| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.6 | Very low | 52.3 | Low | 230 Ų | 230 | 132.1 Ų | 132.1 | 100% | 1.133 | 68% | 0.678 | S | S | * | * | 0 | -4.3 | 0 | -83.1 | 176 | 169.6 | 0 | 0 | 114.6 | |||||
| 2 | N | 52.2 | Low | 52.4 | Low | 136 Ų | 136 | 126.8 Ų | 126.8 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -91.4 | 3.2 | -177.2 | -80.8 | -0.4 | 0 | 0 | 0 | 116.2 | Y6 | N2-Y6 WeakPolarHBondContact O-CD2 3.12Å; N2-Y6 WeakPolarHBondContact O-CE2 3.48Å | ||
| 3 | T | 50.7 | Low | 52.2 | Low | 115 Ų | 115 | 125.6 Ų | 125.6 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -91.8 | -26.6 | -174.6 | 38.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 4 | E | 53.5 | Low | 52.5 | Low | 156 Ų | 156 | 123.6 Ų | 123.6 | 73% | 0.729 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.6 | -33.4 | -176.6 | -73.6 | 179.5 | 162.3 | 0 | 0 | 113.6 | Y6 L7 N8 | E4-Y6 PolarHBondContact O-N 2.78Å; E4-L7 PolarHBondContact O-N 2.93Å; E4-N8 PolarHBondContact O-N 3.42Å |
| 5 | N | 52.4 | Low | 52.8 | Low | 127 Ų | 127 | 121.9 Ų | 121.9 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.6 | -34.8 | 179.7 | -90.6 | -5.8 | 0 | 0 | 0 | 112.9 | L7 V9 | N5-L7 VanDerWaalsContact C-N 3.35Å; N5-V9 WeakPolarHBondContact O-CG2 3.45Å; N5-V9 PolarHBondContact O-N 3.41Å |
| 6 | Y | 48.7 | Very low | 52.9 | Low | 170 Ų | 170 | 118.8 Ų | 118.8 | 67% | 0.667 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -39 | 176.4 | -70.1 | -81.6 | 0 | 0 | 0 | 111.3 | N2 E4 N8 V9 D10 | N2-Y6 WeakPolarHBondContact O-CD2 3.12Å; N2-Y6 WeakPolarHBondContact O-CE2 3.48Å; E4-Y6 PolarHBondContact O-N 2.78Å; Y6-N8 PolarHBondContact O-N 3.27Å; Y6-V9 PolarHBondContact O-N 3.15Å; Y6-D10 PolarHBondContact O-N 3.16Å |
| 7 | L | 50.7 | Low | 53.1 | Low | 115 Ų | 115 | 116.5 Ų | 116.5 | 60% | 0.602 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64 | -40.5 | 179.6 | -133.1 | 98.8 | 0 | 0 | 0 | 112.6 | E4 N5 D10 L11 | E4-L7 PolarHBondContact O-N 2.93Å; N5-L7 VanDerWaalsContact C-N 3.35Å; L7-D10 PolarHBondContact O-N 3.14Å; L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 PolarHBondContact O-N 3.07Å |
| 8 | N | 54.1 | Low | 53.3 | Low | 102 Ų | 102 | 114.4 Ų | 114.4 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.9 | -37.5 | 178.3 | -79.8 | -23.8 | 0 | 0 | 0 | 112.4 | E4 Y6 S12 | E4-N8 PolarHBondContact O-N 3.42Å; Y6-N8 PolarHBondContact O-N 3.27Å; N8-S12 WeakPolarHBondContact O-CB 3.48Å; N8-S12 PolarHBondContact O-N 2.83Å; N8-S12 PolarHBondContact O-OG 3.18Å |
| 9 | V | 55 | Low | 53.7 | Low | 87 Ų | 87 | 112.5 Ų | 112.5 | 53% | 0.527 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -46.4 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | N5 Y6 L11 S12 H13 | N5-V9 WeakPolarHBondContact O-CG2 3.45Å; N5-V9 PolarHBondContact O-N 3.41Å; Y6-V9 PolarHBondContact O-N 3.15Å; V9-L11 PolarHBondContact O-N 3.34Å; V9-S12 PolarHBondContact O-N 3.18Å; V9-S12 PolarHBondContact O-OG 3.21Å; V9-H13 WeakPolarHBondContact O-CB 3.38Å; V9-H13 PolarHBondContact O-N 2.98Å |
| 10 | D | 55.5 | Low | 53.8 | Low | 108 Ų | 108 | 111.3 Ų | 111.3 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.4 | -43.1 | 177.9 | -73.3 | -25.2 | 0 | 0 | 0 | 112.3 | Y6 L7 H13 N14 | Y6-D10 PolarHBondContact O-N 3.16Å; L7-D10 PolarHBondContact O-N 3.14Å; D10-H13 PolarHBondContact O-N 2.93Å; D10-N14 WeakPolarHBondContact O-CB 3.39Å; D10-N14 PolarHBondContact O-N 3.2Å |
| 11 | L | 53.6 | Low | 53.9 | Low | 107 Ų | 107 | 108.7 Ų | 108.7 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.9 | -44.8 | 175 | -89.2 | 155.1 | 0 | 0 | 0 | 112.4 | L7 V9 H13 N14 N15 | L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 PolarHBondContact O-N 3.07Å; V9-L11 PolarHBondContact O-N 3.34Å; L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 2.87Å; L11-N14 PolarHBondContact O-N 3.01Å; L11-N15 WeakPolarHBondContact O-CB 3.42Å; L11-N15 PolarHBondContact O-N 3.16Å |
| 12 | S | 53.5 | Low | 54.3 | Low | 68 Ų | 68 | 104.1 Ų | 104.1 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -37.3 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 112 | N8 V9 N15 T16 | N8-S12 WeakPolarHBondContact O-CB 3.48Å; N8-S12 PolarHBondContact O-N 2.83Å; N8-S12 PolarHBondContact O-OG 3.18Å; V9-S12 PolarHBondContact O-N 3.18Å; V9-S12 PolarHBondContact O-OG 3.21Å; S12-N15 PolarHBondContact O-N 3.31Å; S12-T16 PolarHBondContact O-N 3.26Å; S12-T16 PolarHBondContact O-OG1 3.21Å |
| 13 | H | 49.3 | Very low | 54.5 | Low | 112 Ų | 112 | 103.5 Ų | 103.5 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71 | -38.5 | 177.8 | -146.9 | -8.2 | 0 | 0 | 0 | 111.2 | V9 D10 L11 T16 N17 | V9-H13 WeakPolarHBondContact O-CB 3.38Å; V9-H13 PolarHBondContact O-N 2.98Å; D10-H13 PolarHBondContact O-N 2.93Å; L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 2.87Å; H13-T16 WeakPolarHBondContact CA-OG1 3.35Å; H13-T16 PolarHBondContact O-OG1 3.41Å; H13-N17 VanDerWaalsContact O-CB 3.3Å; H13-N17 WeakPolarHBondContact O-CB 3.2Å; H13-N17 PolarHBondContact O-N 2.99Å; H13-N17 PolarHBondContact O-ND2 3.12Å; H13-N17 PolarHBondContact O-OD1 2.75Å |
| 14 | N | 57.1 | Low | 54.6 | Low | 98 Ų | 98 | 103.3 Ų | 103.3 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.2 | -128.8 | 4.3 | 0 | 0 | 0 | 111.6 | D10 L11 N17 N18 | D10-N14 WeakPolarHBondContact O-CB 3.39Å; D10-N14 PolarHBondContact O-N 3.2Å; L11-N14 PolarHBondContact O-N 3.01Å; N14-N17 PolarHBondContact O-N 3.01Å; N14-N18 WeakPolarHBondContact O-CB 3.42Å; N14-N18 PolarHBondContact O-N 3.16Å; N14-N18 PolarHBondContact O-ND2 3.49Å; N14-N18 PolarHBondContact O-OD1 2.95Å |
| 15 | N | 57.4 | Low | 54.9 | Low | 97 Ų | 97 | 102.7 Ų | 102.7 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.6 | -38.5 | -179.4 | -145.9 | 18.7 | 0 | 0 | 0 | 112 | L11 S12 N18 N19 | L11-N15 WeakPolarHBondContact O-CB 3.42Å; L11-N15 PolarHBondContact O-N 3.16Å; S12-N15 PolarHBondContact O-N 3.31Å; N15-N18 PolarHBondContact O-N 3.28Å; N15-N19 WeakPolarHBondContact O-CB 3.46Å; N15-N19 PolarHBondContact O-N 3.35Å; N15-N19 PolarHBondContact O-ND2 3.49Å; N15-N19 PolarHBondContact O-OD1 3.07Å |
| 16 | T | 53.5 | Low | 55.5 | Low | 73 Ų | 73 | 99.2 Ų | 99.2 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 171.4 | 36.3 | 0 | 0 | 0 | 0 | 111.7 | S12 H13 N18 N19 V20 | S12-T16 PolarHBondContact O-N 3.26Å; S12-T16 PolarHBondContact O-OG1 3.21Å; H13-T16 WeakPolarHBondContact CA-OG1 3.35Å; H13-T16 PolarHBondContact O-OG1 3.41Å; T16-N18 VanDerWaalsContact C-N 3.35Å; T16-N18 PolarHBondContact O-N 3.31Å; T16-N19 PolarHBondContact O-N 3.24Å; T16-V20 WeakPolarHBondContact O-CB 3.46Å; T16-V20 WeakPolarHBondContact O-CG2 3.37Å; T16-V20 PolarHBondContact O-N 3.36Å |
| 17 | N | 56.7 | Low | 56.5 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.4 | -69.9 | -16.1 | 0 | 0 | 0 | 112 | H13 N14 S21 | H13-N17 VanDerWaalsContact O-CB 3.3Å; H13-N17 WeakPolarHBondContact O-CB 3.2Å; H13-N17 PolarHBondContact O-N 2.99Å; H13-N17 PolarHBondContact O-ND2 3.12Å; H13-N17 PolarHBondContact O-OD1 2.75Å; N14-N17 PolarHBondContact O-N 3.01Å; N17-S21 VanDerWaalsContact O-CB 3.27Å; N17-S21 WeakPolarHBondContact O-CB 3.32Å; N17-S21 PolarHBondContact O-N 2.95Å; N17-S21 PolarHBondContact O-OG 3.47Å |
| 18 | N | 57.5 | Low | 57.5 | Low | 79 Ų | 79 | 92.8 Ų | 92.8 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 175.4 | -70.3 | -14.6 | 0 | 0 | 0 | 111.2 | N14 N15 T16 V20 S21 E22 | N14-N18 WeakPolarHBondContact O-CB 3.42Å; N14-N18 PolarHBondContact O-N 3.16Å; N14-N18 PolarHBondContact O-ND2 3.49Å; N14-N18 PolarHBondContact O-OD1 2.95Å; N15-N18 PolarHBondContact O-N 3.28Å; T16-N18 VanDerWaalsContact C-N 3.35Å; T16-N18 PolarHBondContact O-N 3.31Å; N18-V20 VanDerWaalsContact C-N 3.35Å; N18-V20 PolarHBondContact O-N 3.03Å; N18-S21 PolarHBondContact O-N 2.95Å; N18-E22 WeakPolarHBondContact O-CB 3.33Å; N18-E22 WeakPolarHBondContact O-CG 3.3Å; N18-E22 PolarHBondContact O-N 3.15Å |
| 19 | N | 59.7 | Low | 58.4 | Low | 78 Ų | 78 | 91 Ų | 91 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 177.9 | -69.2 | -13.2 | 0 | 0 | 0 | 112.1 | N15 T16 Q23 | N15-N19 WeakPolarHBondContact O-CB 3.46Å; N15-N19 PolarHBondContact O-N 3.35Å; N15-N19 PolarHBondContact O-ND2 3.49Å; N15-N19 PolarHBondContact O-OD1 3.07Å; T16-N19 PolarHBondContact O-N 3.24Å; N19-Q23 VanDerWaalsContact O-CB 3.32Å; N19-Q23 WeakPolarHBondContact O-CB 3.41Å; N19-Q23 VanDerWaalsContact O-CG 3.3Å; N19-Q23 WeakPolarHBondContact O-CG 3.48Å; N19-Q23 PolarHBondContact O-N 3.23Å |
| 20 | V | 56.1 | Low | 59.6 | Low | 89 Ų | 89 | 89.6 Ų | 89.6 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | T16 N18 L24 | T16-V20 WeakPolarHBondContact O-CB 3.46Å; T16-V20 WeakPolarHBondContact O-CG2 3.37Å; T16-V20 PolarHBondContact O-N 3.36Å; N18-V20 VanDerWaalsContact C-N 3.35Å; N18-V20 PolarHBondContact O-N 3.03Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.46Å |
| 21 | S | 55.1 | Low | 60.9 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | N17 N18 L24 H25 | N17-S21 VanDerWaalsContact O-CB 3.27Å; N17-S21 WeakPolarHBondContact O-CB 3.32Å; N17-S21 PolarHBondContact O-N 2.95Å; N17-S21 PolarHBondContact O-OG 3.47Å; N18-S21 PolarHBondContact O-N 2.95Å; S21-L24 PolarHBondContact O-N 3.27Å; S21-H25 WeakPolarHBondContact O-CB 3.44Å; S21-H25 PolarHBondContact O-CD2 2.89Å; S21-H25 PolarHBondContact O-N 3.34Å |
| 22 | E | 58.1 | Low | 62.2 | Low | 134 Ų | 134 | 88.3 Ų | 88.3 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 176 | -76.6 | -178.1 | -178.7 | 0 | 0 | 111.6 | N18 L24 H25 S26 | N18-E22 WeakPolarHBondContact O-CB 3.33Å; N18-E22 WeakPolarHBondContact O-CG 3.3Å; N18-E22 PolarHBondContact O-N 3.15Å; E22-L24 PolarHBondContact O-N 3.04Å; E22-H25 PolarHBondContact O-N 2.95Å; E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.28Å; E22-S26 PolarHBondContact O-OG 2.71Å |
| 23 | Q | 55.8 | Low | 63.6 | Low | 124 Ų | 124 | 87.9 Ų | 87.9 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 174.6 | -77.1 | -174.3 | -8.1 | 0 | 0 | 112.4 | N19 S26 N27 | N19-Q23 VanDerWaalsContact O-CB 3.32Å; N19-Q23 WeakPolarHBondContact O-CB 3.41Å; N19-Q23 VanDerWaalsContact O-CG 3.3Å; N19-Q23 WeakPolarHBondContact O-CG 3.48Å; N19-Q23 PolarHBondContact O-N 3.23Å; Q23-S26 WeakPolarHBondContact CA-OG 3.48Å; Q23-S26 PolarHBondContact O-N 3.25Å; Q23-S26 PolarHBondContact O-OG 3.49Å; Q23-N27 WeakPolarHBondContact O-CB 3.43Å; Q23-N27 PolarHBondContact O-N 2.97Å; Q23-N27 PolarHBondContact O-ND2 3.36Å |
| 24 | L | 54.1 | Low | 65.3 | Low | 111 Ų | 111 | 86.3 Ų | 86.3 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 176.7 | -170.9 | 69.2 | 0 | 0 | 0 | 110.8 | V20 S21 E22 S28 | V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.46Å; S21-L24 PolarHBondContact O-N 3.27Å; E22-L24 PolarHBondContact O-N 3.04Å; L24-S28 WeakPolarHBondContact O-CB 3.43Å; L24-S28 PolarHBondContact O-N 3.22Å; L24-S28 PolarHBondContact O-OG 3.46Å |
| 25 | H | 59.2 | Low | 66.9 | Low | 142 Ų | 142 | 86.8 Ų | 86.8 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 174.1 | -86.1 | -70 | 0 | 0 | 0 | 111.9 | S21 E22 S28 S29 | S21-H25 WeakPolarHBondContact O-CB 3.44Å; S21-H25 PolarHBondContact O-CD2 2.89Å; S21-H25 PolarHBondContact O-N 3.34Å; E22-H25 PolarHBondContact O-N 2.95Å; H25-S28 PolarHBondContact O-N 3.45Å; H25-S29 WeakPolarHBondContact O-CB 3.21Å; H25-S29 PolarHBondContact O-N 3.32Å; H25-S29 PolarHBondContact O-OG 2.92Å; H25-S29 VanDerWaalsContact O-OG 3.14Å |
| 26 | S | 63.9 | Low | 68.3 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 177.6 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | E22 Q23 S29 S30 | E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.28Å; E22-S26 PolarHBondContact O-OG 2.71Å; Q23-S26 WeakPolarHBondContact CA-OG 3.48Å; Q23-S26 PolarHBondContact O-N 3.25Å; Q23-S26 PolarHBondContact O-OG 3.49Å; S26-S29 WeakPolarHBondContact CA-OG 3.26Å; S26-S29 PolarHBondContact O-OG 3.28Å; S26-S30 VanDerWaalsContact O-CB 3.28Å; S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.24Å; S26-S30 VanDerWaalsContact O-N 3.08Å; S26-S30 PolarHBondContact O-OG 3.37Å |
| 27 | N | 70.1 | Confident | 70 | Confident | 94 Ų | 94 | 85.1 Ų | 85.1 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 174.8 | -71.6 | -15.2 | 0 | 0 | 0 | 110.7 | Q23 S30 I31 | Q23-N27 WeakPolarHBondContact O-CB 3.43Å; Q23-N27 PolarHBondContact O-N 2.97Å; Q23-N27 PolarHBondContact O-ND2 3.36Å; N27-S30 PolarHBondContact O-N 3.11Å; N27-I31 WeakPolarHBondContact O-CB 3.31Å; N27-I31 WeakPolarHBondContact O-CD1 3.49Å; N27-I31 WeakPolarHBondContact O-CG1 3.4Å; N27-I31 PolarHBondContact O-N 2.89Å |
| 28 | S | 72.8 | Confident | 71.8 | Confident | 56 Ų | 56 | 86 Ų | 86 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | L24 H25 S30 I31 V32 | L24-S28 WeakPolarHBondContact O-CB 3.43Å; L24-S28 PolarHBondContact O-N 3.22Å; L24-S28 PolarHBondContact O-OG 3.46Å; H25-S28 PolarHBondContact O-N 3.45Å; S28-S30 VanDerWaalsContact C-N 3.35Å; S28-I31 PolarHBondContact O-N 3.09Å; S28-V32 VanDerWaalsContact O-CG2 3.27Å; S28-V32 WeakPolarHBondContact O-CG2 3.49Å; S28-V32 PolarHBondContact O-N 3.15Å |
| 29 | S | 73.4 | Confident | 73.5 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 44% | 0.441 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | H25 S26 I31 V32 E33 | H25-S29 WeakPolarHBondContact O-CB 3.21Å; H25-S29 PolarHBondContact O-N 3.32Å; H25-S29 PolarHBondContact O-OG 2.92Å; H25-S29 VanDerWaalsContact O-OG 3.14Å; S26-S29 WeakPolarHBondContact CA-OG 3.26Å; S26-S29 PolarHBondContact O-OG 3.28Å; S29-I31 PolarHBondContact O-N 3.34Å; S29-V32 PolarHBondContact O-N 3.37Å; S29-E33 WeakPolarHBondContact O-CB 3.23Å; S29-E33 PolarHBondContact O-N 2.81Å |
| 30 | S | 78.4 | Confident | 75.2 | Confident | 59 Ų | 59 | 81.6 Ų | 81.6 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | S26 N27 S28 T34 | S26-S30 VanDerWaalsContact O-CB 3.28Å; S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.24Å; S26-S30 VanDerWaalsContact O-N 3.08Å; S26-S30 PolarHBondContact O-OG 3.37Å; N27-S30 PolarHBondContact O-N 3.11Å; S28-S30 VanDerWaalsContact C-N 3.35Å; S30-T34 WeakPolarHBondContact O-CB 3.49Å; S30-T34 PolarHBondContact O-N 3.08Å; S30-T34 PolarHBondContact O-OG1 3.17Å |
| 31 | I | 83.2 | Confident | 77.1 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 176 | -69.7 | 163.5 | 0 | 0 | 0 | 110.5 | N27 S28 S29 E33 T34 I35 | N27-I31 WeakPolarHBondContact O-CB 3.31Å; N27-I31 WeakPolarHBondContact O-CD1 3.49Å; N27-I31 WeakPolarHBondContact O-CG1 3.4Å; N27-I31 PolarHBondContact O-N 2.89Å; S28-I31 PolarHBondContact O-N 3.09Å; S29-I31 PolarHBondContact O-N 3.34Å; I31-E33 VanDerWaalsContact C-N 3.34Å; I31-E33 PolarHBondContact O-N 2.84Å; I31-T34 PolarHBondContact O-N 3.36Å; I31-I35 HydrophobicContact CG2-CD1 3.69Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 VanDerWaalsContact O-CG1 3.32Å; I31-I35 WeakPolarHBondContact O-CG1 3.49Å; I31-I35 PolarHBondContact O-N 2.87Å |
| 32 | V | 81.5 | Confident | 79.1 | Confident | 89 Ų | 89 | 82 Ų | 82 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | S28 S29 I35 T36 | S28-V32 VanDerWaalsContact O-CG2 3.27Å; S28-V32 WeakPolarHBondContact O-CG2 3.49Å; S28-V32 PolarHBondContact O-N 3.15Å; S29-V32 PolarHBondContact O-N 3.37Å; V32-I35 PolarHBondContact O-N 2.94Å; V32-T36 WeakPolarHBondContact O-CB 3.42Å; V32-T36 PolarHBondContact O-N 3.24Å; V32-T36 PolarHBondContact O-OG1 3.26Å |
| 33 | E | 82.1 | Confident | 80.9 | Confident | 58 Ų | 58 | 78 Ų | 78 | 27% | 0.271 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 175 | -171.3 | 179.9 | 170.1 | 0 | 0 | 111.2 | S29 I31 T36 F37 L96 | S29-E33 WeakPolarHBondContact O-CB 3.23Å; S29-E33 PolarHBondContact O-N 2.81Å; I31-E33 VanDerWaalsContact C-N 3.34Å; I31-E33 PolarHBondContact O-N 2.84Å; E33-T36 PolarHBondContact O-N 2.85Å; E33-F37 WeakPolarHBondContact O-CB 3.35Å; E33-F37 PolarHBondContact O-N 2.93Å; E33-L96 HydrophobicContact CG-CD2 4.2Å |
| 34 | T | 86.6 | Confident | 82.9 | Confident | 80 Ų | 80 | 72.7 Ų | 72.7 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 112 | S30 I31 T36 F37 L38 | S30-T34 WeakPolarHBondContact O-CB 3.49Å; S30-T34 PolarHBondContact O-N 3.08Å; S30-T34 PolarHBondContact O-OG1 3.17Å; I31-T34 PolarHBondContact O-N 3.36Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 3.4Å; T34-F37 PolarHBondContact O-N 2.97Å; T34-L38 HydrophobicContact CG2-CD1 4.21Å; T34-L38 WeakPolarHBondContact O-CB 3.43Å; T34-L38 WeakPolarHBondContact O-CG 3.31Å; T34-L38 PolarHBondContact O-N 3.39Å |
| 35 | I | 89.2 | Confident | 85 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 55% | 0.549 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.9 | -69.1 | 170 | 0 | 0 | 0 | 110.4 | I31 V32 L38 G39 | I31-I35 HydrophobicContact CG2-CD1 3.69Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 VanDerWaalsContact O-CG1 3.32Å; I31-I35 WeakPolarHBondContact O-CG1 3.49Å; I31-I35 PolarHBondContact O-N 2.87Å; V32-I35 PolarHBondContact O-N 2.94Å; I35-L38 PolarHBondContact O-N 2.73Å; I35-G39 PolarHBondContact O-N 3.48Å |
| 36 | T | 86.6 | Confident | 86.7 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 27% | 0.27 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | V32 E33 T34 G39 F40 L96 | V32-T36 WeakPolarHBondContact O-CB 3.42Å; V32-T36 PolarHBondContact O-N 3.24Å; V32-T36 PolarHBondContact O-OG1 3.26Å; E33-T36 PolarHBondContact O-N 2.85Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 3.4Å; T36-G39 PolarHBondContact O-N 3.16Å; T36-F40 HydrophobicContact CG2-CD2 3.77Å; T36-F40 HydrophobicContact CG2-CE2 3.38Å; T36-F40 HydrophobicContact CG2-CZ 4.43Å; T36-F40 WeakPolarHBondContact O-CD2 3.46Å; T36-F40 PolarHBondContact O-N 2.96Å; T36-L96 HydrophobicContact CG2-CD2 4.39Å |
| 37 | F | 90.9 | Very high | 88.4 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 175.3 | 174.2 | -115.4 | 0 | 0 | 0 | 112 | E33 T34 G39 F40 I41 V92 L96 | E33-F37 WeakPolarHBondContact O-CB 3.35Å; E33-F37 PolarHBondContact O-N 2.93Å; T34-F37 PolarHBondContact O-N 2.97Å; F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 3.39Å; F37-F40 PolarHBondContact O-N 3.01Å; F37-I41 HydrophobicContact CD2-CG1 4.18Å; F37-I41 HydrophobicContact CE1-CG1 4.24Å; F37-I41 HydrophobicContact CE2-CD1 3.92Å; F37-I41 HydrophobicContact CE2-CG1 3.85Å; F37-I41 HydrophobicContact CZ-CD1 4.05Å; F37-I41 HydrophobicContact CZ-CG1 3.88Å; F37-I41 WeakPolarHBondContact O-CG1 3.35Å; F37-I41 PolarHBondContact O-N 2.93Å; F37-V92 HydrophobicContact CD2-CG1 4.41Å; F37-L96 HydrophobicContact CB-CD1 3.99Å; F37-L96 HydrophobicContact CB-CD2 4.42Å; F37-L96 HydrophobicContact CD2-CD1 3.46Å; F37-L96 VanDerWaalsContact CD2-CD1 3.46Å; F37-L96 HydrophobicContact CE2-CD1 4.33Å; F37-L96 HydrophobicContact CG-CD1 4.12Å |
| 38 | L | 93.1 | Very high | 89.7 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.4 | -71 | 175.4 | 0 | 0 | 0 | 111.9 | T34 I35 I41 V42 | T34-L38 HydrophobicContact CG2-CD1 4.21Å; T34-L38 WeakPolarHBondContact O-CB 3.43Å; T34-L38 WeakPolarHBondContact O-CG 3.31Å; T34-L38 PolarHBondContact O-N 3.39Å; I35-L38 PolarHBondContact O-N 2.73Å; L38-I41 PolarHBondContact O-N 2.92Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.17Å |
| 39 | G | 94.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I35 T36 F37 V42 I43 | I35-G39 PolarHBondContact O-N 3.48Å; T36-G39 PolarHBondContact O-N 3.16Å; F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 3.39Å; G39-V42 PolarHBondContact O-N 3.12Å; G39-I43 WeakPolarHBondContact O-CG1 3.44Å; G39-I43 PolarHBondContact O-N 2.82Å; G39-I43 VanDerWaalsContact O-N 3.08Å |
| 40 | F | 95.4 | Very high | 92 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 177.4 | -74.5 | -56.7 | 0 | 0 | 0 | 113.3 | T36 F37 V42 I43 I44 V92 L95 W470 | T36-F40 HydrophobicContact CG2-CD2 3.77Å; T36-F40 HydrophobicContact CG2-CE2 3.38Å; T36-F40 HydrophobicContact CG2-CZ 4.43Å; T36-F40 WeakPolarHBondContact O-CD2 3.46Å; T36-F40 PolarHBondContact O-N 2.96Å; F37-F40 PolarHBondContact O-N 3.01Å; F40-V42 VanDerWaalsContact C-N 3.28Å; F40-V42 PolarHBondContact O-N 2.88Å; F40-I43 HydrophobicContact CD1-CD1 4.27Å; F40-I43 PolarHBondContact O-N 3.32Å; F40-I44 WeakPolarHBondContact O-CG1 3.25Å; F40-I44 PolarHBondContact O-N 2.9Å; F40-V92 HydrophobicContact CB-CG1 4.04Å; F40-V92 HydrophobicContact CB-CG2 3.59Å; F40-V92 HydrophobicContact CD1-CG2 4.18Å; F40-V92 HydrophobicContact CD2-CG1 4.28Å; F40-V92 HydrophobicContact CD2-CG2 4.31Å; F40-V92 HydrophobicContact CG-CG1 4.39Å; F40-V92 HydrophobicContact CG-CG2 3.8Å; F40-L95 HydrophobicContact CE2-CD2 3.43Å; F40-L95 VanDerWaalsContact CE2-CD2 3.43Å; F40-L95 HydrophobicContact CZ-CD2 3.45Å; F40-L95 VanDerWaalsContact CZ-CD2 3.45Å; F40-W470 HydrophobicContact CD1-CD2 4.28Å; F40-W470 HydrophobicContact CD1-CE3 4.01Å; F40-W470 AromaticContact CD1-CH2 3.3Å; F40-W470 HydrophobicContact CD1-CH2 3.3Å; F40-W470 AromaticContact CD1-CZ2 3.61Å; F40-W470 HydrophobicContact CD1-CZ2 3.61Å; F40-W470 AromaticContact CD1-CZ3 3.52Å; F40-W470 HydrophobicContact CD1-CZ3 3.52Å; F40-W470 AromaticContact CE1-CD2 3.51Å; F40-W470 HydrophobicContact CE1-CD2 3.51Å; F40-W470 AromaticContact CE1-CE2 3.41Å; F40-W470 VanDerWaalsContact CE1-CE2 3.41Å; F40-W470 AromaticContact CE1-CE3 3.6Å; F40-W470 HydrophobicContact CE1-CE3 3.6Å; F40-W470 HydrophobicContact CE1-CG 4.28Å; F40-W470 AromaticContact CE1-CH2 3.54Å; F40-W470 HydrophobicContact CE1-CH2 3.54Å; F40-W470 AromaticContact CE1-CZ2 3.44Å; F40-W470 HydrophobicContact CE1-CZ2 3.44Å; F40-W470 VanDerWaalsContact CE1-CZ2 3.44Å; F40-W470 AromaticContact CE1-CZ3 3.61Å; F40-W470 HydrophobicContact CE1-CZ3 3.61Å; F40-W470 HydrophobicContact CG-CH2 4.14Å; F40-W470 HydrophobicContact CG-CZ2 4.32Å; F40-W470 HydrophobicContact CZ-CD2 4.2Å; F40-W470 AromaticContact CZ-CE2 3.82Å; F40-W470 HydrophobicContact CZ-CH2 4.49Å; F40-W470 AromaticContact CZ-CZ2 4Å; F40-W470 HydrophobicContact CZ-CZ2 4Å |
| 41 | I | 95.7 | Very high | 93 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 174.7 | -69.1 | -64.1 | 0 | 0 | 0 | 111.2 | F37 L38 T45 | F37-I41 HydrophobicContact CD2-CG1 4.18Å; F37-I41 HydrophobicContact CE1-CG1 4.24Å; F37-I41 HydrophobicContact CE2-CD1 3.92Å; F37-I41 HydrophobicContact CE2-CG1 3.85Å; F37-I41 HydrophobicContact CZ-CD1 4.05Å; F37-I41 HydrophobicContact CZ-CG1 3.88Å; F37-I41 WeakPolarHBondContact O-CG1 3.35Å; F37-I41 PolarHBondContact O-N 2.93Å; L38-I41 PolarHBondContact O-N 2.92Å; I41-T45 VanDerWaalsContact O-CB 3.31Å; I41-T45 WeakPolarHBondContact O-CB 3.47Å; I41-T45 PolarHBondContact O-N 3.3Å; I41-T45 PolarHBondContact O-OG1 3.33Å |
| 42 | V | 96.2 | Very high | 93.7 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 111 | L38 G39 F40 I44 T45 I46 | L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.17Å; G39-V42 PolarHBondContact O-N 3.12Å; F40-V42 VanDerWaalsContact C-N 3.28Å; F40-V42 PolarHBondContact O-N 2.88Å; V42-I44 PolarHBondContact O-N 3.47Å; V42-T45 PolarHBondContact O-N 3.45Å; V42-I46 HydrophobicContact CG1-CD1 3.77Å; V42-I46 HydrophobicContact CG1-CG1 4.46Å; V42-I46 WeakPolarHBondContact O-CB 3.32Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.42Å; V42-I46 PolarHBondContact O-N 2.86Å |
| 43 | I | 96.4 | Very high | 94.4 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 177.7 | -68.5 | 165.2 | 0 | 0 | 0 | 111.3 | G39 F40 I46 T47 L474 | G39-I43 WeakPolarHBondContact O-CG1 3.44Å; G39-I43 PolarHBondContact O-N 2.82Å; G39-I43 VanDerWaalsContact O-N 3.08Å; F40-I43 HydrophobicContact CD1-CD1 4.27Å; F40-I43 PolarHBondContact O-N 3.32Å; I43-I46 PolarHBondContact O-N 2.9Å; I43-T47 WeakPolarHBondContact O-CB 3.41Å; I43-T47 PolarHBondContact O-N 2.8Å; I43-T47 PolarHBondContact O-OG1 2.86Å; I43-L474 HydrophobicContact CD1-CD2 4.19Å; I43-L474 HydrophobicContact CG2-CD2 3.98Å |
| 44 | I | 98 | Very high | 95.1 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 177.9 | -70.8 | 171.2 | 0 | 0 | 0 | 110.4 | F40 V42 I46 T47 I48 M88 P89 V92 | F40-I44 WeakPolarHBondContact O-CG1 3.25Å; F40-I44 PolarHBondContact O-N 2.9Å; V42-I44 PolarHBondContact O-N 3.47Å; I44-I46 VanDerWaalsContact C-N 3.32Å; I44-I46 PolarHBondContact O-N 2.94Å; I44-T47 PolarHBondContact O-N 3.34Å; I44-T47 VanDerWaalsContact O-N 3.14Å; I44-I48 HydrophobicContact CG2-CD1 3.59Å; I44-I48 HydrophobicContact CG2-CG1 4.25Å; I44-I48 WeakPolarHBondContact O-CG1 3.44Å; I44-I48 PolarHBondContact O-N 3.46Å; I44-M88 HydrophobicContact CD1-CB 3.96Å; I44-M88 HydrophobicContact CG1-CB 3.73Å; I44-M88 HydrophobicContact CG1-SD 3.98Å; I44-P89 HydrophobicContact CD1-CG 4.35Å; I44-V92 HydrophobicContact CD1-CG2 3.79Å |
| 45 | T | 97.5 | Very high | 95.6 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 179.7 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | I41 V42 G49 | I41-T45 VanDerWaalsContact O-CB 3.31Å; I41-T45 WeakPolarHBondContact O-CB 3.47Å; I41-T45 PolarHBondContact O-N 3.3Å; I41-T45 PolarHBondContact O-OG1 3.33Å; V42-T45 PolarHBondContact O-N 3.45Å; T45-G49 WeakPolarHBondContact O-CA 3.42Å; T45-G49 PolarHBondContact O-N 2.93Å |
| 46 | I | 96.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.4 | -71.9 | 169.6 | 0 | 0 | 0 | 110.9 | V42 I43 I44 G50 F481 | V42-I46 HydrophobicContact CG1-CD1 3.77Å; V42-I46 HydrophobicContact CG1-CG1 4.46Å; V42-I46 WeakPolarHBondContact O-CB 3.32Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.42Å; V42-I46 PolarHBondContact O-N 2.86Å; I43-I46 PolarHBondContact O-N 2.9Å; I44-I46 VanDerWaalsContact C-N 3.32Å; I44-I46 PolarHBondContact O-N 2.94Å; I46-G50 WeakPolarHBondContact O-CA 3.15Å; I46-G50 PolarHBondContact O-N 2.86Å; I46-F481 HydrophobicContact CG2-CE2 3.52Å; I46-F481 HydrophobicContact CG2-CZ 3.65Å |
| 47 | T | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -50.7 | -178.7 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | I43 I44 N51 M88 G477 | I43-T47 WeakPolarHBondContact O-CB 3.41Å; I43-T47 PolarHBondContact O-N 2.8Å; I43-T47 PolarHBondContact O-OG1 2.86Å; I44-T47 PolarHBondContact O-N 3.34Å; I44-T47 VanDerWaalsContact O-N 3.14Å; T47-N51 WeakPolarHBondContact O-CB 2.87Å; T47-N51 PolarHBondContact O-N 3.4Å; T47-N51 VanDerWaalsContact O-N 3.15Å; T47-N51 PolarHBondContact O-ND2 2.87Å; T47-M88 HydrophobicContact CG2-CE 4.05Å; T47-M88 HydrophobicContact CG2-SD 4.22Å; T47-G477 WeakPolarHBondContact OG1-CA 3.03Å |
| 48 | I | 98.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -53.7 | 178.1 | -66.3 | 174.8 | 0 | 0 | 0 | 110.2 | I44 G50 N51 L52 L81 A85 | I44-I48 HydrophobicContact CG2-CD1 3.59Å; I44-I48 HydrophobicContact CG2-CG1 4.25Å; I44-I48 WeakPolarHBondContact O-CG1 3.44Å; I44-I48 PolarHBondContact O-N 3.46Å; I48-G50 PolarHBondContact O-N 2.93Å; I48-N51 PolarHBondContact O-N 3.3Å; I48-L52 HydrophobicContact CG2-CD1 3.75Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I48-L52 WeakPolarHBondContact O-CG 3.39Å; I48-L52 PolarHBondContact O-N 3.45Å; I48-L81 HydrophobicContact CB-CD1 4.26Å; I48-L81 HydrophobicContact CG1-CD1 4.43Å; I48-L81 HydrophobicContact CG2-CD1 3.83Å; I48-A85 HydrophobicContact CD1-CB 4.29Å; I48-A85 HydrophobicContact CG1-CB 4.46Å |
| 49 | G | 97.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 38% | 0.381 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -40.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T45 L53 | T45-G49 WeakPolarHBondContact O-CA 3.42Å; T45-G49 PolarHBondContact O-N 2.93Å; G49-L53 WeakPolarHBondContact O-CB 3.31Å; G49-L53 PolarHBondContact O-N 3.07Å |
| 50 | G | 96.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I46 I48 L53 V54 | I46-G50 WeakPolarHBondContact O-CA 3.15Å; I46-G50 PolarHBondContact O-N 2.86Å; I48-G50 PolarHBondContact O-N 2.93Å; G50-L53 WeakPolarHBondContact O-CB 3.33Å; G50-L53 PolarHBondContact O-N 3.11Å; G50-V54 WeakPolarHBondContact O-CG2 3.45Å; G50-V54 PolarHBondContact O-N 2.83Å; G50-V54 VanDerWaalsContact O-N 3.09Å |
