9 | M177 M178 Y203 W204 D205 | M177-K181 PolarHBondContact O-N 3.48Å; M178-K181 PolarHBondContact O-N 2.78Å; K181-Y203 HydrophobicContact CB-CD2 4.07Å; K181-Y203 HydrophobicContact CB-CE2 3.6Å; K181-Y203 HydrophobicContact CD-CE2 3.91Å; K181-Y203 WeakPolarHBondContact CD-OH 3.4Å; K181-Y203 HydrophobicContact CG-CE2 4.42Å; K181-Y203 WeakPolarHBondContact O-CA 3.29Å; K181-Y203 WeakPolarHBondContact O-CD2 3.43Å; K181-W204 CarbonylContact C-O 3.44Å; K181-W204 WeakPolarHBondContact CA-O 3.22Å; K181-W204 PolarHBondContact O-N 2.92Å; K181-D205 HydrophobicContact CD-CB 4.49Å; K181-D205 IonicContact NZ-OD2 2.75Å; K181-D205 PolarHBondContact NZ-OD2 3.34Å |
| 182 | L | 91.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.6 | 177.8 | -68.8 | 170.8 | 0 | 0 | 0 | 111.1 | V45 L67 F72 I75 M177 M178 H180 V202 | V45-L182 HydrophobicContact CB-CD2 4.39Å; V45-L182 HydrophobicContact CG2-CD2 3.91Å; L67-L182 HydrophobicContact CD2-CD1 4.04Å; F72-L182 HydrophobicContact CD1-CD1 3.94Å; F72-L182 HydrophobicContact CD1-CG 4.33Å; F72-L182 HydrophobicContact CE1-CD1 4.14Å; F72-L182 HydrophobicContact CE1-CD2 4.02Å; F72-L182 HydrophobicContact CE1-CG 4.02Å; F72-L182 HydrophobicContact CE2-CD2 4.36Å; F72-L182 HydrophobicContact CG-CD1 4.31Å; F72-L182 HydrophobicContact CZ-CD2 3.91Å; F72-L182 HydrophobicContact CZ-CG 4.43Å; I75-L182 HydrophobicContact CD1-CD1 3.45Å; I75-L182 VanDerWaalsContact CD1-CD1 3.45Å; M177-L182 CarbonylContact C-O 3.43Å; M177-L182 VanDerWaalsContact C-O 3.23Å; M177-L182 HydrophobicContact CB-CB 4.37Å; M177-L182 WeakPolarHBondContact CB-O 3.39Å; M177-L182 PolarHBondContact O-N 3.41Å; M178-L182 PolarHBondContact N-O 3.08Å; H180-L182 VanDerWaalsContact C-N 3.26Å; H180-L182 PolarHBondContact O-N 3.4Å; L182-V202 WeakPolarHBondContact CA-O 3.29Å |
| 183 | M | 93.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.2 | 168.4 | -67.7 | -170 | -49.1 | 0 | 0 | 110.1 | M178 L201 V202 W204 M206 Y315 V316 L346 | M178-M183 HydrophobicContact SD-CG 3.46Å; M178-M183 WeakPolarHBondContact SD-CG 3.46Å; M178-M183 HydrophobicContact SD-SD 4.26Å; M183-L201 WeakPolarHBondContact O-CA 3.4Å; M183-V202 PolarHBondContact N-O 3.33Å; M183-V202 PolarHBondContact O-N 3.47Å; M183-W204 HydrophobicContact CE-CB 3.6Å; M183-W204 HydrophobicContact CE-CD2 3.31Å; M183-W204 HydrophobicContact CE-CE3 3.49Å; M183-W204 VanDerWaalsContact CE-CE3 3.49Å; M183-W204 HydrophobicContact CE-CG 3.36Å; M183-W204 HydrophobicContact CE-CZ3 4.28Å; M183-W204 HydrophobicContact CG-CB 3.82Å; M183-W204 HydrophobicContact CG-CG 4.28Å; M183-W204 HydrophobicContact SD-CB 3.94Å; M183-W204 HydrophobicContact SD-CD2 4.2Å; M183-W204 HydrophobicContact SD-CG 3.74Å; M183-M206 HydrophobicContact SD-CE 4.25Å; M183-Y315 HydrophobicContact CE-CD1 4.24Å; M183-V316 HydrophobicContact CB-CG2 3.69Å; M183-V316 HydrophobicContact CE-CG2 3.91Å; M183-L346 HydrophobicContact SD-CD2 4.14Å |
| 184 | V | 92.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137 | -179.5 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | L84 L170 V173 N174 M177 L199 Y200 L201 | L84-V184 HydrophobicContact CD1-CG1 4.26Å; L170-V184 HydrophobicContact CD2-CG1 4.34Å; V173-V184 HydrophobicContact CG1-CB 4.39Å; V173-V184 HydrophobicContact CG1-CG2 4.17Å; N174-V184 PolarHBondContact ND2-O 3.02Å; N174-V184 WeakPolarHBondContact OD1-CA 3.26Å; N174-V184 VanDerWaalsContact OD1-CB 3.25Å; N174-V184 WeakPolarHBondContact OD1-CB 3.49Å; N174-V184 PolarHBondContact OD1-N 2.73Å; N174-V184 PolarHBondContact OD1-O 2.95Å; M177-V184 HydrophobicContact CB-CG2 4.34Å; M177-V184 HydrophobicContact CG-CG2 3.93Å; V184-L199 HydrophobicContact CG1-CD1 3.46Å; V184-L199 VanDerWaalsContact CG1-CD1 3.46Å; V184-L199 HydrophobicContact CG1-CG 4.27Å; V184-Y200 WeakPolarHBondContact CA-O 3.28Å; V184-L201 HydrophobicContact CG2-CG 4.28Å |
| 185 | G | 90.3 | Very high | 77.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y200 | G185-Y200 PolarHBondContact N-O 3.29Å; G185-Y200 PolarHBondContact O-N 3.12Å |
| 186 | V | 87.8 | Confident | 76.3 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.7 | 173 | 177 | 0 | 0 | 0 | 0 | 108 | F58 L88 I166 L170 M197 Q198 L199 K317 | F58-V186 HydrophobicContact CZ-CG1 4.22Å; L88-V186 HydrophobicContact CD1-CG2 4.49Å; L88-V186 HydrophobicContact CD2-CG2 4.19Å; I166-V186 HydrophobicContact CG2-CB 4.42Å; I166-V186 HydrophobicContact CG2-CG2 4.42Å; L170-V186 HydrophobicContact CD1-CB 4.47Å; L170-V186 HydrophobicContact CD1-CG2 4.04Å; V186-M197 HydrophobicContact CG1-CB 4.36Å; V186-M197 HydrophobicContact CG1-SD 4.19Å; V186-Q198 WeakPolarHBondContact CA-O 3.39Å; V186-L199 HydrophobicContact CG2-CD1 3.79Å; V186-K317 WeakPolarHBondContact O-CD 3.24Å |
| 187 | A | 83.3 | Confident | 75.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q198 Y200 K317 | A187-Q198 PolarHBondContact N-O 3.34Å; A187-Q198 PolarHBondContact O-N 3.42Å; A187-Y200 HydrophobicContact CB-CD2 3.93Å; A187-Y200 HydrophobicContact CB-CE2 3.61Å; A187-K317 HydrophobicContact CB-CB 4.35Å; A187-K317 HydrophobicContact CB-CG 3.86Å |
| 188 | D | 77.2 | Confident | 75.9 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.193 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 119 | 174.2 | -53.3 | -59.3 | 0 | 0 | 0 | 108.1 | N100 M197 K317 | N100-D188 VanDerWaalsContact ND2-CG 3.27Å; N100-D188 PolarHBondContact ND2-OD1 3.41Å; D188-M197 WeakPolarHBondContact OD1-CE 3.27Å; D188-M197 VanDerWaalsContact OD1-CG 3.26Å; D188-M197 WeakPolarHBondContact OD1-CG 3Å; D188-K317 IonicContact OD2-NZ 3.66Å; D188-K317 PolarHBondContact OD2-NZ 3.37Å |
| 189 | W | 65.3 | Low | 76 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 37% | 0.367 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134 | 171 | -173.4 | -96 | 0 | 0 | 0 | 109.6 | H196 | W189-H196 PolarHBondContact N-O 2.82Å; W189-H196 PolarHBondContact O-N 3.22Å; W189-H196 VanDerWaalsContact O-O 3.09Å |
| 190 | V | 57 | Low | 76.1 | Confident | 98 Ų | 98 | 43.9 Ų | 43.9 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.9 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 191 | Q | 51.1 | Low | 76.2 | Confident | 99 Ų | 99 | 41.6 Ų | 41.6 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.6 | 172.4 | -164.7 | 81.5 | 22.1 | 0 | 0 | 108 | C193 A194 | Q191-C193 VanDerWaalsContact C-N 3.3Å; Q191-C193 PolarHBondContact O-N 3.46Å; Q191-A194 PolarHBondContact N-O 3.26Å; Q191-A194 VanDerWaalsContact N-O 3.11Å; Q191-A194 WeakPolarHBondContact O-CB 3.37Å; Q191-A194 PolarHBondContact O-N 3.44Å; Q191-A194 VanDerWaalsContact O-O 3.12Å |
| 192 | N | 45.8 | Very low | 76.3 | Confident | 150 Ų | 150 | 37.5 Ų | 37.5 | 80% | 0.802 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.7 | 176.5 | -60.6 | -12.4 | 0 | 0 | 0 | 114.3 | A194 | N192-A194 PolarHBondContact O-N 2.93Š|
| 193 | C | 48.3 | Very low | 76.3 | Confident | 105 Ų | 105 | 38.1 Ų | 38.1 | 71% | 0.709 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 6.1 | -176.1 | -56.1 | 0 | 0 | 0 | 0 | 115.1 | G102 Q191 | G102-C193 CarbonylContact C-O 3.59Å; G102-C193 WeakPolarHBondContact CA-O 3.23Å; Q191-C193 VanDerWaalsContact C-N 3.3Å; Q191-C193 PolarHBondContact O-N 3.46Å |
| 194 | A | 55.1 | Low | 76.3 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q191 N192 H196 | Q191-A194 PolarHBondContact N-O 3.26Å; Q191-A194 VanDerWaalsContact N-O 3.11Å; Q191-A194 WeakPolarHBondContact O-CB 3.37Å; Q191-A194 PolarHBondContact O-N 3.44Å; Q191-A194 VanDerWaalsContact O-O 3.12Å; N192-A194 PolarHBondContact O-N 2.93Å; A194-H196 PolarHBondContact O-CD2 2.68Å; A194-H196 PolarHBondContact O-N 3.48Å |
| 195 | G | 62.6 | Low | 76.2 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 117.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | G102 | G102-G195 VanDerWaalsContact N-N 3.18Å |
| 196 | H | 68.9 | Low | 76.1 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 39% | 0.389 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.5 | 173 | -70 | -82.4 | 0 | 0 | 0 | 109.2 | W189 A194 | W189-H196 PolarHBondContact N-O 2.82Å; W189-H196 PolarHBondContact O-N 3.22Å; W189-H196 VanDerWaalsContact O-O 3.09Å; A194-H196 PolarHBondContact O-CD2 2.68Å; A194-H196 PolarHBondContact O-N 3.48Å |
| 197 | M | 79.1 | Confident | 76.2 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 140.1 | 170.3 | -64.1 | -159.3 | -174.8 | 0 | 0 | 110.1 | T50 F58 Y96 M97 N100 V186 D188 | T50-M197 HydrophobicContact CG2-CB 4.02Å; T50-M197 PolarHBondContact N-O 2.97Å; F58-M197 HydrophobicContact CZ-CB 4.19Å; Y96-M197 HydrophobicContact CD1-CE 3.62Å; Y96-M197 HydrophobicContact CE1-CE 3.17Å; Y96-M197 HydrophobicContact CE1-SD 4.2Å; Y96-M197 HydrophobicContact CE2-CE 4.44Å; Y96-M197 HydrophobicContact CG-CE 4.48Å; M97-M197 HydrophobicContact CB-CE 4.43Å; M97-M197 HydrophobicContact CB-SD 4.22Å; M97-M197 HydrophobicContact CG-CE 4.14Å; M97-M197 HydrophobicContact CG-SD 3.53Å; M97-M197 VanDerWaalsContact CG-SD 3.53Å; M97-M197 HydrophobicContact SD-SD 4.31Å; N100-M197 HydrophobicContact CB-CE 3.6Å; N100-M197 VanDerWaalsContact ND2-CE 3.27Å; N100-M197 WeakPolarHBondContact ND2-CE 3.17Å; V186-M197 HydrophobicContact CG1-CB 4.36Å; V186-M197 HydrophobicContact CG1-SD 4.19Å; D188-M197 WeakPolarHBondContact OD1-CE 3.27Å; D188-M197 VanDerWaalsContact OD1-CG 3.26Å; D188-M197 WeakPolarHBondContact OD1-CG 3Å |
| 198 | Q | 87.1 | Confident | 76.5 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.4 | 173.2 | -64.6 | -169 | -0.4 | 0 | 0 | 109.9 | I48 P49 V186 A187 Y200 | I48-Q198 WeakPolarHBondContact O-CA 3.5Å; P49-Q198 HydrophobicContact CB-CG 4.47Å; V186-Q198 WeakPolarHBondContact CA-O 3.39Å; A187-Q198 PolarHBondContact N-O 3.34Å; A187-Q198 PolarHBondContact O-N 3.42Å; Q198-Y200 HydrophobicContact CB-CD2 4.25Å; Q198-Y200 HydrophobicContact CB-CE1 4.4Å; Q198-Y200 HydrophobicContact CB-CE2 3.53Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.33Å; Q198-Y200 PolarHBondContact OE1-OH 3.19Å |
| 199 | L | 90.7 | Very high | 77.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125 | 168.6 | 179.5 | 74.6 | 0 | 0 | 0 | 108.1 | A47 I48 F58 L84 L88 V184 V186 L201 | A47-L199 CarbonylContact C-O 3.57Å; A47-L199 WeakPolarHBondContact CA-O 3.44Å; I48-L199 HydrophobicContact CB-CB 4.3Å; I48-L199 PolarHBondContact N-O 2.69Å; I48-L199 PolarHBondContact O-N 3.27Å; F58-L199 HydrophobicContact CD1-CB 3.65Å; F58-L199 HydrophobicContact CE1-CB 3.77Å; F58-L199 HydrophobicContact CG-CB 4.08Å; F58-L199 HydrophobicContact CZ-CB 4.28Å; L84-L199 HydrophobicContact CD1-CD1 4.06Å; L84-L199 HydrophobicContact CD1-CD2 4.49Å; L84-L199 HydrophobicContact CD2-CD2 3.58Å; L88-L199 HydrophobicContact CD1-CD1 4.31Å; V184-L199 HydrophobicContact CG1-CD1 3.46Å; V184-L199 VanDerWaalsContact CG1-CD1 3.46Å; V184-L199 HydrophobicContact CG1-CG 4.27Å; V186-L199 HydrophobicContact CG2-CD1 3.79Å; L199-L201 HydrophobicContact CD2-CD1 4.11Å; L199-L201 HydrophobicContact CG-CD1 4.1Å |
| 200 | Y | 91.2 | Very high | 78.3 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 7% | 0.071 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.8 | 179.4 | -65.8 | -82.3 | 0 | 0 | 0 | 110.9 | A46 A47 V184 G185 A187 Q198 M320 | A46-Y200 WeakPolarHBondContact O-CA 3.46Å; A47-Y200 HydrophobicContact CB-CD1 3.79Å; A47-Y200 HydrophobicContact CB-CE1 3.7Å; V184-Y200 WeakPolarHBondContact CA-O 3.28Å; G185-Y200 PolarHBondContact N-O 3.29Å; G185-Y200 PolarHBondContact O-N 3.12Å; A187-Y200 HydrophobicContact CB-CD2 3.93Å; A187-Y200 HydrophobicContact CB-CE2 3.61Å; Q198-Y200 HydrophobicContact CB-CD2 4.25Å; Q198-Y200 HydrophobicContact CB-CE1 4.4Å; Q198-Y200 HydrophobicContact CB-CE2 3.53Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.33Å; Q198-Y200 PolarHBondContact OE1-OH 3.19Å; Y200-M320 HydrophobicContact CD1-CB 4.16Å; Y200-M320 HydrophobicContact CD1-CG 3.7Å; Y200-M320 HydrophobicContact CD1-SD 3.58Å; Y200-M320 VanDerWaalsContact CD1-SD 3.58Å; Y200-M320 HydrophobicContact CD2-CB 3.9Å; Y200-M320 HydrophobicContact CD2-CG 3.87Å; Y200-M320 HydrophobicContact CE1-CB 4.17Å; Y200-M320 HydrophobicContact CE1-CG 4.19Å; Y200-M320 HydrophobicContact CE1-SD 4.05Å; Y200-M320 HydrophobicContact CE2-CB 3.9Å; Y200-M320 HydrophobicContact CE2-CG 4.33Å; Y200-M320 HydrophobicContact CG-CB 4.01Å; Y200-M320 HydrophobicContact CG-CG 3.51Å; Y200-M320 HydrophobicContact CG-SD 3.99Å |
| 201 | L | 91.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.3 | 171.3 | -68.2 | 86.1 | 0 | 0 | 0 | 107.8 | V45 A46 C63 L67 L80 M183 V184 L199 | V45-L201 PolarHBondContact N-O 3.09Å; A46-L201 HydrophobicContact CB-CB 4.28Å; A46-L201 HydrophobicContact CB-CD1 4.25Å; A46-L201 PolarHBondContact N-O 2.82Å; A46-L201 PolarHBondContact O-N 3.19Å; C63-L201 VanDerWaalsContact SG-CD1 3.54Å; L67-L201 HydrophobicContact CD1-CD2 3.66Å; L67-L201 HydrophobicContact CD2-CD2 3.88Å; L67-L201 HydrophobicContact CG-CD2 4.11Å; L80-L201 HydrophobicContact CD1-CD2 4.17Å; M183-L201 WeakPolarHBondContact O-CA 3.4Å; V184-L201 HydrophobicContact CG2-CG 4.28Å; L199-L201 HydrophobicContact CD2-CD1 4.11Å; L199-L201 HydrophobicContact CG-CD1 4.1Å |
| 202 | V | 92.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.9 | -172 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | Q43 L182 M183 W204 V316 L319 M320 | Q43-V202 WeakPolarHBondContact O-CA 3.49Å; Q43-V202 WeakPolarHBondContact O-CG1 3.46Å; L182-V202 WeakPolarHBondContact CA-O 3.29Å; M183-V202 PolarHBondContact N-O 3.33Å; M183-V202 PolarHBondContact O-N 3.47Å; V202-W204 PolarHBondContact O-N 2.78Å; V202-V316 HydrophobicContact CB-CG2 4.37Å; V202-V316 HydrophobicContact CG2-CG1 3.77Å; V202-V316 HydrophobicContact CG2-CG2 4.25Å; V202-L319 HydrophobicContact CG1-CD2 4.05Å; V202-M320 HydrophobicContact CG2-CE 3.51Å; V202-M320 HydrophobicContact CG2-SD 4.24Å |
| 203 | Y | 92.3 | Very high | 83.8 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.5 | 173.3 | 178.5 | -95.2 | 0 | 0 | 0 | 110.6 | W39 N41 G42 Q43 F72 K181 | W39-Y203 HydrophobicContact CB-CD1 3.34Å; W39-Y203 HydrophobicContact CB-CD2 3.59Å; W39-Y203 HydrophobicContact CB-CE1 3.62Å; W39-Y203 HydrophobicContact CB-CE2 3.84Å; W39-Y203 HydrophobicContact CB-CG 3.29Å; W39-Y203 HydrophobicContact CG-CD1 4.47Å; W39-Y203 HydrophobicContact CG-CD2 4Å; W39-Y203 HydrophobicContact CG-CE2 4.42Å; W39-Y203 AromaticContact CG-CG 4Å; W39-Y203 HydrophobicContact CG-CG 4Å; W39-Y203 WeakPolarHBondContact O-CE1 3.39Å; N41-Y203 WeakPolarHBondContact CA-O 3.33Å; G42-Y203 PolarHBondContact N-O 3.49Å; Q43-Y203 PolarHBondContact O-N 3.16Å; F72-Y203 HydrophobicContact CE1-CD2 4.46Å; F72-Y203 HydrophobicContact CZ-CD2 4Å; K181-Y203 HydrophobicContact CB-CD2 4.07Å; K181-Y203 HydrophobicContact CB-CE2 3.6Å; K181-Y203 HydrophobicContact CD-CE2 3.91Å; K181-Y203 WeakPolarHBondContact CD-OH 3.4Å; K181-Y203 HydrophobicContact CG-CE2 4.42Å; K181-Y203 WeakPolarHBondContact O-CA 3.29Å; K181-Y203 WeakPolarHBondContact O-CD2 3.43Å |
| 204 | W | 92.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -152.4 | 115.5 | -180 | -157.7 | -90.7 | 0 | 0 | 0 | 113.2 | N41 M178 K181 M183 V202 Y315 C339 L346 | N41-W204 HydrophobicContact CB-CD2 4.25Å; N41-W204 HydrophobicContact CB-CE3 3.97Å; N41-W204 HydrophobicContact CB-CZ3 4.15Å; M178-W204 WeakPolarHBondContact CE-O 3.41Å; K181-W204 CarbonylContact C-O 3.44Å; K181-W204 WeakPolarHBondContact CA-O 3.22Å; K181-W204 PolarHBondContact O-N 2.92Å; M183-W204 HydrophobicContact CE-CB 3.6Å; M183-W204 HydrophobicContact CE-CD2 3.31Å; M183-W204 HydrophobicContact CE-CE3 3.49Å; M183-W204 VanDerWaalsContact CE-CE3 3.49Å; M183-W204 HydrophobicContact CE-CG 3.36Å; M183-W204 HydrophobicContact CE-CZ3 4.28Å; M183-W204 HydrophobicContact CG-CB 3.82Å; M183-W204 HydrophobicContact CG-CG 4.28Å; M183-W204 HydrophobicContact SD-CB 3.94Å; M183-W204 HydrophobicContact SD-CD2 4.2Å; M183-W204 HydrophobicContact SD-CG 3.74Å; V202-W204 PolarHBondContact O-N 2.78Å; W204-Y315 HydrophobicContact CE3-CE1 4.46Å; W204-Y315 HydrophobicContact CH2-CD1 4.49Å; W204-Y315 AromaticContact CH2-CE1 3.46Å; W204-Y315 HydrophobicContact CH2-CE1 3.46Å; W204-Y315 VanDerWaalsContact CH2-CE1 3.46Å; W204-Y315 AromaticContact CH2-CZ 3.81Å; W204-Y315 HydrophobicContact CZ2-CE1 4.22Å; W204-Y315 AromaticContact CZ3-CE1 3.61Å; W204-Y315 HydrophobicContact CZ3-CE1 3.61Å; W204-C339 HydrophobicContact CH2-CB 3.82Å; W204-C339 HydrophobicContact CZ3-CB 4.17Å; W204-L346 HydrophobicContact CH2-CB 4.17Å; W204-L346 HydrophobicContact CZ2-CB 3.55Å | ||
| 205 | D | 90.9 | Very high | 87.4 | Confident | 37 Ų | 37 | 31.8 Ų | 31.8 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | trans | -88 | 110.2 | 164.1 | -163 | -36.7 | 0 | 0 | 0 | 110.1 | N41 K181 S207 | N41-D205 PolarHBondContact ND2-O 3.02Å; N41-D205 PolarHBondContact OD1-N 2.92Å; K181-D205 HydrophobicContact CD-CB 4.49Å; K181-D205 IonicContact NZ-OD2 2.75Å; K181-D205 PolarHBondContact NZ-OD2 3.34Å; D205-S207 VanDerWaalsContact C-N 3.32Å; D205-S207 PolarHBondContact O-N 2.9Å; D205-S207 VanDerWaalsContact OD1-CB 3.26Å; D205-S207 WeakPolarHBondContact OD1-CB 3.25Å; D205-S207 PolarHBondContact OD1-N 2.66Å; D205-S207 PolarHBondContact OD1-OG 3.04Å | ||
| 206 | M | 88.6 | Confident | 88.6 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | trans | -78.9 | -13.5 | -175.3 | -162.2 | 65 | 102.2 | 0 | 0 | 113.3 | M178 M183 C208 C209 L210 L308 M309 L346 | M178-M206 HydrophobicContact CE-CB 3.57Å; M178-M206 HydrophobicContact CE-CG 4.42Å; M178-M206 HydrophobicContact SD-CE 4.35Å; M183-M206 HydrophobicContact SD-CE 4.25Å; M206-C208 VanDerWaalsContact C-N 3.34Å; M206-C208 PolarHBondContact O-N 2.86Å; M206-C209 CarbonylContact O-C 3.49Å; M206-C209 PolarHBondContact O-N 2.85Å; M206-C209 HydrophobicContact SD-CB 3.86Å; M206-L210 WeakPolarHBondContact O-CB 3.36Å; M206-L210 PolarHBondContact O-N 3.4Å; M206-L308 HydrophobicContact CE-CB 3.55Å; M206-L308 HydrophobicContact CE-CD1 4.49Å; M206-L308 HydrophobicContact CE-CD2 4.1Å; M206-L308 HydrophobicContact CE-CG 4.23Å; M206-L308 HydrophobicContact CG-CB 4.5Å; M206-L308 HydrophobicContact CG-CD1 3.9Å; M206-L308 HydrophobicContact SD-CB 4Å; M206-L308 HydrophobicContact SD-CD1 3.84Å; M206-L308 HydrophobicContact SD-CD2 3.67Å; M206-L308 HydrophobicContact SD-CG 4.04Å; M206-M309 HydrophobicContact CE-CE 3.64Å; M206-L346 HydrophobicContact CE-CD2 3.55Å; M206-L346 HydrophobicContact SD-CD2 3.92Å | ||
| 207 | S | 90.2 | Very high | 89.3 | Confident | 78 Ų | 78 | 28.6 Ų | 28.6 | 55% | 0.545 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -55 | -46.4 | -169.1 | -48.1 | 0 | 0 | 0 | 0 | 112.8 | D205 R211 | D205-S207 VanDerWaalsContact C-N 3.32Å; D205-S207 PolarHBondContact O-N 2.9Å; D205-S207 VanDerWaalsContact OD1-CB 3.26Å; D205-S207 WeakPolarHBondContact OD1-CB 3.25Å; D205-S207 PolarHBondContact OD1-N 2.66Å; D205-S207 PolarHBondContact OD1-OG 3.04Å; S207-R211 WeakPolarHBondContact O-CB 3.09Å; S207-R211 PolarHBondContact O-N 3.22Å; S207-R211 VanDerWaalsContact O-N 3.07Å |
| 208 | C | 88.4 | Confident | 89.6 | Confident | 53 Ų | 53 | 33.2 Ų | 33.2 | 36% | 0.358 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.1 | -37.5 | 178.1 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | M206 M212 H338 | M206-C208 VanDerWaalsContact C-N 3.34Å; M206-C208 PolarHBondContact O-N 2.86Å; C208-M212 WeakPolarHBondContact O-CB 3.41Å; C208-M212 PolarHBondContact O-N 3Å; C208-M212 VanDerWaalsContact O-N 3.14Å; C208-H338 HydrophobicContact CB-CB 4.35Å; C208-H338 PolarHBondContact O-CE1 2.86Å; C208-H338 VanDerWaalsContact O-CE1 3.24Å |
| 209 | C | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.6 | -41.1 | 178.1 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | M206 L213 L308 C345 C347 | M206-C209 CarbonylContact O-C 3.49Å; M206-C209 PolarHBondContact O-N 2.85Å; M206-C209 HydrophobicContact SD-CB 3.86Å; C209-L213 VanDerWaalsContact O-CB 3.27Å; C209-L213 WeakPolarHBondContact O-CB 3.31Å; C209-L213 PolarHBondContact O-N 2.93Å; C209-L308 HydrophobicContact CB-CD1 4.42Å; C209-L308 HydrophobicContact CB-CD2 4.08Å; C209-C345 PolarHBondContact SG-SG 3.44Å; C209-C347 HydrophobicContact CB-CB 3.99Å |
| 210 | L | 91.7 | Very high | 88.6 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 176.8 | -178.9 | 64.3 | 0 | 0 | 0 | 110.7 | M206 L213 S214 Q301 A304 Y305 L308 | M206-L210 WeakPolarHBondContact O-CB 3.36Å; M206-L210 PolarHBondContact O-N 3.4Å; L210-L213 PolarHBondContact O-N 3.44Å; L210-S214 WeakPolarHBondContact O-CB 3.46Å; L210-S214 PolarHBondContact O-N 3.16Å; L210-S214 PolarHBondContact O-OG 3.18Å; L210-Q301 HydrophobicContact CD1-CG 4.44Å; L210-Q301 HydrophobicContact CD2-CG 4.49Å; L210-Q301 HydrophobicContact CG-CG 4.5Å; L210-A304 HydrophobicContact CD1-CB 3.81Å; L210-Y305 HydrophobicContact CD1-CD2 4.38Å; L210-L308 HydrophobicContact CB-CD1 3.97Å; L210-L308 HydrophobicContact CD1-CD1 3.94Å |
| 211 | R | 90.7 | Very high | 87.4 | Confident | 137 Ų | 137 | 41.4 Ų | 41.4 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -51.7 | 178.5 | -177.5 | 172.2 | 58.5 | 78.8 | -1 | 112 | S207 L213 S214 E215 | S207-R211 WeakPolarHBondContact O-CB 3.09Å; S207-R211 PolarHBondContact O-N 3.22Å; S207-R211 VanDerWaalsContact O-N 3.07Å; R211-L213 PolarHBondContact O-N 3.49Å; R211-S214 PolarHBondContact O-N 3.37Å; R211-E215 WeakPolarHBondContact CG-OE1 3.49Å; R211-E215 IonicContact NH1-OE1 2.65Å; R211-E215 PolarHBondContact NH1-OE1 3.15Å; R211-E215 VanDerWaalsContact NH1-OE1 3.09Å; R211-E215 IonicContact NH1-OE2 2.59Å; R211-E215 WeakPolarHBondContact O-CG 3.4Å; R211-E215 PolarHBondContact O-N 3.43Å |
| 212 | M | 89.8 | Confident | 85.7 | Confident | 39 Ų | 39 | 50 Ų | 50 | 19% | 0.192 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 179.1 | 177.3 | -170.7 | -79.1 | 0 | 0 | 112.7 | C208 T216 R336 H338 C347 | C208-M212 WeakPolarHBondContact O-CB 3.41Å; C208-M212 PolarHBondContact O-N 3Å; C208-M212 VanDerWaalsContact O-N 3.14Å; M212-T216 WeakPolarHBondContact O-CB 3.37Å; M212-T216 PolarHBondContact O-N 3.22Å; M212-T216 PolarHBondContact O-OG1 3.42Å; M212-R336 HydrophobicContact CE-CB 4.39Å; M212-H338 WeakPolarHBondContact CE-CE1 3.17Å; M212-H338 WeakPolarHBondContact CE-NE2 3.37Å; M212-C347 HydrophobicContact SD-CB 4.2Å; M212-C347 PolarHBondContact SD-SG 3.19Å |
| 213 | L | 88.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 179.6 | -172.7 | 64.1 | 0 | 0 | 0 | 111.6 | C209 L210 R211 T216 L217 A304 L307 L308 C347 I350 L355 | C209-L213 VanDerWaalsContact O-CB 3.27Å; C209-L213 WeakPolarHBondContact O-CB 3.31Å; C209-L213 PolarHBondContact O-N 2.93Å; L210-L213 PolarHBondContact O-N 3.44Å; R211-L213 PolarHBondContact O-N 3.49Å; L213-T216 PolarHBondContact O-N 3.46Å; L213-L217 HydrophobicContact CG-CD1 4.24Å; L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 VanDerWaalsContact O-CG 3.32Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.86Å; L213-A304 HydrophobicContact CB-CB 4.04Å; L213-A304 HydrophobicContact CD2-CB 3.98Å; L213-A304 HydrophobicContact CG-CB 3.9Å; L213-L307 HydrophobicContact CD2-CB 4.12Å; L213-L307 HydrophobicContact CD2-CD1 4.44Å; L213-L308 HydrophobicContact CD2-CD1 4.19Å; L213-L308 HydrophobicContact CD2-CD2 4.16Å; L213-L308 HydrophobicContact CD2-CG 3.76Å; L213-C347 HydrophobicContact CB-CB 4.39Å; L213-I350 HydrophobicContact CD1-CG2 4.06Å; L213-I350 HydrophobicContact CD2-CD1 4.16Å; L213-I350 HydrophobicContact CD2-CG2 4.09Å; L213-L355 HydrophobicContact CD1-CD1 4.11Å |