| 51 | N | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.2 | -34.7 | -179.9 | -72.9 | -63.5 | 0 | 0 | 0 | 112.7 | T47 I48 L53 V54 L55 A77 D80 L81 S476 | T47-N51 WeakPolarHBondContact O-CB 2.87Å; T47-N51 PolarHBondContact O-N 3.4Å; T47-N51 VanDerWaalsContact O-N 3.15Å; T47-N51 PolarHBondContact O-ND2 2.87Å; I48-N51 PolarHBondContact O-N 3.3Å; N51-L53 VanDerWaalsContact C-N 3.29Å; N51-L53 PolarHBondContact O-N 3.1Å; N51-V54 WeakPolarHBondContact O-CB 3.48Å; N51-V54 PolarHBondContact O-N 2.85Å; N51-L55 WeakPolarHBondContact O-CG 3.36Å; N51-L55 PolarHBondContact O-N 3.05Å; N51-A77 HydrophobicContact CB-CB 4.33Å; N51-D80 WeakPolarHBondContact ND2-CB 3.37Å; N51-L81 HydrophobicContact CB-CB 4.1Å; N51-S476 PolarHBondContact ND2-O 2.03Å |
| 52 | L | 98.1 | Very high | 96.1 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 167.4 | -78.6 | 174 | 0 | 0 | 0 | 111.4 | I48 V54 L55 V56 L81 | I48-L52 HydrophobicContact CG2-CD1 3.75Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I48-L52 WeakPolarHBondContact O-CG 3.39Å; I48-L52 PolarHBondContact O-N 3.45Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-V54 PolarHBondContact O-N 3.46Å; L52-L55 PolarHBondContact O-N 2.94Å; L52-V56 WeakPolarHBondContact O-CB 3.4Å; L52-V56 VanDerWaalsContact O-CG2 3.29Å; L52-V56 WeakPolarHBondContact O-CG2 3.25Å; L52-V56 PolarHBondContact O-N 3.21Å; L52-L81 HydrophobicContact CD2-CD1 4.23Å; L52-L81 HydrophobicContact CD2-CD2 3.66Å; L52-L81 HydrophobicContact CG-CD1 3.87Å; L52-L81 HydrophobicContact CG-CD2 4.17Å |
| 53 | L | 96.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 177.3 | -175.1 | 66.6 | 0 | 0 | 0 | 112 | G49 G50 N51 A57 F494 I497 L498 | G49-L53 WeakPolarHBondContact O-CB 3.31Å; G49-L53 PolarHBondContact O-N 3.07Å; G50-L53 WeakPolarHBondContact O-CB 3.33Å; G50-L53 PolarHBondContact O-N 3.11Å; N51-L53 VanDerWaalsContact C-N 3.29Å; N51-L53 PolarHBondContact O-N 3.1Å; L53-A57 WeakPolarHBondContact O-CB 3.21Å; L53-A57 PolarHBondContact O-N 2.62Å; L53-F494 HydrophobicContact CB-CE1 4.42Å; L53-F494 HydrophobicContact CD1-CD1 4.25Å; L53-F494 HydrophobicContact CD2-CB 4.12Å; L53-F494 HydrophobicContact CD2-CD1 3.84Å; L53-F494 HydrophobicContact CD2-CD2 3.89Å; L53-F494 HydrophobicContact CD2-CE1 4.13Å; L53-F494 HydrophobicContact CD2-CE2 4.16Å; L53-F494 HydrophobicContact CD2-CG 3.7Å; L53-F494 HydrophobicContact CD2-CZ 4.26Å; L53-F494 HydrophobicContact CG-CD1 3.61Å; L53-F494 HydrophobicContact CG-CD2 4.49Å; L53-F494 HydrophobicContact CG-CE1 3.69Å; L53-F494 HydrophobicContact CG-CG 4.02Å; L53-F494 HydrophobicContact CG-CZ 4.16Å; L53-F494 WeakPolarHBondContact O-CE1 3.44Å; L53-I497 HydrophobicContact CD1-CB 4.01Å; L53-I497 HydrophobicContact CD1-CD1 4.09Å; L53-I497 HydrophobicContact CD1-CG2 3.63Å; L53-L498 HydrophobicContact CD1-CD2 4.28Å; L53-L498 HydrophobicContact CD1-CG 4.29Å; L53-L498 HydrophobicContact CD2-CD1 3.85Å; L53-L498 HydrophobicContact CD2-CD2 4.37Å; L53-L498 HydrophobicContact CD2-CG 4.2Å |
| 54 | V | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -51 | 172.7 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | G50 N51 L52 A57 I58 I73 A77 P480 Y483 F494 | G50-V54 WeakPolarHBondContact O-CG2 3.45Å; G50-V54 PolarHBondContact O-N 2.83Å; G50-V54 VanDerWaalsContact O-N 3.09Å; N51-V54 WeakPolarHBondContact O-CB 3.48Å; N51-V54 PolarHBondContact O-N 2.85Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-V54 PolarHBondContact O-N 3.46Å; V54-A57 PolarHBondContact O-N 3Å; V54-I58 HydrophobicContact CG1-CD1 3.75Å; V54-I58 WeakPolarHBondContact O-CG1 3.25Å; V54-I58 PolarHBondContact O-N 3.12Å; V54-I58 VanDerWaalsContact O-N 3.1Å; V54-I73 HydrophobicContact CG1-CG2 3.94Å; V54-A77 HydrophobicContact CB-CB 3.87Å; V54-A77 HydrophobicContact CG1-CB 3.62Å; V54-P480 HydrophobicContact CG2-CB 4.24Å; V54-P480 HydrophobicContact CG2-CG 4.24Å; V54-Y483 HydrophobicContact CG2-CD2 3.94Å; V54-Y483 HydrophobicContact CG2-CE2 4.46Å; V54-F494 HydrophobicContact CB-CZ 4.38Å; V54-F494 HydrophobicContact CG2-CE1 4.43Å; V54-F494 HydrophobicContact CG2-CZ 3.68Å |
| 55 | L | 97.7 | Very high | 95.4 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -51.3 | -179 | -70.9 | 170.8 | 0 | 0 | 0 | 111.7 | N51 L52 A57 I58 C59 A74 A77 A78 L81 | N51-L55 WeakPolarHBondContact O-CG 3.36Å; N51-L55 PolarHBondContact O-N 3.05Å; L52-L55 PolarHBondContact O-N 2.94Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 2.67Å; L55-I58 PolarHBondContact O-N 3.31Å; L55-C59 VanDerWaalsContact O-CB 3.31Å; L55-C59 WeakPolarHBondContact O-CB 3.5Å; L55-C59 PolarHBondContact O-N 3.04Å; L55-C59 PolarHBondContact O-SG 3.44Å; L55-A74 HydrophobicContact CD2-CB 4.08Å; L55-A74 VanDerWaalsContact CD2-O 3.26Å; L55-A74 WeakPolarHBondContact CD2-O 3.33Å; L55-A77 HydrophobicContact CD2-CB 4.27Å; L55-A77 HydrophobicContact CG-CB 4.16Å; L55-A78 HydrophobicContact CD2-CB 4.43Å; L55-L81 HydrophobicContact CD1-CD2 3.68Å |
| 56 | V | 95.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 39% | 0.394 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 178 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L52 I58 C59 T60 I497 | L52-V56 WeakPolarHBondContact O-CB 3.4Å; L52-V56 VanDerWaalsContact O-CG2 3.29Å; L52-V56 WeakPolarHBondContact O-CG2 3.25Å; L52-V56 PolarHBondContact O-N 3.21Å; V56-I58 VanDerWaalsContact C-N 3.32Å; V56-I58 PolarHBondContact O-N 3.38Å; V56-C59 PolarHBondContact O-N 2.89Å; V56-T60 VanDerWaalsContact O-CB 3.23Å; V56-T60 WeakPolarHBondContact O-CB 2.99Å; V56-T60 PolarHBondContact O-N 3.44Å; V56-T60 PolarHBondContact O-OG1 2.96Å; V56-I497 HydrophobicContact CG1-CD1 3.96Å |
| 57 | A | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L53 V54 L55 K61 A493 F494 I497 | L53-A57 WeakPolarHBondContact O-CB 3.21Å; L53-A57 PolarHBondContact O-N 2.62Å; V54-A57 PolarHBondContact O-N 3Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 2.67Å; A57-K61 VanDerWaalsContact O-CB 3.32Å; A57-K61 WeakPolarHBondContact O-CB 3.48Å; A57-K61 VanDerWaalsContact O-CG 3.29Å; A57-K61 WeakPolarHBondContact O-CG 3.39Å; A57-K61 PolarHBondContact O-N 3.44Å; A57-A493 HydrophobicContact CB-CB 3.8Å; A57-F494 HydrophobicContact CB-CD1 3.81Å; A57-F494 HydrophobicContact CB-CE1 3.68Å; A57-I497 HydrophobicContact CB-CD1 3.84Å |
| 58 | I | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.5 | -43.2 | -178.7 | -65.1 | 165.8 | 0 | 0 | 0 | 110.6 | V54 L55 V56 N70 I73 A74 | V54-I58 HydrophobicContact CG1-CD1 3.75Å; V54-I58 WeakPolarHBondContact O-CG1 3.25Å; V54-I58 PolarHBondContact O-N 3.12Å; V54-I58 VanDerWaalsContact O-N 3.1Å; L55-I58 PolarHBondContact O-N 3.31Å; V56-I58 VanDerWaalsContact C-N 3.32Å; V56-I58 PolarHBondContact O-N 3.38Å; I58-N70 HydrophobicContact CD1-CB 4.42Å; I58-N70 WeakPolarHBondContact CD1-O 3.43Å; I58-N70 HydrophobicContact CG1-CB 4.5Å; I58-N70 HydrophobicContact CG2-CB 4.44Å; I58-I73 HydrophobicContact CD1-CB 4.43Å; I58-I73 HydrophobicContact CD1-CG2 4.1Å; I58-A74 HydrophobicContact CD1-CB 3.9Å; I58-A74 HydrophobicContact CG2-CB 4.18Å |
| 59 | C | 94 | Very high | 94 | Very high | 85 Ų | 85 | 57.9 Ų | 57.9 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.4 | -42.7 | -180 | -70 | 0 | 0 | 0 | 0 | 112.4 | L55 V56 | L55-C59 VanDerWaalsContact O-CB 3.31Å; L55-C59 WeakPolarHBondContact O-CB 3.5Å; L55-C59 PolarHBondContact O-N 3.04Å; L55-C59 PolarHBondContact O-SG 3.44Å; V56-C59 PolarHBondContact O-N 2.89Å |
| 60 | T | 91.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -75.5 | -30.4 | -178 | -55 | 0 | 0 | 0 | 0 | 112.8 | V56 | V56-T60 VanDerWaalsContact O-CB 3.23Å; V56-T60 WeakPolarHBondContact O-CB 2.99Å; V56-T60 PolarHBondContact O-N 3.44Å; V56-T60 PolarHBondContact O-OG1 2.96Å |
| 61 | K | 92 | Very high | 93.8 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | trans | -100.7 | 101.6 | -175 | -57.2 | -62.3 | -179.9 | -179.3 | 0 | 111.4 | A57 K63 L64 R65 A493 D496 | A57-K61 VanDerWaalsContact O-CB 3.32Å; A57-K61 WeakPolarHBondContact O-CB 3.48Å; A57-K61 VanDerWaalsContact O-CG 3.29Å; A57-K61 WeakPolarHBondContact O-CG 3.39Å; A57-K61 PolarHBondContact O-N 3.44Å; K61-K63 VanDerWaalsContact C-N 3.27Å; K61-K63 PolarHBondContact O-N 3.22Å; K61-K63 VanDerWaalsContact O-N 3.13Å; K61-L64 HydrophobicContact CB-CB 4.11Å; K61-L64 HydrophobicContact CB-CD1 4.35Å; K61-L64 HydrophobicContact CB-CD2 4.31Å; K61-L64 HydrophobicContact CB-CG 4.49Å; K61-L64 WeakPolarHBondContact O-CB 3.46Å; K61-L64 PolarHBondContact O-N 2.96Å; K61-R65 PolarHBondContact O-N 3.17Å; K61-A493 HydrophobicContact CG-CB 4.1Å; K61-D496 IonicContact NZ-OD2 2.71Å; K61-D496 PolarHBondContact NZ-OD2 3.27Å | ||
| 62 | H | 90.9 | Very high | 93.7 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -49.4 | -43.2 | 178.1 | -179.9 | -103.8 | 0 | 0 | 0 | 113.8 | L64 R65 R66 | H62-L64 VanDerWaalsContact C-N 3.29Å; H62-L64 PolarHBondContact O-N 3.33Å; H62-R65 PolarHBondContact O-N 2.96Å; H62-R66 PolarHBondContact O-N 3.43Å |
| 63 | K | 90.7 | Very high | 93.6 | Very high | 186 Ų | 186 | 53.6 Ų | 53.6 | 81% | 0.809 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.7 | -32.1 | 178.3 | -68.7 | -177.8 | -179.4 | 175.6 | 0 | 113.3 | K61 | K61-K63 VanDerWaalsContact C-N 3.27Å; K61-K63 PolarHBondContact O-N 3.22Å; K61-K63 VanDerWaalsContact O-N 3.13Å |
| 64 | L | 92.2 | Very high | 93.6 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.5 | -45.5 | 175.8 | -93.2 | 56.8 | 0 | 0 | 0 | 110.6 | K61 H62 R66 N67 N70 D489 I490 A493 | K61-L64 HydrophobicContact CB-CB 4.11Å; K61-L64 HydrophobicContact CB-CD1 4.35Å; K61-L64 HydrophobicContact CB-CD2 4.31Å; K61-L64 HydrophobicContact CB-CG 4.49Å; K61-L64 WeakPolarHBondContact O-CB 3.46Å; K61-L64 PolarHBondContact O-N 2.96Å; H62-L64 VanDerWaalsContact C-N 3.29Å; H62-L64 PolarHBondContact O-N 3.33Å; L64-R66 PolarHBondContact O-N 3.23Å; L64-N67 WeakPolarHBondContact O-CB 3.39Å; L64-N67 PolarHBondContact O-N 2.82Å; L64-N70 WeakPolarHBondContact O-CB 3.09Å; L64-N70 PolarHBondContact O-ND2 2.9Å; L64-D489 HydrophobicContact CD1-CB 4.07Å; L64-I490 HydrophobicContact CD2-CG1 4.17Å; L64-A493 HydrophobicContact CD2-CB 3.82Å |
| 65 | R | 93.8 | Very high | 93.6 | Very high | 131 Ų | 131 | 53.5 Ų | 53.5 | 49% | 0.494 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.6 | -32.5 | 177 | 179.1 | 167 | 49.1 | 133.1 | -3.7 | 113.2 | K61 H62 N67 C71 | K61-R65 PolarHBondContact O-N 3.17Å; H62-R65 PolarHBondContact O-N 2.96Å; R65-N67 PolarHBondContact O-N 3.44Å; R65-C71 PolarHBondContact O-SG 3.44Å |
| 66 | R | 90.7 | Very high | 93.6 | Very high | 177 Ų | 177 | 51.9 Ų | 51.9 | 67% | 0.668 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -16.7 | 176.7 | -155 | -177.7 | 78.7 | 92.2 | -2.7 | 113.7 | H62 L64 V68 H163 | H62-R66 PolarHBondContact O-N 3.43Å; L64-R66 PolarHBondContact O-N 3.23Å; R66-V68 PolarHBondContact O-N 2.86Å; R66-H163 PolarHBondContact O-CE1 3.19Å; R66-H163 VanDerWaalsContact O-CE1 3.31Å; R66-H163 PolarHBondContact O-NE2 2.86Å |
| 67 | N | 89.7 | Confident | 93.8 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.5 | 112.9 | 173.5 | -179.7 | 13 | 0 | 0 | 0 | 109 | L64 R65 T69 N70 C71 | L64-N67 WeakPolarHBondContact O-CB 3.39Å; L64-N67 PolarHBondContact O-N 2.82Å; R65-N67 PolarHBondContact O-N 3.44Å; N67-T69 PolarHBondContact O-N 2.88Å; N67-T69 VanDerWaalsContact O-N 3.17Å; N67-T69 PolarHBondContact OD1-N 3.03Å; N67-N70 HydrophobicContact CB-CB 4.36Å; N67-N70 PolarHBondContact ND2-OD1 3.39Å; N67-N70 WeakPolarHBondContact O-CA 3.32Å; N67-N70 WeakPolarHBondContact O-CB 3.32Å; N67-N70 PolarHBondContact O-N 3.09Å; N67-C71 PolarHBondContact O-N 3.12Å |
| 68 | V | 90.7 | Very high | 94 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.9 | -36.2 | -176.7 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | R66 N70 C71 F72 E146 Y157 V161 | R66-V68 PolarHBondContact O-N 2.86Å; V68-N70 PolarHBondContact O-N 2.93Å; V68-C71 WeakPolarHBondContact O-CB 3.37Å; V68-C71 PolarHBondContact O-N 3.24Å; V68-F72 WeakPolarHBondContact O-CD2 3.34Å; V68-F72 PolarHBondContact O-N 2.72Å; V68-E146 HydrophobicContact CG2-CG 4.3Å; V68-Y157 WeakPolarHBondContact CG2-OH 3.35Å; V68-V161 HydrophobicContact CB-CG1 4.5Å; V68-V161 HydrophobicContact CG1-CG1 4.47Å; V68-V161 HydrophobicContact CG2-CG1 3.95Å |
| 69 | T | 91.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -35.9 | 176 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | N67 C71 F72 I73 E146 R147 L429 | N67-T69 PolarHBondContact O-N 2.88Å; N67-T69 VanDerWaalsContact O-N 3.17Å; N67-T69 PolarHBondContact OD1-N 3.03Å; T69-C71 VanDerWaalsContact C-N 3.28Å; T69-C71 PolarHBondContact O-N 3.46Å; T69-F72 PolarHBondContact O-N 3.38Å; T69-I73 HydrophobicContact CG2-CD1 4.35Å; T69-I73 WeakPolarHBondContact O-CG1 3.39Å; T69-I73 PolarHBondContact O-N 3.42Å; T69-E146 PolarHBondContact OG1-OE2 2.98Å; T69-R147 PolarHBondContact OG1-NH2 2.92Å; T69-L429 HydrophobicContact CG2-CD1 3.71Å; T69-L429 HydrophobicContact CG2-CD2 4.39Å |
| 70 | N | 93.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.5 | -26.2 | 178.5 | -65 | -14.9 | 0 | 0 | 0 | 111.6 | I58 L64 N67 V68 F72 I73 A74 | I58-N70 HydrophobicContact CD1-CB 4.42Å; I58-N70 WeakPolarHBondContact CD1-O 3.43Å; I58-N70 HydrophobicContact CG1-CB 4.5Å; I58-N70 HydrophobicContact CG2-CB 4.44Å; L64-N70 WeakPolarHBondContact O-CB 3.09Å; L64-N70 PolarHBondContact O-ND2 2.9Å; N67-N70 HydrophobicContact CB-CB 4.36Å; N67-N70 PolarHBondContact ND2-OD1 3.39Å; N67-N70 WeakPolarHBondContact O-CA 3.32Å; N67-N70 WeakPolarHBondContact O-CB 3.32Å; N67-N70 PolarHBondContact O-N 3.09Å; V68-N70 PolarHBondContact O-N 2.93Å; N70-F72 VanDerWaalsContact C-N 3.35Å; N70-I73 PolarHBondContact O-N 3.49Å; N70-A74 WeakPolarHBondContact O-CB 3.39Å; N70-A74 PolarHBondContact O-N 3.11Å |
| 71 | C | 94.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 17% | 0.169 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 171.9 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | R65 N67 V68 T69 A74 S75 I170 | R65-C71 PolarHBondContact O-SG 3.44Å; N67-C71 PolarHBondContact O-N 3.12Å; V68-C71 WeakPolarHBondContact O-CB 3.37Å; V68-C71 PolarHBondContact O-N 3.24Å; T69-C71 VanDerWaalsContact C-N 3.28Å; T69-C71 PolarHBondContact O-N 3.46Å; C71-A74 WeakPolarHBondContact O-CB 3.4Å; C71-A74 PolarHBondContact O-N 3.18Å; C71-S75 PolarHBondContact O-N 2.89Å; C71-I170 HydrophobicContact CB-CD1 4.03Å |
| 72 | F | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -39 | 173.6 | -67 | -73.1 | 0 | 0 | 0 | 112.4 | V68 T69 N70 A74 S75 L76 A142 I143 E146 C166 M169 I170 | V68-F72 WeakPolarHBondContact O-CD2 3.34Å; V68-F72 PolarHBondContact O-N 2.72Å; T69-F72 PolarHBondContact O-N 3.38Å; N70-F72 VanDerWaalsContact C-N 3.35Å; F72-A74 VanDerWaalsContact C-N 3.28Å; F72-A74 PolarHBondContact O-N 3.4Å; F72-S75 WeakPolarHBondContact O-CB 3.43Å; F72-S75 PolarHBondContact O-N 2.85Å; F72-L76 WeakPolarHBondContact O-CB 3.36Å; F72-L76 PolarHBondContact O-N 3.14Å; F72-A142 HydrophobicContact CD1-CB 3.82Å; F72-A142 HydrophobicContact CE1-CB 3.58Å; F72-A142 HydrophobicContact CZ-CB 4.37Å; F72-I143 HydrophobicContact CB-CD1 3.91Å; F72-I143 HydrophobicContact CB-CG1 3.4Å; F72-I143 VanDerWaalsContact CB-CG1 3.4Å; F72-I143 HydrophobicContact CG-CG1 4.03Å; F72-E146 HydrophobicContact CD2-CG 4.44Å; F72-E146 HydrophobicContact CE2-CB 4.16Å; F72-E146 HydrophobicContact CE2-CG 3.93Å; F72-C166 HydrophobicContact CE2-CB 3.97Å; F72-C166 HydrophobicContact CZ-CB 3.91Å; F72-M169 HydrophobicContact CE1-CB 3.97Å; F72-M169 HydrophobicContact CE1-CE 4.47Å; F72-M169 HydrophobicContact CZ-CB 4.13Å; F72-M169 HydrophobicContact CZ-CE 4.18Å; F72-M169 HydrophobicContact CZ-SD 4.08Å; F72-I170 HydrophobicContact CD1-CD1 4.12Å; F72-I170 HydrophobicContact CD1-CG1 3.65Å; F72-I170 HydrophobicContact CE1-CD1 4.34Å; F72-I170 HydrophobicContact CE1-CG1 3.7Å |
| 73 | I | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 173.2 | -66.9 | 169.5 | 0 | 0 | 0 | 111 | V54 I58 T69 N70 L76 A77 L429 Y483 L487 I490 | V54-I73 HydrophobicContact CG1-CG2 3.94Å; I58-I73 HydrophobicContact CD1-CB 4.43Å; I58-I73 HydrophobicContact CD1-CG2 4.1Å; T69-I73 HydrophobicContact CG2-CD1 4.35Å; T69-I73 WeakPolarHBondContact O-CG1 3.39Å; T69-I73 PolarHBondContact O-N 3.42Å; N70-I73 PolarHBondContact O-N 3.49Å; I73-L76 PolarHBondContact O-N 2.71Å; I73-A77 WeakPolarHBondContact O-CB 3.5Å; I73-A77 PolarHBondContact O-N 2.87Å; I73-L429 HydrophobicContact CD1-CD2 4.17Å; I73-L429 HydrophobicContact CG1-CD2 4.29Å; I73-Y483 HydrophobicContact CD1-CE1 4.21Å; I73-Y483 HydrophobicContact CG1-CE1 4.25Å; I73-Y483 HydrophobicContact CG2-CD1 4.47Å; I73-Y483 HydrophobicContact CG2-CD2 4.17Å; I73-Y483 HydrophobicContact CG2-CE1 4Å; I73-Y483 HydrophobicContact CG2-CE2 3.7Å; I73-L487 HydrophobicContact CD1-CD1 3.77Å; I73-I490 HydrophobicContact CD1-CD1 4.36Å |
| 74 | A | 97 | Very high | 95.7 | Very high | 16 Ų | 16 | 27.6 Ų | 27.6 | 13% | 0.132 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L55 I58 N70 C71 F72 L76 A77 A78 | L55-A74 HydrophobicContact CD2-CB 4.08Å; L55-A74 VanDerWaalsContact CD2-O 3.26Å; L55-A74 WeakPolarHBondContact CD2-O 3.33Å; I58-A74 HydrophobicContact CD1-CB 3.9Å; I58-A74 HydrophobicContact CG2-CB 4.18Å; N70-A74 WeakPolarHBondContact O-CB 3.39Å; N70-A74 PolarHBondContact O-N 3.11Å; C71-A74 WeakPolarHBondContact O-CB 3.4Å; C71-A74 PolarHBondContact O-N 3.18Å; F72-A74 VanDerWaalsContact C-N 3.28Å; F72-A74 PolarHBondContact O-N 3.4Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 3.3Å; A74-A77 PolarHBondContact O-N 2.79Å; A74-A78 PolarHBondContact O-N 2.9Å |
| 75 | S | 98.1 | Very high | 96 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | C71 F72 A78 A79 N139 I170 W174 | C71-S75 PolarHBondContact O-N 2.89Å; F72-S75 WeakPolarHBondContact O-CB 3.43Å; F72-S75 PolarHBondContact O-N 2.85Å; S75-A78 WeakPolarHBondContact O-CB 3.29Å; S75-A78 PolarHBondContact O-N 2.9Å; S75-A79 PolarHBondContact O-N 2.88Å; S75-A79 VanDerWaalsContact O-N 3.12Å; S75-N139 WeakPolarHBondContact CB-OD1 3.33Å; S75-N139 VanDerWaalsContact OG-CG 3.28Å; S75-N139 PolarHBondContact OG-ND2 3.5Å; S75-N139 PolarHBondContact OG-OD1 3.13Å; S75-I170 WeakPolarHBondContact OG-CG2 3.32Å; S75-W174 PolarHBondContact OG-NE1 3.48Å |
| 76 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 174 | -178.5 | 58.9 | 0 | 0 | 0 | 111.9 | F72 I73 A74 A78 A79 D80 N139 L140 V432 Y483 | F72-L76 WeakPolarHBondContact O-CB 3.36Å; F72-L76 PolarHBondContact O-N 3.14Å; I73-L76 PolarHBondContact O-N 2.71Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 3.3Å; L76-A78 VanDerWaalsContact C-N 3.26Å; L76-A78 PolarHBondContact O-N 3.39Å; L76-A79 WeakPolarHBondContact O-CB 3.28Å; L76-A79 PolarHBondContact O-N 3.41Å; L76-A79 VanDerWaalsContact O-N 3.13Å; L76-D80 PolarHBondContact O-N 3.39Å; L76-N139 HydrophobicContact CB-CB 4.39Å; L76-L140 HydrophobicContact CD2-CD2 3.73Å; L76-L140 HydrophobicContact CD2-CG 4.43Å; L76-V432 HydrophobicContact CD2-CG1 4.05Å; L76-Y483 WeakPolarHBondContact CD2-OH 3.2Å |
| 77 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.5 | -30.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N51 V54 L55 I73 A74 L81 | N51-A77 HydrophobicContact CB-CB 4.33Å; V54-A77 HydrophobicContact CB-CB 3.87Å; V54-A77 HydrophobicContact CG1-CB 3.62Å; L55-A77 HydrophobicContact CD2-CB 4.27Å; L55-A77 HydrophobicContact CG-CB 4.16Å; I73-A77 WeakPolarHBondContact O-CB 3.5Å; I73-A77 PolarHBondContact O-N 2.87Å; A74-A77 PolarHBondContact O-N 2.79Å; A77-L81 WeakPolarHBondContact O-CB 3.25Å; A77-L81 PolarHBondContact O-N 2.89Å |
| 78 | A | 98.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 13.3 Ų | 13.3 | 27% | 0.273 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | L55 A74 S75 L76 L81 L82 W174 | L55-A78 HydrophobicContact CD2-CB 4.43Å; A74-A78 PolarHBondContact O-N 2.9Å; S75-A78 WeakPolarHBondContact O-CB 3.29Å; S75-A78 PolarHBondContact O-N 2.9Å; L76-A78 VanDerWaalsContact C-N 3.26Å; L76-A78 PolarHBondContact O-N 3.39Å; A78-L81 PolarHBondContact O-N 3.38Å; A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 3.13Å; A78-W174 HydrophobicContact CB-CZ2 4.04Å |
| 79 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.9 | -45.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S75 L76 L81 L82 L83 A135 W174 | S75-A79 PolarHBondContact O-N 2.88Å; S75-A79 VanDerWaalsContact O-N 3.12Å; L76-A79 WeakPolarHBondContact O-CB 3.28Å; L76-A79 PolarHBondContact O-N 3.41Å; L76-A79 VanDerWaalsContact O-N 3.13Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 2.71Å; A79-L82 PolarHBondContact O-N 2.8Å; A79-L83 PolarHBondContact O-N 2.91Å; A79-A135 HydrophobicContact CB-CB 3.98Å; A79-W174 HydrophobicContact CB-CH2 4.03Å; A79-W174 HydrophobicContact CB-CZ2 4.16Å |
| 80 | D | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 176.7 | -71.1 | -33.1 | 0 | 0 | 0 | 112.5 | N51 L76 L83 G84 S476 N479 | N51-D80 WeakPolarHBondContact ND2-CB 3.37Å; L76-D80 PolarHBondContact O-N 3.39Å; D80-L83 PolarHBondContact O-N 2.91Å; D80-G84 PolarHBondContact O-N 3.11Å; D80-S476 WeakPolarHBondContact OD1-CA 3.28Å; D80-S476 VanDerWaalsContact OD1-CB 3.24Å; D80-S476 WeakPolarHBondContact OD1-CB 3.34Å; D80-S476 PolarHBondContact OD1-OG 3.04Å; D80-N479 PolarHBondContact OD2-ND2 2.93Å |
| 81 | L | 98.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 16.3 Ų | 16.3 | 18% | 0.178 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 173.9 | 177.8 | 61.7 | 0 | 0 | 0 | 111.4 | I48 N51 L52 L55 A77 A78 A79 L83 G84 A85 | I48-L81 HydrophobicContact CB-CD1 4.26Å; I48-L81 HydrophobicContact CG1-CD1 4.43Å; I48-L81 HydrophobicContact CG2-CD1 3.83Å; N51-L81 HydrophobicContact CB-CB 4.1Å; L52-L81 HydrophobicContact CD2-CD1 4.23Å; L52-L81 HydrophobicContact CD2-CD2 3.66Å; L52-L81 HydrophobicContact CG-CD1 3.87Å; L52-L81 HydrophobicContact CG-CD2 4.17Å; L55-L81 HydrophobicContact CD1-CD2 3.68Å; A77-L81 WeakPolarHBondContact O-CB 3.25Å; A77-L81 PolarHBondContact O-N 2.89Å; A78-L81 PolarHBondContact O-N 3.38Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 2.71Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-G84 PolarHBondContact O-N 3.39Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.18Å |
| 82 | L | 98.6 | Very high | 97.5 | Very high | 40 Ų | 40 | 15.3 Ų | 15.3 | 21% | 0.209 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.3 | -173.8 | 65.1 | 0 | 0 | 0 | 111.2 | A78 A79 I86 F128 L131 T132 W174 | A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 3.13Å; A79-L82 PolarHBondContact O-N 2.8Å; L82-I86 HydrophobicContact CD1-CD1 3.4Å; L82-I86 VanDerWaalsContact CD1-CD1 3.4Å; L82-I86 HydrophobicContact CD1-CG1 3.94Å; L82-I86 WeakPolarHBondContact O-CB 3.34Å; L82-I86 PolarHBondContact O-N 2.8Å; L82-F128 HydrophobicContact CD1-CE1 4.46Å; L82-F128 HydrophobicContact CD2-CD1 4.13Å; L82-F128 HydrophobicContact CD2-CE1 4.32Å; L82-F128 HydrophobicContact CG-CD1 4.41Å; L82-L131 HydrophobicContact CD2-CD2 3.74Å; L82-T132 HydrophobicContact CB-CG2 3.81Å; L82-T132 HydrophobicContact CD2-CG2 3.76Å; L82-T132 HydrophobicContact CG-CG2 3.73Å; L82-W174 HydrophobicContact CD2-CZ3 4.19Å |
| 83 | L | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -60.6 | -50.5 | 172.4 | -174.2 | 81 | 0 | 0 | 0 | 110.9 | A79 D80 L81 A85 V87 M88 T132 Y473 S476 | A79-L83 PolarHBondContact O-N 2.91Å; D80-L83 PolarHBondContact O-N 2.91Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 3.31Å; L83-V87 HydrophobicContact CD1-CB 3.59Å; L83-V87 HydrophobicContact CD1-CG1 3.7Å; L83-V87 HydrophobicContact CD1-CG2 3.9Å; L83-V87 HydrophobicContact CG-CB 4.22Å; L83-V87 WeakPolarHBondContact O-CA 3.39Å; L83-V87 WeakPolarHBondContact O-CB 3.25Å; L83-V87 PolarHBondContact O-N 3.25Å; L83-M88 HydrophobicContact CD2-CE 4.27Å; L83-M88 PolarHBondContact O-N 2.82Å; L83-T132 HydrophobicContact CB-CG2 4.17Å; L83-T132 WeakPolarHBondContact CD1-OG1 3.15Å; L83-Y473 HydrophobicContact CD1-CD1 3.89Å; L83-Y473 HydrophobicContact CD1-CE1 3.88Å; L83-Y473 HydrophobicContact CD2-CD1 3.98Å; L83-Y473 HydrophobicContact CD2-CG 4.42Å; L83-Y473 HydrophobicContact CG-CD1 4.38Å; L83-S476 WeakPolarHBondContact CD2-OG 3.37Å |
| 84 | G | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -65.2 | -34.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | D80 L81 P89 | D80-G84 PolarHBondContact O-N 3.11Å; L81-G84 PolarHBondContact O-N 3.39Å; G84-P89 WeakPolarHBondContact O-CD 3.34Å |
| 85 | A | 98.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 20.6 Ų | 20.6 | 41% | 0.413 | 12% | 0.122 | S | C | . | . | I | π-helix | trans | -89.3 | -33.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I48 L81 L83 | I48-A85 HydrophobicContact CD1-CB 4.29Å; I48-A85 HydrophobicContact CG1-CB 4.46Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.18Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 3.31Å |
| 86 | I | 97.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 21.2 Ų | 21.2 | 22% | 0.221 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -107.8 | -54.4 | -178.5 | -58.5 | -171 | 0 | 0 | 0 | 110.6 | L82 F90 W121 F128 | L82-I86 HydrophobicContact CD1-CD1 3.4Å; L82-I86 VanDerWaalsContact CD1-CD1 3.4Å; L82-I86 HydrophobicContact CD1-CG1 3.94Å; L82-I86 WeakPolarHBondContact O-CB 3.34Å; L82-I86 PolarHBondContact O-N 2.8Å; I86-F90 WeakPolarHBondContact O-CD2 3.43Å; I86-W121 HydrophobicContact CG2-CH2 4.43Å; I86-W121 HydrophobicContact CG2-CZ2 4.3Å; I86-F128 HydrophobicContact CD1-CE1 4.35Å; I86-F128 HydrophobicContact CD1-CZ 4.39Å; I86-F128 HydrophobicContact CG2-CB 4.43Å; I86-F128 HydrophobicContact CG2-CD2 4.06Å; I86-F128 HydrophobicContact CG2-CG 4.2Å |
| 87 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -74.2 | -48 | -168.7 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | L83 F90 A91 W125 F128 D129 Y473 | L83-V87 HydrophobicContact CD1-CB 3.59Å; L83-V87 HydrophobicContact CD1-CG1 3.7Å; L83-V87 HydrophobicContact CD1-CG2 3.9Å; L83-V87 HydrophobicContact CG-CB 4.22Å; L83-V87 WeakPolarHBondContact O-CA 3.39Å; L83-V87 WeakPolarHBondContact O-CB 3.25Å; L83-V87 PolarHBondContact O-N 3.25Å; V87-F90 PolarHBondContact O-N 2.83Å; V87-A91 WeakPolarHBondContact O-CB 3.35Å; V87-A91 PolarHBondContact O-N 3.49Å; V87-W125 PolarHBondContact O-NE1 3.25Å; V87-F128 HydrophobicContact CG2-CB 3.84Å; V87-D129 HydrophobicContact CG1-CB 3.96Å; V87-D129 HydrophobicContact CG2-CB 4.48Å; V87-Y473 HydrophobicContact CG1-CE1 4.05Å; V87-Y473 HydrophobicContact CG1-CE2 4.24Å; V87-Y473 WeakPolarHBondContact CG1-OH 3.33Å |
| 88 | M | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | -174.8 | -71.3 | -178 | 172.4 | 0 | 0 | 114.1 | I44 T47 L83 F90 A91 V92 Y473 | I44-M88 HydrophobicContact CD1-CB 3.96Å; I44-M88 HydrophobicContact CG1-CB 3.73Å; I44-M88 HydrophobicContact CG1-SD 3.98Å; T47-M88 HydrophobicContact CG2-CE 4.05Å; T47-M88 HydrophobicContact CG2-SD 4.22Å; L83-M88 HydrophobicContact CD2-CE 4.27Å; L83-M88 PolarHBondContact O-N 2.82Å; M88-F90 VanDerWaalsContact C-N 3.35Å; M88-F90 PolarHBondContact O-N 2.96Å; M88-A91 WeakPolarHBondContact O-CB 3.44Å; M88-A91 PolarHBondContact O-N 2.82Å; M88-V92 WeakPolarHBondContact O-CG2 3.46Å; M88-V92 PolarHBondContact O-N 2.99Å; M88-Y473 WeakPolarHBondContact CE-O 3.22Å; M88-Y473 HydrophobicContact CG-CD2 4.37Å |
| 89 | P | 96.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 25% | 0.253 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.9 | -42.9 | -179.2 | -26.8 | 36.9 | 0 | 0 | 0 | 112.9 | I44 G84 V92 I93 | I44-P89 HydrophobicContact CD1-CG 4.35Å; G84-P89 WeakPolarHBondContact O-CD 3.34Å; P89-V92 PolarHBondContact O-N 3.5Å; P89-I93 VanDerWaalsContact O-CG1 3.31Å; P89-I93 WeakPolarHBondContact O-CG1 3.49Å; P89-I93 PolarHBondContact O-N 2.81Å |