| 214 | S | 89.4 | Confident | 82.9 | Confident | 11 Ų | 11 | 57 Ų | 57 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -50.3 | 174.2 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | L210 R211 T216 L217 E218 Q301 A304 | L210-S214 WeakPolarHBondContact O-CB 3.46Å; L210-S214 PolarHBondContact O-N 3.16Å; L210-S214 PolarHBondContact O-OG 3.18Å; R211-S214 PolarHBondContact O-N 3.37Å; S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 3.26Å; S214-L217 PolarHBondContact O-N 3.25Å; S214-L217 VanDerWaalsContact O-N 3.09Å; S214-E218 WeakPolarHBondContact O-CG 3.46Å; S214-E218 PolarHBondContact O-N 3.26Å; S214-Q301 WeakPolarHBondContact OG-CA 3.3Å; S214-A304 WeakPolarHBondContact OG-CB 3.41Å |
| 215 | E | 89.8 | Confident | 81.6 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 175.3 | -70.9 | 165.9 | -170.2 | 0 | 0 | 110.6 | R211 L217 E218 E219 | R211-E215 WeakPolarHBondContact CG-OE1 3.49Å; R211-E215 IonicContact NH1-OE1 2.65Å; R211-E215 PolarHBondContact NH1-OE1 3.15Å; R211-E215 VanDerWaalsContact NH1-OE1 3.09Å; R211-E215 IonicContact NH1-OE2 2.59Å; R211-E215 WeakPolarHBondContact O-CG 3.4Å; R211-E215 PolarHBondContact O-N 3.43Å; E215-L217 PolarHBondContact O-N 3.36Å; E215-E218 PolarHBondContact O-N 2.97Å; E215-E219 WeakPolarHBondContact O-CG 3.47Å; E215-E219 PolarHBondContact O-N 2.93Å |
| 216 | T | 86.3 | Confident | 80.6 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | M212 L213 S214 E218 E219 H220 K351 L355 | M212-T216 WeakPolarHBondContact O-CB 3.37Å; M212-T216 PolarHBondContact O-N 3.22Å; M212-T216 PolarHBondContact O-OG1 3.42Å; L213-T216 PolarHBondContact O-N 3.46Å; S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 3.26Å; T216-E218 VanDerWaalsContact C-N 3.34Å; T216-E219 PolarHBondContact O-N 3.1Å; T216-H220 WeakPolarHBondContact O-CB 3.21Å; T216-H220 PolarHBondContact O-CD2 2.78Å; T216-H220 PolarHBondContact O-N 2.81Å; T216-K351 HydrophobicContact CG2-CD 4.02Å; T216-K351 HydrophobicContact CG2-CG 4.32Å; T216-L355 HydrophobicContact CG2-CD1 4Å |
| 217 | L | 84.9 | Confident | 79.9 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.4 | -32.6 | 178.7 | -74.9 | 170.5 | 0 | 0 | 0 | 112.6 | L213 S214 E215 H220 S221 A300 K303 A304 L307 L355 | L213-L217 HydrophobicContact CG-CD1 4.24Å; L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 VanDerWaalsContact O-CG 3.32Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.86Å; S214-L217 PolarHBondContact O-N 3.25Å; S214-L217 VanDerWaalsContact O-N 3.09Å; E215-L217 PolarHBondContact O-N 3.36Å; L217-H220 CarbonylContact O-C 3.23Å; L217-H220 PolarHBondContact O-N 3.08Å; L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 2.95Å; L217-A300 HydrophobicContact CB-CB 4.11Å; L217-K303 HydrophobicContact CD1-CB 3.9Å; L217-A304 HydrophobicContact CD1-CB 3.87Å; L217-L307 HydrophobicContact CD1-CD1 4.21Å; L217-L355 HydrophobicContact CD2-CD1 3.92Å; L217-L355 HydrophobicContact CD2-CD2 3.86Å; L217-L355 HydrophobicContact CG-CD1 4.46Å |
| 218 | E | 85.8 | Confident | 79.3 | Confident | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 172.5 | -72.3 | 174.9 | -172.6 | 0 | 0 | 111.2 | S214 E215 T216 H220 S221 A300 | S214-E218 WeakPolarHBondContact O-CG 3.46Å; S214-E218 PolarHBondContact O-N 3.26Å; E215-E218 PolarHBondContact O-N 2.97Å; T216-E218 VanDerWaalsContact C-N 3.34Å; E218-H220 VanDerWaalsContact C-N 3.27Å; E218-H220 PolarHBondContact O-N 3.08Å; E218-S221 VanDerWaalsContact O-CB 3.29Å; E218-S221 WeakPolarHBondContact O-CB 3.47Å; E218-S221 PolarHBondContact O-N 3.09Å; E218-S221 VanDerWaalsContact O-N 3.09Å; E218-S221 PolarHBondContact O-OG 2.75Å; E218-A300 HydrophobicContact CG-CB 3.43Å; E218-A300 VanDerWaalsContact CG-CB 3.43Å |
| 219 | E | 83.7 | Confident | 78.8 | Confident | 129 Ų | 129 | 70 Ų | 70 | 60% | 0.603 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.2 | -39.5 | 173 | -72.2 | 173.4 | -178.8 | 0 | 0 | 112 | E215 T216 S221 F222 | E215-E219 WeakPolarHBondContact O-CG 3.47Å; E215-E219 PolarHBondContact O-N 2.93Å; T216-E219 PolarHBondContact O-N 3.1Å; E219-S221 VanDerWaalsContact C-N 3.32Å; E219-F222 WeakPolarHBondContact O-CD2 3.36Å |
| 220 | H | 73.4 | Confident | 78.2 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -79.5 | -13.2 | 178.1 | -81.6 | -74.8 | 0 | 0 | 0 | 113.5 | T216 L217 E218 F222 V223 T227 | T216-H220 WeakPolarHBondContact O-CB 3.21Å; T216-H220 PolarHBondContact O-CD2 2.78Å; T216-H220 PolarHBondContact O-N 2.81Å; L217-H220 CarbonylContact O-C 3.23Å; L217-H220 PolarHBondContact O-N 3.08Å; E218-H220 VanDerWaalsContact C-N 3.27Å; E218-H220 PolarHBondContact O-N 3.08Å; H220-F222 PolarHBondContact O-N 3.31Å; H220-V223 CarbonylContact O-C 3.59Å; H220-V223 PolarHBondContact O-N 2.94Å; H220-T227 HydrophobicContact CB-CG2 3.95Å |
| 221 | S | 64.9 | Low | 77.6 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -65.9 | -19.8 | 178.3 | 77 | 0 | 0 | 0 | 0 | 112.9 | L217 E218 E219 V223 T224 | L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 2.95Å; E218-S221 VanDerWaalsContact O-CB 3.29Å; E218-S221 WeakPolarHBondContact O-CB 3.47Å; E218-S221 PolarHBondContact O-N 3.09Å; E218-S221 VanDerWaalsContact O-N 3.09Å; E218-S221 PolarHBondContact O-OG 2.75Å; E219-S221 VanDerWaalsContact C-N 3.32Å; S221-V223 PolarHBondContact O-N 3.47Å; S221-T224 WeakPolarHBondContact O-CB 3.32Å; S221-T224 WeakPolarHBondContact O-CG2 3.47Å; S221-T224 PolarHBondContact O-N 2.96Å; S221-T224 PolarHBondContact O-OG1 3.43Å |
| 222 | F | 56.3 | Low | 77.1 | Confident | 180 Ų | 180 | 71.4 Ų | 71.4 | 79% | 0.789 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -66.9 | -19.8 | 170.4 | -67.3 | -83.4 | 0 | 0 | 0 | 113 | E219 H220 | E219-F222 WeakPolarHBondContact O-CD2 3.36Å; H220-F222 PolarHBondContact O-N 3.31Å |
| 223 | V | 62.1 | Low | 76.5 | Confident | 83 Ų | 83 | 73.5 Ų | 73.5 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -117.3 | 49.5 | 174.9 | -163 | 0 | 0 | 0 | 0 | 109.4 | H220 S221 N225 E226 T227 | H220-V223 CarbonylContact O-C 3.59Å; H220-V223 PolarHBondContact O-N 2.94Å; S221-V223 PolarHBondContact O-N 3.47Å; V223-N225 VanDerWaalsContact C-N 3.34Å; V223-N225 PolarHBondContact O-N 2.86Å; V223-E226 HydrophobicContact CG1-CB 4.05Å; V223-E226 HydrophobicContact CG1-CG 4.34Å; V223-E226 PolarHBondContact O-N 2.73Å; V223-T227 HydrophobicContact CB-CG2 4.4Å; V223-T227 WeakPolarHBondContact O-CG2 3.49Å; V223-T227 PolarHBondContact O-N 2.82Å; V223-T227 PolarHBondContact O-OG1 3.48Å |
| 224 | T | 63.3 | Low | 76 | Confident | 75 Ų | 75 | 77.9 Ų | 77.9 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.7 | -36.8 | -163.1 | -7.8 | 0 | 0 | 0 | 0 | 114 | S221 T227 Q228 | S221-T224 WeakPolarHBondContact O-CB 3.32Å; S221-T224 WeakPolarHBondContact O-CG2 3.47Å; S221-T224 PolarHBondContact O-N 2.96Å; S221-T224 PolarHBondContact O-OG1 3.43Å; T224-T227 PolarHBondContact O-OG1 3.43Å; T224-Q228 VanDerWaalsContact O-CB 3.24Å; T224-Q228 WeakPolarHBondContact O-CB 3.28Å; T224-Q228 PolarHBondContact O-N 3.26Å |
| 225 | N | 65.4 | Low | 75.4 | Confident | 136 Ų | 136 | 77.3 Ų | 77.3 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -76.7 | -42.6 | -175.2 | -74.3 | -21.6 | 0 | 0 | 0 | 112.9 | V223 K229 | V223-N225 VanDerWaalsContact C-N 3.34Å; V223-N225 PolarHBondContact O-N 2.86Å; N225-K229 WeakPolarHBondContact O-CB 3.35Å; N225-K229 PolarHBondContact O-N 2.79Å |
| 226 | E | 69.9 | Low | 74.6 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.2 | -36.4 | -178.9 | -64.5 | -56 | 142.3 | 0 | 0 | 111.9 | V223 K229 T230 | V223-E226 HydrophobicContact CG1-CB 4.05Å; V223-E226 HydrophobicContact CG1-CG 4.34Å; V223-E226 PolarHBondContact O-N 2.73Å; E226-K229 PolarHBondContact O-N 3.44Å; E226-T230 VanDerWaalsContact O-CB 3.31Å; E226-T230 WeakPolarHBondContact O-CB 2.97Å; E226-T230 PolarHBondContact O-N 3.07Å; E226-T230 PolarHBondContact O-OG1 3.46Å |
| 227 | T | 73.1 | Confident | 73.8 | Confident | 29 Ų | 29 | 81.8 Ų | 81.8 | 18% | 0.178 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | H220 V223 T224 T230 M231 | H220-T227 HydrophobicContact CB-CG2 3.95Å; V223-T227 HydrophobicContact CB-CG2 4.4Å; V223-T227 WeakPolarHBondContact O-CG2 3.49Å; V223-T227 PolarHBondContact O-N 2.82Å; V223-T227 PolarHBondContact O-OG1 3.48Å; T224-T227 PolarHBondContact O-OG1 3.43Å; T227-T230 PolarHBondContact O-N 3.44Å; T227-M231 WeakPolarHBondContact O-CB 3.46Å; T227-M231 PolarHBondContact O-N 2.92Å |
| 228 | Q | 78.6 | Confident | 73.1 | Confident | 41 Ų | 41 | 81.6 Ų | 81.6 | 19% | 0.192 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 174 | -171.9 | 69.3 | 20.7 | 0 | 0 | 112 | T224 M231 K232 P294 A296 | T224-Q228 VanDerWaalsContact O-CB 3.24Å; T224-Q228 WeakPolarHBondContact O-CB 3.28Å; T224-Q228 PolarHBondContact O-N 3.26Å; Q228-M231 PolarHBondContact O-N 3.34Å; Q228-M231 VanDerWaalsContact OE1-CE 3.26Å; Q228-K232 VanDerWaalsContact O-CB 3.3Å; Q228-K232 WeakPolarHBondContact O-CB 3.36Å; Q228-K232 PolarHBondContact O-N 3.3Å; Q228-P294 PolarHBondContact NE2-O 3.47Å; Q228-A296 HydrophobicContact CG-CB 4.31Å |
| 229 | K | 76.7 | Confident | 71.9 | Confident | 138 Ų | 138 | 79.1 Ų | 79.1 | 60% | 0.6 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 176.9 | -174.3 | -179.5 | 178.6 | -173.5 | 0 | 111.8 | N225 E226 K232 S233 | N225-K229 WeakPolarHBondContact O-CB 3.35Å; N225-K229 PolarHBondContact O-N 2.79Å; E226-K229 PolarHBondContact O-N 3.44Å; K229-K232 PolarHBondContact O-N 2.93Å; K229-S233 WeakPolarHBondContact O-CB 3.47Å; K229-S233 PolarHBondContact O-N 2.91Å |
| 230 | T | 78.8 | Confident | 70.6 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 28% | 0.282 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | E226 T227 K232 S233 R234 | E226-T230 VanDerWaalsContact O-CB 3.31Å; E226-T230 WeakPolarHBondContact O-CB 2.97Å; E226-T230 PolarHBondContact O-N 3.07Å; E226-T230 PolarHBondContact O-OG1 3.46Å; T227-T230 PolarHBondContact O-N 3.44Å; T230-K232 PolarHBondContact O-N 3.35Å; T230-S233 PolarHBondContact O-N 3.26Å; T230-R234 WeakPolarHBondContact O-CG 3.37Å; T230-R234 PolarHBondContact O-N 2.75Å |
| 231 | M | 78.5 | Confident | 69.7 | Low | 7 Ų | 7 | 75.4 Ų | 75.4 | 3% | 0.034 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 176.6 | -175.6 | 174.3 | 68.5 | 0 | 0 | 111.6 | T227 Q228 S233 R234 M235 V293 P294 L307 V354 | T227-M231 WeakPolarHBondContact O-CB 3.46Å; T227-M231 PolarHBondContact O-N 2.92Å; Q228-M231 PolarHBondContact O-N 3.34Å; Q228-M231 VanDerWaalsContact OE1-CE 3.26Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 2.97Å; M231-R234 PolarHBondContact O-N 3.31Å; M231-M235 HydrophobicContact CG-CG 4.31Å; M231-M235 HydrophobicContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact O-CB 3.31Å; M231-M235 WeakPolarHBondContact O-CB 3.01Å; M231-M235 WeakPolarHBondContact O-CG 3.21Å; M231-M235 PolarHBondContact O-N 3.48Å; M231-M235 HydrophobicContact SD-SD 4.18Å; M231-V293 HydrophobicContact CE-CG1 4.07Å; M231-P294 HydrophobicContact CE-CB 3.94Å; M231-P294 HydrophobicContact CE-CG 3.92Å; M231-P294 HydrophobicContact SD-CB 4.41Å; M231-P294 HydrophobicContact SD-CG 3.79Å; M231-L307 HydrophobicContact SD-CD1 4.25Å; M231-L307 HydrophobicContact SD-CD2 4.04Å; M231-V354 HydrophobicContact CB-CG1 4.09Å; M231-V354 HydrophobicContact CG-CG1 3.68Å; M231-V354 HydrophobicContact SD-CG1 4.43Å |