| 90 | F | 96 | Very high | 94.3 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 19% | 0.193 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.4 | -33 | 176.7 | -67 | -78.3 | 0 | 0 | 0 | 112.1 | I86 V87 M88 V92 I93 D94 W115 F117 W121 W125 | I86-F90 WeakPolarHBondContact O-CD2 3.43Å; V87-F90 PolarHBondContact O-N 2.83Å; M88-F90 VanDerWaalsContact C-N 3.35Å; M88-F90 PolarHBondContact O-N 2.96Å; F90-V92 VanDerWaalsContact C-N 3.33Å; F90-V92 PolarHBondContact O-N 3.14Å; F90-I93 HydrophobicContact CD1-CD1 4.45Å; F90-I93 PolarHBondContact O-N 3.2Å; F90-D94 WeakPolarHBondContact O-CB 3.27Å; F90-D94 PolarHBondContact O-N 2.85Å; F90-W115 HydrophobicContact CB-CH2 4.03Å; F90-W115 HydrophobicContact CB-CZ3 4.34Å; F90-W115 HydrophobicContact CD1-CH2 4.31Å; F90-W115 HydrophobicContact CG-CH2 4.45Å; F90-F117 AromaticContact CD1-CD2 3.93Å; F90-F117 HydrophobicContact CD1-CD2 3.93Å; F90-F117 HydrophobicContact CD1-CE1 4.3Å; F90-F117 AromaticContact CD1-CE2 3.63Å; F90-F117 HydrophobicContact CD1-CE2 3.63Å; F90-F117 HydrophobicContact CD1-CG 4.39Å; F90-F117 AromaticContact CD1-CZ 3.83Å; F90-F117 HydrophobicContact CD1-CZ 3.83Å; F90-F117 HydrophobicContact CE1-CD1 4.03Å; F90-F117 HydrophobicContact CE1-CD2 4.2Å; F90-F117 AromaticContact CE1-CE1 3.8Å; F90-F117 HydrophobicContact CE1-CE1 3.8Å; F90-F117 AromaticContact CE1-CE2 3.98Å; F90-F117 HydrophobicContact CE1-CE2 3.98Å; F90-F117 HydrophobicContact CE1-CG 4.23Å; F90-F117 AromaticContact CE1-CZ 3.78Å; F90-F117 HydrophobicContact CE1-CZ 3.78Å; F90-W121 AromaticContact CD1-NE1 3.33Å; F90-W121 VanDerWaalsContact CD1-NE1 3.33Å; F90-W121 AromaticContact CD2-CZ2 3.97Å; F90-W121 HydrophobicContact CD2-CZ2 3.97Å; F90-W121 AromaticContact CD2-NE1 3.64Å; F90-W121 AromaticContact CE1-CD1 3.89Å; F90-W121 HydrophobicContact CE1-CZ2 4.48Å; F90-W121 AromaticContact CE1-NE1 3.13Å; F90-W121 AromaticContact CE2-CE2 3.76Å; F90-W121 AromaticContact CE2-CZ2 3.42Å; F90-W121 HydrophobicContact CE2-CZ2 3.42Å; F90-W121 VanDerWaalsContact CE2-CZ2 3.42Å; F90-W121 AromaticContact CE2-NE1 3.53Å; F90-W121 AromaticContact CG-NE1 3.61Å; F90-W121 AromaticContact CZ-CE2 3.68Å; F90-W121 AromaticContact CZ-CZ2 3.71Å; F90-W121 HydrophobicContact CZ-CZ2 3.71Å; F90-W121 AromaticContact CZ-NE1 3.26Å; F90-W121 VanDerWaalsContact CZ-NE1 3.26Å; F90-W125 HydrophobicContact CB-CD2 4.48Å; F90-W125 HydrophobicContact CB-CG 4.3Å |
| 91 | A | 95.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 5% | 0.05 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V87 M88 L95 W125 W470 Y473 | V87-A91 WeakPolarHBondContact O-CB 3.35Å; V87-A91 PolarHBondContact O-N 3.49Å; M88-A91 WeakPolarHBondContact O-CB 3.44Å; M88-A91 PolarHBondContact O-N 2.82Å; A91-L95 VanDerWaalsContact O-CB 3.32Å; A91-L95 WeakPolarHBondContact O-CB 3.36Å; A91-L95 PolarHBondContact O-N 2.94Å; A91-W125 HydrophobicContact CB-CZ2 3.79Å; A91-W470 HydrophobicContact CB-CZ2 4.2Å; A91-Y473 HydrophobicContact CB-CE2 3.75Å |
| 92 | V | 95.1 | Very high | 93 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68 | -42.9 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | F37 F40 I44 M88 P89 F90 D94 L95 L96 W470 | F37-V92 HydrophobicContact CD2-CG1 4.41Å; F40-V92 HydrophobicContact CB-CG1 4.04Å; F40-V92 HydrophobicContact CB-CG2 3.59Å; F40-V92 HydrophobicContact CD1-CG2 4.18Å; F40-V92 HydrophobicContact CD2-CG1 4.28Å; F40-V92 HydrophobicContact CD2-CG2 4.31Å; F40-V92 HydrophobicContact CG-CG1 4.39Å; F40-V92 HydrophobicContact CG-CG2 3.8Å; I44-V92 HydrophobicContact CD1-CG2 3.79Å; M88-V92 WeakPolarHBondContact O-CG2 3.46Å; M88-V92 PolarHBondContact O-N 2.99Å; P89-V92 PolarHBondContact O-N 3.5Å; F90-V92 VanDerWaalsContact C-N 3.33Å; F90-V92 PolarHBondContact O-N 3.14Å; V92-D94 VanDerWaalsContact C-N 3.34Å; V92-L95 PolarHBondContact O-N 3.44Å; V92-L96 HydrophobicContact CG1-CD1 3.55Å; V92-L96 HydrophobicContact CG1-CG 4.1Å; V92-L96 WeakPolarHBondContact O-CB 3.44Å; V92-L96 VanDerWaalsContact O-CG 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.27Å; V92-L96 PolarHBondContact O-N 3.14Å; V92-W470 HydrophobicContact CG2-CH2 3.42Å; V92-W470 VanDerWaalsContact CG2-CH2 3.42Å; V92-W470 HydrophobicContact CG2-CZ2 3.56Å |
| 93 | I | 92.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 38 Ų | 38 | 30% | 0.297 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 178.2 | -67.5 | 165.8 | 0 | 0 | 0 | 110.4 | P89 F90 L96 R97 F117 | P89-I93 VanDerWaalsContact O-CG1 3.31Å; P89-I93 WeakPolarHBondContact O-CG1 3.49Å; P89-I93 PolarHBondContact O-N 2.81Å; F90-I93 HydrophobicContact CD1-CD1 4.45Å; F90-I93 PolarHBondContact O-N 3.2Å; I93-L96 PolarHBondContact O-N 2.93Å; I93-R97 HydrophobicContact CG2-CG 4.4Å; I93-R97 VanDerWaalsContact O-CB 3.31Å; I93-R97 WeakPolarHBondContact O-CB 3.31Å; I93-R97 VanDerWaalsContact O-CG 3.24Å; I93-R97 WeakPolarHBondContact O-CG 3.39Å; I93-R97 PolarHBondContact O-N 3.33Å; I93-F117 HydrophobicContact CD1-CE2 4.49Å; I93-F117 HydrophobicContact CD1-CZ 3.97Å; I93-F117 HydrophobicContact CG2-CE2 3.87Å; I93-F117 HydrophobicContact CG2-CZ 4.02Å |
| 94 | D | 90.7 | Very high | 91.5 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 176.6 | -175.1 | 67.5 | 0 | 0 | 0 | 111.7 | F90 V92 L96 R97 S98 W115 | F90-D94 WeakPolarHBondContact O-CB 3.27Å; F90-D94 PolarHBondContact O-N 2.85Å; V92-D94 VanDerWaalsContact C-N 3.34Å; D94-L96 PolarHBondContact O-N 2.94Å; D94-R97 PolarHBondContact O-N 3.38Å; D94-S98 PolarHBondContact O-N 3.45Å; D94-W115 HydrophobicContact CB-CE3 4.46Å; D94-W115 HydrophobicContact CB-CZ3 4.34Å |
| 95 | L | 90.4 | Very high | 90.8 | Very high | 33 Ų | 33 | 43 Ų | 43 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.6 | 177.7 | 62.2 | 0 | 0 | 0 | 112.9 | F40 A91 V92 S98 I99 | F40-L95 HydrophobicContact CE2-CD2 3.43Å; F40-L95 VanDerWaalsContact CE2-CD2 3.43Å; F40-L95 HydrophobicContact CZ-CD2 3.45Å; F40-L95 VanDerWaalsContact CZ-CD2 3.45Å; A91-L95 VanDerWaalsContact O-CB 3.32Å; A91-L95 WeakPolarHBondContact O-CB 3.36Å; A91-L95 PolarHBondContact O-N 2.94Å; V92-L95 PolarHBondContact O-N 3.44Å; L95-S98 WeakPolarHBondContact O-CB 3.37Å; L95-S98 PolarHBondContact O-N 2.85Å; L95-I99 HydrophobicContact CD1-CD1 4.15Å; L95-I99 HydrophobicContact CD1-CG1 4.46Å; L95-I99 HydrophobicContact CG-CD1 4.07Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 3.33Å |
| 96 | L | 90 | Very high | 90 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | -179 | -70.8 | 173.5 | 0 | 0 | 0 | 111.7 | E33 T36 F37 V92 I93 D94 S98 I99 H100 | E33-L96 HydrophobicContact CG-CD2 4.2Å; T36-L96 HydrophobicContact CG2-CD2 4.39Å; F37-L96 HydrophobicContact CB-CD1 3.99Å; F37-L96 HydrophobicContact CB-CD2 4.42Å; F37-L96 HydrophobicContact CD2-CD1 3.46Å; F37-L96 VanDerWaalsContact CD2-CD1 3.46Å; F37-L96 HydrophobicContact CE2-CD1 4.33Å; F37-L96 HydrophobicContact CG-CD1 4.12Å; V92-L96 HydrophobicContact CG1-CD1 3.55Å; V92-L96 HydrophobicContact CG1-CG 4.1Å; V92-L96 WeakPolarHBondContact O-CB 3.44Å; V92-L96 VanDerWaalsContact O-CG 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.27Å; V92-L96 PolarHBondContact O-N 3.14Å; I93-L96 PolarHBondContact O-N 2.93Å; D94-L96 PolarHBondContact O-N 2.94Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.98Å; L96-I99 PolarHBondContact O-N 3.29Å; L96-H100 WeakPolarHBondContact O-CB 3.34Å; L96-H100 PolarHBondContact O-N 3.22Å |
| 97 | R | 90.1 | Very high | 89.3 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 173.8 | -74.3 | -179.2 | 173.6 | -116.4 | -5 | 112.1 | I93 D94 H100 K101 Y112 I113 L114 P116 | I93-R97 HydrophobicContact CG2-CG 4.4Å; I93-R97 VanDerWaalsContact O-CB 3.31Å; I93-R97 WeakPolarHBondContact O-CB 3.31Å; I93-R97 VanDerWaalsContact O-CG 3.24Å; I93-R97 WeakPolarHBondContact O-CG 3.39Å; I93-R97 PolarHBondContact O-N 3.33Å; D94-R97 PolarHBondContact O-N 3.38Å; R97-H100 PolarHBondContact O-N 3.07Å; R97-K101 WeakPolarHBondContact O-CB 3.35Å; R97-K101 PolarHBondContact O-N 3.1Å; R97-Y112 HydrophobicContact CB-CE1 4.18Å; R97-I113 PolarHBondContact NH1-O 3.02Å; R97-I113 VanDerWaalsContact NH1-O 3.07Å; R97-L114 HydrophobicContact CB-CD1 3.84Å; R97-L114 WeakPolarHBondContact CD-O 3.17Å; R97-P116 VanDerWaalsContact CZ-CG 3.48Å |
| 98 | S | 87.7 | Confident | 88.6 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 172.7 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | D94 L95 L96 H100 K101 D102 L114 | D94-S98 PolarHBondContact O-N 3.45Å; L95-S98 WeakPolarHBondContact O-CB 3.37Å; L95-S98 PolarHBondContact O-N 2.85Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.98Å; S98-H100 VanDerWaalsContact C-N 3.32Å; S98-H100 PolarHBondContact O-N 3.38Å; S98-K101 WeakPolarHBondContact O-CB 3.47Å; S98-K101 PolarHBondContact O-N 3.38Å; S98-D102 PolarHBondContact O-N 3.31Å; S98-D102 VanDerWaalsContact O-N 3.07Å; S98-L114 VanDerWaalsContact N-CD1 3.3Å |
| 99 | I | 86 | Confident | 87.9 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177.1 | -68 | 165.5 | 0 | 0 | 0 | 110.6 | L95 L96 D102 G103 | L95-I99 HydrophobicContact CD1-CD1 4.15Å; L95-I99 HydrophobicContact CD1-CG1 4.46Å; L95-I99 HydrophobicContact CG-CD1 4.07Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 3.33Å; L96-I99 PolarHBondContact O-N 3.29Å; I99-D102 PolarHBondContact O-N 2.78Å; I99-G103 PolarHBondContact O-N 3Å |
| 100 | H | 85.8 | Confident | 87 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 32% | 0.324 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.5 | -172 | 83.8 | 0 | 0 | 0 | 111.9 | L96 R97 S98 D102 G103 L104 Y112 | L96-H100 WeakPolarHBondContact O-CB 3.34Å; L96-H100 PolarHBondContact O-N 3.22Å; R97-H100 PolarHBondContact O-N 3.07Å; S98-H100 VanDerWaalsContact C-N 3.32Å; S98-H100 PolarHBondContact O-N 3.38Å; H100-D102 VanDerWaalsContact C-N 3.3Å; H100-D102 PolarHBondContact O-N 3.11Å; H100-G103 PolarHBondContact O-N 3Å; H100-G103 VanDerWaalsContact O-N 3.09Å; H100-L104 PolarHBondContact O-N 3.29Å; H100-Y112 AromaticContact CD2-CE2 3.49Å; H100-Y112 VanDerWaalsContact CD2-CE2 3.49Å; H100-Y112 WeakPolarHBondContact CD2-CE2 3.49Å; H100-Y112 AromaticContact CD2-CZ 3.54Å; H100-Y112 PolarHBondContact CD2-OH 3.45Å; H100-Y112 VanDerWaalsContact CD2-OH 3.3Å |
| 101 | K | 85.5 | Confident | 86.2 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 175 | 179.6 | 175.9 | 174.8 | 172.1 | 0 | 111.6 | R97 S98 G103 L104 Q109 Y112 E207 | R97-K101 WeakPolarHBondContact O-CB 3.35Å; R97-K101 PolarHBondContact O-N 3.1Å; S98-K101 WeakPolarHBondContact O-CB 3.47Å; S98-K101 PolarHBondContact O-N 3.38Å; K101-G103 VanDerWaalsContact C-N 3.26Å; K101-G103 PolarHBondContact O-N 3.49Å; K101-L104 PolarHBondContact O-N 3.17Å; K101-Q109 HydrophobicContact CD-CG 4.17Å; K101-Q109 WeakPolarHBondContact CE-O 3.46Å; K101-Q109 HydrophobicContact CG-CG 3.48Å; K101-Q109 VanDerWaalsContact CG-CG 3.48Å; K101-Y112 HydrophobicContact CB-CD1 3.86Å; K101-Y112 HydrophobicContact CB-CE1 4.25Å; K101-Y112 HydrophobicContact CB-CG 4.45Å; K101-Y112 HydrophobicContact CD-CD1 4.33Å; K101-Y112 HydrophobicContact CG-CD1 4.22Å; K101-E207 IonicContact NZ-OE1 2.79Å; K101-E207 PolarHBondContact NZ-OE1 3.15Å |
| 102 | D | 83.8 | Confident | 85.6 | Confident | 111 Ų | 111 | 73 Ų | 73 | 59% | 0.594 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -70.1 | -21.7 | 177.5 | -70.6 | -20.3 | 0 | 0 | 0 | 113.5 | S98 I99 H100 Q109 | S98-D102 PolarHBondContact O-N 3.31Å; S98-D102 VanDerWaalsContact O-N 3.07Å; I99-D102 PolarHBondContact O-N 2.78Å; H100-D102 VanDerWaalsContact C-N 3.3Å; H100-D102 PolarHBondContact O-N 3.11Å; D102-Q109 PolarHBondContact OD1-NE2 3.24Å |
| 103 | G | 82.1 | Confident | 85.1 | Confident | 64 Ų | 64 | 76.8 Ų | 76.8 | 66% | 0.66 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -84 | -14.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I99 H100 K101 | I99-G103 PolarHBondContact O-N 3Å; H100-G103 PolarHBondContact O-N 3Å; H100-G103 VanDerWaalsContact O-N 3.09Å; K101-G103 VanDerWaalsContact C-N 3.26Å; K101-G103 PolarHBondContact O-N 3.49Å |
| 104 | L | 84.3 | Confident | 84.9 | Confident | 40 Ų | 40 | 75 Ų | 75 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -80.8 | 152.1 | 179.9 | -72.5 | 173.6 | 0 | 0 | 0 | 111.8 | H100 K101 Q108 Y112 | H100-L104 PolarHBondContact O-N 3.29Å; K101-L104 PolarHBondContact O-N 3.17Å; L104-Q108 HydrophobicContact CB-CB 4.48Å; L104-Y112 HydrophobicContact CD1-CD2 3.49Å; L104-Y112 VanDerWaalsContact CD1-CD2 3.49Å; L104-Y112 HydrophobicContact CD1-CE2 3.95Å; L104-Y112 HydrophobicContact CD1-CG 4.11Å |
| 105 | P | 83.4 | Confident | 84.8 | Confident | 67 Ų | 67 | 73.4 Ų | 73.4 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | trans | -63.5 | 144.2 | 173.2 | 28.4 | -34.6 | 0 | 0 | 0 | 110.4 | N107 Q108 Q109 | P105-N107 VanDerWaalsContact CB-OD1 3.3Å; P105-N107 WeakPolarHBondContact CB-OD1 3Å; P105-N107 WeakPolarHBondContact CG-OD1 3.42Å; P105-N107 PolarHBondContact O-N 3.01Å; P105-N107 PolarHBondContact O-OD1 3.44Å; P105-Q108 HydrophobicContact CG-CB 4.37Å; P105-Q108 HydrophobicContact CG-CG 4.12Å; P105-Q108 PolarHBondContact O-N 2.84Å; P105-Q109 PolarHBondContact O-N 3.05Å | ||
| 106 | K | 81.9 | Confident | 84.7 | Confident | 175 Ų | 175 | 74.7 Ų | 74.7 | 76% | 0.761 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -49.7 | -36.4 | -171.5 | -70.6 | -176 | 177 | 179.2 | 0 | 114.5 | Q108 Q109 | K106-Q108 VanDerWaalsContact C-N 3.26Å; K106-Q108 PolarHBondContact O-N 3.27Å; K106-Q109 WeakPolarHBondContact O-CB 3.45Å; K106-Q109 PolarHBondContact O-N 2.95Å |
| 107 | N | 82.9 | Confident | 84.8 | Confident | 125 Ų | 125 | 77.4 Ų | 77.4 | 67% | 0.668 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.4 | -25.2 | 178.7 | 60.6 | -27.5 | 0 | 0 | 0 | 114 | P105 | P105-N107 VanDerWaalsContact CB-OD1 3.3Å; P105-N107 WeakPolarHBondContact CB-OD1 3Å; P105-N107 WeakPolarHBondContact CG-OD1 3.42Å; P105-N107 PolarHBondContact O-N 3.01Å; P105-N107 PolarHBondContact O-OD1 3.44Å |
| 108 | Q | 83.2 | Confident | 84.8 | Confident | 101 Ų | 101 | 75.4 Ų | 75.4 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -93.5 | -18.4 | 176.3 | -66 | -179.1 | 11.6 | 0 | 0 | 112.4 | L104 P105 K106 D110 Q111 Y112 | L104-Q108 HydrophobicContact CB-CB 4.48Å; P105-Q108 HydrophobicContact CG-CB 4.37Å; P105-Q108 HydrophobicContact CG-CG 4.12Å; P105-Q108 PolarHBondContact O-N 2.84Å; K106-Q108 VanDerWaalsContact C-N 3.26Å; K106-Q108 PolarHBondContact O-N 3.27Å; Q108-D110 VanDerWaalsContact C-N 3.32Å; Q108-D110 PolarHBondContact O-N 2.89Å; Q108-Q111 PolarHBondContact O-N 2.84Å; Q108-Y112 PolarHBondContact O-N 3.43Å |
| 109 | Q | 83.7 | Confident | 84.7 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 24% | 0.238 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | -175.7 | -159.5 | 175.8 | 9.9 | 0 | 0 | 112.2 | K101 D102 P105 K106 Q111 Y112 | K101-Q109 HydrophobicContact CD-CG 4.17Å; K101-Q109 WeakPolarHBondContact CE-O 3.46Å; K101-Q109 HydrophobicContact CG-CG 3.48Å; K101-Q109 VanDerWaalsContact CG-CG 3.48Å; D102-Q109 PolarHBondContact OD1-NE2 3.24Å; P105-Q109 PolarHBondContact O-N 3.05Å; K106-Q109 WeakPolarHBondContact O-CB 3.45Å; K106-Q109 PolarHBondContact O-N 2.95Å; Q109-Q111 VanDerWaalsContact C-N 3.33Å; Q109-Q111 PolarHBondContact O-N 3.37Å; Q109-Y112 PolarHBondContact O-N 3.11Å |
| 110 | D | 77.1 | Confident | 84.9 | Confident | 139 Ų | 139 | 77.1 Ų | 77.1 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.7 | -178.1 | -66 | -27.2 | 0 | 0 | 0 | 113.2 | Q108 | Q108-D110 VanDerWaalsContact C-N 3.32Å; Q108-D110 PolarHBondContact O-N 2.89Å |
| 111 | Q | 78.7 | Confident | 85.2 | Confident | 170 Ų | 170 | 76.9 Ų | 76.9 | 79% | 0.794 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -6.6 | 179.9 | -164.4 | 178.3 | -25 | 0 | 0 | 112.6 | Q108 Q109 I113 | Q108-Q111 PolarHBondContact O-N 2.84Å; Q109-Q111 VanDerWaalsContact C-N 3.33Å; Q109-Q111 PolarHBondContact O-N 3.37Å; Q111-I113 PolarHBondContact O-N 3.3Å |
| 112 | Y | 83.4 | Confident | 85.5 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | trans | -75.8 | 123.6 | -175 | -169.8 | -92.4 | 0 | 0 | 0 | 112.1 | R97 H100 K101 L104 Q108 Q109 L114 | R97-Y112 HydrophobicContact CB-CE1 4.18Å; H100-Y112 AromaticContact CD2-CE2 3.49Å; H100-Y112 VanDerWaalsContact CD2-CE2 3.49Å; H100-Y112 WeakPolarHBondContact CD2-CE2 3.49Å; H100-Y112 AromaticContact CD2-CZ 3.54Å; H100-Y112 PolarHBondContact CD2-OH 3.45Å; H100-Y112 VanDerWaalsContact CD2-OH 3.3Å; K101-Y112 HydrophobicContact CB-CD1 3.86Å; K101-Y112 HydrophobicContact CB-CE1 4.25Å; K101-Y112 HydrophobicContact CB-CG 4.45Å; K101-Y112 HydrophobicContact CD-CD1 4.33Å; K101-Y112 HydrophobicContact CG-CD1 4.22Å; L104-Y112 HydrophobicContact CD1-CD2 3.49Å; L104-Y112 VanDerWaalsContact CD1-CD2 3.49Å; L104-Y112 HydrophobicContact CD1-CE2 3.95Å; L104-Y112 HydrophobicContact CD1-CG 4.11Å; Q108-Y112 PolarHBondContact O-N 3.43Å; Q109-Y112 PolarHBondContact O-N 3.11Å; Y112-L114 PolarHBondContact O-N 3.43Å | ||
| 113 | I | 84.5 | Confident | 85.9 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 43% | 0.431 | 38% | 0.383 | S | S | . | . | trans | -79.7 | 103.6 | 178.8 | -48.1 | 179.6 | 0 | 0 | 0 | 109.5 | R97 Q111 L206 | R97-I113 PolarHBondContact NH1-O 3.02Å; R97-I113 VanDerWaalsContact NH1-O 3.07Å; Q111-I113 PolarHBondContact O-N 3.3Å; I113-L206 HydrophobicContact CB-CD2 4.19Å; I113-L206 HydrophobicContact CD1-CD2 4.45Å; I113-L206 HydrophobicContact CG1-CD2 3.68Å; I113-L206 HydrophobicContact CG2-CD2 4.14Å | ||
| 114 | L | 87.1 | Confident | 86.5 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -69.9 | -43 | 178 | -172.3 | 65.6 | 0 | 0 | 0 | 111.2 | R97 S98 Y112 L206 E207 | R97-L114 HydrophobicContact CB-CD1 3.84Å; R97-L114 WeakPolarHBondContact CD-O 3.17Å; S98-L114 VanDerWaalsContact N-CD1 3.3Å; Y112-L114 PolarHBondContact O-N 3.43Å; L114-L206 CarbonylContact C-O 3.58Å; L114-L206 WeakPolarHBondContact CA-O 3.34Å; L114-L206 VanDerWaalsContact CB-O 3.31Å; L114-L206 WeakPolarHBondContact CB-O 3.21Å; L114-L206 PolarHBondContact N-O 2.85Å; L114-E207 HydrophobicContact CB-CG 4.1Å; L114-E207 HydrophobicContact CD2-CB 4.37Å; L114-E207 HydrophobicContact CD2-CG 4.1Å |
| 115 | W | 89.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 2% | 0.019 | 36% | 0.36 | C | S | . | . | trans | -118.7 | 99.6 | -178.2 | -174.6 | -98.9 | 0 | 0 | 0 | 112.6 | F90 D94 F117 G118 W121 C122 W125 L206 C208 | F90-W115 HydrophobicContact CB-CH2 4.03Å; F90-W115 HydrophobicContact CB-CZ3 4.34Å; F90-W115 HydrophobicContact CD1-CH2 4.31Å; F90-W115 HydrophobicContact CG-CH2 4.45Å; D94-W115 HydrophobicContact CB-CE3 4.46Å; D94-W115 HydrophobicContact CB-CZ3 4.34Å; W115-F117 VanDerWaalsContact C-N 3.34Å; W115-F117 AromaticContact CD2-CD2 3.83Å; W115-F117 HydrophobicContact CD2-CD2 3.83Å; W115-F117 AromaticContact CE2-CD2 3.7Å; W115-F117 AromaticContact CE3-CD2 3.98Å; W115-F117 HydrophobicContact CE3-CD2 3.98Å; W115-F117 HydrophobicContact CE3-CE2 4.45Å; W115-F117 AromaticContact CH2-CD2 3.95Å; W115-F117 HydrophobicContact CH2-CD2 3.95Å; W115-F117 HydrophobicContact CZ2-CB 4.06Å; W115-F117 AromaticContact CZ2-CD2 3.79Å; W115-F117 HydrophobicContact CZ2-CD2 3.79Å; W115-F117 HydrophobicContact CZ2-CG 4.34Å; W115-F117 HydrophobicContact CZ3-CD2 4.03Å; W115-F117 HydrophobicContact CZ3-CE2 4.38Å; W115-F117 PolarHBondContact O-N 2.82Å; W115-G118 PolarHBondContact NE1-O 3.32Å; W115-W121 AromaticContact CZ2-CD1 3.48Å; W115-W121 VanDerWaalsContact CZ2-CD1 3.48Å; W115-W121 HydrophobicContact CZ2-CG 4.3Å; W115-C122 HydrophobicContact CZ2-CB 4.13Å; W115-W125 HydrophobicContact CH2-CB 4.25Å; W115-W125 AromaticContact CH2-CD2 3.87Å; W115-W125 HydrophobicContact CH2-CD2 3.87Å; W115-W125 AromaticContact CH2-CE3 3.71Å; W115-W125 HydrophobicContact CH2-CE3 3.71Å; W115-W125 HydrophobicContact CH2-CG 4.11Å; W115-W125 HydrophobicContact CH2-CZ3 4.34Å; W115-W125 HydrophobicContact CZ2-CB 4.48Å; W115-W125 HydrophobicContact CZ2-CE3 4.46Å; W115-W125 HydrophobicContact CZ3-CD2 4.37Å; W115-W125 HydrophobicContact CZ3-CE3 4Å; W115-W125 HydrophobicContact CZ3-CZ3 4.16Å; W115-L206 PolarHBondContact N-O 3.25Å; W115-C208 HydrophobicContact CB-CB 3.82Å; W115-C208 HydrophobicContact CD2-CB 3.39Å; W115-C208 HydrophobicContact CE3-CB 3.65Å; W115-C208 HydrophobicContact CG-CB 3.48Å; W115-C208 VanDerWaalsContact CG-CB 3.48Å; W115-C208 HydrophobicContact CZ3-CB 4.32Å | ||
| 116 | P | 89 | Confident | 87.5 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -4.5 | -174.5 | 37.4 | -41.7 | 0 | 0 | 0 | 114.2 | R97 G118 | R97-P116 VanDerWaalsContact CZ-CG 3.48Å; P116-G118 VanDerWaalsContact C-N 3.33Å |
| 117 | F | 91.5 | Very high | 88.2 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.3 | -169.5 | -51.9 | -72.5 | 0 | 0 | 0 | 113.7 | F90 I93 W115 W121 | F90-F117 AromaticContact CD1-CD2 3.93Å; F90-F117 HydrophobicContact CD1-CD2 3.93Å; F90-F117 HydrophobicContact CD1-CE1 4.3Å; F90-F117 AromaticContact CD1-CE2 3.63Å; F90-F117 HydrophobicContact CD1-CE2 3.63Å; F90-F117 HydrophobicContact CD1-CG 4.39Å; F90-F117 AromaticContact CD1-CZ 3.83Å; F90-F117 HydrophobicContact CD1-CZ 3.83Å; F90-F117 HydrophobicContact CE1-CD1 4.03Å; F90-F117 HydrophobicContact CE1-CD2 4.2Å; F90-F117 AromaticContact CE1-CE1 3.8Å; F90-F117 HydrophobicContact CE1-CE1 3.8Å; F90-F117 AromaticContact CE1-CE2 3.98Å; F90-F117 HydrophobicContact CE1-CE2 3.98Å; F90-F117 HydrophobicContact CE1-CG 4.23Å; F90-F117 AromaticContact CE1-CZ 3.78Å; F90-F117 HydrophobicContact CE1-CZ 3.78Å; I93-F117 HydrophobicContact CD1-CE2 4.49Å; I93-F117 HydrophobicContact CD1-CZ 3.97Å; I93-F117 HydrophobicContact CG2-CE2 3.87Å; I93-F117 HydrophobicContact CG2-CZ 4.02Å; W115-F117 VanDerWaalsContact C-N 3.34Å; W115-F117 AromaticContact CD2-CD2 3.83Å; W115-F117 HydrophobicContact CD2-CD2 3.83Å; W115-F117 AromaticContact CE2-CD2 3.7Å; W115-F117 AromaticContact CE3-CD2 3.98Å; W115-F117 HydrophobicContact CE3-CD2 3.98Å; W115-F117 HydrophobicContact CE3-CE2 4.45Å; W115-F117 AromaticContact CH2-CD2 3.95Å; W115-F117 HydrophobicContact CH2-CD2 3.95Å; W115-F117 HydrophobicContact CZ2-CB 4.06Å; W115-F117 AromaticContact CZ2-CD2 3.79Å; W115-F117 HydrophobicContact CZ2-CD2 3.79Å; W115-F117 HydrophobicContact CZ2-CG 4.34Å; W115-F117 HydrophobicContact CZ3-CD2 4.03Å; W115-F117 HydrophobicContact CZ3-CE2 4.38Å; W115-F117 PolarHBondContact O-N 2.82Å; F117-W121 HydrophobicContact CB-CB 3.89Å; F117-W121 VanDerWaalsContact CB-CD1 3.49Å; F117-W121 HydrophobicContact CB-CG 3.98Å; F117-W121 AromaticContact CG-CD1 3.86Å; F117-W121 WeakPolarHBondContact O-CB 3.44Å |
| 118 | G | 89.4 | Confident | 88.9 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | 74 | 168 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W115 P116 T120 W121 C122 | W115-G118 PolarHBondContact NE1-O 3.32Å; P116-G118 VanDerWaalsContact C-N 3.33Å; G118-T120 PolarHBondContact O-N 2.91Å; G118-W121 PolarHBondContact O-N 2.83Å; G118-C122 PolarHBondContact O-N 2.8Å |
| 119 | Q | 86.2 | Confident | 89.5 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.3 | -37.3 | -169.1 | -173.9 | 59.4 | 76.2 | 0 | 0 | 113.7 | W121 C122 D123 R189 | Q119-W121 VanDerWaalsContact C-N 3.3Å; Q119-W121 PolarHBondContact O-N 3.29Å; Q119-C122 WeakPolarHBondContact O-CB 3.23Å; Q119-C122 PolarHBondContact O-N 3.07Å; Q119-D123 PolarHBondContact NE2-OD1 3.1Å; Q119-D123 VanDerWaalsContact O-CG 3.25Å; Q119-D123 PolarHBondContact O-N 3.4Å; Q119-R189 VanDerWaalsContact CD-NH2 3.26Å |
| 120 | T | 89.4 | Confident | 90.1 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 63% | 0.632 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.2 | -39.4 | 179.6 | -46 | 0 | 0 | 0 | 0 | 111.6 | G118 D123 M124 | G118-T120 PolarHBondContact O-N 2.91Å; T120-D123 PolarHBondContact O-N 2.83Å; T120-M124 HydrophobicContact CG2-CE 3.96Å; T120-M124 WeakPolarHBondContact O-CG 3.27Å; T120-M124 PolarHBondContact O-N 3.17Å |
| 121 | W | 93.2 | Very high | 91 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 25% | 0.25 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.4 | -35.7 | 176.6 | -169.3 | -113.1 | 0 | 0 | 0 | 112 | I86 F90 W115 F117 G118 Q119 D123 M124 W125 | I86-W121 HydrophobicContact CG2-CH2 4.43Å; I86-W121 HydrophobicContact CG2-CZ2 4.3Å; F90-W121 AromaticContact CD1-NE1 3.33Å; F90-W121 VanDerWaalsContact CD1-NE1 3.33Å; F90-W121 AromaticContact CD2-CZ2 3.97Å; F90-W121 HydrophobicContact CD2-CZ2 3.97Å; F90-W121 AromaticContact CD2-NE1 3.64Å; F90-W121 AromaticContact CE1-CD1 3.89Å; F90-W121 HydrophobicContact CE1-CZ2 4.48Å; F90-W121 AromaticContact CE1-NE1 3.13Å; F90-W121 AromaticContact CE2-CE2 3.76Å; F90-W121 AromaticContact CE2-CZ2 3.42Å; F90-W121 HydrophobicContact CE2-CZ2 3.42Å; F90-W121 VanDerWaalsContact CE2-CZ2 3.42Å; F90-W121 AromaticContact CE2-NE1 3.53Å; F90-W121 AromaticContact CG-NE1 3.61Å; F90-W121 AromaticContact CZ-CE2 3.68Å; F90-W121 AromaticContact CZ-CZ2 3.71Å; F90-W121 HydrophobicContact CZ-CZ2 3.71Å; F90-W121 AromaticContact CZ-NE1 3.26Å; F90-W121 VanDerWaalsContact CZ-NE1 3.26Å; W115-W121 AromaticContact CZ2-CD1 3.48Å; W115-W121 VanDerWaalsContact CZ2-CD1 3.48Å; W115-W121 HydrophobicContact CZ2-CG 4.3Å; F117-W121 HydrophobicContact CB-CB 3.89Å; F117-W121 VanDerWaalsContact CB-CD1 3.49Å; F117-W121 HydrophobicContact CB-CG 3.98Å; F117-W121 AromaticContact CG-CD1 3.86Å; F117-W121 WeakPolarHBondContact O-CB 3.44Å; G118-W121 PolarHBondContact O-N 2.83Å; Q119-W121 VanDerWaalsContact C-N 3.3Å; Q119-W121 PolarHBondContact O-N 3.29Å; W121-D123 VanDerWaalsContact C-N 3.31Å; W121-D123 PolarHBondContact O-N 3.27Å; W121-M124 HydrophobicContact CE3-CB 4.25Å; W121-M124 HydrophobicContact CE3-CE 3.41Å; W121-M124 VanDerWaalsContact CE3-CE 3.41Å; W121-M124 HydrophobicContact CE3-SD 4.32Å; W121-M124 HydrophobicContact CZ3-CB 4.41Å; W121-M124 HydrophobicContact CZ3-CE 3.87Å; W121-M124 HydrophobicContact CZ3-SD 4.27Å; W121-M124 PolarHBondContact O-N 3.08Å; W121-W125 VanDerWaalsContact O-CB 3.23Å; W121-W125 WeakPolarHBondContact O-CB 3.37Å; W121-W125 PolarHBondContact O-N 2.96Å |
| 122 | C | 92.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 172.7 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | W115 G118 Q119 W125 H126 C208 | W115-C122 HydrophobicContact CZ2-CB 4.13Å; G118-C122 PolarHBondContact O-N 2.8Å; Q119-C122 WeakPolarHBondContact O-CB 3.23Å; Q119-C122 PolarHBondContact O-N 3.07Å; C122-W125 PolarHBondContact O-N 3.37Å; C122-H126 PolarHBondContact O-CD2 3.33Å; C122-H126 PolarHBondContact O-N 3.46Å; C122-C208 WeakPolarHBondContact CA-SG 3.35Å; C122-C208 HydrophobicContact CB-CB 3.8Å; C122-C208 WeakPolarHBondContact CB-SG 3.41Å; C122-C208 WeakPolarHBondContact SG-CA 3.39Å; C122-C208 WeakPolarHBondContact SG-CB 3.42Å; C122-C208 CovalentContact SG-SG 2.03Å; C122-C208 PolarHBondContact SG-SG 3.47Å |
| 123 | D | 91.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 179.8 | -60.5 | -9.4 | 0 | 0 | 0 | 111.8 | Q119 T120 W121 W125 H126 A127 I185 R189 | Q119-D123 PolarHBondContact NE2-OD1 3.1Å; Q119-D123 VanDerWaalsContact O-CG 3.25Å; Q119-D123 PolarHBondContact O-N 3.4Å; T120-D123 PolarHBondContact O-N 2.83Å; W121-D123 VanDerWaalsContact C-N 3.31Å; W121-D123 PolarHBondContact O-N 3.27Å; D123-W125 VanDerWaalsContact C-N 3.32Å; D123-W125 PolarHBondContact O-N 2.9Å; D123-H126 PolarHBondContact O-N 3.12Å; D123-A127 WeakPolarHBondContact O-CB 3.39Å; D123-A127 PolarHBondContact O-N 2.98Å; D123-I185 HydrophobicContact CB-CG2 3.85Å; D123-R189 VanDerWaalsContact CG-NH1 3.3Å; D123-R189 IonicContact OD1-CZ 2.65Å; D123-R189 VanDerWaalsContact OD1-CZ 3.26Å; D123-R189 IonicContact OD1-NH1 3.61Å; D123-R189 PolarHBondContact OD1-NH1 3.47Å; D123-R189 IonicContact OD1-NH2 3.99Å; D123-R189 PolarHBondContact OD1-NH2 3.45Å; D123-R189 IonicContact OD2-CZ 3.68Å; D123-R189 IonicContact OD2-NH1 2.9Å; D123-R189 PolarHBondContact OD2-NH1 3.02Å; D123-R189 IonicContact OD2-NH2 3.73Å |
| 124 | M | 94.3 | Very high | 93.1 | Very high | 70 Ų | 70 | 29.2 Ų | 29.2 | 35% | 0.345 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.3 | -74.8 | -166.5 | -79.3 | 0 | 0 | 111.3 | T120 W121 A127 F128 | T120-M124 HydrophobicContact CG2-CE 3.96Å; T120-M124 WeakPolarHBondContact O-CG 3.27Å; T120-M124 PolarHBondContact O-N 3.17Å; W121-M124 HydrophobicContact CE3-CB 4.25Å; W121-M124 HydrophobicContact CE3-CE 3.41Å; W121-M124 VanDerWaalsContact CE3-CE 3.41Å; W121-M124 HydrophobicContact CE3-SD 4.32Å; W121-M124 HydrophobicContact CZ3-CB 4.41Å; W121-M124 HydrophobicContact CZ3-CE 3.87Å; W121-M124 HydrophobicContact CZ3-SD 4.27Å; W121-M124 PolarHBondContact O-N 3.08Å; M124-A127 CarbonylContact O-C 3.58Å; M124-A127 WeakPolarHBondContact O-CB 3.23Å; M124-A127 PolarHBondContact O-N 3.39Å; M124-F128 HydrophobicContact CB-CD2 4.48Å; M124-F128 HydrophobicContact CB-CE2 4.48Å; M124-F128 WeakPolarHBondContact O-CD2 3.39Å; M124-F128 PolarHBondContact O-N 3.09Å |