| 232 | K | 79.4 | Confident | 68.7 | Low | 143 Ų | 143 | 75.2 Ų | 75.2 | 62% | 0.622 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 177.7 | -174 | 176.7 | 180 | 178.8 | 0 | 112.1 | Q228 K229 T230 S236 V293 | Q228-K232 VanDerWaalsContact O-CB 3.3Å; Q228-K232 WeakPolarHBondContact O-CB 3.36Å; Q228-K232 PolarHBondContact O-N 3.3Å; K229-K232 PolarHBondContact O-N 2.93Å; T230-K232 PolarHBondContact O-N 3.35Å; K232-S236 WeakPolarHBondContact O-CB 3.38Å; K232-S236 PolarHBondContact O-N 3.04Å; K232-S236 VanDerWaalsContact O-N 3.11Å; K232-V293 HydrophobicContact CB-CG1 4.35Å |
| 233 | S | 77.9 | Confident | 68 | Low | 84 Ų | 84 | 72.7 Ų | 72.7 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.6 | -50.3 | 176 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | K229 T230 M231 M235 S236 | K229-S233 WeakPolarHBondContact O-CB 3.47Å; K229-S233 PolarHBondContact O-N 2.91Å; T230-S233 PolarHBondContact O-N 3.26Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 2.97Å; S233-M235 PolarHBondContact O-N 3.26Å; S233-S236 WeakPolarHBondContact O-CB 3.43Å; S233-S236 PolarHBondContact O-N 3.45Å; S233-S236 PolarHBondContact O-OG 3.11Å |
| 234 | R | 77 | Confident | 66.8 | Low | 92 Ų | 92 | 73.1 Ų | 73.1 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.5 | -27.5 | -174.8 | -67.4 | -166.5 | -178 | -166.6 | 10.3 | 114.2 | T230 M231 H237 K353 Q356 | T230-R234 WeakPolarHBondContact O-CG 3.37Å; T230-R234 PolarHBondContact O-N 2.75Å; M231-R234 PolarHBondContact O-N 3.31Å; R234-H237 PolarHBondContact O-CE1 3.41Å; R234-H237 PolarHBondContact O-ND1 3.45Å; R234-H237 VanDerWaalsContact O-ND1 3.09Å; R234-K353 WeakPolarHBondContact CD-O 3.3Å; R234-K353 PolarHBondContact NH1-O 3.13Å; R234-Q356 PolarHBondContact NH1-OXT 2.77Å; R234-Q356 PolarHBondContact NH2-O 3.4Å; R234-Q356 PolarHBondContact NH2-OXT 3.35Å |
| 235 | M | 78.1 | Confident | 65.4 | Low | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -98.5 | 1.5 | 179.5 | -65.2 | -179 | 75.2 | 0 | 0 | 113.5 | M231 S233 H237 L238 L292 V293 L307 T310 Y311 V354 | M231-M235 HydrophobicContact CG-CG 4.31Å; M231-M235 HydrophobicContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact O-CB 3.31Å; M231-M235 WeakPolarHBondContact O-CB 3.01Å; M231-M235 WeakPolarHBondContact O-CG 3.21Å; M231-M235 PolarHBondContact O-N 3.48Å; M231-M235 HydrophobicContact SD-SD 4.18Å; S233-M235 PolarHBondContact O-N 3.26Å; M235-H237 PolarHBondContact O-N 2.84Å; M235-L238 HydrophobicContact CB-CD1 4.28Å; M235-L238 HydrophobicContact CE-CD1 4.14Å; M235-L238 HydrophobicContact CG-CD1 4.24Å; M235-L238 WeakPolarHBondContact O-CB 3.49Å; M235-L238 PolarHBondContact O-N 3.37Å; M235-L292 WeakPolarHBondContact CE-O 3.44Å; M235-V293 HydrophobicContact CB-CG2 3.82Å; M235-L307 HydrophobicContact CE-CD2 3.84Å; M235-L307 HydrophobicContact SD-CD2 3.51Å; M235-L307 VanDerWaalsContact SD-CD2 3.51Å; M235-T310 HydrophobicContact CE-CG2 3.84Å; M235-Y311 HydrophobicContact CE-CE2 4.31Å; M235-V354 HydrophobicContact SD-CG1 4.32Å |
| 236 | S | 72.4 | Confident | 63.9 | Low | 82 Ų | 82 | 73.8 Ų | 73.8 | 57% | 0.573 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.3 | -177.3 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | K232 S233 | K232-S236 WeakPolarHBondContact O-CB 3.38Å; K232-S236 PolarHBondContact O-N 3.04Å; K232-S236 VanDerWaalsContact O-N 3.11Å; S233-S236 WeakPolarHBondContact O-CB 3.43Å; S233-S236 PolarHBondContact O-N 3.45Å; S233-S236 PolarHBondContact O-OG 3.11Å |
| 237 | H | 69.4 | Low | 62.3 | Low | 107 Ų | 107 | 75.9 Ų | 75.9 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.4 | 178.7 | 66 | -84.9 | 0 | 0 | 0 | 113.9 | R234 M235 | R234-H237 PolarHBondContact O-CE1 3.41Å; R234-H237 PolarHBondContact O-ND1 3.45Å; R234-H237 VanDerWaalsContact O-ND1 3.09Å; M235-H237 PolarHBondContact O-N 2.84Å |
| 238 | L | 70.5 | Confident | 60.5 | Low | 17 Ų | 17 | 81.6 Ų | 81.6 | 9% | 0.089 | 44% | 0.435 | C | S | . | . | trans | -96.9 | 92.4 | -179.2 | -61.5 | 176.2 | 0 | 0 | 0 | 109.7 | I164 V168 M235 L292 T310 | I164-L238 HydrophobicContact CG2-CD2 3.77Å; V168-L238 HydrophobicContact CG2-CD2 4.32Å; M235-L238 HydrophobicContact CB-CD1 4.28Å; M235-L238 HydrophobicContact CE-CD1 4.14Å; M235-L238 HydrophobicContact CG-CD1 4.24Å; M235-L238 WeakPolarHBondContact O-CB 3.49Å; M235-L238 PolarHBondContact O-N 3.37Å; L238-L292 HydrophobicContact CB-CB 4.26Å; L238-L292 HydrophobicContact CB-CD1 4.03Å; L238-L292 PolarHBondContact O-N 2.86Å; L238-T310 HydrophobicContact CD1-CG2 3.78Å | ||
| 239 | V | 61.4 | Low | 58.6 | Low | 56 Ų | 56 | 84.4 Ų | 84.4 | 34% | 0.339 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.6 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | V241 N289 | V239-V241 HydrophobicContact CG1-CG2 4.47Å; V239-N289 HydrophobicContact CG1-CB 3.66Å |
| 240 | L | 56.6 | Low | 56.5 | Low | 47 Ų | 47 | 87.2 Ų | 87.2 | 25% | 0.246 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 113.6 | 171.4 | 180 | 70 | 0 | 0 | 0 | 109.2 | V168 T242 H290 L292 | V168-L240 HydrophobicContact CG1-CB 3.73Å; V168-L240 HydrophobicContact CG1-CD1 3.45Å; V168-L240 VanDerWaalsContact CG1-CD1 3.45Å; V168-L240 HydrophobicContact CG1-CG 4.19Å; L240-T242 PolarHBondContact O-N 3.47Å; L240-H290 HydrophobicContact CB-CB 4.38Å; L240-H290 PolarHBondContact N-O 3.38Å; L240-H290 PolarHBondContact O-N 2.77Å; L240-L292 HydrophobicContact CB-CD2 4.44Å |
| 241 | V | 53.9 | Low | 54.3 | Low | 56 Ų | 56 | 90 Ų | 90 | 34% | 0.339 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 100.5 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | V239 T287 N289 | V239-V241 HydrophobicContact CG1-CG2 4.47Å; V241-T287 HydrophobicContact CG1-CG2 4.3Å; V241-N289 WeakPolarHBondContact CG2-OD1 3.27Å |
| 242 | T | 44.3 | Very low | 51.8 | Low | 51 Ų | 51 | 93.5 Ų | 93.5 | 31% | 0.313 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.6 | 175.1 | -57 | 0 | 0 | 0 | 0 | 109.2 | L240 S288 | L240-T242 PolarHBondContact O-N 3.47Å; T242-S288 PolarHBondContact N-O 3.33Å; T242-S288 PolarHBondContact O-N 3.15Å; T242-S288 VanDerWaalsContact O-N 3.11Å |
| 243 | K | 41.8 | Very low | 49.4 | Very low | 126 Ų | 126 | 90.2 Ų | 90.2 | 55% | 0.548 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 106.8 | 167.8 | -79.1 | 165.7 | 169.9 | 176 | 0 | 106.4 | K285 T287 | K243-K285 VanDerWaalsContact CD-CE 3.48Å; K243-T287 HydrophobicContact CG-CG2 4.01Å |
| 244 | L | 35.6 | Very low | 46.9 | Very low | 93 Ų | 93 | 91.9 Ų | 91.9 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 138.3 | 172.4 | -78.5 | 156.6 | 0 | 0 | 0 | 108.8 | ||
| 245 | P | 34.1 | Very low | 44.9 | Very low | 101 Ų | 101 | 95.3 Ų | 95.3 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 145 | 163.8 | 26.1 | -30 | 0 | 0 | 0 | 108.7 | I247 | P245-I247 PolarHBondContact O-N 2.86Š|
| 246 | P | 35 | Very low | 42.6 | Very low | 123 Ų | 123 | 101.5 Ų | 101.5 | 80% | 0.799 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 124.9 | 178.1 | 23.8 | -31.4 | 0 | 0 | 0 | 109.2 | N248 | P246-N248 PolarHBondContact O-N 2.9Š|
| 247 | I | 34.8 | Very low | 41 | Very low | 154 Ų | 154 | 107 Ų | 107 | 79% | 0.79 | 64% | 0.635 | S | S | * | * | trans | -70.1 | 101.5 | 170 | -64.3 | 166.9 | 0 | 0 | 0 | 105.5 | P245 P249 | P245-I247 PolarHBondContact O-N 2.86Å; I247-P249 WeakPolarHBondContact O-CD 3.27Å | ||
| 248 | N | 35.2 | Very low | 39.2 | Very low | 150 Ų | 150 | 111 Ų | 111 | 80% | 0.802 | 65% | 0.654 | S | S | * | * | trans | -99.8 | 107.8 | 168.9 | -142.7 | -1.5 | 0 | 0 | 0 | 107.1 | P246 E250 | P246-N248 PolarHBondContact O-N 2.9Å; N248-E250 PolarHBondContact O-N 2.63Å | ||
| 249 | P | 39.4 | Very low | 37 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | trans | -87.1 | 91.7 | 174.4 | 32.8 | -24.7 | 0 | 0 | 0 | 107.5 | I247 | I247-P249 WeakPolarHBondContact O-CD 3.27Š| ||
| 250 | E | 32.5 | Very low | 35.6 | Very low | 196 Ų | 196 | 118.9 Ų | 118.9 | 92% | 0.916 | 70% | 0.702 | S | S | * | * | trans | -177 | 146.8 | 143.7 | -101.8 | 166.3 | -163.1 | 0 | 0 | 111.6 | N248 | N248-E250 PolarHBondContact O-N 2.63Š| ||
| 251 | A | 32.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 73% | 0.73 | S | S | * | * | trans | -79.6 | 153.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 252 | G | 26.7 | Very low | 33.7 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | trans | 114.5 | 105 | 141.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 253 | G | 28.2 | Very low | 33.2 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 91.7 | 131.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 254 | S | 25.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 89.8 | 113.8 | 159.6 | 74.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 255 | D | 34.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -56.3 | 121.6 | 157.3 | -66.2 | -53.9 | 0 | 0 | 0 | 110.7 | ||||
| 256 | V | 30 | Very low | 33 | Very low | 130 Ų | 130 | 144 Ų | 144 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | trans | -149.4 | 124.6 | 144.3 | -172.5 | 0 | 0 | 0 | 0 | 107.5 | Q258 | V256-Q258 PolarHBondContact O-N 2.77Š| ||
| 257 | E | 38.5 | Very low | 33.1 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -53.9 | 121.7 | 167 | -66.6 | -162.3 | 143.7 | 0 | 0 | 109.8 | ||||
| 258 | Q | 30.9 | Very low | 32.8 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -112.1 | 109.7 | 172.4 | -161.6 | 152.7 | 3.7 | 0 | 0 | 110.8 | V256 | V256-Q258 PolarHBondContact O-N 2.77Š| ||
| 259 | D | 26.2 | Very low | 32.7 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | -53.3 | 148.9 | 177.6 | -159.5 | -1.3 | 0 | 0 | 0 | 113 | D261 | D259-D261 PolarHBondContact O-N 3.11Š| ||
| 260 | S | 30.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | trans | -46.4 | 106.5 | 174.2 | -1.6 | 0 | 0 | 0 | 0 | 113.8 | E262 | S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.99Å; S260-E262 VanDerWaalsContact O-N 3.1Å | ||
| 261 | D | 33.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -88.2 | 57 | 177.6 | -142.7 | 5.4 | 0 | 0 | 0 | 112.3 | D259 | D259-D261 PolarHBondContact O-N 3.11Š| ||
| 262 | E | 37.9 | Very low | 32.2 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -105.8 | 15.4 | 171.8 | -72.7 | -152.5 | 157.1 | 0 | 0 | 113.9 | S260 | S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.99Å; S260-E262 VanDerWaalsContact O-N 3.1Å | ||
| 263 | N | 34.9 | Very low | 32.2 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -117.7 | 69.9 | 173.4 | -91.2 | -2.2 | 0 | 0 | 0 | 112.1 | ||||
| 264 | R | 35.3 | Very low | 32.1 | Very low | 218 Ų | 218 | 152.7 Ų | 152.7 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | trans | -109.7 | 116.9 | 162.8 | -157.8 | 176.4 | -170.8 | -154.5 | 3.3 | 110.5 | ||||
| 265 | P | 31.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -69.7 | 140 | -176.3 | 27.9 | -32.8 | 0 | 0 | 0 | 111.5 | L267 | P265-L267 VanDerWaalsContact C-N 3.29Å; P265-L267 PolarHBondContact O-N 2.92Å; P265-L267 VanDerWaalsContact O-N 3.12Å | ||
| 266 | L | 38.9 | Very low | 31.6 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -79.2 | 20.9 | -165.2 | -77.5 | 170.9 | 0 | 0 | 0 | 116.4 | ||