| 125 | W | 96 | Very high | 93.6 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 5% | 0.053 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 178.4 | 174.6 | 60.5 | 0 | 0 | 0 | 111.5 | V87 F90 A91 W115 W121 C122 D123 A127 F128 D129 C208 | V87-W125 PolarHBondContact O-NE1 3.25Å; F90-W125 HydrophobicContact CB-CD2 4.48Å; F90-W125 HydrophobicContact CB-CG 4.3Å; A91-W125 HydrophobicContact CB-CZ2 3.79Å; W115-W125 HydrophobicContact CH2-CB 4.25Å; W115-W125 AromaticContact CH2-CD2 3.87Å; W115-W125 HydrophobicContact CH2-CD2 3.87Å; W115-W125 AromaticContact CH2-CE3 3.71Å; W115-W125 HydrophobicContact CH2-CE3 3.71Å; W115-W125 HydrophobicContact CH2-CG 4.11Å; W115-W125 HydrophobicContact CH2-CZ3 4.34Å; W115-W125 HydrophobicContact CZ2-CB 4.48Å; W115-W125 HydrophobicContact CZ2-CE3 4.46Å; W115-W125 HydrophobicContact CZ3-CD2 4.37Å; W115-W125 HydrophobicContact CZ3-CE3 4Å; W115-W125 HydrophobicContact CZ3-CZ3 4.16Å; W121-W125 VanDerWaalsContact O-CB 3.23Å; W121-W125 WeakPolarHBondContact O-CB 3.37Å; W121-W125 PolarHBondContact O-N 2.96Å; C122-W125 PolarHBondContact O-N 3.37Å; D123-W125 VanDerWaalsContact C-N 3.32Å; D123-W125 PolarHBondContact O-N 2.9Å; W125-A127 VanDerWaalsContact C-N 3.32Å; W125-A127 PolarHBondContact O-N 3.4Å; W125-F128 PolarHBondContact O-N 3Å; W125-D129 PolarHBondContact O-N 3.39Å; W125-C208 VanDerWaalsContact CE3-SG 3.6Å |
| 126 | H | 93.6 | Very high | 94 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 172.7 | -71.2 | -41.2 | 0 | 0 | 0 | 112.7 | C122 D123 F128 D129 V130 I185 C208 F210 | C122-H126 PolarHBondContact O-CD2 3.33Å; C122-H126 PolarHBondContact O-N 3.46Å; D123-H126 PolarHBondContact O-N 3.12Å; H126-F128 VanDerWaalsContact C-N 3.35Å; H126-D129 PolarHBondContact O-N 2.85Å; H126-V130 WeakPolarHBondContact O-CG2 3.41Å; H126-V130 PolarHBondContact O-N 3.02Å; H126-I185 HydrophobicContact CB-CD1 3.84Å; H126-C208 PolarHBondContact NE2-SG 2.94Å; H126-C208 VanDerWaalsContact NE2-SG 3.43Å; H126-F210 HydrophobicContact CB-CD2 4.48Å; H126-F210 AromaticContact CE1-CD2 3.86Å; H126-F210 AromaticContact CG-CD2 3.93Å; H126-F210 AromaticContact ND1-CD2 3.67Å |
| 127 | A | 96 | Very high | 94.3 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.1 | -37.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D123 M124 W125 L131 S181 F182 I185 | D123-A127 WeakPolarHBondContact O-CB 3.39Å; D123-A127 PolarHBondContact O-N 2.98Å; M124-A127 CarbonylContact O-C 3.58Å; M124-A127 WeakPolarHBondContact O-CB 3.23Å; M124-A127 PolarHBondContact O-N 3.39Å; W125-A127 VanDerWaalsContact C-N 3.32Å; W125-A127 PolarHBondContact O-N 3.4Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 3.05Å; A127-S181 VanDerWaalsContact O-CB 3.26Å; A127-S181 WeakPolarHBondContact O-CB 3.29Å; A127-S181 PolarHBondContact O-OG 3.46Å; A127-F182 HydrophobicContact CB-CD1 3.81Å; A127-F182 HydrophobicContact CB-CD2 4.32Å; A127-F182 HydrophobicContact CB-CE1 3.96Å; A127-F182 HydrophobicContact CB-CE2 4.45Å; A127-F182 HydrophobicContact CB-CG 4Å; A127-F182 HydrophobicContact CB-CZ 4.28Å; A127-I185 HydrophobicContact CB-CB 4.48Å; A127-I185 HydrophobicContact CB-CG1 4.08Å |
| 128 | F | 97.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 23.2 Ų | 23.2 | 17% | 0.167 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.6 | -36.7 | 174.5 | -82.5 | -65.2 | 0 | 0 | 0 | 112.6 | L82 I86 V87 M124 W125 H126 L131 T132 F182 | L82-F128 HydrophobicContact CD1-CE1 4.46Å; L82-F128 HydrophobicContact CD2-CD1 4.13Å; L82-F128 HydrophobicContact CD2-CE1 4.32Å; L82-F128 HydrophobicContact CG-CD1 4.41Å; I86-F128 HydrophobicContact CD1-CE1 4.35Å; I86-F128 HydrophobicContact CD1-CZ 4.39Å; I86-F128 HydrophobicContact CG2-CB 4.43Å; I86-F128 HydrophobicContact CG2-CD2 4.06Å; I86-F128 HydrophobicContact CG2-CG 4.2Å; V87-F128 HydrophobicContact CG2-CB 3.84Å; M124-F128 HydrophobicContact CB-CD2 4.48Å; M124-F128 HydrophobicContact CB-CE2 4.48Å; M124-F128 WeakPolarHBondContact O-CD2 3.39Å; M124-F128 PolarHBondContact O-N 3.09Å; W125-F128 PolarHBondContact O-N 3Å; H126-F128 VanDerWaalsContact C-N 3.35Å; F128-L131 HydrophobicContact CD1-CD2 3.86Å; F128-L131 HydrophobicContact CE1-CD2 4.17Å; F128-L131 PolarHBondContact O-N 3.25Å; F128-T132 WeakPolarHBondContact O-CB 3.37Å; F128-T132 VanDerWaalsContact O-CG2 3.29Å; F128-T132 WeakPolarHBondContact O-CG2 3.49Å; F128-T132 PolarHBondContact O-N 3.32Å; F128-T132 PolarHBondContact O-OG1 2.9Å; F128-F182 HydrophobicContact CD1-CZ 4.3Å; F128-F182 HydrophobicContact CE1-CZ 4.04Å; F128-F182 HydrophobicContact CE2-CZ 4.38Å; F128-F182 HydrophobicContact CZ-CZ 4.07Å |
| 129 | D | 96.1 | Very high | 95 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 6% | 0.064 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -52.6 | 174.1 | -170.8 | -1.7 | 0 | 0 | 0 | 111 | V87 W125 H126 L131 T132 S133 Y473 | V87-D129 HydrophobicContact CG1-CB 3.96Å; V87-D129 HydrophobicContact CG2-CB 4.48Å; W125-D129 PolarHBondContact O-N 3.39Å; H126-D129 PolarHBondContact O-N 2.85Å; D129-L131 VanDerWaalsContact C-N 3.31Å; D129-L131 PolarHBondContact O-N 3.49Å; D129-T132 PolarHBondContact O-N 2.94Å; D129-T132 PolarHBondContact O-OG1 3.24Å; D129-T132 VanDerWaalsContact O-OG1 3.1Å; D129-S133 PolarHBondContact O-N 3.48Å; D129-S133 PolarHBondContact O-OG 3.05Å; D129-Y473 VanDerWaalsContact CG-OH 3.25Å; D129-Y473 WeakPolarHBondContact OD1-CE1 3.49Å; D129-Y473 PolarHBondContact OD2-OH 3.32Å |
| 130 | V | 94.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 19.7 Ų | 19.7 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.1 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | H126 S133 T134 | H126-V130 WeakPolarHBondContact O-CG2 3.41Å; H126-V130 PolarHBondContact O-N 3.02Å; V130-S133 PolarHBondContact O-OG 3.32Å; V130-S133 VanDerWaalsContact O-OG 3.06Å; V130-T134 WeakPolarHBondContact O-CB 3.33Å; V130-T134 PolarHBondContact O-N 2.87Å; V130-T134 PolarHBondContact O-OG1 3.45Å |
| 131 | L | 97.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.8 | -52.2 | 177.7 | 173.6 | 70.3 | 0 | 0 | 0 | 111.5 | L82 A127 F128 D129 T134 A135 I178 F182 | L82-L131 HydrophobicContact CD2-CD2 3.74Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 3.05Å; F128-L131 HydrophobicContact CD1-CD2 3.86Å; F128-L131 HydrophobicContact CE1-CD2 4.17Å; F128-L131 PolarHBondContact O-N 3.25Å; D129-L131 VanDerWaalsContact C-N 3.31Å; D129-L131 PolarHBondContact O-N 3.49Å; L131-T134 PolarHBondContact O-N 3.07Å; L131-A135 WeakPolarHBondContact O-CB 3.37Å; L131-A135 PolarHBondContact O-N 3.18Å; L131-I178 HydrophobicContact CD1-CB 4.28Å; L131-I178 HydrophobicContact CD1-CG1 3.5Å; L131-I178 VanDerWaalsContact CD1-CG1 3.5Å; L131-F182 HydrophobicContact CB-CE2 4.43Å; L131-F182 HydrophobicContact CD2-CE2 4.06Å |
| 132 | T | 97.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -71.1 | -39.1 | -169.6 | 49.7 | 0 | 0 | 0 | 0 | 112 | L82 L83 F128 D129 S136 | L82-T132 HydrophobicContact CB-CG2 3.81Å; L82-T132 HydrophobicContact CD2-CG2 3.76Å; L82-T132 HydrophobicContact CG-CG2 3.73Å; L83-T132 HydrophobicContact CB-CG2 4.17Å; L83-T132 WeakPolarHBondContact CD1-OG1 3.15Å; F128-T132 WeakPolarHBondContact O-CB 3.37Å; F128-T132 VanDerWaalsContact O-CG2 3.29Å; F128-T132 WeakPolarHBondContact O-CG2 3.49Å; F128-T132 PolarHBondContact O-N 3.32Å; F128-T132 PolarHBondContact O-OG1 2.9Å; D129-T132 PolarHBondContact O-N 2.94Å; D129-T132 PolarHBondContact O-OG1 3.24Å; D129-T132 VanDerWaalsContact O-OG1 3.1Å; T132-S136 WeakPolarHBondContact O-CB 3.16Å; T132-S136 PolarHBondContact O-N 3.18Å; T132-S136 PolarHBondContact O-OG 3.36Å |
| 133 | S | 95.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 171.9 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | D129 V130 S136 I137 | D129-S133 PolarHBondContact O-N 3.48Å; D129-S133 PolarHBondContact O-OG 3.05Å; V130-S133 PolarHBondContact O-OG 3.32Å; V130-S133 VanDerWaalsContact O-OG 3.06Å; S133-S136 WeakPolarHBondContact O-CB 3.33Å; S133-S136 PolarHBondContact O-N 2.83Å; S133-I137 PolarHBondContact O-N 3.42Å; S133-I137 VanDerWaalsContact O-N 3.08Å |
| 134 | T | 97 | Very high | 96 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | V130 L131 S136 I137 L138 I180 S224 | V130-T134 WeakPolarHBondContact O-CB 3.33Å; V130-T134 PolarHBondContact O-N 2.87Å; V130-T134 PolarHBondContact O-OG1 3.45Å; L131-T134 PolarHBondContact O-N 3.07Å; T134-S136 VanDerWaalsContact C-N 3.26Å; T134-S136 PolarHBondContact O-N 2.76Å; T134-I137 VanDerWaalsContact O-CG2 3.31Å; T134-I137 WeakPolarHBondContact O-CG2 3.13Å; T134-I137 PolarHBondContact O-N 2.72Å; T134-L138 HydrophobicContact CG2-CD1 3.99Å; T134-L138 HydrophobicContact CG2-CG 4.25Å; T134-L138 WeakPolarHBondContact O-CB 3.23Å; T134-L138 WeakPolarHBondContact O-CG 3.47Å; T134-L138 PolarHBondContact O-N 3.14Å; T134-I180 HydrophobicContact CG2-CB 4.44Å; T134-I180 HydrophobicContact CG2-CD1 4Å; T134-I180 HydrophobicContact CG2-CG2 4.34Å; T134-S224 WeakPolarHBondContact OG1-CB 3.17Å |
| 135 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | A79 L131 N139 W174 S177 | A79-A135 HydrophobicContact CB-CB 3.98Å; L131-A135 WeakPolarHBondContact O-CB 3.37Å; L131-A135 PolarHBondContact O-N 3.18Å; A135-N139 WeakPolarHBondContact O-CB 3.39Å; A135-N139 PolarHBondContact O-N 3.01Å; A135-N139 PolarHBondContact O-ND2 3.33Å; A135-W174 HydrophobicContact CB-CE3 4.39Å; A135-W174 HydrophobicContact CB-CZ3 4.36Å; A135-S177 WeakPolarHBondContact CA-OG 3.41Å; A135-S177 PolarHBondContact N-OG 3.09Å; A135-S177 VanDerWaalsContact N-OG 3.14Å |
| 136 | S | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63 | -52.8 | 177.4 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | T132 S133 T134 L138 N139 L140 F436 | T132-S136 WeakPolarHBondContact O-CB 3.16Å; T132-S136 PolarHBondContact O-N 3.18Å; T132-S136 PolarHBondContact O-OG 3.36Å; S133-S136 WeakPolarHBondContact O-CB 3.33Å; S133-S136 PolarHBondContact O-N 2.83Å; T134-S136 VanDerWaalsContact C-N 3.26Å; T134-S136 PolarHBondContact O-N 2.76Å; S136-L138 PolarHBondContact O-N 3.35Å; S136-N139 PolarHBondContact O-N 3.21Å; S136-L140 WeakPolarHBondContact O-CG 3.45Å; S136-L140 PolarHBondContact O-N 2.86Å; S136-F436 VanDerWaalsContact CB-CE2 3.47Å |
| 137 | I | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 179.9 | -166.4 | 165.3 | 0 | 0 | 0 | 112.5 | S133 T134 L140 C141 S224 F225 P228 L229 F436 | S133-I137 PolarHBondContact O-N 3.42Å; S133-I137 VanDerWaalsContact O-N 3.08Å; T134-I137 VanDerWaalsContact O-CG2 3.31Å; T134-I137 WeakPolarHBondContact O-CG2 3.13Å; T134-I137 PolarHBondContact O-N 2.72Å; I137-L140 WeakPolarHBondContact O-CB 3.45Å; I137-L140 PolarHBondContact O-N 3Å; I137-L140 VanDerWaalsContact O-N 3.16Å; I137-C141 PolarHBondContact O-N 3.32Å; I137-C141 PolarHBondContact O-SG 2.94Å; I137-C141 VanDerWaalsContact O-SG 3.4Å; I137-S224 WeakPolarHBondContact CG2-O 3.42Å; I137-F225 HydrophobicContact CD1-CD2 3.74Å; I137-F225 HydrophobicContact CD1-CE2 4.07Å; I137-F225 HydrophobicContact CD1-CG 4.41Å; I137-P228 HydrophobicContact CD1-CB 3.74Å; I137-P228 HydrophobicContact CG1-CB 3.89Å; I137-P228 HydrophobicContact CG2-CB 4.1Å; I137-P228 HydrophobicContact CG2-CG 4.46Å; I137-L229 HydrophobicContact CD1-CB 4.32Å; I137-F436 HydrophobicContact CB-CD1 4.41Å; I137-F436 HydrophobicContact CB-CE1 3.54Å; I137-F436 HydrophobicContact CB-CZ 3.63Å; I137-F436 HydrophobicContact CD1-CD1 4.45Å; I137-F436 HydrophobicContact CD1-CE1 3.79Å; I137-F436 HydrophobicContact CG1-CD1 4.4Å; I137-F436 HydrophobicContact CG1-CE1 3.82Å; I137-F436 HydrophobicContact CG1-CZ 4.42Å |
| 138 | L | 97 | Very high | 95.5 | Very high | 33 Ų | 33 | 13.5 Ų | 13.5 | 17% | 0.173 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.6 | -35.7 | 177.6 | -68.5 | -174.3 | 0 | 0 | 0 | 112.2 | T134 S136 L140 C141 A142 T173 C176 P228 | T134-L138 HydrophobicContact CG2-CD1 3.99Å; T134-L138 HydrophobicContact CG2-CG 4.25Å; T134-L138 WeakPolarHBondContact O-CB 3.23Å; T134-L138 WeakPolarHBondContact O-CG 3.47Å; T134-L138 PolarHBondContact O-N 3.14Å; S136-L138 PolarHBondContact O-N 3.35Å; L138-L140 VanDerWaalsContact C-N 3.32Å; L138-C141 WeakPolarHBondContact O-CB 3.41Å; L138-C141 PolarHBondContact O-N 3.26Å; L138-A142 PolarHBondContact O-N 3.39Å; L138-T173 HydrophobicContact CB-CG2 3.89Å; L138-C176 HydrophobicContact CD1-CB 3.84Å; L138-P228 HydrophobicContact CD2-CB 4.31Å; L138-P228 HydrophobicContact CD2-CG 4.14Å |
| 139 | N | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 170.3 | -84.9 | -80.2 | 0 | 0 | 0 | 111.6 | S75 L76 A135 S136 A142 I143 T173 | S75-N139 WeakPolarHBondContact CB-OD1 3.33Å; S75-N139 VanDerWaalsContact OG-CG 3.28Å; S75-N139 PolarHBondContact OG-ND2 3.5Å; S75-N139 PolarHBondContact OG-OD1 3.13Å; L76-N139 HydrophobicContact CB-CB 4.39Å; A135-N139 WeakPolarHBondContact O-CB 3.39Å; A135-N139 PolarHBondContact O-N 3.01Å; A135-N139 PolarHBondContact O-ND2 3.33Å; S136-N139 PolarHBondContact O-N 3.21Å; N139-A142 WeakPolarHBondContact O-CB 3.36Å; N139-A142 PolarHBondContact O-N 2.89Å; N139-I143 VanDerWaalsContact O-CG1 3.24Å; N139-I143 WeakPolarHBondContact O-CG1 3.36Å; N139-I143 PolarHBondContact O-N 3.49Å; N139-T173 PolarHBondContact ND2-OG1 2.9Å |
| 140 | L | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 173.4 | -66.6 | 173.6 | 0 | 0 | 0 | 112.2 | L76 S136 I137 L138 A142 I143 S144 M232 V432 M433 F436 | L76-L140 HydrophobicContact CD2-CD2 3.73Å; L76-L140 HydrophobicContact CD2-CG 4.43Å; S136-L140 WeakPolarHBondContact O-CG 3.45Å; S136-L140 PolarHBondContact O-N 2.86Å; I137-L140 WeakPolarHBondContact O-CB 3.45Å; I137-L140 PolarHBondContact O-N 3Å; I137-L140 VanDerWaalsContact O-N 3.16Å; L138-L140 VanDerWaalsContact C-N 3.32Å; L140-A142 VanDerWaalsContact C-N 3.34Å; L140-A142 PolarHBondContact O-N 3.3Å; L140-I143 HydrophobicContact CD2-CD1 4.32Å; L140-I143 PolarHBondContact O-N 2.87Å; L140-S144 WeakPolarHBondContact O-CB 3.44Å; L140-S144 PolarHBondContact O-N 2.96Å; L140-M232 HydrophobicContact CB-SD 3.93Å; L140-V432 HydrophobicContact CD2-CG1 3.75Å; L140-M433 HydrophobicContact CB-CE 4.25Å; L140-M433 HydrophobicContact CB-CG 4.02Å; L140-M433 HydrophobicContact CB-SD 4.47Å; L140-M433 HydrophobicContact CD1-CG 4.19Å; L140-M433 HydrophobicContact CD2-CE 4.2Å; L140-M433 HydrophobicContact CD2-CG 3.7Å; L140-M433 HydrophobicContact CG-CG 4.17Å; L140-M433 WeakPolarHBondContact O-CE 3.1Å; L140-F436 HydrophobicContact CD1-CB 3.48Å; L140-F436 VanDerWaalsContact CD1-CB 3.48Å; L140-F436 HydrophobicContact CD1-CD1 3.92Å; L140-F436 HydrophobicContact CD1-CD2 3.74Å; L140-F436 HydrophobicContact CD1-CG 3.4Å; L140-F436 VanDerWaalsContact CD1-CG 3.4Å |
| 141 | C | 95.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 14.6 Ų | 14.6 | 11% | 0.108 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 170 | -72.4 | 0 | 0 | 0 | 0 | 111.1 | I137 L138 I143 S144 V145 P228 | I137-C141 PolarHBondContact O-N 3.32Å; I137-C141 PolarHBondContact O-SG 2.94Å; I137-C141 VanDerWaalsContact O-SG 3.4Å; L138-C141 WeakPolarHBondContact O-CB 3.41Å; L138-C141 PolarHBondContact O-N 3.26Å; C141-I143 PolarHBondContact O-N 3.27Å; C141-S144 WeakPolarHBondContact O-CB 3.48Å; C141-S144 PolarHBondContact O-N 3.33Å; C141-S144 VanDerWaalsContact O-N 3.11Å; C141-S144 PolarHBondContact O-OG 3.09Å; C141-V145 PolarHBondContact O-N 3.45Å; C141-P228 PolarHBondContact SG-O 3.46Å; C141-P228 VanDerWaalsContact SG-O 3.42Å |
| 142 | A | 95.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F72 L138 N139 L140 S144 V145 E146 M169 T173 | F72-A142 HydrophobicContact CD1-CB 3.82Å; F72-A142 HydrophobicContact CE1-CB 3.58Å; F72-A142 HydrophobicContact CZ-CB 4.37Å; L138-A142 PolarHBondContact O-N 3.39Å; N139-A142 WeakPolarHBondContact O-CB 3.36Å; N139-A142 PolarHBondContact O-N 2.89Å; L140-A142 VanDerWaalsContact C-N 3.34Å; L140-A142 PolarHBondContact O-N 3.3Å; A142-S144 VanDerWaalsContact C-N 3.31Å; A142-S144 PolarHBondContact O-N 3.43Å; A142-V145 PolarHBondContact O-N 3.43Å; A142-E146 WeakPolarHBondContact O-CB 3.38Å; A142-E146 PolarHBondContact O-N 3.08Å; A142-M169 HydrophobicContact CB-CE 3.92Å; A142-T173 HydrophobicContact CB-CG2 4.24Å |
| 143 | I | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 172.6 | -70.2 | 166.1 | 0 | 0 | 0 | 110.5 | F72 N139 L140 C141 V145 E146 R147 L429 M433 | F72-I143 HydrophobicContact CB-CD1 3.91Å; F72-I143 HydrophobicContact CB-CG1 3.4Å; F72-I143 VanDerWaalsContact CB-CG1 3.4Å; F72-I143 HydrophobicContact CG-CG1 4.03Å; N139-I143 VanDerWaalsContact O-CG1 3.24Å; N139-I143 WeakPolarHBondContact O-CG1 3.36Å; N139-I143 PolarHBondContact O-N 3.49Å; L140-I143 HydrophobicContact CD2-CD1 4.32Å; L140-I143 PolarHBondContact O-N 2.87Å; C141-I143 PolarHBondContact O-N 3.27Å; I143-V145 PolarHBondContact O-N 3.45Å; I143-E146 PolarHBondContact O-N 2.97Å; I143-R147 HydrophobicContact CG2-CG 4.15Å; I143-R147 WeakPolarHBondContact O-CB 3.32Å; I143-R147 VanDerWaalsContact O-CG 3.23Å; I143-R147 WeakPolarHBondContact O-CG 3.29Å; I143-R147 PolarHBondContact O-N 2.94Å; I143-L429 HydrophobicContact CG2-CB 4.06Å; I143-L429 HydrophobicContact CG2-CD1 3.79Å; I143-L429 HydrophobicContact CG2-CD2 3.94Å; I143-L429 HydrophobicContact CG2-CG 4.12Å; I143-M433 HydrophobicContact CB-CE 3.8Å; I143-M433 HydrophobicContact CG2-CE 3.49Å; I143-M433 VanDerWaalsContact CG2-CE 3.49Å |
| 144 | S | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 179.4 | 81.5 | 0 | 0 | 0 | 0 | 111.7 | L140 C141 A142 R147 Y148 V235 I239 | L140-S144 WeakPolarHBondContact O-CB 3.44Å; L140-S144 PolarHBondContact O-N 2.96Å; C141-S144 WeakPolarHBondContact O-CB 3.48Å; C141-S144 PolarHBondContact O-N 3.33Å; C141-S144 VanDerWaalsContact O-N 3.11Å; C141-S144 PolarHBondContact O-OG 3.09Å; A142-S144 VanDerWaalsContact C-N 3.31Å; A142-S144 PolarHBondContact O-N 3.43Å; S144-R147 PolarHBondContact O-N 3.1Å; S144-Y148 WeakPolarHBondContact O-CB 3.47Å; S144-Y148 PolarHBondContact O-N 2.91Å; S144-V235 WeakPolarHBondContact O-CG1 3.21Å; S144-V235 WeakPolarHBondContact OG-CG1 3.45Å; S144-I239 WeakPolarHBondContact O-CD1 3.32Å |
| 145 | V | 92.9 | Very high | 91.9 | Very high | 55 Ų | 55 | 26.8 Ų | 26.8 | 33% | 0.333 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.8 | -45 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | C141 A142 I143 R147 Y148 I149 V235 | C141-V145 PolarHBondContact O-N 3.45Å; A142-V145 PolarHBondContact O-N 3.43Å; I143-V145 PolarHBondContact O-N 3.45Å; V145-R147 VanDerWaalsContact C-N 3.35Å; V145-R147 PolarHBondContact O-N 3.44Å; V145-Y148 WeakPolarHBondContact O-CB 3.44Å; V145-Y148 PolarHBondContact O-N 3.44Å; V145-I149 HydrophobicContact CG1-CD1 4.03Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.26Å; V145-V235 HydrophobicContact CG2-CG2 4.47Å |
| 146 | E | 93.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.5 | -170 | -79.8 | 135.3 | 0 | 0 | 111.6 | V68 T69 F72 A142 I143 I149 A150 Y157 V161 | V68-E146 HydrophobicContact CG2-CG 4.3Å; T69-E146 PolarHBondContact OG1-OE2 2.98Å; F72-E146 HydrophobicContact CD2-CG 4.44Å; F72-E146 HydrophobicContact CE2-CB 4.16Å; F72-E146 HydrophobicContact CE2-CG 3.93Å; A142-E146 WeakPolarHBondContact O-CB 3.38Å; A142-E146 PolarHBondContact O-N 3.08Å; I143-E146 PolarHBondContact O-N 2.97Å; E146-I149 PolarHBondContact O-N 3.44Å; E146-A150 PolarHBondContact O-N 2.97Å; E146-Y157 VanDerWaalsContact OE1-CE2 3.31Å; E146-Y157 WeakPolarHBondContact OE1-CE2 3.38Å; E146-Y157 PolarHBondContact OE1-OH 3.07Å; E146-V161 HydrophobicContact CG-CG1 4.35Å |
| 147 | R | 92.5 | Very high | 91 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 174.8 | -70.6 | -60.4 | 89.5 | 178.2 | -8.5 | 112.7 | T69 I143 S144 V145 A150 I151 I239 L429 | T69-R147 PolarHBondContact OG1-NH2 2.92Å; I143-R147 HydrophobicContact CG2-CG 4.15Å; I143-R147 WeakPolarHBondContact O-CB 3.32Å; I143-R147 VanDerWaalsContact O-CG 3.23Å; I143-R147 WeakPolarHBondContact O-CG 3.29Å; I143-R147 PolarHBondContact O-N 2.94Å; S144-R147 PolarHBondContact O-N 3.1Å; V145-R147 VanDerWaalsContact C-N 3.35Å; V145-R147 PolarHBondContact O-N 3.44Å; R147-A150 PolarHBondContact O-N 3.36Å; R147-I151 WeakPolarHBondContact O-CB 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.39Å; R147-I151 PolarHBondContact O-N 2.93Å; R147-I239 HydrophobicContact CB-CD1 4Å; R147-L429 HydrophobicContact CG-CD1 3.68Å |
| 148 | Y | 91.4 | Very high | 90.4 | Very high | 73 Ų | 73 | 35 Ų | 35 | 29% | 0.286 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.9 | -45 | 174.9 | 177.8 | -107.6 | 0 | 0 | 0 | 111.6 | S144 V145 I151 S152 K238 I239 K242 | S144-Y148 WeakPolarHBondContact O-CB 3.47Å; S144-Y148 PolarHBondContact O-N 2.91Å; V145-Y148 WeakPolarHBondContact O-CB 3.44Å; V145-Y148 PolarHBondContact O-N 3.44Å; Y148-I151 PolarHBondContact O-N 2.93Å; Y148-S152 WeakPolarHBondContact O-CB 3.48Å; Y148-S152 PolarHBondContact O-N 3.39Å; Y148-S152 PolarHBondContact O-OG 3.04Å; Y148-K238 HydrophobicContact CD2-CB 3.98Å; Y148-K238 HydrophobicContact CE2-CB 3.64Å; Y148-I239 HydrophobicContact CD2-CG1 4Å; Y148-I239 HydrophobicContact CG-CG1 4.4Å; Y148-K242 HydrophobicContact CE2-CG 4.03Å |
| 149 | I | 91.7 | Very high | 90.1 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 177.6 | -61.7 | 164.5 | 0 | 0 | 0 | 110.4 | V145 E146 I151 S152 D153 Y157 R160 V161 | V145-I149 HydrophobicContact CG1-CD1 4.03Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.26Å; E146-I149 PolarHBondContact O-N 3.44Å; I149-I151 VanDerWaalsContact C-N 3.31Å; I149-I151 PolarHBondContact O-N 3.07Å; I149-S152 PolarHBondContact O-N 3.33Å; I149-S152 PolarHBondContact O-OG 3.42Å; I149-D153 PolarHBondContact O-N 3.44Å; I149-D153 VanDerWaalsContact O-N 3.07Å; I149-Y157 HydrophobicContact CG2-CD2 4.3Å; I149-R160 HydrophobicContact CG2-CB 4.23Å; I149-V161 HydrophobicContact CB-CG2 4.17Å; I149-V161 HydrophobicContact CD1-CG2 4.28Å; I149-V161 HydrophobicContact CG2-CG2 3.65Å |
| 150 | A | 89 | Confident | 89.7 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E146 R147 Y157 | E146-A150 PolarHBondContact O-N 2.97Å; R147-A150 PolarHBondContact O-N 3.36Å; A150-Y157 VanDerWaalsContact CA-CD2 3.44Å; A150-Y157 HydrophobicContact CB-CD2 3.74Å; A150-Y157 HydrophobicContact CB-CE2 3.59Å |
| 151 | I | 85.4 | Confident | 89.5 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84 | -35.3 | -177.5 | -67.5 | 168.2 | 0 | 0 | 0 | 111.8 | R147 Y148 I149 I239 K242 A243 A426 | R147-I151 WeakPolarHBondContact O-CB 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.39Å; R147-I151 PolarHBondContact O-N 2.93Å; Y148-I151 PolarHBondContact O-N 2.93Å; I149-I151 VanDerWaalsContact C-N 3.31Å; I149-I151 PolarHBondContact O-N 3.07Å; I151-I239 HydrophobicContact CD1-CG2 3.62Å; I151-K242 HydrophobicContact CG2-CB 4.19Å; I151-A243 HydrophobicContact CG2-CB 4.41Å; I151-A426 HydrophobicContact CD1-CB 4.02Å |
| 152 | S | 85.5 | Confident | 89.3 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -77.4 | -34.4 | -176.3 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | Y148 I149 | Y148-S152 WeakPolarHBondContact O-CB 3.48Å; Y148-S152 PolarHBondContact O-N 3.39Å; Y148-S152 PolarHBondContact O-OG 3.04Å; I149-S152 PolarHBondContact O-N 3.33Å; I149-S152 PolarHBondContact O-OG 3.42Å |
| 153 | D | 83.9 | Confident | 89.1 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | trans | -141.2 | 77.3 | -179.9 | -170 | -3.8 | 0 | 0 | 0 | 111.8 | I149 F155 N156 Y157 R160 | I149-D153 PolarHBondContact O-N 3.44Å; I149-D153 VanDerWaalsContact O-N 3.07Å; D153-F155 PolarHBondContact O-N 2.78Å; D153-F155 PolarHBondContact OD1-N 2.94Å; D153-N156 PolarHBondContact OD1-N 2.81Å; D153-N156 VanDerWaalsContact OD1-N 3.1Å; D153-N156 PolarHBondContact OD1-ND2 3.14Å; D153-N156 VanDerWaalsContact OD1-ND2 3.14Å; D153-N156 VanDerWaalsContact OD2-CB 3.27Å; D153-N156 WeakPolarHBondContact OD2-CB 3.29Å; D153-N156 PolarHBondContact OD2-ND2 3.1Å; D153-Y157 WeakPolarHBondContact O-CB 3.43Å; D153-Y157 PolarHBondContact O-N 2.71Å; D153-R160 IonicContact OD2-CZ 2.63Å; D153-R160 IonicContact OD2-NE 3.19Å; D153-R160 PolarHBondContact OD2-NE 2.87Å; D153-R160 IonicContact OD2-NH2 3.26Å; D153-R160 PolarHBondContact OD2-NH2 3.2Å | ||
| 154 | P | 81.7 | Confident | 89.1 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21 | -177 | 27.2 | -35.6 | 0 | 0 | 0 | 113.5 | F419 | P154-F419 HydrophobicContact CB-CE1 3.73Å; P154-F419 HydrophobicContact CB-CZ 3.93Å; P154-F419 HydrophobicContact CG-CE1 3.99Å; P154-F419 HydrophobicContact CG-CZ 4.1Å |
| 155 | F | 82.7 | Confident | 89.2 | Confident | 157 Ų | 157 | 63.1 Ų | 63.1 | 69% | 0.689 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -44.5 | -178.2 | -64.6 | -70.9 | 0 | 0 | 0 | 111.5 | D153 | D153-F155 PolarHBondContact O-N 2.78Å; D153-F155 PolarHBondContact OD1-N 2.94Å |
| 156 | N | 87.9 | Confident | 89.2 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -0.3 | 177.6 | -52.8 | -63.9 | 0 | 0 | 0 | 113.1 | D153 P158 L159 R160 | D153-N156 PolarHBondContact OD1-N 2.81Å; D153-N156 VanDerWaalsContact OD1-N 3.1Å; D153-N156 PolarHBondContact OD1-ND2 3.14Å; D153-N156 VanDerWaalsContact OD1-ND2 3.14Å; D153-N156 VanDerWaalsContact OD2-CB 3.27Å; D153-N156 WeakPolarHBondContact OD2-CB 3.29Å; D153-N156 PolarHBondContact OD2-ND2 3.1Å; N156-P158 VanDerWaalsContact C-CD 3.5Å; N156-L159 CarbonylContact O-C 3.56Å; N156-L159 WeakPolarHBondContact O-CA 3.47Å; N156-L159 WeakPolarHBondContact O-CB 3.47Å; N156-L159 PolarHBondContact O-N 2.84Å; N156-R160 HydrophobicContact CB-CG 4.33Å; N156-R160 WeakPolarHBondContact O-CG 3.47Å; N156-R160 PolarHBondContact O-N 3.47Å |
| 157 | Y | 88.7 | Confident | 89.4 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -45 | -53 | 173.8 | 175.1 | -99.6 | 0 | 0 | 0 | 113.9 | V68 E146 I149 A150 D153 L159 R160 V161 | V68-Y157 WeakPolarHBondContact CG2-OH 3.35Å; E146-Y157 VanDerWaalsContact OE1-CE2 3.31Å; E146-Y157 WeakPolarHBondContact OE1-CE2 3.38Å; E146-Y157 PolarHBondContact OE1-OH 3.07Å; I149-Y157 HydrophobicContact CG2-CD2 4.3Å; A150-Y157 VanDerWaalsContact CA-CD2 3.44Å; A150-Y157 HydrophobicContact CB-CD2 3.74Å; A150-Y157 HydrophobicContact CB-CE2 3.59Å; D153-Y157 WeakPolarHBondContact O-CB 3.43Å; D153-Y157 PolarHBondContact O-N 2.71Å; Y157-L159 PolarHBondContact O-N 2.84Å; Y157-L159 VanDerWaalsContact O-N 3.15Å; Y157-R160 PolarHBondContact O-N 2.92Å; Y157-V161 HydrophobicContact CD2-CB 4.06Å; Y157-V161 HydrophobicContact CD2-CG2 3.69Å; Y157-V161 HydrophobicContact CE2-CB 3.72Å; Y157-V161 HydrophobicContact CE2-CG1 4.05Å; Y157-V161 HydrophobicContact CE2-CG2 3.55Å; Y157-V161 PolarHBondContact O-N 3.21Å |
| 158 | P | 85.4 | Confident | 89.5 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 52% | 0.519 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -19.3 | 179.8 | 26.5 | -35.7 | 0 | 0 | 0 | 113.9 | N156 | N156-P158 VanDerWaalsContact C-CD 3.5Å |
| 159 | L | 89.3 | Confident | 89.8 | Confident | 127 Ų | 127 | 68.7 Ų | 68.7 | 67% | 0.665 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -89 | -33.9 | 176.7 | -57.7 | 176.2 | 0 | 0 | 0 | 112 | N156 Y157 | N156-L159 CarbonylContact O-C 3.56Å; N156-L159 WeakPolarHBondContact O-CA 3.47Å; N156-L159 WeakPolarHBondContact O-CB 3.47Å; N156-L159 PolarHBondContact O-N 2.84Å; Y157-L159 PolarHBondContact O-N 2.84Å; Y157-L159 VanDerWaalsContact O-N 3.15Å |
| 160 | R | 89.5 | Confident | 90.1 | Very high | 134 Ų | 134 | 67.8 Ų | 67.8 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -82 | -43.9 | -179.1 | -66.1 | -173.7 | -168.2 | -147.9 | 6.3 | 112.1 | I149 D153 N156 Y157 R165 | I149-R160 HydrophobicContact CG2-CB 4.23Å; D153-R160 IonicContact OD2-CZ 2.63Å; D153-R160 IonicContact OD2-NE 3.19Å; D153-R160 PolarHBondContact OD2-NE 2.87Å; D153-R160 IonicContact OD2-NH2 3.26Å; D153-R160 PolarHBondContact OD2-NH2 3.2Å; N156-R160 HydrophobicContact CB-CG 4.33Å; N156-R160 WeakPolarHBondContact O-CG 3.47Å; N156-R160 PolarHBondContact O-N 3.47Å; Y157-R160 PolarHBondContact O-N 2.92Å; R160-R165 PolarHBondContact O-NH1 3.47Å |