| 267 | L | 36.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -150 | 116.6 | 175.8 | -70.5 | 173.7 | 0 | 0 | 0 | 111.5 | P265 | P265-L267 VanDerWaalsContact C-N 3.29Å; P265-L267 PolarHBondContact O-N 2.92Å; P265-L267 VanDerWaalsContact O-N 3.12Å | ||
| 268 | R | 30.1 | Very low | 31.1 | Very low | 244 Ų | 244 | 145.7 Ų | 145.7 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -126.7 | 110.4 | 156.1 | -167.8 | 175.8 | -169.1 | 175 | 4.2 | 107.9 | ||||
| 269 | N | 32.4 | Very low | 31.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -75.7 | 147.6 | 175.7 | -95.7 | 7.5 | 0 | 0 | 0 | 112.3 | ||||
| 270 | E | 35.1 | Very low | 31.2 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | 73.2 | 114 | 146.8 | -73.1 | 171.3 | 139 | 0 | 0 | 121.3 | ||||
| 271 | D | 30.4 | Very low | 31.2 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | 73.3 | 113.1 | 129.3 | -57.6 | -16.8 | 0 | 0 | 0 | 120.9 | |||||
| 272 | T | 29.3 | Very low | 30.9 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | 168.1 | 127.5 | 112.3 | -69.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 273 | G | 26 | Very low | 30.4 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 94.2 | 109.5 | 138.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 274 | C | 25.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -26 | 144.7 | 163.3 | -140.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 275 | S | 25.3 | Very low | 30.2 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 121 | 113.2 | 135.4 | -60 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 276 | T | 25 | Very low | 30.4 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 57 | 119.7 | 139.5 | 51.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 277 | T | 31.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | 55.4 | 106.1 | 139.6 | 60.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 278 | S | 26.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -167.3 | 126 | 134.5 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 279 | S | 31.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | trans | 32 | 88.3 | 150 | 61.2 | 0 | 0 | 0 | 0 | 118.2 | Q281 | S279-Q281 PolarHBondContact O-N 3.22Å; S279-Q281 VanDerWaalsContact O-N 3.16Å | ||
| 280 | Q | 28.5 | Very low | 33 | Very low | 199 Ų | 199 | 115.3 Ų | 115.3 | 93% | 0.93 | 68% | 0.684 | S | S | * | * | trans | -79.3 | 85.5 | 147.4 | -81.1 | -173.5 | 6 | 0 | 0 | 107.9 | G282 | Q280-G282 PolarHBondContact O-N 2.59Š| ||
| 281 | Q | 29 | Very low | 34.6 | Very low | 171 Ų | 171 | 111.8 Ų | 111.8 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | trans | -67.7 | 85.3 | 153.2 | -174.2 | 162 | -8.4 | 0 | 0 | 105.7 | S279 D283 | S279-Q281 PolarHBondContact O-N 3.22Å; S279-Q281 VanDerWaalsContact O-N 3.16Å; Q281-D283 PolarHBondContact O-N 2.98Å | ||
| 282 | G | 27.4 | Very low | 36.8 | Very low | 57 Ų | 57 | 106.3 Ų | 106.3 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | trans | -62.4 | 117.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107 | Q280 S284 | Q280-G282 PolarHBondContact O-N 2.59Å; G282-S284 PolarHBondContact O-N 3.01Å | ||
| 283 | D | 28.9 | Very low | 39 | Very low | 159 Ų | 159 | 100.4 Ų | 100.4 | 85% | 0.85 | 61% | 0.611 | S | S | * | * | trans | -56.9 | 85.7 | 167.6 | -80.5 | -39.4 | 0 | 0 | 0 | 108.8 | Q281 K285 | Q281-D283 PolarHBondContact O-N 2.98Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.2Å | ||
| 284 | S | 30.5 | Very low | 41.4 | Very low | 99 Ų | 99 | 97 Ų | 97 | 69% | 0.692 | 58% | 0.575 | S | S | * | * | trans | -66.7 | 97.4 | 173.3 | 66.2 | 0 | 0 | 0 | 0 | 106.6 | G282 V286 | G282-S284 PolarHBondContact O-N 3.01Å; S284-V286 WeakPolarHBondContact O-CG2 3.26Å; S284-V286 PolarHBondContact O-N 3.44Å | ||
| 285 | K | 35.6 | Very low | 43.8 | Very low | 142 Ų | 142 | 97 Ų | 97 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | trans | -58.2 | 90.5 | 166 | -175.3 | 167.8 | -170.3 | 157.2 | 0 | 107.6 | K243 D283 T287 | K243-K285 VanDerWaalsContact CD-CE 3.48Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.2Å; K285-T287 PolarHBondContact O-N 3.38Å | ||
| 286 | V | 35.4 | Very low | 45.9 | Very low | 93 Ų | 93 | 95.7 Ų | 95.7 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | trans | -65 | 101.1 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | S284 S288 | S284-V286 WeakPolarHBondContact O-CG2 3.26Å; S284-V286 PolarHBondContact O-N 3.44Å; V286-S288 PolarHBondContact O-N 2.89Å | ||
| 287 | T | 40.7 | Very low | 48.2 | Very low | 68 Ų | 68 | 94.6 Ų | 94.6 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 110.6 | 166 | 45.8 | 0 | 0 | 0 | 0 | 107.9 | V241 K243 K285 | V241-T287 HydrophobicContact CG1-CG2 4.3Å; K243-T287 HydrophobicContact CG-CG2 4.01Å; K285-T287 PolarHBondContact O-N 3.38Å |
| 288 | S | 41 | Very low | 50.5 | Low | 24 Ų | 24 | 90.8 Ų | 90.8 | 17% | 0.168 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.5 | 171.4 | 62.5 | 0 | 0 | 0 | 0 | 109.6 | T242 V286 H290 | T242-S288 PolarHBondContact N-O 3.33Å; T242-S288 PolarHBondContact O-N 3.15Å; T242-S288 VanDerWaalsContact O-N 3.11Å; V286-S288 PolarHBondContact O-N 2.89Å; S288-H290 PolarHBondContact OG-NE2 3.24Å |
| 289 | N | 53.8 | Low | 53.3 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 109.9 | 175.2 | -70.8 | -29.5 | 0 | 0 | 0 | 108.3 | V239 V241 | V239-N289 HydrophobicContact CG1-CB 3.66Å; V241-N289 WeakPolarHBondContact CG2-OD1 3.27Å |
| 290 | H | 57.4 | Low | 55.9 | Low | 99 Ų | 99 | 85.8 Ų | 85.8 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.6 | 175.3 | -63.7 | -80.2 | 0 | 0 | 0 | 109.7 | L240 S288 | L240-H290 HydrophobicContact CB-CB 4.38Å; L240-H290 PolarHBondContact N-O 3.38Å; L240-H290 PolarHBondContact O-N 2.77Å; S288-H290 PolarHBondContact OG-NE2 3.24Å |
| 291 | S | 68.7 | Low | 58.7 | Low | 80 Ų | 80 | 82.1 Ų | 82.1 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132.9 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | V293 | S291-V293 VanDerWaalsContact C-N 3.29Å; S291-V293 WeakPolarHBondContact OG-CG2 3.45Å; S291-V293 PolarHBondContact OG-N 3.28Å |
| 292 | L | 75.4 | Confident | 61.4 | Low | 21 Ų | 21 | 75.8 Ų | 75.8 | 11% | 0.11 | 45% | 0.453 | C | S | . | . | trans | -88 | 4 | 179 | -66 | 169.8 | 0 | 0 | 0 | 113.4 | V168 I171 M235 L238 L240 P294 Q306 T310 | V168-L292 HydrophobicContact CB-CD1 4.24Å; V168-L292 HydrophobicContact CG1-CD1 3.78Å; V168-L292 HydrophobicContact CG2-CD1 3.64Å; I171-L292 HydrophobicContact CD1-CD1 3.54Å; I171-L292 HydrophobicContact CD1-CD2 4.14Å; I171-L292 HydrophobicContact CD1-CG 4.46Å; M235-L292 WeakPolarHBondContact CE-O 3.44Å; L238-L292 HydrophobicContact CB-CB 4.26Å; L238-L292 HydrophobicContact CB-CD1 4.03Å; L238-L292 PolarHBondContact O-N 2.86Å; L240-L292 HydrophobicContact CB-CD2 4.44Å; L292-P294 WeakPolarHBondContact O-CD 3.3Å; L292-Q306 PolarHBondContact O-NE2 3.39Å; L292-T310 HydrophobicContact CB-CG2 4.38Å; L292-T310 HydrophobicContact CD1-CG2 4.41Å | ||
| 293 | V | 76.8 | Confident | 64.3 | Low | 20 Ų | 20 | 74.5 Ų | 74.5 | 12% | 0.121 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -69.1 | 126.1 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | M231 K232 M235 S291 E295 | M231-V293 HydrophobicContact CE-CG1 4.07Å; K232-V293 HydrophobicContact CB-CG1 4.35Å; M235-V293 HydrophobicContact CB-CG2 3.82Å; S291-V293 VanDerWaalsContact C-N 3.29Å; S291-V293 WeakPolarHBondContact OG-CG2 3.45Å; S291-V293 PolarHBondContact OG-N 3.28Å; V293-E295 PolarHBondContact O-N 2.92Å |
| 294 | P | 74.7 | Confident | 67.1 | Low | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 132.7 | 175.2 | -20 | 27.8 | 0 | 0 | 0 | 112.4 | Q228 M231 L292 K303 Q306 L307 | Q228-P294 PolarHBondContact NE2-O 3.47Å; M231-P294 HydrophobicContact CE-CB 3.94Å; M231-P294 HydrophobicContact CE-CG 3.92Å; M231-P294 HydrophobicContact SD-CB 4.41Å; M231-P294 HydrophobicContact SD-CG 3.79Å; L292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-K303 HydrophobicContact CB-CB 4.14Å; P294-K303 HydrophobicContact CB-CG 3.85Å; P294-Q306 HydrophobicContact CG-CB 4.37Å; P294-Q306 HydrophobicContact CG-CG 4.2Å; P294-L307 HydrophobicContact CG-CD2 4.04Å; P294-L307 HydrophobicContact CG-CG 4Å |
| 295 | E | 75.8 | Confident | 69.9 | Low | 128 Ų | 128 | 66.6 Ų | 66.6 | 60% | 0.598 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 142.3 | 178.4 | -63.1 | -176 | 174 | 0 | 0 | 111.2 | V293 S297 L298 K303 | V293-E295 PolarHBondContact O-N 2.92Å; E295-S297 PolarHBondContact O-N 3.5Å; E295-L298 HydrophobicContact CB-CD1 3.99Å; E295-L298 HydrophobicContact CB-CG 4.06Å; E295-L298 WeakPolarHBondContact O-CB 3.34Å; E295-L298 PolarHBondContact O-N 3.25Å; E295-L298 VanDerWaalsContact O-N 3.15Å; E295-K303 WeakPolarHBondContact O-CE 3.29Å |
| 296 | A | 70.1 | Confident | 72.5 | Confident | 68 Ų | 68 | 62.2 Ų | 62.2 | 56% | 0.562 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q228 L298 K303 | Q228-A296 HydrophobicContact CG-CB 4.31Å; A296-L298 VanDerWaalsContact C-N 3.32Å; A296-L298 PolarHBondContact O-N 3.24Å; A296-K303 PolarHBondContact O-NZ 3.19Å |
| 297 | S | 74.3 | Confident | 75 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -16.7 | 178.3 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | E295 | E295-S297 PolarHBondContact O-N 3.5Š|
| 298 | L | 79.7 | Confident | 77.4 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -71.2 | 143.7 | -175.5 | -72.3 | 168.7 | 0 | 0 | 0 | 112.1 | E295 A296 A302 K303 | E295-L298 HydrophobicContact CB-CD1 3.99Å; E295-L298 HydrophobicContact CB-CG 4.06Å; E295-L298 WeakPolarHBondContact O-CB 3.34Å; E295-L298 PolarHBondContact O-N 3.25Å; E295-L298 VanDerWaalsContact O-N 3.15Å; A296-L298 VanDerWaalsContact C-N 3.32Å; A296-L298 PolarHBondContact O-N 3.24Å; L298-A302 HydrophobicContact CB-CB 4.29Å; L298-A302 HydrophobicContact CD2-CB 4.29Å; L298-K303 HydrophobicContact CB-CD 4.5Å; L298-K303 HydrophobicContact CB-CG 3.77Å; L298-K303 WeakPolarHBondContact O-CE 3.34Å; L298-K303 PolarHBondContact O-NZ 2.92Å; L298-K303 VanDerWaalsContact O-NZ 3.12Å |
| 299 | P | 85.2 | Confident | 79.8 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 59% | 0.591 | 30% | 0.302 | S | S | * | . | trans | -55.6 | 150.1 | 168.5 | -23.4 | 32.8 | 0 | 0 | 0 | 111.7 | Q301 A302 K303 | P299-Q301 PolarHBondContact O-N 2.83Å; P299-A302 PolarHBondContact O-N 3.45Å; P299-K303 PolarHBondContact O-N 3.3Å | ||
| 300 | A | 84.6 | Confident | 81.4 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.5 | -38.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L217 E218 K303 A304 | L217-A300 HydrophobicContact CB-CB 4.11Å; E218-A300 HydrophobicContact CG-CB 3.43Å; E218-A300 VanDerWaalsContact CG-CB 3.43Å; A300-K303 PolarHBondContact O-N 3.49Å; A300-A304 WeakPolarHBondContact O-CB 3.27Å; A300-A304 PolarHBondContact O-N 3.37Å |
| 301 | Q | 87.6 | Confident | 82.9 | Confident | 122 Ų | 122 | 45.2 Ų | 45.2 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.9 | -40.4 | 175.9 | -170 | 177 | 6.7 | 0 | 0 | 113.2 | L210 S214 P299 A304 Y305 | L210-Q301 HydrophobicContact CD1-CG 4.44Å; L210-Q301 HydrophobicContact CD2-CG 4.49Å; L210-Q301 HydrophobicContact CG-CG 4.5Å; S214-Q301 WeakPolarHBondContact OG-CA 3.3Å; P299-Q301 PolarHBondContact O-N 2.83Å; Q301-A304 PolarHBondContact O-N 3.38Å; Q301-Y305 PolarHBondContact O-N 3.37Å |
| 302 | A | 86.4 | Confident | 84 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.7 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L298 P299 A304 Y305 Q306 | L298-A302 HydrophobicContact CB-CB 4.29Å; L298-A302 HydrophobicContact CD2-CB 4.29Å; P299-A302 PolarHBondContact O-N 3.45Å; A302-A304 VanDerWaalsContact C-N 3.35Å; A302-A304 PolarHBondContact O-N 3.38Å; A302-Y305 PolarHBondContact O-N 3.48Å; A302-Q306 WeakPolarHBondContact O-CB 3.47Å; A302-Q306 PolarHBondContact O-N 3.32Å |
| 303 | K | 87 | Confident | 84.7 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 172.6 | -67.6 | 176.4 | 174.4 | 157.2 | 0 | 111.6 | L217 P294 E295 A296 L298 P299 A300 Q306 L307 | L217-K303 HydrophobicContact CD1-CB 3.9Å; P294-K303 HydrophobicContact CB-CB 4.14Å; P294-K303 HydrophobicContact CB-CG 3.85Å; E295-K303 WeakPolarHBondContact O-CE 3.29Å; A296-K303 PolarHBondContact O-NZ 3.19Å; L298-K303 HydrophobicContact CB-CD 4.5Å; L298-K303 HydrophobicContact CB-CG 3.77Å; L298-K303 WeakPolarHBondContact O-CE 3.34Å; L298-K303 PolarHBondContact O-NZ 2.92Å; L298-K303 VanDerWaalsContact O-NZ 3.12Å; P299-K303 PolarHBondContact O-N 3.3Å; A300-K303 PolarHBondContact O-N 3.49Å; K303-Q306 PolarHBondContact O-N 2.85Å; K303-L307 WeakPolarHBondContact O-CG 3.18Å; K303-L307 PolarHBondContact O-N 2.96Å |
| 304 | A | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L210 L213 S214 L217 A300 Q301 A302 Q306 L307 L308 | L210-A304 HydrophobicContact CD1-CB 3.81Å; L213-A304 HydrophobicContact CB-CB 4.04Å; L213-A304 HydrophobicContact CD2-CB 3.98Å; L213-A304 HydrophobicContact CG-CB 3.9Å; S214-A304 WeakPolarHBondContact OG-CB 3.41Å; L217-A304 HydrophobicContact CD1-CB 3.87Å; A300-A304 WeakPolarHBondContact O-CB 3.27Å; A300-A304 PolarHBondContact O-N 3.37Å; Q301-A304 PolarHBondContact O-N 3.38Å; A302-A304 VanDerWaalsContact C-N 3.35Å; A302-A304 PolarHBondContact O-N 3.38Å; A304-Q306 PolarHBondContact O-N 2.82Å; A304-L307 PolarHBondContact O-N 2.96Å; A304-L308 WeakPolarHBondContact O-CB 3.22Å; A304-L308 WeakPolarHBondContact O-CD1 3.26Å; A304-L308 WeakPolarHBondContact O-CG 3.49Å; A304-L308 PolarHBondContact O-N 3.49Å |
| 305 | Y | 89.8 | Confident | 85.8 | Confident | 91 Ų | 91 | 40.3 Ų | 40.3 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 178 | -174 | -95.4 | 0 | 0 | 0 | 111.9 | L210 Q301 A302 L307 L308 M309 | L210-Y305 HydrophobicContact CD1-CD2 4.38Å; Q301-Y305 PolarHBondContact O-N 3.37Å; A302-Y305 PolarHBondContact O-N 3.48Å; Y305-L307 PolarHBondContact O-N 3.46Å; Y305-L308 WeakPolarHBondContact O-CB 3.36Å; Y305-L308 PolarHBondContact O-N 2.98Å; Y305-M309 HydrophobicContact CD1-CG 4.07Å; Y305-M309 HydrophobicContact CD2-CE 4.2Å; Y305-M309 HydrophobicContact CE1-CE 4.4Å; Y305-M309 HydrophobicContact CE1-CG 3.62Å; Y305-M309 HydrophobicContact CE1-SD 4.38Å; Y305-M309 HydrophobicContact CE2-CE 3.67Å; Y305-M309 WeakPolarHBondContact O-CG 3.38Å; Y305-M309 PolarHBondContact O-N 3.29Å |
| 306 | Q | 89.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 34.2 Ų | 34.2 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 178.3 | -175.7 | 176.3 | -8.2 | 0 | 0 | 112.2 | L292 P294 A302 K303 A304 L308 M309 T310 | L292-Q306 PolarHBondContact O-NE2 3.39Å; P294-Q306 HydrophobicContact CG-CB 4.37Å; P294-Q306 HydrophobicContact CG-CG 4.2Å; A302-Q306 WeakPolarHBondContact O-CB 3.47Å; A302-Q306 PolarHBondContact O-N 3.32Å; K303-Q306 PolarHBondContact O-N 2.85Å; A304-Q306 PolarHBondContact O-N 2.82Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-L308 PolarHBondContact O-N 2.88Å; Q306-M309 PolarHBondContact O-N 3.34Å; Q306-T310 WeakPolarHBondContact O-CB 3.23Å; Q306-T310 PolarHBondContact O-N 2.89Å; Q306-T310 PolarHBondContact O-OG1 3.5Å |
| 307 | L | 88.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -73.3 | 172.7 | 0 | 0 | 0 | 111.8 | L213 L217 M231 M235 P294 K303 A304 Y305 T310 Y311 I350 V354 | L213-L307 HydrophobicContact CD2-CB 4.12Å; L213-L307 HydrophobicContact CD2-CD1 4.44Å; L217-L307 HydrophobicContact CD1-CD1 4.21Å; M231-L307 HydrophobicContact SD-CD1 4.25Å; M231-L307 HydrophobicContact SD-CD2 4.04Å; M235-L307 HydrophobicContact CE-CD2 3.84Å; M235-L307 HydrophobicContact SD-CD2 3.51Å; M235-L307 VanDerWaalsContact SD-CD2 3.51Å; P294-L307 HydrophobicContact CG-CD2 4.04Å; P294-L307 HydrophobicContact CG-CG 4Å; K303-L307 WeakPolarHBondContact O-CG 3.18Å; K303-L307 PolarHBondContact O-N 2.96Å; A304-L307 PolarHBondContact O-N 2.96Å; Y305-L307 PolarHBondContact O-N 3.46Å; L307-T310 PolarHBondContact O-N 3.44Å; L307-Y311 HydrophobicContact CD2-CE2 4.36Å; L307-Y311 WeakPolarHBondContact O-CD2 3.13Å; L307-Y311 PolarHBondContact O-N 3.33Å; L307-I350 HydrophobicContact CB-CD1 4.41Å; L307-I350 HydrophobicContact CB-CG2 4.13Å; L307-I350 HydrophobicContact CD1-CG2 4.16Å; L307-V354 HydrophobicContact CD2-CG1 4.26Å |
| 308 | L | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 178.3 | -77.1 | 168.8 | 0 | 0 | 0 | 112 | M206 C209 L210 L213 A304 Y305 Q306 S312 L346 I350 | M206-L308 HydrophobicContact CE-CB 3.55Å; M206-L308 HydrophobicContact CE-CD1 4.49Å; M206-L308 HydrophobicContact CE-CD2 4.1Å; M206-L308 HydrophobicContact CE-CG 4.23Å; M206-L308 HydrophobicContact CG-CB 4.5Å; M206-L308 HydrophobicContact CG-CD1 3.9Å; M206-L308 HydrophobicContact SD-CB 4Å; M206-L308 HydrophobicContact SD-CD1 3.84Å; M206-L308 HydrophobicContact SD-CD2 3.67Å; M206-L308 HydrophobicContact SD-CG 4.04Å; C209-L308 HydrophobicContact CB-CD1 4.42Å; C209-L308 HydrophobicContact CB-CD2 4.08Å; L210-L308 HydrophobicContact CB-CD1 3.97Å; L210-L308 HydrophobicContact CD1-CD1 3.94Å; L213-L308 HydrophobicContact CD2-CD1 4.19Å; L213-L308 HydrophobicContact CD2-CD2 4.16Å; L213-L308 HydrophobicContact CD2-CG 3.76Å; A304-L308 WeakPolarHBondContact O-CB 3.22Å; A304-L308 WeakPolarHBondContact O-CD1 3.26Å; A304-L308 WeakPolarHBondContact O-CG 3.49Å; A304-L308 PolarHBondContact O-N 3.49Å; Y305-L308 WeakPolarHBondContact O-CB 3.36Å; Y305-L308 PolarHBondContact O-N 2.98Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-L308 PolarHBondContact O-N 2.88Å; L308-S312 WeakPolarHBondContact O-CB 3.17Å; L308-S312 PolarHBondContact O-N 2.95Å; L308-S312 VanDerWaalsContact O-N 3.16Å; L308-L346 HydrophobicContact CD2-CD2 3.74Å; L308-L346 HydrophobicContact CD2-CG 3.77Å; L308-I350 HydrophobicContact CD2-CD1 3.58Å; L308-I350 HydrophobicContact CG-CD1 4.1Å |
| 309 | M | 91.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 173.3 | -66.2 | -52.5 | 114.7 | 0 | 0 | 111.4 | I171 E175 M178 M206 Y305 Q306 Y311 S312 | I171-M309 HydrophobicContact CG2-CB 4Å; E175-M309 HydrophobicContact CG-CB 4.36Å; E175-M309 HydrophobicContact CG-CG 3.91Å; E175-M309 HydrophobicContact CG-SD 4.15Å; M178-M309 HydrophobicContact CB-CE 4.47Å; M178-M309 HydrophobicContact CG-CE 3.7Å; M178-M309 HydrophobicContact CG-SD 3.77Å; M178-M309 HydrophobicContact SD-CE 4.43Å; M206-M309 HydrophobicContact CE-CE 3.64Å; Y305-M309 HydrophobicContact CD1-CG 4.07Å; Y305-M309 HydrophobicContact CD2-CE 4.2Å; Y305-M309 HydrophobicContact CE1-CE 4.4Å; Y305-M309 HydrophobicContact CE1-CG 3.62Å; Y305-M309 HydrophobicContact CE1-SD 4.38Å; Y305-M309 HydrophobicContact CE2-CE 3.67Å; Y305-M309 WeakPolarHBondContact O-CG 3.38Å; Y305-M309 PolarHBondContact O-N 3.29Å; Q306-M309 PolarHBondContact O-N 3.34Å; M309-Y311 VanDerWaalsContact C-N 3.32Å; M309-Y311 PolarHBondContact O-N 2.99Å; M309-S312 WeakPolarHBondContact O-CB 3.37Å; M309-S312 PolarHBondContact O-N 3.3Å; M309-S312 PolarHBondContact O-OG 3.32Å |
| 310 | T | 87.8 | Confident | 88.1 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.5 | -39.8 | -177 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | I171 M235 L238 L292 Q306 L307 | I171-T310 HydrophobicContact CD1-CG2 4.08Å; M235-T310 HydrophobicContact CE-CG2 3.84Å; L238-T310 HydrophobicContact CD1-CG2 3.78Å; L292-T310 HydrophobicContact CB-CG2 4.38Å; L292-T310 HydrophobicContact CD1-CG2 4.41Å; Q306-T310 WeakPolarHBondContact O-CB 3.23Å; Q306-T310 PolarHBondContact O-N 2.89Å; Q306-T310 PolarHBondContact O-OG1 3.5Å; L307-T310 PolarHBondContact O-N 3.44Å |
| 311 | Y | 87.7 | Confident | 87.9 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 9% | 0.094 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -96.1 | 0.5 | -178.3 | -74.3 | -80.3 | 0 | 0 | 0 | 114.1 | M235 L307 M309 Y315 Y349 I350 V354 | M235-Y311 HydrophobicContact CE-CE2 4.31Å; L307-Y311 HydrophobicContact CD2-CE2 4.36Å; L307-Y311 WeakPolarHBondContact O-CD2 3.13Å; L307-Y311 PolarHBondContact O-N 3.33Å; M309-Y311 VanDerWaalsContact C-N 3.32Å; M309-Y311 PolarHBondContact O-N 2.99Å; Y311-Y315 WeakPolarHBondContact O-CB 3.31Å; Y311-Y315 PolarHBondContact O-N 3.42Å; Y311-Y349 AromaticContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CE1-CE1 4.48Å; Y311-Y349 HydrophobicContact CG-CE1 4.46Å; Y311-I350 HydrophobicContact CD2-CG1 4.04Å; Y311-I350 HydrophobicContact CG-CG1 4.15Å; Y311-V354 HydrophobicContact CD2-CG2 4.37Å; Y311-V354 HydrophobicContact CE2-CG2 3.49Å; Y311-V354 VanDerWaalsContact CE2-CG2 3.49Å; Y311-V354 WeakPolarHBondContact OH-CG2 3.36Å |
| 312 | S | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.2 | -53.5 | -176.2 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | N174 L308 M309 Y315 V316 | N174-S312 PolarHBondContact ND2-OG 3.5Å; L308-S312 WeakPolarHBondContact O-CB 3.17Å; L308-S312 PolarHBondContact O-N 2.95Å; L308-S312 VanDerWaalsContact O-N 3.16Å; M309-S312 WeakPolarHBondContact O-CB 3.37Å; M309-S312 PolarHBondContact O-N 3.3Å; M309-S312 PolarHBondContact O-OG 3.32Å; S312-Y315 PolarHBondContact O-N 3.47Å; S312-V316 WeakPolarHBondContact O-CG2 3.43Å; S312-V316 PolarHBondContact O-N 2.66Å |
| 313 | A | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -47 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D167 L170 Y315 V316 K317 | D167-A313 HydrophobicContact CB-CB 4.28Å; L170-A313 HydrophobicContact CB-CB 3.64Å; L170-A313 HydrophobicContact CD1-CB 3.96Å; L170-A313 HydrophobicContact CG-CB 4.48Å; A313-Y315 VanDerWaalsContact C-N 3.29Å; A313-Y315 PolarHBondContact O-N 3.44Å; A313-V316 PolarHBondContact O-N 2.86Å; A313-K317 PolarHBondContact O-N 2.87Å |
| 314 | A | 86.6 | Confident | 85.8 | Confident | 19 Ų | 19 | 33 Ų | 33 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K317 L318 | A314-K317 PolarHBondContact O-N 3.43Å; A314-L318 WeakPolarHBondContact O-CG 3.38Å; A314-L318 PolarHBondContact O-N 2.87Å |
| 315 | Y | 88.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -43.5 | 175.9 | 179.5 | -97.6 | 0 | 0 | 0 | 112.2 | M183 W204 Y311 S312 A313 K317 L318 L319 L324 V344 L346 Y349 | M183-Y315 HydrophobicContact CE-CD1 4.24Å; W204-Y315 HydrophobicContact CE3-CE1 4.46Å; W204-Y315 HydrophobicContact CH2-CD1 4.49Å; W204-Y315 AromaticContact CH2-CE1 3.46Å; W204-Y315 HydrophobicContact CH2-CE1 3.46Å; W204-Y315 VanDerWaalsContact CH2-CE1 3.46Å; W204-Y315 AromaticContact CH2-CZ 3.81Å; W204-Y315 HydrophobicContact CZ2-CE1 4.22Å; W204-Y315 AromaticContact CZ3-CE1 3.61Å; W204-Y315 HydrophobicContact CZ3-CE1 3.61Å; Y311-Y315 WeakPolarHBondContact O-CB 3.31Å; Y311-Y315 PolarHBondContact O-N 3.42Å; S312-Y315 PolarHBondContact O-N 3.47Å; A313-Y315 VanDerWaalsContact C-N 3.29Å; A313-Y315 PolarHBondContact O-N 3.44Å; Y315-K317 VanDerWaalsContact C-N 3.29Å; Y315-K317 PolarHBondContact O-N 2.9Å; Y315-L318 PolarHBondContact O-N 2.72Å; Y315-L319 HydrophobicContact CE1-CD2 4.27Å; Y315-L319 VanDerWaalsContact O-CB 3.24Å; Y315-L319 WeakPolarHBondContact O-CB 3.25Å; Y315-L319 PolarHBondContact O-N 3.05Å; Y315-L324 HydrophobicContact CD2-CD1 4.17Å; Y315-L324 HydrophobicContact CD2-CD2 4.03Å; Y315-L324 HydrophobicContact CE2-CD1 3.53Å; Y315-L324 HydrophobicContact CE2-CD2 3.92Å; Y315-L324 HydrophobicContact CE2-CG 4.41Å; Y315-V344 PolarHBondContact OH-O 2.79Å; Y315-L346 VanDerWaalsContact CB-CD1 3.47Å; Y315-L346 HydrophobicContact CD1-CB 4.06Å; Y315-L346 HydrophobicContact CD1-CD1 4.1Å; Y315-L346 HydrophobicContact CD2-CB 4.26Å; Y315-L346 HydrophobicContact CD2-CD1 3.93Å; Y315-L346 HydrophobicContact CE1-CB 4.07Å; Y315-L346 HydrophobicContact CE2-CB 4.27Å; Y315-L346 HydrophobicContact CG-CB 4.16Å; Y315-L346 HydrophobicContact CG-CD1 3.56Å; Y315-L346 HydrophobicContact CG-CG 4.39Å; Y315-Y349 HydrophobicContact CD2-CD1 4.46Å; Y315-Y349 HydrophobicContact CD2-CG 4.23Å |