| 161 | V | 90.9 | Very high | 90.5 | Very high | 20 Ų | 20 | 72.8 Ų | 72.8 | 12% | 0.121 | 37% | 0.371 | C | S | . | . | trans | -102.4 | 96.4 | -173.8 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | V68 E146 I149 Y157 C166 | V68-V161 HydrophobicContact CB-CG1 4.5Å; V68-V161 HydrophobicContact CG1-CG1 4.47Å; V68-V161 HydrophobicContact CG2-CG1 3.95Å; E146-V161 HydrophobicContact CG-CG1 4.35Å; I149-V161 HydrophobicContact CB-CG2 4.17Å; I149-V161 HydrophobicContact CD1-CG2 4.28Å; I149-V161 HydrophobicContact CG2-CG2 3.65Å; Y157-V161 HydrophobicContact CD2-CB 4.06Å; Y157-V161 HydrophobicContact CD2-CG2 3.69Å; Y157-V161 HydrophobicContact CE2-CB 3.72Å; Y157-V161 HydrophobicContact CE2-CG1 4.05Å; Y157-V161 HydrophobicContact CE2-CG2 3.55Å; Y157-V161 PolarHBondContact O-N 3.21Å; V161-C166 VanDerWaalsContact CG1-SG 3.59Å | ||
| 162 | T | 92.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 75.5 Ų | 75.5 | 31% | 0.307 | 39% | 0.385 | S | S | . | . | trans | -102.7 | 150.4 | 176.5 | 60.9 | 0 | 0 | 0 | 0 | 110.7 | S164 R165 C166 | T162-S164 VanDerWaalsContact C-N 3.29Å; T162-S164 PolarHBondContact O-N 3.44Å; T162-R165 PolarHBondContact O-N 3.15Å; T162-R165 VanDerWaalsContact O-N 3.15Å; T162-R165 WeakPolarHBondContact OG1-CB 3.42Å; T162-R165 WeakPolarHBondContact OG1-CD 3.4Å; T162-R165 VanDerWaalsContact OG1-CG 3.29Å; T162-R165 WeakPolarHBondContact OG1-CG 3.45Å; T162-R165 PolarHBondContact OG1-N 2.93Å; T162-C166 PolarHBondContact O-N 3.17Å; T162-C166 VanDerWaalsContact O-N 3.14Å | ||
| 163 | H | 91.2 | Very high | 91.7 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.8 | -42.7 | 176.8 | -82.8 | -83.5 | 0 | 0 | 0 | 113.5 | R66 R165 C166 I167 | R66-H163 PolarHBondContact O-CE1 3.19Å; R66-H163 VanDerWaalsContact O-CE1 3.31Å; R66-H163 PolarHBondContact O-NE2 2.86Å; H163-R165 PolarHBondContact O-N 2.88Å; H163-C166 PolarHBondContact O-N 3.49Å; H163-C166 VanDerWaalsContact O-N 3.16Å; H163-I167 WeakPolarHBondContact O-CG1 3.42Å; H163-I167 PolarHBondContact O-N 2.88Å |
| 164 | S | 93.2 | Very high | 92.4 | Very high | 95 Ų | 95 | 75.4 Ų | 75.4 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | -179.6 | -45 | 0 | 0 | 0 | 0 | 112.6 | T162 I167 L168 | T162-S164 VanDerWaalsContact C-N 3.29Å; T162-S164 PolarHBondContact O-N 3.44Å; S164-I167 PolarHBondContact O-N 3.4Å; S164-L168 PolarHBondContact O-N 3.33Å |
| 165 | R | 94.3 | Very high | 93.2 | Very high | 145 Ų | 145 | 76.9 Ų | 76.9 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 175.1 | -70.3 | 177 | 177.3 | 159.4 | 0.8 | 112.3 | R160 T162 H163 L168 M169 | R160-R165 PolarHBondContact O-NH1 3.47Å; T162-R165 PolarHBondContact O-N 3.15Å; T162-R165 VanDerWaalsContact O-N 3.15Å; T162-R165 WeakPolarHBondContact OG1-CB 3.42Å; T162-R165 WeakPolarHBondContact OG1-CD 3.4Å; T162-R165 VanDerWaalsContact OG1-CG 3.29Å; T162-R165 WeakPolarHBondContact OG1-CG 3.45Å; T162-R165 PolarHBondContact OG1-N 2.93Å; H163-R165 PolarHBondContact O-N 2.88Å; R165-L168 WeakPolarHBondContact O-CB 3.42Å; R165-L168 PolarHBondContact O-N 3.38Å; R165-M169 WeakPolarHBondContact O-CG 3.16Å; R165-M169 PolarHBondContact O-N 3.06Å |
| 166 | C | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.02 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | F72 V161 T162 H163 L168 M169 I170 | F72-C166 HydrophobicContact CE2-CB 3.97Å; F72-C166 HydrophobicContact CZ-CB 3.91Å; V161-C166 VanDerWaalsContact CG1-SG 3.59Å; T162-C166 PolarHBondContact O-N 3.17Å; T162-C166 VanDerWaalsContact O-N 3.14Å; H163-C166 PolarHBondContact O-N 3.49Å; H163-C166 VanDerWaalsContact O-N 3.16Å; C166-L168 VanDerWaalsContact C-N 3.34Å; C166-M169 PolarHBondContact O-N 2.93Å; C166-I170 WeakPolarHBondContact O-CG1 3.47Å; C166-I170 PolarHBondContact O-N 2.86Å |
| 167 | I | 95.5 | Very high | 94.4 | Very high | 97 Ų | 97 | 68.9 Ų | 68.9 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.3 | -66.9 | 166.6 | 0 | 0 | 0 | 109.9 | H163 S164 M169 I170 M171 | H163-I167 WeakPolarHBondContact O-CG1 3.42Å; H163-I167 PolarHBondContact O-N 2.88Å; S164-I167 PolarHBondContact O-N 3.4Å; I167-M169 VanDerWaalsContact C-N 3.34Å; I167-M169 PolarHBondContact O-N 3.3Å; I167-I170 PolarHBondContact O-N 2.86Å; I167-M171 HydrophobicContact CG2-CG 4.39Å; I167-M171 WeakPolarHBondContact O-CG 3.23Å; I167-M171 PolarHBondContact O-N 3.48Å |
| 168 | L | 96.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 71.1 Ų | 71.1 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 174.3 | 178.9 | 63.9 | 0 | 0 | 0 | 111.9 | S164 R165 C166 I170 M171 L172 | S164-L168 PolarHBondContact O-N 3.33Å; R165-L168 WeakPolarHBondContact O-CB 3.42Å; R165-L168 PolarHBondContact O-N 3.38Å; C166-L168 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 3.21Å; L168-M171 PolarHBondContact O-N 3.33Å; L168-L172 HydrophobicContact CD1-CD1 4.45Å; L168-L172 HydrophobicContact CD1-CG 4.39Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 VanDerWaalsContact O-CG 3.31Å; L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 3.04Å |
| 169 | M | 96.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 72.6 Ų | 72.6 | 30% | 0.3 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 175.7 | -71.1 | 173 | 70.7 | 0 | 0 | 111.8 | F72 A142 R165 C166 I167 L172 T173 | F72-M169 HydrophobicContact CE1-CB 3.97Å; F72-M169 HydrophobicContact CE1-CE 4.47Å; F72-M169 HydrophobicContact CZ-CB 4.13Å; F72-M169 HydrophobicContact CZ-CE 4.18Å; F72-M169 HydrophobicContact CZ-SD 4.08Å; A142-M169 HydrophobicContact CB-CE 3.92Å; R165-M169 WeakPolarHBondContact O-CG 3.16Å; R165-M169 PolarHBondContact O-N 3.06Å; C166-M169 PolarHBondContact O-N 2.93Å; I167-M169 VanDerWaalsContact C-N 3.34Å; I167-M169 PolarHBondContact O-N 3.3Å; M169-L172 PolarHBondContact O-N 3.19Å; M169-T173 WeakPolarHBondContact O-CG2 3.2Å; M169-T173 PolarHBondContact O-N 3.26Å |
| 170 | I | 98.3 | Very high | 95.5 | Very high | 25 Ų | 25 | 68.3 Ų | 68.3 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 176.2 | -71.1 | 167.2 | 0 | 0 | 0 | 110.2 | C71 F72 S75 C166 I167 L168 L172 T173 W174 | C71-I170 HydrophobicContact CB-CD1 4.03Å; F72-I170 HydrophobicContact CD1-CD1 4.12Å; F72-I170 HydrophobicContact CD1-CG1 3.65Å; F72-I170 HydrophobicContact CE1-CD1 4.34Å; F72-I170 HydrophobicContact CE1-CG1 3.7Å; S75-I170 WeakPolarHBondContact OG-CG2 3.32Å; C166-I170 WeakPolarHBondContact O-CG1 3.47Å; C166-I170 PolarHBondContact O-N 2.86Å; I167-I170 PolarHBondContact O-N 2.86Å; L168-I170 PolarHBondContact O-N 3.21Å; I170-L172 VanDerWaalsContact C-N 3.28Å; I170-L172 PolarHBondContact O-N 3.31Å; I170-T173 PolarHBondContact O-N 3.06Å; I170-T173 PolarHBondContact O-OG1 2.9Å; I170-W174 VanDerWaalsContact O-CD1 3.29Å; I170-W174 PolarHBondContact O-N 3.29Å; I170-W174 VanDerWaalsContact O-N 3.14Å |
| 171 | M | 98.1 | Very high | 95.8 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 54% | 0.542 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 178.3 | -66.4 | -56.8 | -65.3 | 0 | 0 | 111.8 | I167 L168 T173 W174 V175 | I167-M171 HydrophobicContact CG2-CG 4.39Å; I167-M171 WeakPolarHBondContact O-CG 3.23Å; I167-M171 PolarHBondContact O-N 3.48Å; L168-M171 PolarHBondContact O-N 3.33Å; M171-T173 PolarHBondContact O-N 3.37Å; M171-W174 PolarHBondContact O-N 3.44Å; M171-V175 VanDerWaalsContact O-CG2 3.31Å; M171-V175 WeakPolarHBondContact O-CG2 3.26Å; M171-V175 PolarHBondContact O-N 3.06Å |
| 172 | L | 98 | Very high | 95.9 | Very high | 94 Ų | 94 | 64.1 Ų | 64.1 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.9 | -70.1 | 172.4 | 0 | 0 | 0 | 112.2 | L168 M169 I170 W174 V175 C176 | L168-L172 HydrophobicContact CD1-CD1 4.45Å; L168-L172 HydrophobicContact CD1-CG 4.39Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 VanDerWaalsContact O-CG 3.31Å; L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 3.04Å; M169-L172 PolarHBondContact O-N 3.19Å; I170-L172 VanDerWaalsContact C-N 3.28Å; I170-L172 PolarHBondContact O-N 3.31Å; L172-W174 VanDerWaalsContact C-N 3.31Å; L172-W174 PolarHBondContact O-N 3.49Å; L172-V175 PolarHBondContact O-N 3.1Å; L172-C176 VanDerWaalsContact O-CB 3.29Å; L172-C176 WeakPolarHBondContact O-CB 3.46Å; L172-C176 PolarHBondContact O-N 3.47Å; L172-C176 PolarHBondContact O-SG 3.43Å |
| 173 | T | 97.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 177 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | L138 N139 A142 M169 I170 M171 S177 | L138-T173 HydrophobicContact CB-CG2 3.89Å; N139-T173 PolarHBondContact ND2-OG1 2.9Å; A142-T173 HydrophobicContact CB-CG2 4.24Å; M169-T173 WeakPolarHBondContact O-CG2 3.2Å; M169-T173 PolarHBondContact O-N 3.26Å; I170-T173 PolarHBondContact O-N 3.06Å; I170-T173 PolarHBondContact O-OG1 2.9Å; M171-T173 PolarHBondContact O-N 3.37Å; T173-S177 WeakPolarHBondContact O-CB 3.49Å; T173-S177 PolarHBondContact O-N 3.43Å; T173-S177 PolarHBondContact O-OG 3.43Å |
| 174 | W | 98.7 | Very high | 95.8 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 21% | 0.208 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.7 | -46.4 | 177.6 | -77.3 | 95.5 | 0 | 0 | 0 | 112.1 | S75 A78 A79 L82 A135 I170 M171 L172 C176 S177 I178 | S75-W174 PolarHBondContact OG-NE1 3.48Å; A78-W174 HydrophobicContact CB-CZ2 4.04Å; A79-W174 HydrophobicContact CB-CH2 4.03Å; A79-W174 HydrophobicContact CB-CZ2 4.16Å; L82-W174 HydrophobicContact CD2-CZ3 4.19Å; A135-W174 HydrophobicContact CB-CE3 4.39Å; A135-W174 HydrophobicContact CB-CZ3 4.36Å; I170-W174 VanDerWaalsContact O-CD1 3.29Å; I170-W174 PolarHBondContact O-N 3.29Å; I170-W174 VanDerWaalsContact O-N 3.14Å; M171-W174 PolarHBondContact O-N 3.44Å; L172-W174 VanDerWaalsContact C-N 3.31Å; L172-W174 PolarHBondContact O-N 3.49Å; W174-C176 PolarHBondContact O-N 3.03Å; W174-S177 PolarHBondContact O-N 3.42Å; W174-I178 WeakPolarHBondContact O-CG1 2.94Å; W174-I178 PolarHBondContact O-N 3.05Å |
| 175 | V | 98.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 44% | 0.436 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 178 | 170.8 | 0 | 0 | 0 | 0 | 111 | M171 L172 S177 I178 L179 | M171-V175 VanDerWaalsContact O-CG2 3.31Å; M171-V175 WeakPolarHBondContact O-CG2 3.26Å; M171-V175 PolarHBondContact O-N 3.06Å; L172-V175 PolarHBondContact O-N 3.1Å; V175-S177 VanDerWaalsContact C-N 3.3Å; V175-S177 PolarHBondContact O-N 3.35Å; V175-I178 PolarHBondContact O-N 3.07Å; V175-L179 HydrophobicContact CG1-CD1 3.91Å; V175-L179 HydrophobicContact CG1-CG 4.44Å; V175-L179 VanDerWaalsContact O-CG 3.31Å; V175-L179 WeakPolarHBondContact O-CG 3.5Å; V175-L179 PolarHBondContact O-N 3.19Å |
| 176 | C | 96.6 | Very high | 95.3 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 175.8 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | L138 L172 W174 L179 I180 | L138-C176 HydrophobicContact CD1-CB 3.84Å; L172-C176 VanDerWaalsContact O-CB 3.29Å; L172-C176 WeakPolarHBondContact O-CB 3.46Å; L172-C176 PolarHBondContact O-N 3.47Å; L172-C176 PolarHBondContact O-SG 3.43Å; W174-C176 PolarHBondContact O-N 3.03Å; C176-L179 PolarHBondContact O-N 3.06Å; C176-I180 WeakPolarHBondContact O-CB 3.45Å; C176-I180 WeakPolarHBondContact O-CD1 3.4Å; C176-I180 WeakPolarHBondContact O-CG1 3.47Å; C176-I180 PolarHBondContact O-N 3.33Å |
| 177 | S | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 179.4 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | A135 T173 W174 V175 L179 I180 S181 | A135-S177 WeakPolarHBondContact CA-OG 3.41Å; A135-S177 PolarHBondContact N-OG 3.09Å; A135-S177 VanDerWaalsContact N-OG 3.14Å; T173-S177 WeakPolarHBondContact O-CB 3.49Å; T173-S177 PolarHBondContact O-N 3.43Å; T173-S177 PolarHBondContact O-OG 3.43Å; W174-S177 PolarHBondContact O-N 3.42Å; V175-S177 VanDerWaalsContact C-N 3.3Å; V175-S177 PolarHBondContact O-N 3.35Å; S177-L179 VanDerWaalsContact C-N 3.35Å; S177-L179 PolarHBondContact O-N 3.44Å; S177-I180 PolarHBondContact O-N 2.85Å; S177-S181 WeakPolarHBondContact O-CB 3.41Å; S177-S181 PolarHBondContact O-N 3.28Å; S177-S181 PolarHBondContact O-OG 3.05Å; S177-S181 VanDerWaalsContact O-OG 3.11Å |
| 178 | I | 97.8 | Very high | 94.3 | Very high | 75 Ų | 75 | 61 Ų | 61 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 176.1 | -68.9 | 167.1 | 0 | 0 | 0 | 110.7 | L131 W174 V175 I180 S181 F182 P183 | L131-I178 HydrophobicContact CD1-CB 4.28Å; L131-I178 HydrophobicContact CD1-CG1 3.5Å; L131-I178 VanDerWaalsContact CD1-CG1 3.5Å; W174-I178 WeakPolarHBondContact O-CG1 2.94Å; W174-I178 PolarHBondContact O-N 3.05Å; V175-I178 PolarHBondContact O-N 3.07Å; I178-I180 VanDerWaalsContact C-N 3.3Å; I178-I180 PolarHBondContact O-N 3.45Å; I178-S181 PolarHBondContact O-N 3.38Å; I178-S181 PolarHBondContact O-OG 3.01Å; I178-F182 HydrophobicContact CB-CD2 4.48Å; I178-F182 HydrophobicContact CG2-CD2 3.95Å; I178-F182 PolarHBondContact O-N 3.39Å; I178-P183 WeakPolarHBondContact O-CD 3.4Å |
| 179 | L | 95.6 | Very high | 93.6 | Very high | 111 Ų | 111 | 59.8 Ų | 59.8 | 58% | 0.581 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.3 | -28.4 | 179.7 | -69.4 | 174.3 | 0 | 0 | 0 | 113 | V175 C176 S177 P183 | V175-L179 HydrophobicContact CG1-CD1 3.91Å; V175-L179 HydrophobicContact CG1-CG 4.44Å; V175-L179 VanDerWaalsContact O-CG 3.31Å; V175-L179 WeakPolarHBondContact O-CG 3.5Å; V175-L179 PolarHBondContact O-N 3.19Å; C176-L179 PolarHBondContact O-N 3.06Å; S177-L179 VanDerWaalsContact C-N 3.35Å; S177-L179 PolarHBondContact O-N 3.44Å; L179-P183 VanDerWaalsContact O-CD 3.31Å; L179-P183 WeakPolarHBondContact O-CD 3.34Å; L179-P183 WeakPolarHBondContact O-CG 3.48Å |
| 180 | I | 93.5 | Very high | 92.9 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -78.4 | -32.1 | 175.1 | -70 | 163.8 | 0 | 0 | 0 | 111.2 | T134 C176 S177 I178 A184 I223 | T134-I180 HydrophobicContact CG2-CB 4.44Å; T134-I180 HydrophobicContact CG2-CD1 4Å; T134-I180 HydrophobicContact CG2-CG2 4.34Å; C176-I180 WeakPolarHBondContact O-CB 3.45Å; C176-I180 WeakPolarHBondContact O-CD1 3.4Å; C176-I180 WeakPolarHBondContact O-CG1 3.47Å; C176-I180 PolarHBondContact O-N 3.33Å; S177-I180 PolarHBondContact O-N 2.85Å; I178-I180 VanDerWaalsContact C-N 3.3Å; I178-I180 PolarHBondContact O-N 3.45Å; I180-A184 WeakPolarHBondContact O-CB 3.28Å; I180-I223 HydrophobicContact CD1-CG2 3.71Å; I180-I223 HydrophobicContact CG1-CG2 3.75Å; I180-I223 HydrophobicContact CG2-CG2 4.12Å |
| 181 | S | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -93.5 | -60.4 | -173.6 | 67.4 | 0 | 0 | 0 | 0 | 114.1 | A127 S177 I178 A184 I185 | A127-S181 VanDerWaalsContact O-CB 3.26Å; A127-S181 WeakPolarHBondContact O-CB 3.29Å; A127-S181 PolarHBondContact O-OG 3.46Å; S177-S181 WeakPolarHBondContact O-CB 3.41Å; S177-S181 PolarHBondContact O-N 3.28Å; S177-S181 PolarHBondContact O-OG 3.05Å; S177-S181 VanDerWaalsContact O-OG 3.11Å; I178-S181 PolarHBondContact O-N 3.38Å; I178-S181 PolarHBondContact O-OG 3.01Å; S181-A184 PolarHBondContact O-N 3.05Å; S181-I185 WeakPolarHBondContact O-CG1 3.35Å; S181-I185 PolarHBondContact O-N 3.2Å |
| 182 | F | 94.7 | Very high | 90.7 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.6 | -51.1 | -171.1 | -72.4 | -100.7 | 0 | 0 | 0 | 113 | A127 F128 L131 I178 A184 I185 A186 | A127-F182 HydrophobicContact CB-CD1 3.81Å; A127-F182 HydrophobicContact CB-CD2 4.32Å; A127-F182 HydrophobicContact CB-CE1 3.96Å; A127-F182 HydrophobicContact CB-CE2 4.45Å; A127-F182 HydrophobicContact CB-CG 4Å; A127-F182 HydrophobicContact CB-CZ 4.28Å; F128-F182 HydrophobicContact CD1-CZ 4.3Å; F128-F182 HydrophobicContact CE1-CZ 4.04Å; F128-F182 HydrophobicContact CE2-CZ 4.38Å; F128-F182 HydrophobicContact CZ-CZ 4.07Å; L131-F182 HydrophobicContact CB-CE2 4.43Å; L131-F182 HydrophobicContact CD2-CE2 4.06Å; I178-F182 HydrophobicContact CB-CD2 4.48Å; I178-F182 HydrophobicContact CG2-CD2 3.95Å; I178-F182 PolarHBondContact O-N 3.39Å; F182-A184 VanDerWaalsContact C-N 3.26Å; F182-A184 PolarHBondContact O-N 3.44Å; F182-I185 PolarHBondContact O-N 2.87Å; F182-A186 PolarHBondContact O-N 3.35Å; F182-A186 VanDerWaalsContact O-N 3.08Å |
| 183 | P | 92.4 | Very high | 89.2 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 177.1 | -24.2 | 35.5 | 0 | 0 | 0 | 113 | I178 L179 A186 W187 | I178-P183 WeakPolarHBondContact O-CD 3.4Å; L179-P183 VanDerWaalsContact O-CD 3.31Å; L179-P183 WeakPolarHBondContact O-CD 3.34Å; L179-P183 WeakPolarHBondContact O-CG 3.48Å; P183-A186 PolarHBondContact O-N 2.86Å; P183-W187 WeakPolarHBondContact O-CB 3.24Å; P183-W187 PolarHBondContact O-N 2.98Å |
| 184 | A | 88.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I180 S181 F182 W188 Y216 | I180-A184 WeakPolarHBondContact O-CB 3.28Å; S181-A184 PolarHBondContact O-N 3.05Å; F182-A184 VanDerWaalsContact C-N 3.26Å; F182-A184 PolarHBondContact O-N 3.44Å; A184-W188 WeakPolarHBondContact O-CB 3.42Å; A184-W188 PolarHBondContact O-N 2.98Å; A184-Y216 HydrophobicContact CB-CE2 3.84Å; A184-Y216 WeakPolarHBondContact O-CE2 3.18Å |
| 185 | I | 88.5 | Confident | 85.4 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 175.2 | -64.4 | -71.3 | 0 | 0 | 0 | 110.9 | D123 H126 A127 S181 F182 W187 W188 R189 Y216 | D123-I185 HydrophobicContact CB-CG2 3.85Å; H126-I185 HydrophobicContact CB-CD1 3.84Å; A127-I185 HydrophobicContact CB-CB 4.48Å; A127-I185 HydrophobicContact CB-CG1 4.08Å; S181-I185 WeakPolarHBondContact O-CG1 3.35Å; S181-I185 PolarHBondContact O-N 3.2Å; F182-I185 PolarHBondContact O-N 2.87Å; I185-W187 PolarHBondContact O-N 3.19Å; I185-W188 PolarHBondContact O-N 3.43Å; I185-R189 PolarHBondContact O-N 2.69Å; I185-Y216 WeakPolarHBondContact CD1-OH 3.34Å |
| 186 | A | 88.6 | Confident | 83.3 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F182 P183 R189 H190 | F182-A186 PolarHBondContact O-N 3.35Å; F182-A186 VanDerWaalsContact O-N 3.08Å; P183-A186 PolarHBondContact O-N 2.86Å; A186-R189 PolarHBondContact O-N 2.87Å; A186-H190 WeakPolarHBondContact O-CB 3.44Å; A186-H190 PolarHBondContact O-N 3.34Å |
| 187 | W | 85.8 | Confident | 80.8 | Confident | 185 Ų | 185 | 78 Ų | 78 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.8 | -47.8 | 175.5 | 174.7 | -90.4 | 0 | 0 | 0 | 111.9 | P183 I185 R189 H190 S191 | P183-W187 WeakPolarHBondContact O-CB 3.24Å; P183-W187 PolarHBondContact O-N 2.98Å; I185-W187 PolarHBondContact O-N 3.19Å; W187-R189 VanDerWaalsContact C-N 3.35Å; W187-R189 PolarHBondContact O-N 2.61Å; W187-H190 PolarHBondContact O-N 2.97Å; W187-S191 WeakPolarHBondContact O-CB 3.49Å; W187-S191 PolarHBondContact O-N 3.42Å; W187-S191 PolarHBondContact O-OG 2.93Å |
| 188 | W | 82.6 | Confident | 78.3 | Confident | 51 Ų | 51 | 83 Ų | 83 | 19% | 0.193 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59 | -46.8 | 177.9 | 169.2 | -114.9 | 0 | 0 | 0 | 111.4 | A184 I185 H190 S191 S192 S211 D213 Y216 | A184-W188 WeakPolarHBondContact O-CB 3.42Å; A184-W188 PolarHBondContact O-N 2.98Å; I185-W188 PolarHBondContact O-N 3.43Å; W188-H190 PolarHBondContact O-N 2.99Å; W188-S191 PolarHBondContact O-N 2.86Å; W188-S192 VanDerWaalsContact CH2-OG 3.25Å; W188-S192 WeakPolarHBondContact CH2-OG 3.43Å; W188-S192 WeakPolarHBondContact CZ2-OG 3.45Å; W188-S192 WeakPolarHBondContact CZ3-OG 3.33Å; W188-S192 WeakPolarHBondContact O-CB 3.26Å; W188-S192 PolarHBondContact O-N 3.44Å; W188-S192 PolarHBondContact O-OG 3.09Å; W188-S211 VanDerWaalsContact CD2-OG 3.23Å; W188-S211 WeakPolarHBondContact CZ2-OG 3.34Å; W188-S211 VanDerWaalsContact NE1-CB 3.26Å; W188-S211 PolarHBondContact NE1-OG 3.14Å; W188-S211 VanDerWaalsContact NE1-OG 3.13Å; W188-D213 HydrophobicContact CD2-CB 4.09Å; W188-D213 HydrophobicContact CE3-CB 3.47Å; W188-D213 VanDerWaalsContact CE3-CB 3.47Å; W188-D213 HydrophobicContact CH2-CB 3.16Å; W188-D213 HydrophobicContact CZ2-CB 3.74Å; W188-D213 HydrophobicContact CZ3-CB 3.04Å; W188-D213 VanDerWaalsContact CZ3-OD2 3.23Å; W188-D213 WeakPolarHBondContact CZ3-OD2 3.41Å; W188-Y216 HydrophobicContact CB-CD2 3.76Å; W188-Y216 HydrophobicContact CB-CE2 4.06Å; W188-Y216 HydrophobicContact CB-CG 4.3Å; W188-Y216 HydrophobicContact CG-CD2 4.29Å; W188-Y216 HydrophobicContact CG-CG 4.36Å |
| 189 | R | 81.9 | Confident | 75.7 | Confident | 77 Ų | 77 | 86.4 Ų | 86.4 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 177.5 | 174.4 | 53.4 | 55 | 61.8 | 10.5 | 111.7 | Q119 D123 I185 A186 W187 S191 S192 S193 | Q119-R189 VanDerWaalsContact CD-NH2 3.26Å; D123-R189 VanDerWaalsContact CG-NH1 3.3Å; D123-R189 IonicContact OD1-CZ 2.65Å; D123-R189 VanDerWaalsContact OD1-CZ 3.26Å; D123-R189 IonicContact OD1-NH1 3.61Å; D123-R189 PolarHBondContact OD1-NH1 3.47Å; D123-R189 IonicContact OD1-NH2 3.99Å; D123-R189 PolarHBondContact OD1-NH2 3.45Å; D123-R189 IonicContact OD2-CZ 3.68Å; D123-R189 IonicContact OD2-NH1 2.9Å; D123-R189 PolarHBondContact OD2-NH1 3.02Å; D123-R189 IonicContact OD2-NH2 3.73Å; I185-R189 PolarHBondContact O-N 2.69Å; A186-R189 PolarHBondContact O-N 2.87Å; W187-R189 VanDerWaalsContact C-N 3.35Å; W187-R189 PolarHBondContact O-N 2.61Å; R189-S191 VanDerWaalsContact C-N 3.29Å; R189-S191 PolarHBondContact O-N 3.33Å; R189-S192 PolarHBondContact O-N 3.1Å; R189-S193 PolarHBondContact O-N 3.44Å |
| 190 | H | 82.6 | Confident | 73.4 | Confident | 139 Ų | 139 | 84.9 Ų | 84.9 | 64% | 0.644 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 179.7 | -173.8 | 67.3 | 0 | 0 | 0 | 111.7 | A186 W187 W188 M194 | A186-H190 WeakPolarHBondContact O-CB 3.44Å; A186-H190 PolarHBondContact O-N 3.34Å; W187-H190 PolarHBondContact O-N 2.97Å; W188-H190 PolarHBondContact O-N 2.99Å; H190-M194 PolarHBondContact O-N 3.42Å |
| 191 | S | 79.1 | Confident | 71.2 | Confident | 32 Ų | 32 | 90.4 Ų | 90.4 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | W187 W188 R189 M194 Y195 | W187-S191 WeakPolarHBondContact O-CB 3.49Å; W187-S191 PolarHBondContact O-N 3.42Å; W187-S191 PolarHBondContact O-OG 2.93Å; W188-S191 PolarHBondContact O-N 2.86Å; R189-S191 VanDerWaalsContact C-N 3.29Å; R189-S191 PolarHBondContact O-N 3.33Å; S191-M194 WeakPolarHBondContact O-CB 3.49Å; S191-M194 PolarHBondContact O-N 3.4Å; S191-Y195 PolarHBondContact O-N 2.93Å |
| 192 | S | 71 | Confident | 68.9 | Low | 17 Ų | 17 | 93 Ų | 93 | 12% | 0.119 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66 | -40 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 112 | W188 R189 M194 Y195 N196 | W188-S192 VanDerWaalsContact CH2-OG 3.25Å; W188-S192 WeakPolarHBondContact CH2-OG 3.43Å; W188-S192 WeakPolarHBondContact CZ2-OG 3.45Å; W188-S192 WeakPolarHBondContact CZ3-OG 3.33Å; W188-S192 WeakPolarHBondContact O-CB 3.26Å; W188-S192 PolarHBondContact O-N 3.44Å; W188-S192 PolarHBondContact O-OG 3.09Å; R189-S192 PolarHBondContact O-N 3.1Å; S192-M194 PolarHBondContact O-N 3.21Å; S192-Y195 PolarHBondContact O-N 3.44Å; S192-N196 WeakPolarHBondContact O-CB 3.5Å; S192-N196 PolarHBondContact O-N 2.88Å |
| 193 | S | 66.6 | Low | 66.8 | Low | 88 Ų | 88 | 94.2 Ų | 94.2 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -23.3 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | R189 | R189-S193 PolarHBondContact O-N 3.44Å |
| 194 | M | 60 | Low | 65 | Low | 163 Ų | 163 | 94.1 Ų | 94.1 | 80% | 0.803 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -78.6 | -30.9 | 178.3 | -163.9 | -175.9 | -165.7 | 0 | 0 | 112.4 | H190 S191 S192 | H190-M194 PolarHBondContact O-N 3.42Å; S191-M194 WeakPolarHBondContact O-CB 3.49Å; S191-M194 PolarHBondContact O-N 3.4Å; S192-M194 PolarHBondContact O-N 3.21Å |
| 195 | Y | 56.1 | Low | 63.8 | Low | 194 Ų | 194 | 96.7 Ų | 96.7 | 76% | 0.761 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -97.8 | -24.9 | -178.3 | -82.9 | -87.8 | 0 | 0 | 0 | 113.9 | S191 S192 V197 | S191-Y195 PolarHBondContact O-N 2.93Å; S192-Y195 PolarHBondContact O-N 3.44Å; Y195-V197 PolarHBondContact O-N 3.04Å |
| 196 | N | 53.6 | Low | 63 | Low | 121 Ų | 121 | 98.3 Ų | 98.3 | 65% | 0.647 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -93 | 100.8 | 179.9 | -76.1 | -12 | 0 | 0 | 0 | 111.5 | S192 | S192-N196 WeakPolarHBondContact O-CB 3.5Å; S192-N196 PolarHBondContact O-N 2.88Å |
| 197 | V | 45.3 | Very low | 62.6 | Low | 117 Ų | 117 | 98.1 Ų | 98.1 | 71% | 0.709 | 51% | 0.513 | S | S | * | . | trans | -39.9 | 141.1 | 163.7 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | Y195 D199 | Y195-V197 PolarHBondContact O-N 3.04Å; V197-D199 PolarHBondContact O-N 3.35Å | ||
| 198 | S | 44.2 | Very low | 62.7 | Low | 105 Ų | 105 | 89.8 Ų | 89.8 | 73% | 0.734 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -51.7 | 11.6 | -165.8 | -44.9 | 0 | 0 | 0 | 0 | 120.4 | ||
| 199 | D | 43.4 | Very low | 62.6 | Low | 145 Ų | 145 | 92.8 Ų | 92.8 | 78% | 0.775 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -99.7 | 9.4 | -168.3 | -84.3 | -23.7 | 0 | 0 | 0 | 116.2 | V197 | V197-D199 PolarHBondContact O-N 3.35Š|
| 200 | I | 47.1 | Very low | 62.6 | Low | 79 Ų | 79 | 90.4 Ų | 90.4 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | trans | -134.6 | 28.4 | -171.9 | -35.6 | -174.4 | 0 | 0 | 0 | 114.1 | G202 V203 T204 | I200-G202 PolarHBondContact O-N 3.29Å; I200-V203 HydrophobicContact CG2-CB 3.37Å; I200-V203 HydrophobicContact CG2-CG2 3.76Å; I200-T204 HydrophobicContact CB-CG2 4.16Å; I200-T204 HydrophobicContact CG2-CG2 3.64Å; I200-T204 PolarHBondContact O-N 3.26Å; I200-T204 PolarHBondContact O-OG1 3Å | ||
| 201 | H | 47.3 | Very low | 62.6 | Low | 152 Ų | 152 | 84 Ų | 84 | 70% | 0.704 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.5 | -30.1 | 164.3 | -81.4 | 75.2 | 0 | 0 | 0 | 110.9 | ||
| 202 | G | 47.3 | Very low | 62.5 | Low | 55 Ų | 55 | 86.4 Ų | 86.4 | 57% | 0.567 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -79 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I200 | I200-G202 PolarHBondContact O-N 3.29Å |
| 203 | V | 50.7 | Low | 63.2 | Low | 92 Ų | 92 | 88 Ų | 88 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -89.1 | -30.2 | -174.2 | -160.4 | 0 | 0 | 0 | 0 | 111.9 | I200 D205 L206 | I200-V203 HydrophobicContact CG2-CB 3.37Å; I200-V203 HydrophobicContact CG2-CG2 3.76Å; V203-D205 VanDerWaalsContact C-N 3.34Å; V203-L206 PolarHBondContact O-N 3.04Å |
| 204 | T | 54.9 | Low | 64.2 | Low | 62 Ų | 62 | 91.3 Ų | 91.3 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.2 | -27.6 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | I200 L206 E207 | I200-T204 HydrophobicContact CB-CG2 4.16Å; I200-T204 HydrophobicContact CG2-CG2 3.64Å; I200-T204 PolarHBondContact O-N 3.26Å; I200-T204 PolarHBondContact O-OG1 3Å; T204-L206 PolarHBondContact O-N 3.45Å; T204-L206 VanDerWaalsContact O-N 3.16Å; T204-E207 PolarHBondContact O-N 3.3Å |
| 205 | D | 62.6 | Low | 65.6 | Low | 81 Ų | 81 | 87.9 Ų | 87.9 | 43% | 0.433 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.8 | 178.9 | -76.7 | -8.2 | 0 | 0 | 0 | 112.7 | V203 | V203-D205 VanDerWaalsContact C-N 3.34Š|
| 206 | L | 73.4 | Confident | 67.2 | Low | 47 Ų | 47 | 79.4 Ų | 79.4 | 25% | 0.246 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -22 | -179.5 | -60.4 | 172.5 | 0 | 0 | 0 | 113.2 | I113 L114 W115 V203 T204 | I113-L206 HydrophobicContact CB-CD2 4.19Å; I113-L206 HydrophobicContact CD1-CD2 4.45Å; I113-L206 HydrophobicContact CG1-CD2 3.68Å; I113-L206 HydrophobicContact CG2-CD2 4.14Å; L114-L206 CarbonylContact C-O 3.58Å; L114-L206 WeakPolarHBondContact CA-O 3.34Å; L114-L206 VanDerWaalsContact CB-O 3.31Å; L114-L206 WeakPolarHBondContact CB-O 3.21Å; L114-L206 PolarHBondContact N-O 2.85Å; W115-L206 PolarHBondContact N-O 3.25Å; V203-L206 PolarHBondContact O-N 3.04Å; T204-L206 PolarHBondContact O-N 3.45Å; T204-L206 VanDerWaalsContact O-N 3.16Å |
| 207 | E | 78.9 | Confident | 68.9 | Low | 58 Ų | 58 | 73.7 Ų | 73.7 | 27% | 0.271 | 41% | 0.412 | S | S | . | . | trans | -133.7 | 134.4 | -172.4 | -59.4 | -170.2 | 162.2 | 0 | 0 | 111.8 | K101 L114 T204 L209 | K101-E207 IonicContact NZ-OE1 2.79Å; K101-E207 PolarHBondContact NZ-OE1 3.15Å; L114-E207 HydrophobicContact CB-CG 4.1Å; L114-E207 HydrophobicContact CD2-CB 4.37Å; L114-E207 HydrophobicContact CD2-CG 4.1Å; T204-E207 PolarHBondContact O-N 3.3Å; E207-L209 HydrophobicContact CB-CD2 4.21Å; E207-L209 HydrophobicContact CB-CG 4.09Å; E207-L209 PolarHBondContact O-N 3.41Å | ||