| 316 | V | 89.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | M183 V202 S312 A313 L318 L319 M320 | M183-V316 HydrophobicContact CB-CG2 3.69Å; M183-V316 HydrophobicContact CE-CG2 3.91Å; V202-V316 HydrophobicContact CB-CG2 4.37Å; V202-V316 HydrophobicContact CG2-CG1 3.77Å; V202-V316 HydrophobicContact CG2-CG2 4.25Å; S312-V316 WeakPolarHBondContact O-CG2 3.43Å; S312-V316 PolarHBondContact O-N 2.66Å; A313-V316 PolarHBondContact O-N 2.86Å; V316-L318 PolarHBondContact O-N 2.82Å; V316-L319 WeakPolarHBondContact O-CB 3.41Å; V316-L319 PolarHBondContact O-N 2.92Å; V316-M320 HydrophobicContact CG1-CG 4.18Å; V316-M320 VanDerWaalsContact O-CG 3.29Å; V316-M320 WeakPolarHBondContact O-CG 3.28Å; V316-M320 PolarHBondContact O-N 3.27Å |
| 317 | K | 87.9 | Confident | 79.6 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.7 | -49.4 | 175.2 | 179 | 170.7 | -169.8 | 163.7 | 0 | 111.9 | N163 V186 A187 D188 A313 A314 Y315 L319 S321 | N163-K317 PolarHBondContact ND2-NZ 2.99Å; N163-K317 PolarHBondContact OD1-NZ 2.71Å; V186-K317 WeakPolarHBondContact O-CD 3.24Å; A187-K317 HydrophobicContact CB-CB 4.35Å; A187-K317 HydrophobicContact CB-CG 3.86Å; D188-K317 IonicContact OD2-NZ 3.66Å; D188-K317 PolarHBondContact OD2-NZ 3.37Å; A313-K317 PolarHBondContact O-N 2.87Å; A314-K317 PolarHBondContact O-N 3.43Å; Y315-K317 VanDerWaalsContact C-N 3.29Å; Y315-K317 PolarHBondContact O-N 2.9Å; K317-L319 VanDerWaalsContact C-N 3.34Å; K317-S321 VanDerWaalsContact O-CB 3.28Å; K317-S321 WeakPolarHBondContact O-CB 3.25Å; K317-S321 PolarHBondContact O-N 3.48Å; K317-S321 PolarHBondContact O-OG 3.31Å |
| 318 | L | 84.7 | Confident | 77.3 | Confident | 43 Ų | 43 | 40.9 Ų | 40.9 | 23% | 0.225 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | 179.4 | -69.6 | 172.9 | 0 | 0 | 0 | 112.6 | A314 Y315 V316 E322 R323 L324 Y349 | A314-L318 WeakPolarHBondContact O-CG 3.38Å; A314-L318 PolarHBondContact O-N 2.87Å; Y315-L318 PolarHBondContact O-N 2.72Å; V316-L318 PolarHBondContact O-N 2.82Å; L318-E322 PolarHBondContact O-N 2.83Å; L318-R323 HydrophobicContact CD2-CB 3.86Å; L318-R323 PolarHBondContact O-N 2.68Å; L318-L324 HydrophobicContact CB-CD2 3.64Å; L318-L324 HydrophobicContact CB-CG 3.82Å; L318-L324 HydrophobicContact CD1-CD2 4.12Å; L318-L324 PolarHBondContact O-N 3.49Å; L318-Y349 HydrophobicContact CD1-CE2 3.61Å; L318-Y349 WeakPolarHBondContact CD1-OH 3.09Å |
| 319 | L | 86 | Confident | 75 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -51.2 | 177.5 | 178.2 | 64.7 | 0 | 0 | 0 | 111 | V202 Y315 V316 K317 S321 E322 L324 T341 A342 | V202-L319 HydrophobicContact CG1-CD2 4.05Å; Y315-L319 HydrophobicContact CE1-CD2 4.27Å; Y315-L319 VanDerWaalsContact O-CB 3.24Å; Y315-L319 WeakPolarHBondContact O-CB 3.25Å; Y315-L319 PolarHBondContact O-N 3.05Å; V316-L319 WeakPolarHBondContact O-CB 3.41Å; V316-L319 PolarHBondContact O-N 2.92Å; K317-L319 VanDerWaalsContact C-N 3.34Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.07Å; L319-E322 PolarHBondContact O-N 3.07Å; L319-L324 HydrophobicContact CB-CD1 3.81Å; L319-L324 HydrophobicContact CD1-CD1 3.84Å; L319-L324 HydrophobicContact CG-CD1 4.45Å; L319-T341 HydrophobicContact CD1-CG2 4.48Å; L319-A342 HydrophobicContact CD1-CB 3.36Å |
| 320 | M | 85.3 | Confident | 72.6 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.4 | -25.5 | -177.5 | -62.1 | -69 | 121.6 | 0 | 0 | 112.7 | C44 Y200 V202 V316 E322 | C44-M320 HydrophobicContact CB-CE 4.04Å; C44-M320 HydrophobicContact CB-SD 3.92Å; Y200-M320 HydrophobicContact CD1-CB 4.16Å; Y200-M320 HydrophobicContact CD1-CG 3.7Å; Y200-M320 HydrophobicContact CD1-SD 3.58Å; Y200-M320 VanDerWaalsContact CD1-SD 3.58Å; Y200-M320 HydrophobicContact CD2-CB 3.9Å; Y200-M320 HydrophobicContact CD2-CG 3.87Å; Y200-M320 HydrophobicContact CE1-CB 4.17Å; Y200-M320 HydrophobicContact CE1-CG 4.19Å; Y200-M320 HydrophobicContact CE1-SD 4.05Å; Y200-M320 HydrophobicContact CE2-CB 3.9Å; Y200-M320 HydrophobicContact CE2-CG 4.33Å; Y200-M320 HydrophobicContact CG-CB 4.01Å; Y200-M320 HydrophobicContact CG-CG 3.51Å; Y200-M320 HydrophobicContact CG-SD 3.99Å; V202-M320 HydrophobicContact CG2-CE 3.51Å; V202-M320 HydrophobicContact CG2-SD 4.24Å; V316-M320 HydrophobicContact CG1-CG 4.18Å; V316-M320 VanDerWaalsContact O-CG 3.29Å; V316-M320 WeakPolarHBondContact O-CG 3.28Å; V316-M320 PolarHBondContact O-N 3.27Å; M320-E322 VanDerWaalsContact C-N 3.26Å; M320-E322 PolarHBondContact O-N 2.86Å |
| 321 | S | 79.6 | Confident | 70.2 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1.9 | 174.2 | -51.4 | 0 | 0 | 0 | 0 | 113.5 | K317 L319 R323 | K317-S321 VanDerWaalsContact O-CB 3.28Å; K317-S321 WeakPolarHBondContact O-CB 3.25Å; K317-S321 PolarHBondContact O-N 3.48Å; K317-S321 PolarHBondContact O-OG 3.31Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.07Å; S321-R323 WeakPolarHBondContact O-CG 3.35Å; S321-R323 PolarHBondContact O-N 3.41Å; S321-R323 VanDerWaalsContact O-N 3.07Å |
| 322 | E | 77.3 | Confident | 68.1 | Low | 174 Ų | 174 | 77.5 Ų | 77.5 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 23.4 | -172.1 | -57.1 | -173.6 | 179.9 | 0 | 0 | 114.2 | L318 L319 M320 | L318-E322 PolarHBondContact O-N 2.83Å; L319-E322 PolarHBondContact O-N 3.07Å; M320-E322 VanDerWaalsContact C-N 3.26Å; M320-E322 PolarHBondContact O-N 2.86Å |
| 323 | R | 71.6 | Confident | 66 | Low | 175 Ų | 175 | 85.6 Ų | 85.6 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | trans | -91.2 | 3.3 | -177.2 | -67.8 | -177.1 | -174.6 | -173.1 | 1.7 | 113.5 | L318 S321 A325 | L318-R323 HydrophobicContact CD2-CB 3.86Å; L318-R323 PolarHBondContact O-N 2.68Å; S321-R323 WeakPolarHBondContact O-CG 3.35Å; S321-R323 PolarHBondContact O-N 3.41Å; S321-R323 VanDerWaalsContact O-N 3.07Å; R323-A325 PolarHBondContact O-N 2.92Å | ||
| 324 | L | 68.6 | Low | 64 | Low | 17 Ų | 17 | 88.6 Ų | 88.6 | 9% | 0.089 | 44% | 0.438 | C | S | . | . | trans | -73.6 | 81.1 | 168.3 | -68.2 | 174.2 | 0 | 0 | 0 | 108.7 | Y315 L318 L319 G326 A342 P343 Y349 | Y315-L324 HydrophobicContact CD2-CD1 4.17Å; Y315-L324 HydrophobicContact CD2-CD2 4.03Å; Y315-L324 HydrophobicContact CE2-CD1 3.53Å; Y315-L324 HydrophobicContact CE2-CD2 3.92Å; Y315-L324 HydrophobicContact CE2-CG 4.41Å; L318-L324 HydrophobicContact CB-CD2 3.64Å; L318-L324 HydrophobicContact CB-CG 3.82Å; L318-L324 HydrophobicContact CD1-CD2 4.12Å; L318-L324 PolarHBondContact O-N 3.49Å; L319-L324 HydrophobicContact CB-CD1 3.81Å; L319-L324 HydrophobicContact CD1-CD1 3.84Å; L319-L324 HydrophobicContact CG-CD1 4.45Å; L324-G326 PolarHBondContact O-N 3.32Å; L324-A342 HydrophobicContact CD1-CB 3.67Å; L324-P343 WeakPolarHBondContact O-CG 3.39Å; L324-Y349 HydrophobicContact CD2-CD2 4.22Å | ||
| 325 | A | 48.9 | Very low | 62.4 | Low | 93 Ų | 93 | 95.9 Ų | 95.9 | 77% | 0.769 | 47% | 0.474 | S | S | * | . | trans | -55.3 | 109.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R323 | R323-A325 PolarHBondContact O-N 2.92Š| ||
| 326 | G | 48.3 | Very low | 61 | Low | 27 Ų | 27 | 104.8 Ų | 104.8 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | trans | -108.2 | 153.8 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | L324 S328 | L324-G326 PolarHBondContact O-N 3.32Å; G326-S328 PolarHBondContact O-N 2.93Å | ||
| 327 | P | 41.5 | Very low | 60.2 | Low | 96 Ų | 96 | 105.8 Ų | 105.8 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | trans | -52 | 137.7 | 169 | 24.1 | -31.6 | 0 | 0 | 0 | 108.5 | ||||
| 328 | S | 39.5 | Very low | 59.9 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | trans | -40.7 | 151.3 | 178.7 | 54 | 0 | 0 | 0 | 0 | 111.6 | G326 H330 R331 | G326-S328 PolarHBondContact O-N 2.93Å; S328-H330 PolarHBondContact O-N 3.43Å; S328-R331 PolarHBondContact O-N 3.36Å | ||
| 329 | R | 42.8 | Very low | 59.8 | Low | 253 Ų | 253 | 104.5 Ų | 104.5 | 96% | 0.955 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 10.3 | -174 | -66.6 | -179.5 | 173 | -179.1 | -2.1 | 117.2 | ||
| 330 | H | 40 | Very low | 59.4 | Low | 177 Ų | 177 | 107.3 Ų | 107.3 | 82% | 0.819 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | 1.2 | -175.4 | -65 | -34.9 | 0 | 0 | 0 | 116.3 | S328 | S328-H330 PolarHBondContact O-N 3.43Š|
| 331 | R | 38.8 | Very low | 59 | Low | 204 Ų | 204 | 109.8 Ų | 109.8 | 77% | 0.77 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -110.2 | 113.2 | 164.5 | -85.4 | -165.8 | -168.9 | -147 | 3.9 | 111.1 | S328 R333 | S328-R331 PolarHBondContact O-N 3.36Å; R331-R333 PolarHBondContact O-N 2.93Å |
| 332 | L | 42.6 | Very low | 58.9 | Low | 169 Ų | 169 | 109.2 Ų | 109.2 | 89% | 0.885 | 54% | 0.539 | S | S | * | . | trans | 14 | 95.6 | 158.7 | -71.1 | 150.2 | 0 | 0 | 0 | 113.5 | ||||
| 333 | R | 47.9 | Very low | 58.8 | Low | 169 Ų | 169 | 103.8 Ų | 103.8 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | trans | -40.6 | 125.3 | 165.2 | -169.5 | -179.3 | -163.6 | 153.4 | 9 | 107.5 | R331 L335 S337 | R331-R333 PolarHBondContact O-N 2.93Å; R333-L335 PolarHBondContact O-N 2.88Å; R333-L335 VanDerWaalsContact O-N 3.12Å; R333-S337 PolarHBondContact NE-OG 3.24Å; R333-S337 VanDerWaalsContact NE-OG 3.08Å | ||
| 334 | P | 48.9 | Very low | 59.4 | Low | 63 Ų | 63 | 96.9 Ų | 96.9 | 41% | 0.409 | 50% | 0.496 | S | S | . | . | trans | -50.8 | 128.8 | 173.3 | -22.4 | 30.6 | 0 | 0 | 0 | 107.3 | R336 S337 | P334-R336 PolarHBondContact O-N 3.37Å; P334-S337 PolarHBondContact O-N 3.38Å | ||
| 335 | L | 52 | Low | 60.4 | Low | 172 Ų | 172 | 96.1 Ų | 96.1 | 90% | 0.901 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -7.6 | -166.1 | -165.9 | 63.1 | 0 | 0 | 0 | 114.5 | R333 | R333-L335 PolarHBondContact O-N 2.88Å; R333-L335 VanDerWaalsContact O-N 3.12Å |
| 336 | R | 60.3 | Low | 62.3 | Low | 187 Ų | 187 | 91.7 Ų | 91.7 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.5 | 65.7 | 178.9 | -62.3 | -177.5 | -177.4 | 166.7 | -2.2 | 112.6 | M212 P334 Q348 | M212-R336 HydrophobicContact CE-CB 4.39Å; P334-R336 PolarHBondContact O-N 3.37Å; R336-Q348 PolarHBondContact O-NE2 3.27Å |
| 337 | S | 70.9 | Confident | 64.2 | Low | 22 Ų | 22 | 90.5 Ų | 90.5 | 15% | 0.154 | 44% | 0.443 | C | S | . | . | trans | -81.4 | 114 | 165.9 | 64.8 | 0 | 0 | 0 | 0 | 109.6 | R333 P334 C339 | R333-S337 PolarHBondContact NE-OG 3.24Å; R333-S337 VanDerWaalsContact NE-OG 3.08Å; P334-S337 PolarHBondContact O-N 3.38Å; S337-C339 PolarHBondContact O-N 2.72Å; S337-C339 PolarHBondContact OG-O 2.95Å | ||
| 338 | H | 82.2 | Confident | 66.4 | Low | 41 Ų | 41 | 87.7 Ų | 87.7 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -76.5 | -2.3 | 175.4 | -43.3 | 137.1 | 0 | 0 | 0 | 113.3 | N41 C208 M212 | N41-H338 WeakPolarHBondContact CB-O 3.35Å; N41-H338 PolarHBondContact ND2-O 3.1Å; C208-H338 HydrophobicContact CB-CB 4.35Å; C208-H338 PolarHBondContact O-CE1 2.86Å; C208-H338 VanDerWaalsContact O-CE1 3.24Å; M212-H338 WeakPolarHBondContact CE-CE1 3.17Å; M212-H338 WeakPolarHBondContact CE-NE2 3.37Å |