| 208 | C | 87.2 | Confident | 71.2 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | trans | -92.5 | 86.3 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | W115 C122 W125 H126 | W115-C208 HydrophobicContact CB-CB 3.82Å; W115-C208 HydrophobicContact CD2-CB 3.39Å; W115-C208 HydrophobicContact CE3-CB 3.65Å; W115-C208 HydrophobicContact CG-CB 3.48Å; W115-C208 VanDerWaalsContact CG-CB 3.48Å; W115-C208 HydrophobicContact CZ3-CB 4.32Å; C122-C208 WeakPolarHBondContact CA-SG 3.35Å; C122-C208 HydrophobicContact CB-CB 3.8Å; C122-C208 WeakPolarHBondContact CB-SG 3.41Å; C122-C208 WeakPolarHBondContact SG-CA 3.39Å; C122-C208 WeakPolarHBondContact SG-CB 3.42Å; C122-C208 CovalentContact SG-SG 2.03Å; C122-C208 PolarHBondContact SG-SG 3.47Å; W125-C208 VanDerWaalsContact CE3-SG 3.6Å; H126-C208 PolarHBondContact NE2-SG 2.94Å; H126-C208 VanDerWaalsContact NE2-SG 3.43Å | ||
| 209 | L | 82.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 60% | 0.597 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 126.4 | -177.4 | -59.9 | 178.3 | 0 | 0 | 0 | 111.6 | E207 | E207-L209 HydrophobicContact CB-CD2 4.21Å; E207-L209 HydrophobicContact CB-CG 4.09Å; E207-L209 PolarHBondContact O-N 3.41Å |
| 210 | F | 81 | Confident | 75.7 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 148.8 | 168 | -170 | -114 | 0 | 0 | 0 | 110.6 | H126 S212 Y216 L217 F465 | H126-F210 HydrophobicContact CB-CD2 4.48Å; H126-F210 AromaticContact CE1-CD2 3.86Å; H126-F210 AromaticContact CG-CD2 3.93Å; H126-F210 AromaticContact ND1-CD2 3.67Å; F210-S212 PolarHBondContact O-N 3.16Å; F210-Y216 HydrophobicContact CE2-CE1 4.4Å; F210-Y216 HydrophobicContact CZ-CE1 4.01Å; F210-L217 HydrophobicContact CD1-CD2 3.96Å; F210-L217 HydrophobicContact CE1-CD2 3.35Å; F210-L217 HydrophobicContact CZ-CD2 4.29Å; F210-F465 HydrophobicContact CB-CZ 4.37Å |
| 211 | S | 81.5 | Confident | 77.9 | Confident | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.035 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 126.2 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | W188 D213 Y216 L217 | W188-S211 VanDerWaalsContact CD2-OG 3.23Å; W188-S211 WeakPolarHBondContact CZ2-OG 3.34Å; W188-S211 VanDerWaalsContact NE1-CB 3.26Å; W188-S211 PolarHBondContact NE1-OG 3.14Å; W188-S211 VanDerWaalsContact NE1-OG 3.13Å; S211-D213 PolarHBondContact OG-N 2.89Å; S211-Y216 VanDerWaalsContact OG-CD1 3.28Å; S211-Y216 WeakPolarHBondContact OG-CD1 3.36Å; S211-L217 WeakPolarHBondContact O-CD2 3.24Å |
| 212 | S | 78.3 | Confident | 80.1 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | trans | -97.6 | 7.9 | 171.5 | -68.4 | 0 | 0 | 0 | 0 | 112.9 | F210 R214 | F210-S212 PolarHBondContact O-N 3.16Å; S212-R214 PolarHBondContact O-N 3.24Å | ||
| 213 | D | 85.6 | Confident | 82.4 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | trans | -65.9 | 135.9 | 177.2 | -158.8 | -127.1 | 0 | 0 | 0 | 111.6 | W188 S211 V215 Y216 L217 | W188-D213 HydrophobicContact CD2-CB 4.09Å; W188-D213 HydrophobicContact CE3-CB 3.47Å; W188-D213 VanDerWaalsContact CE3-CB 3.47Å; W188-D213 HydrophobicContact CH2-CB 3.16Å; W188-D213 HydrophobicContact CZ2-CB 3.74Å; W188-D213 HydrophobicContact CZ3-CB 3.04Å; W188-D213 VanDerWaalsContact CZ3-OD2 3.23Å; W188-D213 WeakPolarHBondContact CZ3-OD2 3.41Å; S211-D213 PolarHBondContact OG-N 2.89Å; D213-V215 WeakPolarHBondContact OD1-CA 3.39Å; D213-V215 VanDerWaalsContact OD1-CB 3.27Å; D213-V215 WeakPolarHBondContact OD1-CB 3.38Å; D213-V215 PolarHBondContact OD1-N 3.13Å; D213-V215 VanDerWaalsContact OD1-N 3.1Å; D213-Y216 PolarHBondContact OD1-N 3.28Å; D213-L217 VanDerWaalsContact O-CB 3.23Å; D213-L217 WeakPolarHBondContact O-CB 3.36Å; D213-L217 WeakPolarHBondContact O-CD1 3.39Å; D213-L217 WeakPolarHBondContact O-CG 3.41Å; D213-L217 PolarHBondContact O-N 2.93Å | ||
| 214 | R | 88.4 | Confident | 84.3 | Confident | 158 Ų | 158 | 53 Ų | 53 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.9 | -38.8 | 176.1 | -64.2 | -172.7 | -79.1 | 177.7 | -4.7 | 111.6 | S212 F218 A451 | S212-R214 PolarHBondContact O-N 3.24Å; R214-F218 WeakPolarHBondContact O-CB 3.42Å; R214-F218 PolarHBondContact O-N 3.47Å; R214-F218 VanDerWaalsContact O-N 3.14Å; R214-A451 VanDerWaalsContact CD-O 3.3Å; R214-A451 WeakPolarHBondContact CD-O 3.39Å; R214-A451 WeakPolarHBondContact CG-O 3.18Å; R214-A451 WeakPolarHBondContact O-CB 3.32Å |
| 215 | V | 88.5 | Confident | 86.3 | Confident | 92 Ų | 92 | 50 Ų | 50 | 56% | 0.558 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -71.9 | -46.7 | -176.6 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | D213 F218 I219 | D213-V215 WeakPolarHBondContact OD1-CA 3.39Å; D213-V215 VanDerWaalsContact OD1-CB 3.27Å; D213-V215 WeakPolarHBondContact OD1-CB 3.38Å; D213-V215 PolarHBondContact OD1-N 3.13Å; D213-V215 VanDerWaalsContact OD1-N 3.1Å; V215-F218 PolarHBondContact O-N 3.39Å; V215-I219 HydrophobicContact CG1-CD1 3.55Å; V215-I219 HydrophobicContact CG1-CG1 4.28Å; V215-I219 WeakPolarHBondContact O-CB 3.33Å; V215-I219 WeakPolarHBondContact O-CG1 3.44Å; V215-I219 PolarHBondContact O-N 3.2Å |
| 216 | Y | 88.7 | Confident | 87.9 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -52.6 | 174.8 | 179.1 | -93.7 | 0 | 0 | 0 | 111.7 | A184 I185 W188 F210 S211 D213 F218 I219 S220 | A184-Y216 HydrophobicContact CB-CE2 3.84Å; A184-Y216 WeakPolarHBondContact O-CE2 3.18Å; I185-Y216 WeakPolarHBondContact CD1-OH 3.34Å; W188-Y216 HydrophobicContact CB-CD2 3.76Å; W188-Y216 HydrophobicContact CB-CE2 4.06Å; W188-Y216 HydrophobicContact CB-CG 4.3Å; W188-Y216 HydrophobicContact CG-CD2 4.29Å; W188-Y216 HydrophobicContact CG-CG 4.36Å; F210-Y216 HydrophobicContact CE2-CE1 4.4Å; F210-Y216 HydrophobicContact CZ-CE1 4.01Å; S211-Y216 VanDerWaalsContact OG-CD1 3.28Å; S211-Y216 WeakPolarHBondContact OG-CD1 3.36Å; D213-Y216 PolarHBondContact OD1-N 3.28Å; Y216-F218 VanDerWaalsContact C-N 3.31Å; Y216-F218 PolarHBondContact O-N 2.85Å; Y216-I219 PolarHBondContact O-N 3.48Å; Y216-S220 WeakPolarHBondContact O-CA 3.49Å; Y216-S220 WeakPolarHBondContact O-CB 3.31Å; Y216-S220 PolarHBondContact O-N 3.03Å |
| 217 | L | 90.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -42.8 | -177 | -73.7 | 175.7 | 0 | 0 | 0 | 112 | F210 S211 D213 S221 N447 K450 A451 | F210-L217 HydrophobicContact CD1-CD2 3.96Å; F210-L217 HydrophobicContact CE1-CD2 3.35Å; F210-L217 HydrophobicContact CZ-CD2 4.29Å; S211-L217 WeakPolarHBondContact O-CD2 3.24Å; D213-L217 VanDerWaalsContact O-CB 3.23Å; D213-L217 WeakPolarHBondContact O-CB 3.36Å; D213-L217 WeakPolarHBondContact O-CD1 3.39Å; D213-L217 WeakPolarHBondContact O-CG 3.41Å; D213-L217 PolarHBondContact O-N 2.93Å; L217-S221 WeakPolarHBondContact O-CB 3.4Å; L217-S221 PolarHBondContact O-N 2.87Å; L217-S221 VanDerWaalsContact O-N 3.12Å; L217-S221 PolarHBondContact O-OG 2.94Å; L217-N447 HydrophobicContact CD2-CB 4.29Å; L217-K450 HydrophobicContact CD1-CB 4.39Å; L217-K450 HydrophobicContact CD1-CD 3.95Å; L217-K450 HydrophobicContact CD1-CG 4.02Å; L217-A451 HydrophobicContact CB-CB 4.01Å |
| 218 | F | 92.4 | Very high | 89.7 | Confident | 95 Ų | 95 | 48.3 Ų | 48.3 | 42% | 0.417 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.4 | -52.9 | 179.9 | -175.1 | -98.2 | 0 | 0 | 0 | 112.5 | R214 V215 Y216 S221 C222 T448 A451 I452 | R214-F218 WeakPolarHBondContact O-CB 3.42Å; R214-F218 PolarHBondContact O-N 3.47Å; R214-F218 VanDerWaalsContact O-N 3.14Å; V215-F218 PolarHBondContact O-N 3.39Å; Y216-F218 VanDerWaalsContact C-N 3.31Å; Y216-F218 PolarHBondContact O-N 2.85Å; F218-S221 PolarHBondContact O-N 3.35Å; F218-C222 PolarHBondContact O-N 3.45Å; F218-C222 PolarHBondContact O-SG 3.05Å; F218-T448 HydrophobicContact CD2-CG2 4.15Å; F218-T448 HydrophobicContact CE2-CG2 4.23Å; F218-A451 HydrophobicContact CB-CB 3.93Å; F218-I452 HydrophobicContact CD2-CG1 4.5Å; F218-I452 HydrophobicContact CE2-CD1 4.37Å |
| 219 | I | 91.9 | Very high | 90.2 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 44% | 0.441 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | -177.4 | -66.5 | 179.9 | 0 | 0 | 0 | 110.4 | V215 Y216 S221 C222 I223 | V215-I219 HydrophobicContact CG1-CD1 3.55Å; V215-I219 HydrophobicContact CG1-CG1 4.28Å; V215-I219 WeakPolarHBondContact O-CB 3.33Å; V215-I219 WeakPolarHBondContact O-CG1 3.44Å; V215-I219 PolarHBondContact O-N 3.2Å; Y216-I219 PolarHBondContact O-N 3.48Å; I219-S221 PolarHBondContact O-N 3.43Å; I219-C222 PolarHBondContact O-N 2.9Å; I219-I223 HydrophobicContact CG2-CD1 3.66Å; I219-I223 HydrophobicContact CG2-CG1 4.39Å; I219-I223 WeakPolarHBondContact O-CG1 3.43Å; I219-I223 PolarHBondContact O-N 3.37Å |
| 220 | S | 90.6 | Very high | 90.8 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | Y216 C222 I223 S224 | Y216-S220 WeakPolarHBondContact O-CA 3.49Å; Y216-S220 WeakPolarHBondContact O-CB 3.31Å; Y216-S220 PolarHBondContact O-N 3.03Å; S220-C222 VanDerWaalsContact C-N 3.32Å; S220-C222 PolarHBondContact O-N 3.22Å; S220-I223 PolarHBondContact O-N 3Å; S220-S224 VanDerWaalsContact O-CB 3.24Å; S220-S224 WeakPolarHBondContact O-CB 3.48Å; S220-S224 PolarHBondContact O-N 3.36Å; S220-S224 PolarHBondContact O-OG 3.41Å |
| 221 | S | 93.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | L217 F218 I219 F225 H226 N447 | L217-S221 WeakPolarHBondContact O-CB 3.4Å; L217-S221 PolarHBondContact O-N 2.87Å; L217-S221 VanDerWaalsContact O-N 3.12Å; L217-S221 PolarHBondContact O-OG 2.94Å; F218-S221 PolarHBondContact O-N 3.35Å; I219-S221 PolarHBondContact O-N 3.43Å; S221-F225 PolarHBondContact O-N 3.25Å; S221-H226 PolarHBondContact O-CD2 2.85Å; S221-H226 PolarHBondContact O-N 3.4Å; S221-H226 VanDerWaalsContact O-N 3.1Å; S221-N447 WeakPolarHBondContact OG-CB 3.47Å |
| 222 | C | 94.8 | Very high | 92 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -66.8 | -47.8 | 179.2 | -71 | 0 | 0 | 0 | 0 | 112.3 | F218 I219 S220 H226 I227 | F218-C222 PolarHBondContact O-N 3.45Å; F218-C222 PolarHBondContact O-SG 3.05Å; I219-C222 PolarHBondContact O-N 2.9Å; S220-C222 VanDerWaalsContact C-N 3.32Å; S220-C222 PolarHBondContact O-N 3.22Å; C222-H226 PolarHBondContact O-N 2.83Å; C222-I227 WeakPolarHBondContact O-CB 3.16Å; C222-I227 WeakPolarHBondContact O-CG1 3.35Å; C222-I227 PolarHBondContact O-N 3.11Å |
| 223 | I | 93.7 | Very high | 92.7 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -76.6 | -41.9 | -175 | -64.4 | 175.4 | 0 | 0 | 0 | 111.5 | I180 I219 S220 P228 | I180-I223 HydrophobicContact CD1-CG2 3.71Å; I180-I223 HydrophobicContact CG1-CG2 3.75Å; I180-I223 HydrophobicContact CG2-CG2 4.12Å; I219-I223 HydrophobicContact CG2-CD1 3.66Å; I219-I223 HydrophobicContact CG2-CG1 4.39Å; I219-I223 WeakPolarHBondContact O-CG1 3.43Å; I219-I223 PolarHBondContact O-N 3.37Å; S220-I223 PolarHBondContact O-N 3Å; I223-P228 WeakPolarHBondContact O-CD 3.2Å; I223-P228 WeakPolarHBondContact O-CG 3.37Å |
| 224 | S | 92.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -74.4 | -29 | -178.2 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | T134 I137 S220 F444 | T134-S224 WeakPolarHBondContact OG1-CB 3.17Å; I137-S224 WeakPolarHBondContact CG2-O 3.42Å; S220-S224 VanDerWaalsContact O-CB 3.24Å; S220-S224 WeakPolarHBondContact O-CB 3.48Å; S220-S224 PolarHBondContact O-N 3.36Å; S220-S224 PolarHBondContact O-OG 3.41Å; S224-F444 VanDerWaalsContact OG-CE1 3.26Å; S224-F444 WeakPolarHBondContact OG-CE1 3.42Å |
| 225 | F | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -136.5 | -57.8 | -171 | -175.8 | -96.5 | 0 | 0 | 0 | 115.5 | I137 S221 I227 P228 L229 F436 W440 L441 F444 | I137-F225 HydrophobicContact CD1-CD2 3.74Å; I137-F225 HydrophobicContact CD1-CE2 4.07Å; I137-F225 HydrophobicContact CD1-CG 4.41Å; S221-F225 PolarHBondContact O-N 3.25Å; F225-I227 PolarHBondContact O-N 3.19Å; F225-P228 WeakPolarHBondContact O-CD 3.46Å; F225-L229 HydrophobicContact CD1-CD2 4.39Å; F225-L229 HydrophobicContact CE1-CB 4.48Å; F225-L229 HydrophobicContact CE1-CD2 3.62Å; F225-L229 HydrophobicContact CZ-CD2 3.99Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.31Å; F225-F436 HydrophobicContact CD2-CE1 4.06Å; F225-F436 HydrophobicContact CE2-CD1 4.35Å; F225-F436 AromaticContact CE2-CE1 3.72Å; F225-F436 HydrophobicContact CE2-CE1 3.72Å; F225-W440 HydrophobicContact CD2-CB 4.32Å; F225-W440 HydrophobicContact CE2-CB 3.67Å; F225-W440 HydrophobicContact CZ-CB 4.31Å; F225-L441 HydrophobicContact CE1-CB 4.3Å; F225-L441 HydrophobicContact CE1-CD1 3.7Å; F225-L441 HydrophobicContact CZ-CB 4.02Å; F225-L441 HydrophobicContact CZ-CD1 4.22Å; F225-F444 HydrophobicContact CB-CB 4.25Å; F225-F444 HydrophobicContact CB-CD1 3.59Å; F225-F444 HydrophobicContact CB-CD2 3.49Å; F225-F444 VanDerWaalsContact CB-CD2 3.49Å; F225-F444 HydrophobicContact CB-CE1 3.69Å; F225-F444 HydrophobicContact CB-CE2 3.6Å; F225-F444 HydrophobicContact CB-CG 3.49Å; F225-F444 VanDerWaalsContact CB-CG 3.49Å; F225-F444 HydrophobicContact CB-CZ 3.7Å; F225-F444 HydrophobicContact CD1-CB 3.58Å; F225-F444 AromaticContact CD1-CD2 3.58Å; F225-F444 HydrophobicContact CD1-CD2 3.58Å; F225-F444 HydrophobicContact CD1-CE2 4.41Å; F225-F444 AromaticContact CD1-CG 3.64Å; F225-F444 HydrophobicContact CD1-CG 3.64Å; F225-F444 AromaticContact CD2-CD2 3.27Å; F225-F444 HydrophobicContact CD2-CD2 3.27Å; F225-F444 AromaticContact CD2-CE2 3.36Å; F225-F444 HydrophobicContact CD2-CE2 3.36Å; F225-F444 HydrophobicContact CD2-CG 4.11Å; F225-F444 HydrophobicContact CD2-CZ 4.25Å; F225-F444 HydrophobicContact CE1-CB 4.08Å; F225-F444 HydrophobicContact CE1-CD2 4.06Å; F225-F444 HydrophobicContact CE1-CG 4.36Å; F225-F444 AromaticContact CE2-CD2 3.79Å; F225-F444 HydrophobicContact CE2-CD2 3.79Å; F225-F444 HydrophobicContact CE2-CE2 4.09Å; F225-F444 HydrophobicContact CG-CB 4Å; F225-F444 HydrophobicContact CG-CD1 4.13Å; F225-F444 AromaticContact CG-CD2 3.15Å; F225-F444 HydrophobicContact CG-CD2 3.15Å; F225-F444 HydrophobicContact CG-CE1 4.44Å; F225-F444 AromaticContact CG-CE2 3.55Å; F225-F444 HydrophobicContact CG-CE2 3.55Å; F225-F444 AromaticContact CG-CG 3.48Å; F225-F444 HydrophobicContact CG-CG 3.48Å; F225-F444 VanDerWaalsContact CG-CG 3.48Å; F225-F444 HydrophobicContact CG-CZ 4.19Å; F225-F444 HydrophobicContact CZ-CD2 4.16Å |
| 226 | H | 96 | Very high | 93.3 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 19% | 0.185 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -64 | -43.9 | -169.5 | -62.6 | -53.5 | 0 | 0 | 0 | 113.3 | S221 C222 L229 I230 T448 | S221-H226 PolarHBondContact O-CD2 2.85Å; S221-H226 PolarHBondContact O-N 3.4Å; S221-H226 VanDerWaalsContact O-N 3.1Å; C222-H226 PolarHBondContact O-N 2.83Å; H226-L229 WeakPolarHBondContact O-CB 3.44Å; H226-L229 PolarHBondContact O-N 2.89Å; H226-I230 WeakPolarHBondContact O-CG1 3.31Å; H226-I230 PolarHBondContact O-N 3.03Å; H226-T448 PolarHBondContact NE2-OG1 3.18Å |
| 227 | I | 95.7 | Very high | 93.5 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -53 | 176.8 | -67.7 | 167.9 | 0 | 0 | 0 | 110.3 | C222 F225 L229 I230 V231 | C222-I227 WeakPolarHBondContact O-CB 3.16Å; C222-I227 WeakPolarHBondContact O-CG1 3.35Å; C222-I227 PolarHBondContact O-N 3.11Å; F225-I227 PolarHBondContact O-N 3.19Å; I227-L229 VanDerWaalsContact C-N 3.26Å; I227-L229 PolarHBondContact O-N 3.45Å; I227-I230 PolarHBondContact O-N 2.87Å; I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 3.4Å; I227-V231 VanDerWaalsContact O-N 3.1Å |
| 228 | P | 95.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 7% | 0.071 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54 | -38.8 | 172.6 | -28.7 | 34.4 | 0 | 0 | 0 | 114.1 | I137 L138 C141 I223 F225 V231 M232 | I137-P228 HydrophobicContact CD1-CB 3.74Å; I137-P228 HydrophobicContact CG1-CB 3.89Å; I137-P228 HydrophobicContact CG2-CB 4.1Å; I137-P228 HydrophobicContact CG2-CG 4.46Å; L138-P228 HydrophobicContact CD2-CB 4.31Å; L138-P228 HydrophobicContact CD2-CG 4.14Å; C141-P228 PolarHBondContact SG-O 3.46Å; C141-P228 VanDerWaalsContact SG-O 3.42Å; I223-P228 WeakPolarHBondContact O-CD 3.2Å; I223-P228 WeakPolarHBondContact O-CG 3.37Å; F225-P228 WeakPolarHBondContact O-CD 3.46Å; P228-V231 PolarHBondContact O-N 3.32Å; P228-M232 WeakPolarHBondContact O-CB 2.96Å; P228-M232 PolarHBondContact O-N 3.45Å |
| 229 | L | 96.2 | Very high | 93.5 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 178.3 | 176.1 | 61.5 | 0 | 0 | 0 | 111.6 | I137 F225 H226 I227 V231 M232 I233 V437 L441 | I137-L229 HydrophobicContact CD1-CB 4.32Å; F225-L229 HydrophobicContact CD1-CD2 4.39Å; F225-L229 HydrophobicContact CE1-CB 4.48Å; F225-L229 HydrophobicContact CE1-CD2 3.62Å; F225-L229 HydrophobicContact CZ-CD2 3.99Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.31Å; H226-L229 WeakPolarHBondContact O-CB 3.44Å; H226-L229 PolarHBondContact O-N 2.89Å; I227-L229 VanDerWaalsContact C-N 3.26Å; I227-L229 PolarHBondContact O-N 3.45Å; L229-V231 VanDerWaalsContact C-N 3.31Å; L229-V231 PolarHBondContact O-N 2.99Å; L229-M232 HydrophobicContact CD1-CE 3.72Å; L229-M232 PolarHBondContact O-N 3.35Å; L229-I233 HydrophobicContact CD1-CD1 3.78Å; L229-I233 HydrophobicContact CD1-CG1 4.06Å; L229-I233 HydrophobicContact CG-CD1 3.82Å; L229-I233 HydrophobicContact CG-CG1 4.47Å; L229-I233 WeakPolarHBondContact O-CB 3.29Å; L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 2.9Å; L229-V437 HydrophobicContact CD1-CB 4.38Å; L229-V437 HydrophobicContact CD1-CG1 3.99Å; L229-V437 HydrophobicContact CD1-CG2 3.41Å; L229-V437 VanDerWaalsContact CD1-CG2 3.41Å; L229-L441 HydrophobicContact CD2-CD1 4.21Å |
| 230 | I | 96.1 | Very high | 93.3 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 61% | 0.605 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60 | -44.6 | 177.1 | -68.8 | 165.9 | 0 | 0 | 0 | 110.4 | H226 I227 I233 F234 | H226-I230 WeakPolarHBondContact O-CG1 3.31Å; H226-I230 PolarHBondContact O-N 3.03Å; I227-I230 PolarHBondContact O-N 2.87Å; I230-I233 PolarHBondContact O-N 3.38Å; I230-F234 WeakPolarHBondContact O-CB 3.32Å; I230-F234 PolarHBondContact O-N 3.15Å |
| 231 | V | 94.2 | Very high | 93.3 | Very high | 70 Ų | 70 | 57 Ų | 57 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | I227 P228 L229 F234 V235 | I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 3.4Å; I227-V231 VanDerWaalsContact O-N 3.1Å; P228-V231 PolarHBondContact O-N 3.32Å; L229-V231 VanDerWaalsContact C-N 3.31Å; L229-V231 PolarHBondContact O-N 2.99Å; V231-F234 PolarHBondContact O-N 2.9Å; V231-V235 HydrophobicContact CG1-CG2 4.34Å; V231-V235 WeakPolarHBondContact O-CG2 3.32Å; V231-V235 PolarHBondContact O-N 3.41Å |
| 232 | M | 92.7 | Very high | 93 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 179.4 | -175.1 | 176 | 61.9 | 0 | 0 | 111.6 | L140 P228 L229 F234 V235 Y236 M433 V437 | L140-M232 HydrophobicContact CB-SD 3.93Å; P228-M232 WeakPolarHBondContact O-CB 2.96Å; P228-M232 PolarHBondContact O-N 3.45Å; L229-M232 HydrophobicContact CD1-CE 3.72Å; L229-M232 PolarHBondContact O-N 3.35Å; M232-F234 PolarHBondContact O-N 3.27Å; M232-V235 PolarHBondContact O-N 2.89Å; M232-Y236 HydrophobicContact CG-CD2 4.4Å; M232-Y236 WeakPolarHBondContact O-CB 3.43Å; M232-Y236 PolarHBondContact O-N 3.3Å; M232-M433 HydrophobicContact CE-CB 4.47Å; M232-M433 HydrophobicContact CG-SD 4.04Å; M232-M433 HydrophobicContact SD-CB 3.97Å; M232-M433 HydrophobicContact SD-CG 3.8Å; M232-M433 HydrophobicContact SD-SD 3.77Å; M232-V437 HydrophobicContact CE-CG2 3.4Å |
| 233 | I | 93.5 | Very high | 92.5 | Very high | 100 Ų | 100 | 62 Ų | 62 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 177.5 | -70.4 | 169.8 | 0 | 0 | 0 | 110.3 | L229 I230 V235 Y236 W237 | L229-I233 HydrophobicContact CD1-CD1 3.78Å; L229-I233 HydrophobicContact CD1-CG1 4.06Å; L229-I233 HydrophobicContact CG-CD1 3.82Å; L229-I233 HydrophobicContact CG-CG1 4.47Å; L229-I233 WeakPolarHBondContact O-CB 3.29Å; L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 2.9Å; I230-I233 PolarHBondContact O-N 3.38Å; I233-V235 PolarHBondContact O-N 2.99Å; I233-Y236 PolarHBondContact O-N 3.23Å; I233-W237 WeakPolarHBondContact O-CB 3.49Å; I233-W237 PolarHBondContact O-N 3.29Å |
| 234 | F | 94.4 | Very high | 92 | Very high | 113 Ų | 113 | 60.5 Ų | 60.5 | 50% | 0.496 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 178.9 | 173.9 | -99.8 | 0 | 0 | 0 | 112.1 | I230 V231 M232 Y236 W237 K238 | I230-F234 WeakPolarHBondContact O-CB 3.32Å; I230-F234 PolarHBondContact O-N 3.15Å; V231-F234 PolarHBondContact O-N 2.9Å; M232-F234 PolarHBondContact O-N 3.27Å; F234-Y236 VanDerWaalsContact C-N 3.32Å; F234-Y236 PolarHBondContact O-N 2.92Å; F234-W237 HydrophobicContact CD2-CE3 4.07Å; F234-W237 HydrophobicContact CD2-CZ3 4.26Å; F234-W237 HydrophobicContact CE2-CE3 4.19Å; F234-W237 AromaticContact CE2-CZ3 3.98Å; F234-W237 HydrophobicContact CE2-CZ3 3.98Å; F234-W237 PolarHBondContact O-N 2.94Å; F234-K238 HydrophobicContact CE1-CG 4.29Å; F234-K238 VanDerWaalsContact CZ-CE 3.41Å; F234-K238 HydrophobicContact CZ-CG 4.27Å; F234-K238 WeakPolarHBondContact O-CG 3.18Å; F234-K238 PolarHBondContact O-N 3.41Å |
| 235 | V | 92.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | S144 V145 V231 M232 I233 K238 I239 | S144-V235 WeakPolarHBondContact O-CG1 3.21Å; S144-V235 WeakPolarHBondContact OG-CG1 3.45Å; V145-V235 HydrophobicContact CG2-CG2 4.47Å; V231-V235 HydrophobicContact CG1-CG2 4.34Å; V231-V235 WeakPolarHBondContact O-CG2 3.32Å; V231-V235 PolarHBondContact O-N 3.41Å; M232-V235 PolarHBondContact O-N 2.89Å; I233-V235 PolarHBondContact O-N 2.99Å; V235-K238 WeakPolarHBondContact O-CB 3.39Å; V235-K238 PolarHBondContact O-N 3.48Å; V235-I239 HydrophobicContact CG1-CD1 4.37Å; V235-I239 WeakPolarHBondContact O-CG1 3.29Å; V235-I239 PolarHBondContact O-N 3.42Å |
| 236 | Y | 89 | Confident | 90.7 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -38.2 | 176.9 | -100.6 | -99.6 | 0 | 0 | 0 | 113.8 | M232 I233 F234 K238 I239 Y240 G430 M433 | M232-Y236 HydrophobicContact CG-CD2 4.4Å; M232-Y236 WeakPolarHBondContact O-CB 3.43Å; M232-Y236 PolarHBondContact O-N 3.3Å; I233-Y236 PolarHBondContact O-N 3.23Å; F234-Y236 VanDerWaalsContact C-N 3.32Å; F234-Y236 PolarHBondContact O-N 2.92Å; Y236-K238 VanDerWaalsContact C-N 3.27Å; Y236-K238 PolarHBondContact O-N 2.99Å; Y236-I239 HydrophobicContact CD1-CD1 4.48Å; Y236-I239 HydrophobicContact CD2-CD1 4.07Å; Y236-I239 HydrophobicContact CE1-CD1 4.48Å; Y236-I239 HydrophobicContact CE2-CD1 3.96Å; Y236-I239 HydrophobicContact CG-CD1 4.31Å; Y236-I239 WeakPolarHBondContact O-CB 3.45Å; Y236-I239 PolarHBondContact O-N 2.98Å; Y236-Y240 WeakPolarHBondContact O-CB 3.48Å; Y236-Y240 PolarHBondContact O-N 2.97Å; Y236-G430 PolarHBondContact OH-N 2.89Å; Y236-M433 HydrophobicContact CD2-SD 3.74Å; Y236-M433 HydrophobicContact CE1-SD 4.19Å; Y236-M433 HydrophobicContact CE2-CE 3.54Å; Y236-M433 HydrophobicContact CE2-SD 2.94Å; Y236-M433 WeakPolarHBondContact CE2-SD 3.13Å; Y236-M433 WeakPolarHBondContact OH-CE 3.47Å; Y236-M433 PolarHBondContact OH-SD 3.22Å |
| 237 | W | 92.1 | Very high | 89.7 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 171.6 | 172.9 | 67.3 | 0 | 0 | 0 | 111.5 | I233 F234 Y240 Q241 | I233-W237 WeakPolarHBondContact O-CB 3.49Å; I233-W237 PolarHBondContact O-N 3.29Å; F234-W237 HydrophobicContact CD2-CE3 4.07Å; F234-W237 HydrophobicContact CD2-CZ3 4.26Å; F234-W237 HydrophobicContact CE2-CE3 4.19Å; F234-W237 AromaticContact CE2-CZ3 3.98Å; F234-W237 HydrophobicContact CE2-CZ3 3.98Å; F234-W237 PolarHBondContact O-N 2.94Å; W237-Y240 PolarHBondContact O-N 2.93Å; W237-Q241 WeakPolarHBondContact O-CG 3.35Å; W237-Q241 PolarHBondContact O-N 3.44Å |
| 238 | K | 93.8 | Very high | 88.8 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 30% | 0.296 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 172.7 | -67.3 | -71.5 | -174 | -176.9 | 0 | 112.4 | Y148 F234 V235 Y236 Y240 Q241 K242 | Y148-K238 HydrophobicContact CD2-CB 3.98Å; Y148-K238 HydrophobicContact CE2-CB 3.64Å; F234-K238 HydrophobicContact CE1-CG 4.29Å; F234-K238 VanDerWaalsContact CZ-CE 3.41Å; F234-K238 HydrophobicContact CZ-CG 4.27Å; F234-K238 WeakPolarHBondContact O-CG 3.18Å; F234-K238 PolarHBondContact O-N 3.41Å; V235-K238 WeakPolarHBondContact O-CB 3.39Å; V235-K238 PolarHBondContact O-N 3.48Å; Y236-K238 VanDerWaalsContact C-N 3.27Å; Y236-K238 PolarHBondContact O-N 2.99Å; K238-Y240 VanDerWaalsContact C-N 3.32Å; K238-Y240 PolarHBondContact O-N 3.24Å; K238-Q241 PolarHBondContact O-N 2.94Å; K238-K242 WeakPolarHBondContact O-CG 3.03Å; K238-K242 PolarHBondContact O-N 2.98Å; K238-K242 VanDerWaalsContact O-N 3.09Å |
| 239 | I | 89.7 | Confident | 87.8 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 172.9 | -71.3 | 165.5 | 0 | 0 | 0 | 110.2 | S144 R147 Y148 I151 V235 Y236 Q241 K242 A243 | S144-I239 WeakPolarHBondContact O-CD1 3.32Å; R147-I239 HydrophobicContact CB-CD1 4Å; Y148-I239 HydrophobicContact CD2-CG1 4Å; Y148-I239 HydrophobicContact CG-CG1 4.4Å; I151-I239 HydrophobicContact CD1-CG2 3.62Å; V235-I239 HydrophobicContact CG1-CD1 4.37Å; V235-I239 WeakPolarHBondContact O-CG1 3.29Å; V235-I239 PolarHBondContact O-N 3.42Å; Y236-I239 HydrophobicContact CD1-CD1 4.48Å; Y236-I239 HydrophobicContact CD2-CD1 4.07Å; Y236-I239 HydrophobicContact CE1-CD1 4.48Å; Y236-I239 HydrophobicContact CE2-CD1 3.96Å; Y236-I239 HydrophobicContact CG-CD1 4.31Å; Y236-I239 WeakPolarHBondContact O-CB 3.45Å; Y236-I239 PolarHBondContact O-N 2.98Å; I239-Q241 PolarHBondContact O-N 3.4Å; I239-K242 PolarHBondContact O-N 3.41Å; I239-A243 VanDerWaalsContact O-CB 3.29Å; I239-A243 WeakPolarHBondContact O-CB 3.14Å; I239-A243 PolarHBondContact O-N 3.38Å |
| 240 | Y | 87.9 | Confident | 86.6 | Confident | 146 Ų | 146 | 72 Ų | 72 | 57% | 0.573 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.6 | -47.5 | -178.9 | 177.1 | -106.1 | 0 | 0 | 0 | 111.9 | Y236 W237 K238 K242 A243 N244 | Y236-Y240 WeakPolarHBondContact O-CB 3.48Å; Y236-Y240 PolarHBondContact O-N 2.97Å; W237-Y240 PolarHBondContact O-N 2.93Å; K238-Y240 VanDerWaalsContact C-N 3.32Å; K238-Y240 PolarHBondContact O-N 3.24Å; Y240-K242 PolarHBondContact O-N 3.45Å; Y240-A243 PolarHBondContact O-N 3.38Å; Y240-N244 WeakPolarHBondContact CE1-ND2 3.31Å; Y240-N244 VanDerWaalsContact CE2-ND2 3.27Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.36Å; Y240-N244 WeakPolarHBondContact O-CB 3.38Å; Y240-N244 PolarHBondContact O-N 3.45Å; Y240-N244 PolarHBondContact OH-ND2 3.47Å |
| 241 | Q | 90.2 | Very high | 85.4 | Confident | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 176.1 | -75.1 | 178.2 | 75.2 | 0 | 0 | 112.3 | W237 K238 I239 N244 G245 | W237-Q241 WeakPolarHBondContact O-CG 3.35Å; W237-Q241 PolarHBondContact O-N 3.44Å; K238-Q241 PolarHBondContact O-N 2.94Å; I239-Q241 PolarHBondContact O-N 3.4Å; Q241-N244 PolarHBondContact O-N 3.48Å; Q241-G245 PolarHBondContact O-N 3.45Å |
| 242 | K | 86.2 | Confident | 84.4 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | -179.6 | -66.1 | -64.1 | -176.4 | -179.5 | 0 | 112.1 | Y148 I151 K238 I239 Y240 N244 G245 L246 | Y148-K242 HydrophobicContact CE2-CG 4.03Å; I151-K242 HydrophobicContact CG2-CB 4.19Å; K238-K242 WeakPolarHBondContact O-CG 3.03Å; K238-K242 PolarHBondContact O-N 2.98Å; K238-K242 VanDerWaalsContact O-N 3.09Å; I239-K242 PolarHBondContact O-N 3.41Å; Y240-K242 PolarHBondContact O-N 3.45Å; K242-N244 PolarHBondContact O-N 3.34Å; K242-G245 PolarHBondContact O-N 2.88Å; K242-L246 PolarHBondContact O-N 3.03Å |
| 243 | A | 84.1 | Confident | 83.2 | Confident | 28 Ų | 28 | 72.6 Ų | 72.6 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I151 I239 Y240 L246 I247 | I151-A243 HydrophobicContact CG2-CB 4.41Å; I239-A243 VanDerWaalsContact O-CB 3.29Å; I239-A243 WeakPolarHBondContact O-CB 3.14Å; I239-A243 PolarHBondContact O-N 3.38Å; Y240-A243 PolarHBondContact O-N 3.38Å; A243-L246 PolarHBondContact O-N 3.27Å; A243-I247 WeakPolarHBondContact O-CD1 3.35Å; A243-I247 VanDerWaalsContact O-CG1 3.25Å; A243-I247 WeakPolarHBondContact O-CG1 3.48Å; A243-I247 PolarHBondContact O-N 2.94Å |
| 244 | N | 84.5 | Confident | 81.8 | Confident | 49 Ų | 49 | 72.8 Ų | 72.8 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 176.5 | -78.8 | -3.9 | 0 | 0 | 0 | 112.5 | Y240 Q241 K242 L246 I247 K248 | Y240-N244 WeakPolarHBondContact CE1-ND2 3.31Å; Y240-N244 VanDerWaalsContact CE2-ND2 3.27Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.36Å; Y240-N244 WeakPolarHBondContact O-CB 3.38Å; Y240-N244 PolarHBondContact O-N 3.45Å; Y240-N244 PolarHBondContact OH-ND2 3.47Å; Q241-N244 PolarHBondContact O-N 3.48Å; K242-N244 PolarHBondContact O-N 3.34Å; N244-L246 VanDerWaalsContact C-N 3.3Å; N244-L246 PolarHBondContact O-N 3.25Å; N244-I247 PolarHBondContact O-N 3.3Å; N244-K248 WeakPolarHBondContact O-CG 3.18Å; N244-K248 PolarHBondContact O-N 3.09Å |
| 245 | G | 81.6 | Confident | 80.4 | Confident | 34 Ų | 34 | 74 Ų | 74 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q241 K242 K248 T249 | Q241-G245 PolarHBondContact O-N 3.45Å; K242-G245 PolarHBondContact O-N 2.88Å; G245-K248 PolarHBondContact O-N 3.25Å; G245-T249 WeakPolarHBondContact O-CB 3.42Å; G245-T249 PolarHBondContact O-N 3.36Å; G245-T249 PolarHBondContact O-OG1 3.33Å |
| 246 | L | 78.2 | Confident | 78.8 | Confident | 72 Ų | 72 | 77.7 Ų | 77.7 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 174.9 | -178.1 | 60.4 | 0 | 0 | 0 | 111.9 | K242 A243 N244 T249 L250 | K242-L246 PolarHBondContact O-N 3.03Å; A243-L246 PolarHBondContact O-N 3.27Å; N244-L246 VanDerWaalsContact C-N 3.3Å; N244-L246 PolarHBondContact O-N 3.25Å; L246-T249 PolarHBondContact O-N 2.96Å; L246-L250 HydrophobicContact CD1-CD1 4.28Å; L246-L250 HydrophobicContact CD1-CG 4.3Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.47Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 VanDerWaalsContact O-CG 3.25Å; L246-L250 WeakPolarHBondContact O-CG 3.29Å; L246-L250 PolarHBondContact O-N 3.04Å |
| 247 | I | 75.4 | Confident | 77.7 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 19% | 0.19 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.3 | -69.1 | 161.5 | 0 | 0 | 0 | 110.9 | A243 N244 T249 L250 N251 | A243-I247 WeakPolarHBondContact O-CD1 3.35Å; A243-I247 VanDerWaalsContact O-CG1 3.25Å; A243-I247 WeakPolarHBondContact O-CG1 3.48Å; A243-I247 PolarHBondContact O-N 2.94Å; N244-I247 PolarHBondContact O-N 3.3Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 2.61Å; I247-L250 PolarHBondContact O-N 3.38Å; I247-N251 VanDerWaalsContact O-CB 3.31Å; I247-N251 WeakPolarHBondContact O-CB 3.45Å; I247-N251 PolarHBondContact O-N 3.4Å |
| 248 | K | 77.3 | Confident | 75.9 | Confident | 152 Ų | 152 | 80.2 Ų | 80.2 | 66% | 0.661 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.5 | -46.9 | 175.3 | -73.6 | 179.7 | -179.9 | -172.7 | 0 | 110.7 | N244 G245 L250 N251 T252 | N244-K248 WeakPolarHBondContact O-CG 3.18Å; N244-K248 PolarHBondContact O-N 3.09Å; G245-K248 PolarHBondContact O-N 3.25Å; K248-L250 PolarHBondContact O-N 3.42Å; K248-N251 PolarHBondContact O-N 2.94Å; K248-T252 WeakPolarHBondContact O-CG2 3.38Å; K248-T252 PolarHBondContact O-N 3.38Å; K248-T252 PolarHBondContact O-OG1 2.97Å; K248-T252 VanDerWaalsContact O-OG1 3.05Å |
| 249 | T | 73.3 | Confident | 73.8 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 178.2 | -54.5 | 0 | 0 | 0 | 0 | 112.8 | G245 L246 I247 T252 G253 K254 R255 V271 | G245-T249 WeakPolarHBondContact O-CB 3.42Å; G245-T249 PolarHBondContact O-N 3.36Å; G245-T249 PolarHBondContact O-OG1 3.33Å; L246-T249 PolarHBondContact O-N 2.96Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 2.61Å; T249-T252 WeakPolarHBondContact CA-OG1 3.15Å; T249-T252 PolarHBondContact O-OG1 2.88Å; T249-T252 VanDerWaalsContact O-OG1 3.11Å; T249-G253 WeakPolarHBondContact O-CA 3.37Å; T249-G253 PolarHBondContact O-N 3.18Å; T249-K254 PolarHBondContact O-N 3.34Å; T249-R255 HydrophobicContact CG2-CB 3.71Å; T249-R255 HydrophobicContact CG2-CG 4.2Å; T249-V271 HydrophobicContact CG2-CG2 4.19Å |
| 250 | L | 71.1 | Confident | 72.3 | Confident | 79 Ų | 79 | 94.3 Ų | 94.3 | 41% | 0.414 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 176.8 | -71.1 | 170.2 | 0 | 0 | 0 | 111.6 | L246 I247 K248 G253 V271 R273 | L246-L250 HydrophobicContact CD1-CD1 4.28Å; L246-L250 HydrophobicContact CD1-CG 4.3Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.47Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 VanDerWaalsContact O-CG 3.25Å; L246-L250 WeakPolarHBondContact O-CG 3.29Å; L246-L250 PolarHBondContact O-N 3.04Å; I247-L250 PolarHBondContact O-N 3.38Å; K248-L250 PolarHBondContact O-N 3.42Å; L250-G253 PolarHBondContact O-N 3.08Å; L250-V271 HydrophobicContact CD2-CG1 4.22Å; L250-R273 PolarHBondContact O-NE 3.4Å; L250-R273 VanDerWaalsContact O-NE 3.13Å |
| 251 | N | 71.6 | Confident | 70.9 | Confident | 118 Ų | 118 | 92.2 Ų | 92.2 | 63% | 0.631 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.9 | -34.3 | 178.2 | -72.2 | -4.5 | 0 | 0 | 0 | 112.5 | I247 K248 R273 | I247-N251 VanDerWaalsContact O-CB 3.31Å; I247-N251 WeakPolarHBondContact O-CB 3.45Å; I247-N251 PolarHBondContact O-N 3.4Å; K248-N251 PolarHBondContact O-N 2.94Å; N251-R273 PolarHBondContact O-NH2 2.74Å |
| 252 | T | 73.7 | Confident | 69.2 | Low | 80 Ų | 80 | 93.2 Ų | 93.2 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -78.8 | -24.2 | 172.2 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | K248 T249 K254 R273 | K248-T252 WeakPolarHBondContact O-CG2 3.38Å; K248-T252 PolarHBondContact O-N 3.38Å; K248-T252 PolarHBondContact O-OG1 2.97Å; K248-T252 VanDerWaalsContact O-OG1 3.05Å; T249-T252 WeakPolarHBondContact CA-OG1 3.15Å; T249-T252 PolarHBondContact O-OG1 2.88Å; T249-T252 VanDerWaalsContact O-OG1 3.11Å; T252-K254 PolarHBondContact O-N 3.49Å; T252-K254 PolarHBondContact OG1-N 2.8Å; T252-K254 PolarHBondContact OG1-O 2.94Å; T252-R273 PolarHBondContact O-NH2 2.92Å |
| 253 | G | 66.7 | Low | 67.7 | Low | 10 Ų | 10 | 92.3 Ų | 92.3 | 10% | 0.103 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 16 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T249 L250 R270 V271 | T249-G253 WeakPolarHBondContact O-CA 3.37Å; T249-G253 PolarHBondContact O-N 3.18Å; L250-G253 PolarHBondContact O-N 3.08Å; G253-R270 CarbonylContact O-C 3.53Å; G253-R270 WeakPolarHBondContact O-CA 3.44Å; G253-V271 PolarHBondContact O-N 2.84Å |
| 254 | K | 63.5 | Low | 66.4 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 45% | 0.452 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 126.8 | -171.6 | -71 | 178.5 | -178.2 | 178.9 | 0 | 108.3 | T249 T252 I268 L269 | T249-K254 PolarHBondContact O-N 3.34Å; T252-K254 PolarHBondContact O-N 3.49Å; T252-K254 PolarHBondContact OG1-N 2.8Å; T252-K254 PolarHBondContact OG1-O 2.94Å; K254-I268 HydrophobicContact CB-CG2 3.69Å; K254-I268 HydrophobicContact CD-CG2 3.87Å; K254-I268 HydrophobicContact CG-CG2 3.66Å; K254-L269 CarbonylContact C-O 3.58Å; K254-L269 WeakPolarHBondContact CA-O 3.19Å |
| 255 | R | 65.9 | Low | 65 | Low | 137 Ų | 137 | 97.2 Ų | 97.2 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113 | 169.2 | -173.2 | 178.8 | 178.3 | -179 | -1.3 | 108.3 | T249 I257 L269 V271 | T249-R255 HydrophobicContact CG2-CB 3.71Å; T249-R255 HydrophobicContact CG2-CG 4.2Å; R255-I257 HydrophobicContact CG-CG1 4.35Å; R255-L269 HydrophobicContact CB-CB 4.29Å; R255-L269 PolarHBondContact N-O 3.14Å; R255-L269 WeakPolarHBondContact O-CB 3.33Å; R255-L269 PolarHBondContact O-N 3.29Å; R255-V271 HydrophobicContact CB-CG2 4.37Å |
| 256 | L | 59.7 | Low | 63.8 | Low | 96 Ų | 96 | 97.8 Ų | 97.8 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.8 | 171.6 | -81.1 | 125.9 | 0 | 0 | 0 | 109.7 | A266 M267 I268 | L256-A266 HydrophobicContact CD2-CB 3.65Å; L256-M267 CarbonylContact C-O 3.58Å; L256-M267 WeakPolarHBondContact CA-O 3.42Å; L256-I268 HydrophobicContact CD2-CG1 3.96Å; L256-I268 HydrophobicContact CG-CG1 4.14Å |
| 257 | I | 65.5 | Low | 62.7 | Low | 75 Ų | 75 | 99.9 Ų | 99.9 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.9 | 174.9 | -58.2 | 177.2 | 0 | 0 | 0 | 106.9 | R255 M267 L269 | R255-I257 HydrophobicContact CG-CG1 4.35Å; I257-M267 PolarHBondContact N-O 3.47Å; I257-M267 PolarHBondContact O-N 3Å; I257-L269 HydrophobicContact CD1-CB 4.21Å; I257-L269 HydrophobicContact CD1-CD2 4.11Å |
| 258 | Y | 54.2 | Low | 62.2 | Low | 161 Ų | 161 | 102.1 Ų | 102.1 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.8 | 174.9 | -64 | -90.5 | 0 | 0 | 0 | 109.1 | A266 | Y258-A266 HydrophobicContact CD1-CB 3.75Å; Y258-A266 HydrophobicContact CE1-CB 3.42Å; Y258-A266 VanDerWaalsContact CE1-CB 3.42Å |
| 259 | R | 48.9 | Very low | 61.3 | Low | 163 Ų | 163 | 98.9 Ų | 98.9 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | trans | -95.4 | 111.6 | 174.5 | -166 | 173.5 | -172.6 | 157.2 | 0.4 | 108.5 | S261 L262 | R259-S261 PolarHBondContact O-N 2.88Å; R259-S261 VanDerWaalsContact O-N 3.07Å; R259-L262 PolarHBondContact O-N 3.2Å | ||
| 260 | K | 57.8 | Low | 61.1 | Low | 214 Ų | 214 | 106.2 Ų | 106.2 | 93% | 0.93 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -28 | 178 | -75.9 | -172 | 175.4 | -174.3 | 0 | 113.5 | L262 | K260-L262 VanDerWaalsContact C-N 3.32Å; K260-L262 PolarHBondContact O-N 2.77Å |
| 261 | S | 60.3 | Low | 60.8 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -13 | -174.6 | -170.4 | 0 | 0 | 0 | 0 | 115 | R259 | R259-S261 PolarHBondContact O-N 2.88Å; R259-S261 VanDerWaalsContact O-N 3.07Å |
| 262 | L | 54.3 | Low | 60.3 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 67.9 | -170.9 | -141.6 | 83 | 0 | 0 | 0 | 110.2 | R259 K260 G264 E265 | R259-L262 PolarHBondContact O-N 3.2Å; K260-L262 VanDerWaalsContact C-N 3.32Å; K260-L262 PolarHBondContact O-N 2.77Å; L262-G264 PolarHBondContact O-N 2.62Å; L262-E265 PolarHBondContact O-N 3.43Å |
| 263 | G | 54.9 | Low | 59.5 | Low | 88 Ų | 88 | 109.1 Ų | 109.1 | 91% | 0.907 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 14.3 | 170 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 264 | G | 56.2 | Low | 58.6 | Low | 45 Ų | 45 | 111.2 Ų | 111.2 | 46% | 0.464 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 78.9 | 12.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L262 A266 | L262-G264 PolarHBondContact O-N 2.62Å; G264-A266 PolarHBondContact O-N 3.3Å |
| 265 | E | 55.1 | Low | 57.5 | Low | 135 Ų | 135 | 108.8 Ų | 108.8 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | trans | -60 | 129.3 | 176.9 | -72.2 | -167.3 | 164.1 | 0 | 0 | 111.5 | L262 | L262-E265 PolarHBondContact O-N 3.43Š| ||
| 266 | A | 56.8 | Low | 56.3 | Low | 46 Ų | 46 | 109.9 Ų | 109.9 | 38% | 0.38 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 113 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L256 Y258 G264 | L256-A266 HydrophobicContact CD2-CB 3.65Å; Y258-A266 HydrophobicContact CD1-CB 3.75Å; Y258-A266 HydrophobicContact CE1-CB 3.42Å; Y258-A266 VanDerWaalsContact CE1-CB 3.42Å; G264-A266 PolarHBondContact O-N 3.3Å |
| 267 | M | 55.4 | Low | 55.2 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85 | 129.6 | 171.7 | -175 | -177.3 | -74.8 | 0 | 0 | 109.9 | L256 I257 | L256-M267 CarbonylContact C-O 3.58Å; L256-M267 WeakPolarHBondContact CA-O 3.42Å; I257-M267 PolarHBondContact N-O 3.47Å; I257-M267 PolarHBondContact O-N 3Å |
| 268 | I | 63.9 | Low | 53.9 | Low | 83 Ų | 83 | 116.2 Ų | 116.2 | 43% | 0.426 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 102.1 | 174.6 | -55.9 | 178.3 | 0 | 0 | 0 | 109.1 | K254 L256 R270 | K254-I268 HydrophobicContact CB-CG2 3.69Å; K254-I268 HydrophobicContact CD-CG2 3.87Å; K254-I268 HydrophobicContact CG-CG2 3.66Å; L256-I268 HydrophobicContact CD2-CG1 3.96Å; L256-I268 HydrophobicContact CG-CG1 4.14Å; I268-R270 PolarHBondContact O-N 2.9Å |
| 269 | L | 58.6 | Low | 53 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 45% | 0.445 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.7 | 110.9 | 168.7 | -179.2 | 66.2 | 0 | 0 | 0 | 109.1 | K254 R255 I257 V271 | K254-L269 CarbonylContact C-O 3.58Å; K254-L269 WeakPolarHBondContact CA-O 3.19Å; R255-L269 HydrophobicContact CB-CB 4.29Å; R255-L269 PolarHBondContact N-O 3.14Å; R255-L269 WeakPolarHBondContact O-CB 3.33Å; R255-L269 PolarHBondContact O-N 3.29Å; I257-L269 HydrophobicContact CD1-CB 4.21Å; I257-L269 HydrophobicContact CD1-CD2 4.11Å; L269-V271 PolarHBondContact O-N 3.34Å |
| 270 | R | 68.4 | Low | 52.1 | Low | 188 Ų | 188 | 114.3 Ų | 114.3 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 119.6 | 172.9 | -68.4 | -173.6 | -176.3 | -158.1 | 2.8 | 109.4 | G253 I268 | G253-R270 CarbonylContact O-C 3.53Å; G253-R270 WeakPolarHBondContact O-CA 3.44Å; I268-R270 PolarHBondContact O-N 2.9Å |
| 271 | V | 66 | Low | 50.9 | Low | 46 Ų | 46 | 109.2 Ų | 109.2 | 28% | 0.279 | 62% | 0.62 | S | S | . | * | trans | -92.9 | 109.7 | 176.6 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | T249 L250 G253 R255 L269 R273 | T249-V271 HydrophobicContact CG2-CG2 4.19Å; L250-V271 HydrophobicContact CD2-CG1 4.22Å; G253-V271 PolarHBondContact O-N 2.84Å; R255-V271 HydrophobicContact CB-CG2 4.37Å; L269-V271 PolarHBondContact O-N 3.34Å; V271-R273 PolarHBondContact O-N 3.16Å | ||
| 272 | H | 61.4 | Low | 49.7 | Very low | 138 Ų | 138 | 110.5 Ų | 110.5 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | trans | -62 | 110.2 | 176.5 | -70.6 | -91.7 | 0 | 0 | 0 | 109.9 | G274 | H272-G274 PolarHBondContact O-N 2.86Š| ||
| 273 | R | 56.9 | Low | 48.5 | Very low | 155 Ų | 155 | 109.9 Ų | 109.9 | 59% | 0.585 | 64% | 0.639 | S | S | * | * | trans | -66 | 124.4 | 160.7 | -53 | -179.2 | -171.8 | 152.3 | 13.8 | 104.3 | L250 N251 T252 V271 G275 | L250-R273 PolarHBondContact O-NE 3.4Å; L250-R273 VanDerWaalsContact O-NE 3.13Å; N251-R273 PolarHBondContact O-NH2 2.74Å; T252-R273 PolarHBondContact O-NH2 2.92Å; V271-R273 PolarHBondContact O-N 3.16Å; R273-G275 PolarHBondContact O-N 2.83Å | ||
| 274 | G | 47.9 | Very low | 47.1 | Very low | 53 Ų | 53 | 113.1 Ų | 113.1 | 55% | 0.546 | 64% | 0.635 | S | S | . | * | trans | -65.3 | 57.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H272 | H272-G274 PolarHBondContact O-N 2.86Š| ||
| 275 | G | 39.9 | Very low | 45.8 | Very low | 53 Ų | 53 | 116.4 Ų | 116.4 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | trans | -82.7 | 130.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | R273 T277 | R273-G275 PolarHBondContact O-N 2.83Å; G275-T277 PolarHBondContact O-N 2.86Å | ||
| 276 | I | 40.2 | Very low | 44.7 | Very low | 160 Ų | 160 | 119.3 Ų | 119.3 | 82% | 0.821 | 66% | 0.662 | S | S | * | * | trans | -40.8 | 127.3 | 167.7 | -64 | 157.9 | 0 | 0 | 0 | 108 | K278 | I276-K278 PolarHBondContact O-N 3.47Š| ||
| 277 | T | 37.4 | Very low | 43.3 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | trans | -46.7 | 102.4 | 173.5 | 45.8 | 0 | 0 | 0 | 0 | 108.7 | G275 T279 L409 | G275-T277 PolarHBondContact O-N 2.86Å; T277-T279 PolarHBondContact O-N 3.49Å; T277-L409 HydrophobicContact CG2-CD1 4.27Å | ||
| 278 | K | 37.7 | Very low | 42 | Very low | 197 Ų | 197 | 121.3 Ų | 121.3 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | trans | -64.6 | 121.4 | 152.4 | -72.7 | -169.2 | 174.2 | -171.5 | 0 | 104 | I276 L280 | I276-K278 PolarHBondContact O-N 3.47Å; K278-L280 PolarHBondContact O-N 2.96Å | ||
| 279 | T | 35.9 | Very low | 40 | Very low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -22.5 | 118.6 | 169.5 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | T277 | T277-T279 PolarHBondContact O-N 3.49Š| ||
| 280 | L | 30.3 | Very low | 38.5 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | trans | -48.7 | 125.9 | 173.5 | -171.7 | 70.5 | 0 | 0 | 0 | 107.8 | K278 S282 | K278-L280 PolarHBondContact O-N 2.96Å; L280-S282 PolarHBondContact O-N 3.49Å; L280-S282 VanDerWaalsContact O-N 3.16Å | ||
| 281 | P | 32.4 | Very low | 36.4 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | trans | -61.5 | 122.4 | 173.7 | -14.8 | 27.9 | 0 | 0 | 0 | 107.4 | A283 | P281-A283 PolarHBondContact O-N 2.98Š| ||
| 282 | S | 33.4 | Very low | 34.5 | Very low | 130 Ų | 130 | 132 Ų | 132 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -60.8 | 81.3 | 172.1 | -43 | 0 | 0 | 0 | 0 | 109.2 | L280 | L280-S282 PolarHBondContact O-N 3.49Å; L280-S282 VanDerWaalsContact O-N 3.16Å | ||
| 283 | A | 29.1 | Very low | 32.8 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -107.2 | 61.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P281 | P281-A283 PolarHBondContact O-N 2.98Š| ||
| 284 | L | 26.7 | Very low | 31.3 | Very low | 156 Ų | 156 | 129 Ų | 129 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -88.1 | 125 | 157.2 | -159.7 | 75.2 | 0 | 0 | 0 | 106.3 | Q286 | L284-Q286 PolarHBondContact O-N 3.13Š| ||
| 285 | P | 28.6 | Very low | 30.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -57.1 | 124.3 | 178.5 | -18.8 | 29.8 | 0 | 0 | 0 | 109.2 | G287 | P285-G287 VanDerWaalsContact C-N 3.3Å; P285-G287 PolarHBondContact O-N 3.12Å | ||
| 286 | Q | 32.3 | Very low | 29.5 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -60.3 | 95.7 | 171 | -79.6 | 166.5 | -26.2 | 0 | 0 | 108.3 | L284 V288 | L284-Q286 PolarHBondContact O-N 3.13Å; Q286-V288 PolarHBondContact O-N 3.33Å; Q286-V288 VanDerWaalsContact O-N 3.15Å | ||
| 287 | G | 28 | Very low | 28.7 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -64.2 | 108.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P285 | P285-G287 VanDerWaalsContact C-N 3.3Å; P285-G287 PolarHBondContact O-N 3.12Å | ||
| 288 | V | 27.5 | Very low | 28 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 26.9 | 108.1 | 143.2 | -171.7 | 0 | 0 | 0 | 0 | 115.7 | Q286 | Q286-V288 PolarHBondContact O-N 3.33Å; Q286-V288 VanDerWaalsContact O-N 3.15Å | ||
| 289 | L | 21.7 | Very low | 27.4 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -47.9 | 144 | 165.2 | -79.3 | 114 | 0 | 0 | 0 | 112.6 | ||||
| 290 | P | 27 | Very low | 26.7 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | -128.2 | 134.2 | 123.1 | 10.3 | 10.5 | 0 | 0 | 0 | 112.3 | |||||
| 291 | H | 23.4 | Very low | 26.4 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -10.7 | 123.1 | 157.8 | -85.5 | -105.5 | 0 | 0 | 0 | 116.9 | ||||
| 292 | N | 26.3 | Very low | 25.9 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | -157.4 | 148.8 | 120.4 | -144.9 | -8.6 | 0 | 0 | 0 | 112.2 | |||||
| 293 | S | 27 | Very low | 25.6 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 57% | 0.573 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 156.1 | -163.9 | 54.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 294 | N | 24.2 | Very low | 25.3 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 66.2 | 81.5 | 142.6 | -59.5 | -11.8 | 0 | 0 | 0 | 119.2 | ||||
| 295 | T | 27 | Very low | 25.2 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -149.8 | 106.6 | 136.3 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | I297 | T295-I297 PolarHBondContact O-N 3.22Š| ||
| 296 | S | 22.8 | Very low | 24.9 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -71.2 | 110.7 | 172.1 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 297 | I | 24.7 | Very low | 24.7 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -116.9 | 89.3 | 160 | -59.2 | -179.4 | 0 | 0 | 0 | 107.1 | T295 V299 | T295-I297 PolarHBondContact O-N 3.22Å; I297-V299 HydrophobicContact CG2-CG2 4.3Å; I297-V299 PolarHBondContact O-N 2.72Å | ||
| 298 | K | 21.7 | Very low | 24.3 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -70.6 | 111.7 | 168.6 | -84.4 | 177.8 | 172.2 | 176.3 | 0 | 108.1 | ||||
| 299 | V | 25.7 | Very low | 24.2 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -109 | 90.8 | 156.7 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | I297 | I297-V299 HydrophobicContact CG2-CG2 4.3Å; I297-V299 PolarHBondContact O-N 2.72Å | ||
| 300 | S | 20.8 | Very low | 24.3 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 116.1 | 171.6 | 45.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 301 | C | 23.7 | Very low | 24.1 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 86% | 0.858 | 79% | 0.791 | S | S | * | * | trans | -113.1 | 95.1 | 148.4 | -82 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 302 | L | 22.7 | Very low | 24 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -68.9 | 132.8 | 161.5 | -93 | 79.4 | 0 | 0 | 0 | 109.2 | ||||
| 303 | S | 27 | Very low | 24 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 178.9 | 80 | 145.5 | -174.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 304 | S | 22.7 | Very low | 23.8 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | 48.1 | 85.1 | 87.1 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 305 | C | 24.6 | Very low | 23.8 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -121.3 | 92 | 148.7 | -96.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 306 | E | 22 | Very low | 23.6 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -72.4 | 113.7 | 162.3 | -73.1 | 172.1 | 140.7 | 0 | 0 | 108 | ||||
| 307 | I | 27.4 | Very low | 23.6 | Very low | 168 Ų | 168 | 139 Ų | 139 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | trans | -131.4 | 101 | 148.3 | -60.3 | -176.8 | 0 | 0 | 0 | 107 | ||||
| 308 | L | 21.2 | Very low | 23.6 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -52 | 121.9 | 164.4 | -168.9 | 83.3 | 0 | 0 | 0 | 110.4 | ||||
| 309 | N | 24.9 | Very low | 23.6 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | -166.6 | 136 | 123 | -127.3 | -12.8 | 0 | 0 | 0 | 113.5 | |||||
| 310 | N | 22.5 | Very low | 23.6 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -61.4 | 140 | 172.6 | -66.6 | -48.3 | 0 | 0 | 0 | 111.5 | ||||
| 311 | Q | 24.8 | Very low | 23.8 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | 175.6 | 104.3 | 126 | -96.9 | 168 | 8.9 | 0 | 0 | 109.9 | |||||
| 312 | S | 19.7 | Very low | 23.7 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 130.2 | 156.8 | -36.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 313 | P | 26.9 | Very low | 23.9 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | -136.1 | 134.7 | 127.1 | 27.7 | -11.2 | 0 | 0 | 0 | 112 | |||||
| 314 | V | 22.1 | Very low | 23.7 | Very low | 140 Ų | 140 | 138 Ų | 138 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -52.9 | 127.6 | 168.1 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 315 | L | 25.3 | Very low | 23.8 | Very low | 168 Ų | 168 | 140 Ų | 140 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -149.4 | 131.7 | 148.3 | -149.2 | 70.1 | 0 | 0 | 0 | 111.6 | ||||
| 316 | S | 22.7 | Very low | 23.8 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -65 | 163.7 | -175.2 | 41.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 317 | P | 22.5 | Very low | 24 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -85.3 | 132.6 | -165.5 | 33.6 | -31.4 | 0 | 0 | 0 | 112.1 | ||||
| 318 | T | 25.1 | Very low | 23.8 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -126.5 | 139.3 | 165.2 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 319 | A | 22.5 | Very low | 23.9 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | trans | -67.6 | 169 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 320 | N | 24.1 | Very low | 23.7 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | 82.8 | 132.4 | 159.9 | -63.3 | -16.3 | 0 | 0 | 0 | 117.9 | ||||
| 321 | G | 25.3 | Very low | 23.7 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 124.1 | 102.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N323 | G321-N323 PolarHBondContact O-N 2.78Š| ||
| 322 | D | 22.7 | Very low | 23.6 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | -41.4 | 128 | 166.2 | -61.1 | -58.6 | 0 | 0 | 0 | 112.3 | ||||
| 323 | N | 25.4 | Very low | 23.7 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -148.7 | 120.8 | 151.3 | -142.7 | -0.3 | 0 | 0 | 0 | 111.3 | G321 N325 | G321-N323 PolarHBondContact O-N 2.78Å; N323-N325 PolarHBondContact O-N 3.24Å | ||
| 324 | D | 23.9 | Very low | 23.6 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -60.3 | 94.1 | 176.8 | -78.7 | -47.7 | 0 | 0 | 0 | 111.1 | ||||
| 325 | N | 24.1 | Very low | 23.7 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -100.7 | 90.1 | 169.6 | -75.2 | -25.4 | 0 | 0 | 0 | 110.1 | N323 H327 | N323-N325 PolarHBondContact O-N 3.24Å; N325-H327 PolarHBondContact O-N 3.38Å | ||
| 326 | N | 25.5 | Very low | 23.6 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 21.5 | 96.8 | 138.1 | -61.6 | -33.2 | 0 | 0 | 0 | 115.2 | E328 | N326-E328 VanDerWaalsContact C-N 3.35Å; N326-E328 PolarHBondContact O-N 2.96Å | ||
| 327 | H | 25.7 | Very low | 23.8 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -60.7 | 98 | 161.7 | -90.4 | -66.6 | 0 | 0 | 0 | 109.4 | N325 I329 | N325-H327 PolarHBondContact O-N 3.38Å; H327-I329 PolarHBondContact O-N 2.99Å; H327-I329 VanDerWaalsContact O-N 3.12Å | ||
| 328 | E | 23.6 | Very low | 24 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -56.6 | 113.3 | 165.5 | -78.9 | -174.6 | 145.8 | 0 | 0 | 109.3 | N326 L330 | N326-E328 VanDerWaalsContact C-N 3.35Å; N326-E328 PolarHBondContact O-N 2.96Å; E328-L330 PolarHBondContact O-N 2.85Å; E328-L330 VanDerWaalsContact O-N 3.09Å | ||
| 329 | I | 22.5 | Very low | 23.9 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 101.4 | 172.2 | -63.3 | 174 | 0 | 0 | 0 | 106.6 | H327 V331 | H327-I329 PolarHBondContact O-N 2.99Å; H327-I329 VanDerWaalsContact O-N 3.12Å; I329-V331 VanDerWaalsContact C-N 3.34Å; I329-V331 HydrophobicContact CG2-CG2 4.21Å; I329-V331 PolarHBondContact O-N 2.97Å | ||
| 330 | L | 22.1 | Very low | 24.1 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -63.6 | 92.9 | 171 | -164.9 | 83.2 | 0 | 0 | 0 | 109.3 | E328 C332 | E328-L330 PolarHBondContact O-N 2.85Å; E328-L330 VanDerWaalsContact O-N 3.09Å; L330-C332 PolarHBondContact O-N 2.64Å; L330-C332 VanDerWaalsContact O-N 3.11Å | ||
| 331 | V | 22.3 | Very low | 24 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 96.8 | 171.7 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | I329 N333 | I329-V331 VanDerWaalsContact C-N 3.34Å; I329-V331 HydrophobicContact CG2-CG2 4.21Å; I329-V331 PolarHBondContact O-N 2.97Å; V331-N333 PolarHBondContact O-N 3.06Å | ||
| 332 | C | 21.8 | Very low | 23.9 | Very low | 94 Ų | 94 | 154.7 Ų | 154.7 | 64% | 0.635 | 78% | 0.78 | S | S | * | * | trans | -71 | 101.6 | 169 | -78.6 | 0 | 0 | 0 | 0 | 109.3 | L330 I334 | L330-C332 PolarHBondContact O-N 2.64Å; L330-C332 VanDerWaalsContact O-N 3.11Å; C332-I334 PolarHBondContact O-N 3.5Å; C332-I334 VanDerWaalsContact O-N 3.1Å | ||
| 333 | N | 21.7 | Very low | 23.9 | Very low | 141 Ų | 141 | 154.6 Ų | 154.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -75.5 | 88.8 | 170.6 | -159.2 | 10.9 | 0 | 0 | 0 | 108.7 | V331 N335 | V331-N333 PolarHBondContact O-N 3.06Å; N333-N335 PolarHBondContact O-N 2.93Å; N333-N335 VanDerWaalsContact O-N 3.12Å | ||
| 334 | I | 25.1 | Very low | 23.8 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -77.9 | 100.1 | 176.3 | -60.3 | 175.5 | 0 | 0 | 0 | 107.6 | C332 E336 | C332-I334 PolarHBondContact O-N 3.5Å; C332-I334 VanDerWaalsContact O-N 3.1Å; I334-E336 PolarHBondContact O-N 3.3Å | ||
| 335 | N | 24.6 | Very low | 23.7 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -53.1 | 131 | 173.2 | -93 | -11.8 | 0 | 0 | 0 | 111.8 | N333 N337 | N333-N335 PolarHBondContact O-N 2.93Å; N333-N335 VanDerWaalsContact O-N 3.12Å; N335-N337 PolarHBondContact O-N 3.28Å | ||
| 336 | E | 23.2 | Very low | 23.7 | Very low | 193 Ų | 193 | 156.4 Ų | 156.4 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 82.4 | 178 | -63.1 | -168.6 | 149.9 | 0 | 0 | 112.5 | I334 K338 | I334-E336 PolarHBondContact O-N 3.3Å; E336-K338 PolarHBondContact O-N 2.92Å | ||
| 337 | N | 26.7 | Very low | 23.7 | Very low | 142 Ų | 142 | 157.3 Ų | 157.3 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -87.1 | 102.4 | 174.6 | -90.9 | -36.7 | 0 | 0 | 0 | 112.6 | N335 | N335-N337 PolarHBondContact O-N 3.28Š| ||
| 338 | K | 26.8 | Very low | 23.6 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 52 | 99.2 | 144.4 | -70.6 | 178.2 | 178.1 | 175.1 | 0 | 117.9 | E336 I340 | E336-K338 PolarHBondContact O-N 2.92Å; K338-I340 PolarHBondContact O-N 2.9Å; K338-I340 VanDerWaalsContact O-N 3.09Å | ||
| 339 | K | 23 | Very low | 23.9 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -46.7 | 104.3 | 156.6 | -81.7 | 168.8 | 173.8 | 159.3 | 0 | 111.7 | K341 | K339-K341 PolarHBondContact O-N 3.29Š| ||
| 340 | I | 25.2 | Very low | 24 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -91 | 92.8 | 156.5 | -61.7 | 176.6 | 0 | 0 | 0 | 107.2 | K338 K342 | K338-I340 PolarHBondContact O-N 2.9Å; K338-I340 VanDerWaalsContact O-N 3.09Å; I340-K342 HydrophobicContact CG2-CG 4.31Å; I340-K342 PolarHBondContact O-N 3.14Å; I340-K342 VanDerWaalsContact O-N 3.15Å | ||