| 339 | C | 81.9 | Confident | 68.6 | Low | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -100.8 | 134.2 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | N41 W204 S337 A342 C345 | N41-C339 PolarHBondContact O-SG 2.71Å; W204-C339 HydrophobicContact CH2-CB 3.82Å; W204-C339 HydrophobicContact CZ3-CB 4.17Å; S337-C339 PolarHBondContact O-N 2.72Å; S337-C339 PolarHBondContact OG-O 2.95Å; C339-A342 PolarHBondContact SG-N 3.41Å; C339-C345 HydrophobicContact CB-CB 4.29Å | ||
| 340 | T | 78.5 | Confident | 70.7 | Confident | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -88.7 | -27.6 | 176 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | T40 N41 | T40-T340 HydrophobicContact CG2-CG2 4.34Å; T40-T340 PolarHBondContact OG1-OG1 3.12Å; N41-T340 PolarHBondContact O-N 3.14Å; N41-T340 VanDerWaalsContact O-N 3.09Å; N41-T340 PolarHBondContact O-OG1 2.98Å |
| 341 | T | 76.8 | Confident | 72.8 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -93.6 | -26.6 | -168.7 | -52.4 | 0 | 0 | 0 | 0 | 113.1 | G42 L319 | G42-T341 PolarHBondContact O-OG1 3.44Å; L319-T341 HydrophobicContact CD1-CG2 4.48Å |
| 342 | A | 78 | Confident | 74.9 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -122.2 | 153.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L319 L324 C339 V344 | L319-A342 HydrophobicContact CD1-CB 3.36Å; L324-A342 HydrophobicContact CD1-CB 3.67Å; C339-A342 PolarHBondContact SG-N 3.41Å; A342-V344 VanDerWaalsContact C-N 3.29Å; A342-V344 PolarHBondContact O-N 3.46Å |
| 343 | P | 75 | Confident | 76.8 | Confident | 60 Ų | 60 | 59 Ų | 59 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -70 | -25.7 | 178.9 | 28.2 | -34.9 | 0 | 0 | 0 | 113.1 | L324 | L324-P343 WeakPolarHBondContact O-CG 3.39Š|
| 344 | V | 83 | Confident | 78.3 | Confident | 31 Ų | 31 | 51 Ų | 51 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -118 | 123.4 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 109 | Y315 A342 Q348 | Y315-V344 PolarHBondContact OH-O 2.79Å; A342-V344 VanDerWaalsContact C-N 3.29Å; A342-V344 PolarHBondContact O-N 3.46Å; V344-Q348 HydrophobicContact CG1-CB 3.84Å |
| 345 | C | 89.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -78.6 | 156.2 | 175.2 | -170 | 0 | 0 | 0 | 0 | 111.4 | C209 C339 C347 Q348 Y349 | C209-C345 PolarHBondContact SG-SG 3.44Å; C339-C345 HydrophobicContact CB-CB 4.29Å; C345-C347 VanDerWaalsContact C-N 3.33Å; C345-C347 PolarHBondContact O-N 2.96Å; C345-Q348 HydrophobicContact CB-CG 4.33Å; C345-Q348 VanDerWaalsContact N-OE1 3.12Å; C345-Q348 WeakPolarHBondContact O-CA 3.09Å; C345-Q348 WeakPolarHBondContact O-CB 3.35Å; C345-Q348 PolarHBondContact O-N 2.92Å; C345-Y349 PolarHBondContact O-N 3.41Å | ||
| 346 | L | 88.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.5 | -45.2 | -179.6 | 176.4 | 61 | 0 | 0 | 0 | 113.4 | M183 W204 M206 L308 Y315 Q348 Y349 I350 | M183-L346 HydrophobicContact SD-CD2 4.14Å; W204-L346 HydrophobicContact CH2-CB 4.17Å; W204-L346 HydrophobicContact CZ2-CB 3.55Å; M206-L346 HydrophobicContact CE-CD2 3.55Å; M206-L346 HydrophobicContact SD-CD2 3.92Å; L308-L346 HydrophobicContact CD2-CD2 3.74Å; L308-L346 HydrophobicContact CD2-CG 3.77Å; Y315-L346 VanDerWaalsContact CB-CD1 3.47Å; Y315-L346 HydrophobicContact CD1-CB 4.06Å; Y315-L346 HydrophobicContact CD1-CD1 4.1Å; Y315-L346 HydrophobicContact CD2-CB 4.26Å; Y315-L346 HydrophobicContact CD2-CD1 3.93Å; Y315-L346 HydrophobicContact CE1-CB 4.07Å; Y315-L346 HydrophobicContact CE2-CB 4.27Å; Y315-L346 HydrophobicContact CG-CB 4.16Å; Y315-L346 HydrophobicContact CG-CD1 3.56Å; Y315-L346 HydrophobicContact CG-CG 4.39Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 2.92Å; L346-Y349 WeakPolarHBondContact O-CB 3.33Å; L346-Y349 PolarHBondContact O-N 3.42Å; L346-I350 HydrophobicContact CD1-CD1 4.03Å; L346-I350 HydrophobicContact CD1-CG1 4.32Å; L346-I350 HydrophobicContact CG-CD1 4.09Å; L346-I350 WeakPolarHBondContact O-CG1 3.37Å; L346-I350 PolarHBondContact O-N 2.89Å |
| 347 | C | 88.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 176.9 | 52 | 0 | 0 | 0 | 0 | 112.9 | C209 M212 L213 C345 K351 | C209-C347 HydrophobicContact CB-CB 3.99Å; M212-C347 HydrophobicContact SD-CB 4.2Å; M212-C347 PolarHBondContact SD-SG 3.19Å; L213-C347 HydrophobicContact CB-CB 4.39Å; C345-C347 VanDerWaalsContact C-N 3.33Å; C345-C347 PolarHBondContact O-N 2.96Å; C347-K351 WeakPolarHBondContact O-CB 3.13Å; C347-K351 PolarHBondContact O-N 3.3Å |
| 348 | Q | 87.6 | Confident | 82.2 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.4 | -40.8 | 175.9 | -66.7 | 172.3 | -17.7 | 0 | 0 | 111 | R336 V344 C345 L346 I350 K351 T352 | R336-Q348 PolarHBondContact O-NE2 3.27Å; V344-Q348 HydrophobicContact CG1-CB 3.84Å; C345-Q348 HydrophobicContact CB-CG 4.33Å; C345-Q348 VanDerWaalsContact N-OE1 3.12Å; C345-Q348 WeakPolarHBondContact O-CA 3.09Å; C345-Q348 WeakPolarHBondContact O-CB 3.35Å; C345-Q348 PolarHBondContact O-N 2.92Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 2.92Å; Q348-I350 VanDerWaalsContact C-N 3.33Å; Q348-I350 PolarHBondContact O-N 2.99Å; Q348-K351 PolarHBondContact O-N 3.47Å; Q348-T352 PolarHBondContact O-N 2.96Å; Q348-T352 PolarHBondContact O-OG1 3.05Å |
| 349 | Y | 87 | Confident | 82.1 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 174.3 | 175.1 | -95.5 | 0 | 0 | 0 | 111 | Y311 Y315 L318 L324 C345 L346 T352 K353 | Y311-Y349 AromaticContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CE1-CE1 4.48Å; Y311-Y349 HydrophobicContact CG-CE1 4.46Å; Y315-Y349 HydrophobicContact CD2-CD1 4.46Å; Y315-Y349 HydrophobicContact CD2-CG 4.23Å; L318-Y349 HydrophobicContact CD1-CE2 3.61Å; L318-Y349 WeakPolarHBondContact CD1-OH 3.09Å; L324-Y349 HydrophobicContact CD2-CD2 4.22Å; C345-Y349 PolarHBondContact O-N 3.41Å; L346-Y349 WeakPolarHBondContact O-CB 3.33Å; L346-Y349 PolarHBondContact O-N 3.42Å; Y349-T352 PolarHBondContact O-N 2.83Å; Y349-K353 HydrophobicContact CD1-CG 4.39Å; Y349-K353 HydrophobicContact CD2-CG 4.09Å; Y349-K353 HydrophobicContact CE1-CB 4.47Å; Y349-K353 HydrophobicContact CE1-CG 4.02Å; Y349-K353 HydrophobicContact CE2-CD 4.39Å; Y349-K353 HydrophobicContact CE2-CG 3.72Å; Y349-K353 HydrophobicContact CG-CG 4.41Å; Y349-K353 VanDerWaalsContact O-CB 3.25Å; Y349-K353 WeakPolarHBondContact O-CB 3.31Å; Y349-K353 WeakPolarHBondContact O-CG 3.47Å; Y349-K353 PolarHBondContact O-N 3.35Å |
| 350 | I | 85.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.9 | -67.3 | 165.5 | 0 | 0 | 0 | 110.8 | L213 L307 L308 Y311 L346 Q348 T352 K353 V354 | L213-I350 HydrophobicContact CD1-CG2 4.06Å; L213-I350 HydrophobicContact CD2-CD1 4.16Å; L213-I350 HydrophobicContact CD2-CG2 4.09Å; L307-I350 HydrophobicContact CB-CD1 4.41Å; L307-I350 HydrophobicContact CB-CG2 4.13Å; L307-I350 HydrophobicContact CD1-CG2 4.16Å; L308-I350 HydrophobicContact CD2-CD1 3.58Å; L308-I350 HydrophobicContact CG-CD1 4.1Å; Y311-I350 HydrophobicContact CD2-CG1 4.04Å; Y311-I350 HydrophobicContact CG-CG1 4.15Å; L346-I350 HydrophobicContact CD1-CD1 4.03Å; L346-I350 HydrophobicContact CD1-CG1 4.32Å; L346-I350 HydrophobicContact CG-CD1 4.09Å; L346-I350 WeakPolarHBondContact O-CG1 3.37Å; L346-I350 PolarHBondContact O-N 2.89Å; Q348-I350 VanDerWaalsContact C-N 3.33Å; Q348-I350 PolarHBondContact O-N 2.99Å; I350-T352 VanDerWaalsContact C-N 3.32Å; I350-T352 PolarHBondContact O-N 3Å; I350-K353 PolarHBondContact O-N 3.01Å; I350-V354 HydrophobicContact CG2-CB 4.3Å; I350-V354 HydrophobicContact CG2-CG2 4.11Å; I350-V354 VanDerWaalsContact O-CB 3.32Å; I350-V354 WeakPolarHBondContact O-CB 3.47Å; I350-V354 PolarHBondContact O-N 3.44Å |
| 351 | K | 84.8 | Confident | 82.4 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -54.4 | -49.2 | 177 | -176 | 173.5 | -175.8 | 160.9 | 0 | 111.3 | T216 C347 Q348 L355 Q356 | T216-K351 HydrophobicContact CG2-CD 4.02Å; T216-K351 HydrophobicContact CG2-CG 4.32Å; C347-K351 WeakPolarHBondContact O-CB 3.13Å; C347-K351 PolarHBondContact O-N 3.3Å; Q348-K351 PolarHBondContact O-N 3.47Å; K351-L355 CarbonylContact O-C 3.6Å; K351-L355 WeakPolarHBondContact O-CA 3.48Å; K351-L355 WeakPolarHBondContact O-CB 3.49Å; K351-L355 PolarHBondContact O-N 3.18Å; K351-L355 VanDerWaalsContact O-N 3.08Å; K351-Q356 PolarHBondContact O-N 3.45Å; K351-Q356 VanDerWaalsContact O-N 3.08Å |
| 352 | T | 83.4 | Confident | 82.8 | Confident | 80 Ų | 80 | 38.8 Ų | 38.8 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -74.2 | -29.3 | -179.1 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | Q348 Y349 I350 | Q348-T352 PolarHBondContact O-N 2.96Å; Q348-T352 PolarHBondContact O-OG1 3.05Å; Y349-T352 PolarHBondContact O-N 2.83Å; I350-T352 VanDerWaalsContact C-N 3.32Å; I350-T352 PolarHBondContact O-N 3Å |
| 353 | K | 80.8 | Confident | 83.1 | Confident | 111 Ų | 111 | 41 Ų | 41 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -89.6 | -28.8 | -177.3 | -75.2 | -70.5 | -175.1 | -178.3 | 0 | 113.9 | R234 Y349 I350 | R234-K353 WeakPolarHBondContact CD-O 3.3Å; R234-K353 PolarHBondContact NH1-O 3.13Å; Y349-K353 HydrophobicContact CD1-CG 4.39Å; Y349-K353 HydrophobicContact CD2-CG 4.09Å; Y349-K353 HydrophobicContact CE1-CB 4.47Å; Y349-K353 HydrophobicContact CE1-CG 4.02Å; Y349-K353 HydrophobicContact CE2-CD 4.39Å; Y349-K353 HydrophobicContact CE2-CG 3.72Å; Y349-K353 HydrophobicContact CG-CG 4.41Å; Y349-K353 VanDerWaalsContact O-CB 3.25Å; Y349-K353 WeakPolarHBondContact O-CB 3.31Å; Y349-K353 WeakPolarHBondContact O-CG 3.47Å; Y349-K353 PolarHBondContact O-N 3.35Å; I350-K353 PolarHBondContact O-N 3.01Å |
| 354 | V | 80.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -114.5 | -39 | -171 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | M231 M235 L307 Y311 I350 | M231-V354 HydrophobicContact CB-CG1 4.09Å; M231-V354 HydrophobicContact CG-CG1 3.68Å; M231-V354 HydrophobicContact SD-CG1 4.43Å; M235-V354 HydrophobicContact SD-CG1 4.32Å; L307-V354 HydrophobicContact CD2-CG1 4.26Å; Y311-V354 HydrophobicContact CD2-CG2 4.37Å; Y311-V354 HydrophobicContact CE2-CG2 3.49Å; Y311-V354 VanDerWaalsContact CE2-CG2 3.49Å; Y311-V354 WeakPolarHBondContact OH-CG2 3.36Å; I350-V354 HydrophobicContact CG2-CB 4.3Å; I350-V354 HydrophobicContact CG2-CG2 4.11Å; I350-V354 VanDerWaalsContact O-CB 3.32Å; I350-V354 WeakPolarHBondContact O-CB 3.47Å; I350-V354 PolarHBondContact O-N 3.44Å |
| 355 | L | 75.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -102.4 | -16 | -169.2 | -55.2 | 178.6 | 0 | 0 | 0 | 114.3 | L213 T216 L217 K351 | L213-L355 HydrophobicContact CD1-CD1 4.11Å; T216-L355 HydrophobicContact CG2-CD1 4Å; L217-L355 HydrophobicContact CD2-CD1 3.92Å; L217-L355 HydrophobicContact CD2-CD2 3.86Å; L217-L355 HydrophobicContact CG-CD1 4.46Å; K351-L355 CarbonylContact O-C 3.6Å; K351-L355 WeakPolarHBondContact O-CA 3.48Å; K351-L355 WeakPolarHBondContact O-CB 3.49Å; K351-L355 PolarHBondContact O-N 3.18Å; K351-L355 VanDerWaalsContact O-N 3.08Å |
| 356 | Q | 72.6 | Confident | 83.3 | Confident | 130 Ų | 130 | 43.9 Ų | 43.9 | 61% | 0.607 | 21% | 0.21 | S | C | * | . | trans | -124.2 | 0 | 176.3 | -62.9 | 178.5 | -24.1 | 0 | 0 | 108.9 | R234 K351 | R234-Q356 PolarHBondContact NH1-OXT 2.77Å; R234-Q356 PolarHBondContact NH2-O 3.4Å; R234-Q356 PolarHBondContact NH2-OXT 3.35Å; K351-Q356 PolarHBondContact O-N 3.45Å; K351-Q356 VanDerWaalsContact O-N 3.08Å |
Retrieved 356 of 356 residues in 594 ms
(Link to these results)