| 341 | K | 23.6 | Very low | 24.2 | Very low | 158 Ų | 158 | 159.5 Ų | 159.5 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -72.4 | 95.9 | 169.4 | -75.1 | -179.4 | 176.4 | 179.4 | 0 | 108.3 | K339 H343 | K339-K341 PolarHBondContact O-N 3.29Å; K341-H343 PolarHBondContact O-N 3.18Å; K341-H343 VanDerWaalsContact O-N 3.12Å | ||
| 342 | K | 23.1 | Very low | 24.4 | Very low | 185 Ų | 185 | 160 Ų | 160 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -70.7 | 105.1 | 165.7 | -74.1 | -170.4 | 178 | -177.4 | 0 | 108.5 | I340 V344 | I340-K342 HydrophobicContact CG2-CG 4.31Å; I340-K342 PolarHBondContact O-N 3.14Å; I340-K342 VanDerWaalsContact O-N 3.15Å; K342-V344 PolarHBondContact O-N 3.46Å; K342-V344 VanDerWaalsContact O-N 3.11Å | ||
| 343 | H | 21.3 | Very low | 24.5 | Very low | 168 Ų | 168 | 164.5 Ų | 164.5 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 97.7 | 167.6 | -87.7 | -93.2 | 0 | 0 | 0 | 108.6 | K341 K345 | K341-H343 PolarHBondContact O-N 3.18Å; K341-H343 VanDerWaalsContact O-N 3.12Å; H343-K345 PolarHBondContact O-N 3.39Å | ||
| 344 | V | 24.6 | Very low | 24.7 | Very low | 104 Ų | 104 | 163 Ų | 163 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | trans | -80 | 100.7 | 160.8 | -179.5 | 0 | 0 | 0 | 0 | 106.2 | K342 F346 | K342-V344 PolarHBondContact O-N 3.46Å; K342-V344 VanDerWaalsContact O-N 3.11Å; V344-F346 HydrophobicContact CB-CE2 4.3Å; V344-F346 HydrophobicContact CG1-CD2 4.25Å; V344-F346 HydrophobicContact CG1-CE2 3.85Å; V344-F346 HydrophobicContact CG1-CZ 4.06Å; V344-F346 PolarHBondContact O-N 2.87Å; V344-F346 VanDerWaalsContact O-N 3.15Å | ||
| 345 | K | 20.9 | Very low | 24.8 | Very low | 192 Ų | 192 | 163.2 Ų | 163.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 103.6 | 170.3 | -97.2 | -178.6 | 175.6 | 176.9 | 0 | 107.7 | H343 I347 | H343-K345 PolarHBondContact O-N 3.39Å; K345-I347 PolarHBondContact O-N 3.35Å | ||
| 346 | F | 24.7 | Very low | 24.9 | Very low | 172 Ų | 172 | 164.8 Ų | 164.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -75 | 120.2 | 160.7 | -70.5 | -85.3 | 0 | 0 | 0 | 107.6 | V344 H348 | V344-F346 HydrophobicContact CB-CE2 4.3Å; V344-F346 HydrophobicContact CG1-CD2 4.25Å; V344-F346 HydrophobicContact CG1-CE2 3.85Å; V344-F346 HydrophobicContact CG1-CZ 4.06Å; V344-F346 PolarHBondContact O-N 2.87Å; V344-F346 VanDerWaalsContact O-N 3.15Å; F346-H348 PolarHBondContact O-N 3.47Å; F346-H348 VanDerWaalsContact O-N 3.07Å | ||
| 347 | I | 25.2 | Very low | 25.2 | Very low | 164 Ų | 164 | 159.3 Ų | 159.3 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -63.5 | 109.4 | 168.1 | -66.9 | 169.7 | 0 | 0 | 0 | 106.2 | K345 | K345-I347 PolarHBondContact O-N 3.35Š| ||
| 348 | H | 24 | Very low | 25.6 | Very low | 171 Ų | 171 | 161 Ų | 161 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 127 | 170.2 | -103.8 | -0.6 | 0 | 0 | 0 | 108.9 | F346 R350 | F346-H348 PolarHBondContact O-N 3.47Å; F346-H348 VanDerWaalsContact O-N 3.07Å; H348-R350 PolarHBondContact O-N 2.88Å |
| 349 | P | 29 | Very low | 26.1 | Very low | 107 Ų | 107 | 159.5 Ų | 159.5 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138 | 169.6 | -18.7 | 30.6 | 0 | 0 | 0 | 110.2 | K351 | P349-K351 PolarHBondContact O-N 3.41Š|
| 350 | R | 25.5 | Very low | 27.1 | Very low | 241 Ų | 241 | 155.1 Ų | 155.1 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 127.4 | 176.4 | -153.8 | 174.8 | -153.2 | 171.3 | 4.1 | 109.4 | H348 T352 | H348-R350 PolarHBondContact O-N 2.88Å; R350-T352 PolarHBondContact O-N 3.44Å |
| 351 | K | 25.1 | Very low | 28.2 | Very low | 201 Ų | 201 | 154 Ų | 154 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -53.8 | 106.2 | 173.6 | -71.3 | 177.5 | 176.9 | 179.6 | 0 | 108.9 | P349 | P349-K351 PolarHBondContact O-N 3.41Š| ||
| 352 | T | 26.5 | Very low | 29.1 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | trans | -84.7 | 116.7 | 155.2 | 38.1 | 0 | 0 | 0 | 0 | 106.8 | R350 S354 | R350-T352 PolarHBondContact O-N 3.44Å; T352-S354 VanDerWaalsContact C-N 3.33Å; T352-S354 PolarHBondContact O-N 2.94Å | ||
| 353 | E | 25.9 | Very low | 30.6 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | -66 | 89.9 | 174.8 | -67.7 | 175.6 | 160.3 | 0 | 0 | 108.9 | ||||
| 354 | S | 24.7 | Very low | 32 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -105.4 | 104.4 | 163.9 | 79.9 | 0 | 0 | 0 | 0 | 109.3 | T352 | T352-S354 VanDerWaalsContact C-N 3.33Å; T352-S354 PolarHBondContact O-N 2.94Å | ||
| 355 | I | 26.7 | Very low | 33.3 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | -45.3 | 150.6 | 169.9 | -65.7 | 158.5 | 0 | 0 | 0 | 111.2 | ||||
| 356 | H | 27.6 | Very low | 35.1 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | 92.3 | 56.7 | 166.5 | -113.8 | 53.7 | 0 | 0 | 0 | 118.6 | K358 | H356-K358 PolarHBondContact O-N 3.2Š| ||
| 357 | G | 29.7 | Very low | 36.6 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | -74.4 | 97.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N359 | G357-N359 PolarHBondContact O-N 3.22Š| ||
| 358 | K | 34.5 | Very low | 38 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | trans | -60.7 | 115.8 | 169.1 | -73.4 | -178.6 | 177.1 | 179.9 | 0 | 109 | H356 T360 | H356-K358 PolarHBondContact O-N 3.2Å; K358-T360 PolarHBondContact O-N 3.16Å | ||
| 359 | N | 36.8 | Very low | 39.7 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | trans | -50.1 | 107.4 | 171 | -94 | -17.5 | 0 | 0 | 0 | 109.7 | G357 N361 | G357-N359 PolarHBondContact O-N 3.22Å; N359-N361 PolarHBondContact O-N 2.99Å | ||
| 360 | T | 44.9 | Very low | 41.3 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | trans | -81.5 | 105.8 | 168.5 | 41.3 | 0 | 0 | 0 | 0 | 107 | K358 C362 | K358-T360 PolarHBondContact O-N 3.16Å; T360-C362 PolarHBondContact O-N 3.39Å | ||
| 361 | N | 48.2 | Very low | 42.9 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | trans | -64.1 | 78.5 | -177.5 | -66.4 | -17 | 0 | 0 | 0 | 111.3 | N359 T363 Q501 | N359-N361 PolarHBondContact O-N 2.99Å; N361-T363 PolarHBondContact O-N 3.32Å; N361-Q501 PolarHBondContact O-OE1 2.96Å | ||
| 362 | C | 43.4 | Very low | 44.6 | Very low | 63 Ų | 63 | 111.1 Ų | 111.1 | 43% | 0.426 | 61% | 0.609 | S | S | . | * | trans | -59.2 | 112.6 | 166.3 | -141.9 | 0 | 0 | 0 | 0 | 107.1 | T360 L364 C502 | T360-C362 PolarHBondContact O-N 3.39Å; C362-L364 PolarHBondContact O-N 3.36Å; C362-C502 PolarHBondContact SG-SG 2.76Å | ||
| 363 | T | 52.9 | Low | 46.3 | Very low | 76 Ų | 76 | 106.1 Ų | 106.1 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | trans | -58.1 | 139.9 | 178.7 | 57.4 | 0 | 0 | 0 | 0 | 109 | N361 F365 S366 C367 | N361-T363 PolarHBondContact O-N 3.32Å; T363-F365 PolarHBondContact O-N 3.25Å; T363-S366 WeakPolarHBondContact O-CB 3.29Å; T363-S366 PolarHBondContact O-N 3.44Å; T363-C367 PolarHBondContact O-N 3.28Å | ||
| 364 | L | 51.3 | Low | 47.9 | Very low | 148 Ų | 148 | 101.1 Ų | 101.1 | 78% | 0.775 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -48.6 | -36.7 | 179.6 | -166.6 | 75.5 | 0 | 0 | 0 | 111.5 | C362 S366 C367 C368 | C362-L364 PolarHBondContact O-N 3.36Å; L364-S366 PolarHBondContact O-N 2.79Å; L364-C367 PolarHBondContact O-N 3.42Å; L364-C368 PolarHBondContact O-N 3.24Å; L364-C368 VanDerWaalsContact O-N 3.08Å; L364-C368 PolarHBondContact O-SG 3.02Å |
| 365 | F | 53.2 | Low | 49.1 | Very low | 133 Ų | 133 | 103.6 Ų | 103.6 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.3 | -41.9 | 176.1 | -161 | -99.9 | 0 | 0 | 0 | 113.5 | T363 Y369 L498 | T363-F365 PolarHBondContact O-N 3.25Å; F365-Y369 WeakPolarHBondContact O-CB 3.33Å; F365-Y369 PolarHBondContact O-N 3.36Å; F365-L498 HydrophobicContact CE1-CD1 4Å; F365-L498 HydrophobicContact CE1-CD2 4.1Å |
| 366 | S | 57.4 | Low | 49.9 | Very low | 3 Ų | 3 | 100.2 Ų | 100.2 | 2% | 0.021 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -65.9 | -41.7 | -179.8 | -177 | 0 | 0 | 0 | 0 | 111.9 | T363 L364 R370 C499 | T363-S366 WeakPolarHBondContact O-CB 3.29Å; T363-S366 PolarHBondContact O-N 3.44Å; L364-S366 PolarHBondContact O-N 2.79Å; S366-R370 WeakPolarHBondContact O-CB 3.33Å; S366-R370 PolarHBondContact O-N 3.21Å; S366-R370 VanDerWaalsContact O-N 3.09Å; S366-C499 WeakPolarHBondContact OG-CB 3.42Å; S366-C499 PolarHBondContact OG-SG 3.49Å |
| 367 | C | 56.4 | Low | 50.5 | Low | 77 Ų | 77 | 96.3 Ų | 96.3 | 52% | 0.52 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.4 | -42.2 | -178.8 | -154.9 | 0 | 0 | 0 | 0 | 111.9 | T363 L364 R370 T371 | T363-C367 PolarHBondContact O-N 3.28Å; L364-C367 PolarHBondContact O-N 3.42Å; C367-R370 PolarHBondContact O-N 2.85Å; C367-T371 PolarHBondContact O-N 3.33Å; C367-T371 VanDerWaalsContact O-N 3.1Å; C367-T371 PolarHBondContact O-OG1 3.1Å |
| 368 | C | 55.2 | Low | 50.7 | Low | 64 Ų | 64 | 96.8 Ų | 96.8 | 43% | 0.432 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174 | -71.7 | 0 | 0 | 0 | 0 | 111.4 | L364 R370 T371 I372 | L364-C368 PolarHBondContact O-N 3.24Å; L364-C368 VanDerWaalsContact O-N 3.08Å; L364-C368 PolarHBondContact O-SG 3.02Å; C368-R370 PolarHBondContact O-N 3.37Å; C368-T371 PolarHBondContact O-N 2.77Å; C368-I372 VanDerWaalsContact O-CG1 3.28Å; C368-I372 WeakPolarHBondContact O-CG1 3.21Å; C368-I372 PolarHBondContact O-N 3.37Å |
| 369 | Y | 59.5 | Low | 50.9 | Low | 23 Ų | 23 | 94 Ų | 94 | 9% | 0.09 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | -179 | -167.8 | -83.8 | 0 | 0 | 0 | 112.1 | F365 T371 I372 F373 A484 F494 L495 L498 | F365-Y369 WeakPolarHBondContact O-CB 3.33Å; F365-Y369 PolarHBondContact O-N 3.36Å; Y369-T371 VanDerWaalsContact C-N 3.32Å; Y369-T371 PolarHBondContact O-N 3.08Å; Y369-I372 PolarHBondContact O-N 3.3Å; Y369-F373 AromaticContact CD1-CD2 3.93Å; Y369-F373 HydrophobicContact CD1-CD2 3.93Å; Y369-F373 AromaticContact CD2-CD2 3.73Å; Y369-F373 HydrophobicContact CD2-CD2 3.73Å; Y369-F373 AromaticContact CD2-CE2 3.73Å; Y369-F373 HydrophobicContact CD2-CE2 3.73Å; Y369-F373 HydrophobicContact CE1-CB 4.25Å; Y369-F373 AromaticContact CE1-CD2 3.74Å; Y369-F373 HydrophobicContact CE1-CD2 3.74Å; Y369-F373 HydrophobicContact CE1-CE2 4.46Å; Y369-F373 HydrophobicContact CE1-CG 4.2Å; Y369-F373 AromaticContact CE2-CD2 3.53Å; Y369-F373 HydrophobicContact CE2-CD2 3.53Å; Y369-F373 AromaticContact CE2-CE2 3.41Å; Y369-F373 HydrophobicContact CE2-CE2 3.41Å; Y369-F373 VanDerWaalsContact CE2-CE2 3.41Å; Y369-F373 HydrophobicContact CE2-CZ 4.33Å; Y369-F373 AromaticContact CG-CD2 3.92Å; Y369-F373 HydrophobicContact CG-CD2 3.92Å; Y369-F373 HydrophobicContact CG-CE2 4.36Å; Y369-F373 AromaticContact CZ-CD2 3.51Å; Y369-F373 AromaticContact CZ-CE2 3.8Å; Y369-F373 WeakPolarHBondContact O-CB 3.31Å; Y369-F373 WeakPolarHBondContact O-CD2 3.36Å; Y369-F373 PolarHBondContact O-N 2.96Å; Y369-A484 WeakPolarHBondContact OH-CB 3.44Å; Y369-F494 HydrophobicContact CE1-CB 4.37Å; Y369-F494 WeakPolarHBondContact OH-CB 3.24Å; Y369-F494 WeakPolarHBondContact OH-CD2 3.34Å; Y369-L495 HydrophobicContact CD1-CD2 3.48Å; Y369-L495 VanDerWaalsContact CD1-CD2 3.48Å; Y369-L495 HydrophobicContact CD1-CG 4.26Å; Y369-L495 HydrophobicContact CE1-CD2 3.71Å; Y369-L495 HydrophobicContact CE1-CG 3.97Å; Y369-L498 HydrophobicContact CD1-CD1 4.38Å; Y369-L498 HydrophobicContact CD2-CD1 3.95Å; Y369-L498 HydrophobicContact CE1-CD1 4.35Å; Y369-L498 HydrophobicContact CE2-CD1 3.92Å; Y369-L498 HydrophobicContact CG-CD1 4.19Å |
| 370 | R | 61.8 | Low | 50.5 | Low | 139 Ų | 139 | 95.3 Ų | 95.3 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 177.1 | -159 | 175.6 | -174.1 | -158.9 | 0.5 | 111.7 | S366 C367 C368 N374 L495 | S366-R370 WeakPolarHBondContact O-CB 3.33Å; S366-R370 PolarHBondContact O-N 3.21Å; S366-R370 VanDerWaalsContact O-N 3.09Å; C367-R370 PolarHBondContact O-N 2.85Å; C368-R370 PolarHBondContact O-N 3.37Å; R370-N374 WeakPolarHBondContact O-CB 3.46Å; R370-N374 PolarHBondContact O-N 2.96Å; R370-N374 VanDerWaalsContact O-N 3.08Å; R370-L495 HydrophobicContact CB-CD2 4.49Å; R370-L495 HydrophobicContact CG-CD2 4.44Å |
| 371 | T | 59.2 | Low | 49.7 | Very low | 114 Ų | 114 | 95.4 Ų | 95.4 | 70% | 0.699 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.5 | -44.6 | 178.2 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | C367 C368 Y369 | C367-T371 PolarHBondContact O-N 3.33Å; C367-T371 VanDerWaalsContact O-N 3.1Å; C367-T371 PolarHBondContact O-OG1 3.1Å; C368-T371 PolarHBondContact O-N 2.77Å; Y369-T371 VanDerWaalsContact C-N 3.32Å; Y369-T371 PolarHBondContact O-N 3.08Å |
| 372 | I | 61.3 | Low | 48.9 | Very low | 124 Ų | 124 | 97.2 Ų | 97.2 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | -179 | -65.4 | 164.2 | 0 | 0 | 0 | 111.5 | C368 Y369 | C368-I372 VanDerWaalsContact O-CG1 3.28Å; C368-I372 WeakPolarHBondContact O-CG1 3.21Å; C368-I372 PolarHBondContact O-N 3.37Å; Y369-I372 PolarHBondContact O-N 3.3Å |
| 373 | F | 61.2 | Low | 48.2 | Very low | 25 Ų | 25 | 100 Ų | 100 | 11% | 0.11 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -106.3 | -9.1 | -165.3 | -70.7 | -74.2 | 0 | 0 | 0 | 115.6 | Y369 R375 A484 R491 | Y369-F373 AromaticContact CD1-CD2 3.93Å; Y369-F373 HydrophobicContact CD1-CD2 3.93Å; Y369-F373 AromaticContact CD2-CD2 3.73Å; Y369-F373 HydrophobicContact CD2-CD2 3.73Å; Y369-F373 AromaticContact CD2-CE2 3.73Å; Y369-F373 HydrophobicContact CD2-CE2 3.73Å; Y369-F373 HydrophobicContact CE1-CB 4.25Å; Y369-F373 AromaticContact CE1-CD2 3.74Å; Y369-F373 HydrophobicContact CE1-CD2 3.74Å; Y369-F373 HydrophobicContact CE1-CE2 4.46Å; Y369-F373 HydrophobicContact CE1-CG 4.2Å; Y369-F373 AromaticContact CE2-CD2 3.53Å; Y369-F373 HydrophobicContact CE2-CD2 3.53Å; Y369-F373 AromaticContact CE2-CE2 3.41Å; Y369-F373 HydrophobicContact CE2-CE2 3.41Å; Y369-F373 VanDerWaalsContact CE2-CE2 3.41Å; Y369-F373 HydrophobicContact CE2-CZ 4.33Å; Y369-F373 AromaticContact CG-CD2 3.92Å; Y369-F373 HydrophobicContact CG-CD2 3.92Å; Y369-F373 HydrophobicContact CG-CE2 4.36Å; Y369-F373 AromaticContact CZ-CD2 3.51Å; Y369-F373 AromaticContact CZ-CE2 3.8Å; Y369-F373 WeakPolarHBondContact O-CB 3.31Å; Y369-F373 WeakPolarHBondContact O-CD2 3.36Å; Y369-F373 PolarHBondContact O-N 2.96Å; F373-R375 PolarHBondContact O-N 2.94Å; F373-A484 HydrophobicContact CD1-CB 4.12Å; F373-A484 HydrophobicContact CE1-CB 3.67Å; F373-A484 HydrophobicContact CZ-CB 4Å; F373-R491 HydrophobicContact CB-CG 4.33Å; F373-R491 VanDerWaalsContact O-CD 3.25Å; F373-R491 WeakPolarHBondContact O-CD 3.49Å; F373-R491 VanDerWaalsContact O-CZ 3.29Å; F373-R491 PolarHBondContact O-NH1 2.96Å |
| 374 | N | 59.6 | Low | 47.3 | Very low | 84 Ų | 84 | 104 Ų | 104 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | trans | -75.9 | 70.6 | -177.4 | -168.5 | 15.4 | 0 | 0 | 0 | 112.9 | R370 S376 | R370-N374 WeakPolarHBondContact O-CB 3.46Å; R370-N374 PolarHBondContact O-N 2.96Å; R370-N374 VanDerWaalsContact O-N 3.08Å; N374-S376 PolarHBondContact O-N 3.31Å; N374-S376 PolarHBondContact OD1-N 3.42Å; N374-S376 PolarHBondContact OD1-OG 3Å | ||
| 375 | R | 50.7 | Low | 46.3 | Very low | 161 Ų | 161 | 105 Ų | 105 | 61% | 0.608 | 55% | 0.551 | S | S | * | * | trans | -76.2 | 77.8 | 159.3 | -162.5 | 171.3 | -178.7 | 169.1 | 4.7 | 108.2 | F373 N377 R491 | F373-R375 PolarHBondContact O-N 2.94Å; R375-N377 VanDerWaalsContact C-N 3.34Å; R375-N377 PolarHBondContact O-N 3.24Å; R375-R491 PolarHBondContact O-NH2 2.9Å | ||
| 376 | S | 43.5 | Very low | 45.2 | Very low | 86 Ų | 86 | 104.2 Ų | 104.2 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | trans | -63.9 | 99.6 | 164.4 | -80.4 | 0 | 0 | 0 | 0 | 107 | N374 A378 | N374-S376 PolarHBondContact O-N 3.31Å; N374-S376 PolarHBondContact OD1-N 3.42Å; N374-S376 PolarHBondContact OD1-OG 3Å; S376-A378 PolarHBondContact O-N 2.63Å | ||
| 377 | N | 40.1 | Very low | 44 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 40% | 0.401 | 58% | 0.58 | S | S | . | * | trans | -61.9 | 100.4 | 156.4 | -105 | 41.1 | 0 | 0 | 0 | 104.7 | R375 N379 R488 | R375-N377 VanDerWaalsContact C-N 3.34Å; R375-N377 PolarHBondContact O-N 3.24Å; N377-N379 PolarHBondContact ND2-OD1 3.35Å; N377-N379 PolarHBondContact O-N 3.03Å; N377-R488 VanDerWaalsContact CG-NH2 3.28Å; N377-R488 PolarHBondContact ND2-NH2 3.24Å; N377-R488 PolarHBondContact OD1-NH2 3.14Å; N377-R488 VanDerWaalsContact OD1-NH2 3.14Å | ||
| 378 | A | 34.5 | Very low | 42.8 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 71% | 0.711 | 59% | 0.594 | S | S | * | * | trans | -60.2 | 71.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107 | S376 K380 | S376-A378 PolarHBondContact O-N 2.63Å; A378-K380 PolarHBondContact O-N 2.79Å | ||
| 379 | N | 37.2 | Very low | 41.9 | Very low | 121 Ų | 121 | 116 Ų | 116 | 65% | 0.647 | 61% | 0.611 | S | S | * | * | trans | -66.1 | 86.4 | 147.8 | -71.9 | 9 | 0 | 0 | 0 | 102.3 | N377 S381 | N377-N379 PolarHBondContact ND2-OD1 3.35Å; N377-N379 PolarHBondContact O-N 3.03Å; N379-S381 VanDerWaalsContact C-N 3.29Å; N379-S381 PolarHBondContact O-N 3.41Å | ||
| 380 | K | 29.1 | Very low | 40.5 | Very low | 178 Ų | 178 | 121 Ų | 121 | 77% | 0.774 | 64% | 0.644 | S | S | * | * | trans | -44.8 | 108.8 | 161.3 | -82.8 | 178.7 | 174 | 178 | 0 | 103.8 | A378 L382 | A378-K380 PolarHBondContact O-N 2.79Å; K380-L382 PolarHBondContact O-N 2.92Å | ||
| 381 | S | 28.5 | Very low | 39.2 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | trans | -53.3 | 104.9 | 155 | 49.6 | 0 | 0 | 0 | 0 | 102.6 | N379 T383 | N379-S381 VanDerWaalsContact C-N 3.29Å; N379-S381 PolarHBondContact O-N 3.41Å; S381-T383 PolarHBondContact O-N 3.49Å | ||
| 382 | L | 30.8 | Very low | 38.2 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 85% | 0.848 | 65% | 0.653 | S | S | * | * | trans | -55.3 | 105.8 | 161.5 | -105.6 | 81.9 | 0 | 0 | 0 | 102.9 | K380 Q384 | K380-L382 PolarHBondContact O-N 2.92Å; L382-Q384 PolarHBondContact O-N 3.39Å; L382-Q384 VanDerWaalsContact O-N 3.08Å | ||
| 383 | T | 29.5 | Very low | 37.2 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | -53.5 | 117 | 171.9 | 42.2 | 0 | 0 | 0 | 0 | 105.2 | S381 K385 | S381-T383 PolarHBondContact O-N 3.49Å; T383-K385 PolarHBondContact O-N 2.86Å; T383-K385 VanDerWaalsContact O-N 3.17Å | ||
| 384 | Q | 32.5 | Very low | 36.4 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | trans | -44.4 | 117.4 | 171.5 | -176.1 | 176.2 | -31.6 | 0 | 0 | 108 | L382 D386 | L382-Q384 PolarHBondContact O-N 3.39Å; L382-Q384 VanDerWaalsContact O-N 3.08Å; Q384-D386 PolarHBondContact NE2-OD1 2.92Å; Q384-D386 PolarHBondContact O-N 3.19Å | ||
| 385 | K | 30.3 | Very low | 35.9 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | trans | -81.5 | 103.3 | 169 | -164.4 | -175.6 | 179.1 | -150.4 | 0 | 104.5 | T383 D387 | T383-K385 PolarHBondContact O-N 2.86Å; T383-K385 VanDerWaalsContact O-N 3.17Å; K385-D387 WeakPolarHBondContact CD-OD1 3.43Å; K385-D387 VanDerWaalsContact CE-OD1 3.27Å; K385-D387 WeakPolarHBondContact CE-OD1 3.22Å; K385-D387 IonicContact NZ-OD1 3.31Å; K385-D387 PolarHBondContact NZ-OD1 2.94Å; K385-D387 PolarHBondContact O-N 3.38Å | ||
| 386 | D | 30.9 | Very low | 35.9 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | trans | -70.1 | 87.9 | 169.7 | -65.2 | -38.3 | 0 | 0 | 0 | 106.6 | Q384 N388 | Q384-D386 PolarHBondContact NE2-OD1 2.92Å; Q384-D386 PolarHBondContact O-N 3.19Å; D386-N388 PolarHBondContact O-N 3.32Å | ||
| 387 | D | 32.9 | Very low | 36.4 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 57% | 0.572 | 71% | 0.708 | S | S | * | * | trans | -74.7 | 100.4 | 164.6 | -67.6 | -37.1 | 0 | 0 | 0 | 105.5 | K385 V389 | K385-D387 WeakPolarHBondContact CD-OD1 3.43Å; K385-D387 VanDerWaalsContact CE-OD1 3.27Å; K385-D387 WeakPolarHBondContact CE-OD1 3.22Å; K385-D387 IonicContact NZ-OD1 3.31Å; K385-D387 PolarHBondContact NZ-OD1 2.94Å; K385-D387 PolarHBondContact O-N 3.38Å; D387-V389 VanDerWaalsContact C-N 3.28Å; D387-V389 PolarHBondContact O-N 3.05Å | ||
| 388 | N | 29.9 | Very low | 37.2 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -59.7 | 90.9 | 169 | -82.9 | -7.5 | 0 | 0 | 0 | 108.4 | D386 T390 | D386-N388 PolarHBondContact O-N 3.32Å; N388-T390 PolarHBondContact O-N 3.24Å | ||
| 389 | V | 36.3 | Very low | 38.4 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | -81 | 107 | 168.1 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | D387 A391 | D387-V389 VanDerWaalsContact C-N 3.28Å; D387-V389 PolarHBondContact O-N 3.05Å; V389-A391 PolarHBondContact O-N 3.02Å | ||
| 390 | T | 31.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -55.3 | 118.7 | 170.8 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | N388 T392 | N388-T390 PolarHBondContact O-N 3.24Å; T390-T392 PolarHBondContact O-N 3.15Å | ||
| 391 | A | 33.5 | Very low | 41.2 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | trans | -68.4 | 108.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V389 | V389-A391 PolarHBondContact O-N 3.02Š| ||
| 392 | T | 38.5 | Very low | 43.2 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -81.1 | 134.5 | 157 | 37.6 | 0 | 0 | 0 | 0 | 109 | T390 G394 T395 | T390-T392 PolarHBondContact O-N 3.15Å; T392-G394 PolarHBondContact O-N 3.36Å; T392-T395 PolarHBondContact O-OG1 3.39Å | ||
| 393 | P | 40.5 | Very low | 45.1 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 92% | 0.922 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 92.6 | -174.8 | 20 | -11.8 | 0 | 0 | 0 | 110.2 | ||
| 394 | G | 44.2 | Very low | 47 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.7 | 2.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T392 | T392-G394 PolarHBondContact O-N 3.36Š|
| 395 | T | 48.6 | Very low | 48.6 | Very low | 54 Ų | 54 | 112.9 Ų | 112.9 | 33% | 0.331 | 65% | 0.646 | S | S | . | * | trans | -126.6 | 24.9 | -153.2 | 21.3 | 0 | 0 | 0 | 0 | 116 | T392 N397 E398 E399 | T392-T395 PolarHBondContact O-OG1 3.39Å; T395-N397 VanDerWaalsContact C-N 3.28Å; T395-N397 PolarHBondContact O-N 2.86Å; T395-E398 HydrophobicContact CG2-CB 3.93Å; T395-E398 HydrophobicContact CG2-CG 4.04Å; T395-E398 WeakPolarHBondContact CG2-OE2 3.26Å; T395-E398 PolarHBondContact O-N 3.34Å; T395-E398 VanDerWaalsContact O-N 3.16Å; T395-E399 PolarHBondContact O-N 2.8Å | ||
| 396 | Q | 51.9 | Low | 50.5 | Low | 164 Ų | 164 | 112.2 Ų | 112.2 | 77% | 0.766 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -57.9 | -40.7 | 176 | -72.4 | -174.5 | -19.3 | 0 | 0 | 112.4 | E399 E400 | Q396-E399 PolarHBondContact O-N 3.44Å; Q396-E400 PolarHBondContact O-N 3.27Å |
| 397 | N | 53.6 | Low | 52.2 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.8 | -34.8 | 177.5 | -72.8 | -9.2 | 0 | 0 | 0 | 113 | T395 S401 | T395-N397 VanDerWaalsContact C-N 3.28Å; T395-N397 PolarHBondContact O-N 2.86Å; N397-S401 WeakPolarHBondContact O-CB 3.17Å; N397-S401 PolarHBondContact O-N 2.99Å |
| 398 | E | 55.4 | Low | 53.7 | Low | 130 Ų | 130 | 111.2 Ų | 111.2 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.9 | -39.5 | 177.7 | -73.3 | -169.4 | 170.7 | 0 | 0 | 111.3 | T395 S401 L402 | T395-E398 HydrophobicContact CG2-CB 3.93Å; T395-E398 HydrophobicContact CG2-CG 4.04Å; T395-E398 WeakPolarHBondContact CG2-OE2 3.26Å; T395-E398 PolarHBondContact O-N 3.34Å; T395-E398 VanDerWaalsContact O-N 3.16Å; E398-S401 PolarHBondContact O-N 2.91Å; E398-S401 PolarHBondContact O-OG 3.49Å; E398-L402 WeakPolarHBondContact O-CB 3.37Å; E398-L402 PolarHBondContact O-N 3.34Å |
| 399 | E | 60.2 | Low | 55.5 | Low | 133 Ų | 133 | 107.5 Ų | 107.5 | 62% | 0.621 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.3 | -42.9 | -177.6 | -152.6 | 172 | -155.8 | 0 | 0 | 112.1 | T395 Q396 S401 L402 L403 | T395-E399 PolarHBondContact O-N 2.8Å; Q396-E399 PolarHBondContact O-N 3.44Å; E399-S401 PolarHBondContact O-N 2.9Å; E399-L402 PolarHBondContact O-N 3.49Å; E399-L403 WeakPolarHBondContact O-CB 3.35Å; E399-L403 WeakPolarHBondContact O-CG 3.34Å; E399-L403 PolarHBondContact O-N 3.07Å |
| 400 | E | 62.3 | Low | 57 | Low | 141 Ų | 141 | 103.5 Ų | 103.5 | 66% | 0.659 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.5 | -42.3 | 172.2 | -75.3 | -168 | 166.7 | 0 | 0 | 112.1 | Q396 L402 L403 S404 | Q396-E400 PolarHBondContact O-N 3.27Å; E400-L402 VanDerWaalsContact C-N 3.28Å; E400-L402 PolarHBondContact O-N 3Å; E400-L403 PolarHBondContact O-N 3.2Å; E400-S404 VanDerWaalsContact O-CB 3.3Å; E400-S404 WeakPolarHBondContact O-CB 3.35Å; E400-S404 PolarHBondContact O-N 3.4Å |
| 401 | S | 62.8 | Low | 58.7 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -36.2 | 177.4 | 83.9 | 0 | 0 | 0 | 0 | 112.1 | N397 E398 E399 S405 | N397-S401 WeakPolarHBondContact O-CB 3.17Å; N397-S401 PolarHBondContact O-N 2.99Å; E398-S401 PolarHBondContact O-N 2.91Å; E398-S401 PolarHBondContact O-OG 3.49Å; E399-S401 PolarHBondContact O-N 2.9Å; S401-S405 WeakPolarHBondContact O-CB 3.36Å; S401-S405 PolarHBondContact O-N 2.7Å; S401-S405 PolarHBondContact O-OG 3.33Å |
| 402 | L | 71.1 | Confident | 60.1 | Low | 84 Ų | 84 | 98.6 Ų | 98.6 | 44% | 0.44 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -75.3 | -40.4 | 179.8 | -147.5 | 177.8 | 0 | 0 | 0 | 110.8 | E398 E399 E400 S405 R406 | E398-L402 WeakPolarHBondContact O-CB 3.37Å; E398-L402 PolarHBondContact O-N 3.34Å; E399-L402 PolarHBondContact O-N 3.49Å; E400-L402 VanDerWaalsContact C-N 3.28Å; E400-L402 PolarHBondContact O-N 3Å; L402-S405 PolarHBondContact O-N 3.27Å; L402-R406 HydrophobicContact CD2-CG 3.86Å; L402-R406 VanDerWaalsContact CD2-NE 3.3Å; L402-R406 WeakPolarHBondContact O-CB 3.35Å; L402-R406 VanDerWaalsContact O-CG 3.32Å; L402-R406 WeakPolarHBondContact O-CG 3.4Å; L402-R406 PolarHBondContact O-N 2.91Å |
| 403 | L | 70.7 | Confident | 61.4 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 173 | -74.8 | 171.4 | 0 | 0 | 0 | 111.8 | E399 E400 R406 S407 | E399-L403 WeakPolarHBondContact O-CB 3.35Å; E399-L403 WeakPolarHBondContact O-CG 3.34Å; E399-L403 PolarHBondContact O-N 3.07Å; E400-L403 PolarHBondContact O-N 3.2Å; L403-R406 PolarHBondContact O-N 3.1Å; L403-S407 WeakPolarHBondContact O-CB 3.4Å; L403-S407 PolarHBondContact O-N 2.85Å |
| 404 | S | 69.1 | Low | 62.8 | Low | 73 Ų | 73 | 99.7 Ų | 99.7 | 51% | 0.51 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | E400 R406 S407 Y408 | E400-S404 VanDerWaalsContact O-CB 3.3Å; E400-S404 WeakPolarHBondContact O-CB 3.35Å; E400-S404 PolarHBondContact O-N 3.4Å; S404-R406 PolarHBondContact O-N 3.41Å; S404-S407 PolarHBondContact O-N 2.66Å; S404-S407 PolarHBondContact O-OG 2.93Å; S404-Y408 VanDerWaalsContact O-CB 3.31Å; S404-Y408 WeakPolarHBondContact O-CB 3.43Å; S404-Y408 PolarHBondContact O-N 3.21Å |
| 405 | S | 66.3 | Low | 63.7 | Low | 64 Ų | 64 | 102.6 Ų | 102.6 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | S401 L402 L409 | S401-S405 WeakPolarHBondContact O-CB 3.36Å; S401-S405 PolarHBondContact O-N 2.7Å; S401-S405 PolarHBondContact O-OG 3.33Å; L402-S405 PolarHBondContact O-N 3.27Å; S405-L409 WeakPolarHBondContact O-CB 3.44Å; S405-L409 WeakPolarHBondContact O-CG 3.43Å; S405-L409 PolarHBondContact O-N 3.37Å |
| 406 | R | 70.5 | Confident | 64.5 | Low | 155 Ų | 155 | 103.2 Ų | 103.2 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -43.8 | 175.9 | -77.9 | 173.1 | 173.6 | 160.1 | 1 | 111.7 | L402 L403 S404 L409 S410 | L402-R406 HydrophobicContact CD2-CG 3.86Å; L402-R406 VanDerWaalsContact CD2-NE 3.3Å; L402-R406 WeakPolarHBondContact O-CB 3.35Å; L402-R406 VanDerWaalsContact O-CG 3.32Å; L402-R406 WeakPolarHBondContact O-CG 3.4Å; L402-R406 PolarHBondContact O-N 2.91Å; L403-R406 PolarHBondContact O-N 3.1Å; S404-R406 PolarHBondContact O-N 3.41Å; R406-L409 PolarHBondContact O-N 2.89Å; R406-S410 WeakPolarHBondContact O-CB 3.46Å; R406-S410 PolarHBondContact O-N 3.43Å |
| 407 | S | 66.8 | Low | 65.2 | Low | 68 Ų | 68 | 99.6 Ų | 99.6 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 179 | 79.3 | 0 | 0 | 0 | 0 | 110.6 | L403 S404 S410 E411 | L403-S407 WeakPolarHBondContact O-CB 3.4Å; L403-S407 PolarHBondContact O-N 2.85Å; S404-S407 PolarHBondContact O-N 2.66Å; S404-S407 PolarHBondContact O-OG 2.93Å; S407-S410 WeakPolarHBondContact O-CB 3.31Å; S407-S410 PolarHBondContact O-N 3.46Å; S407-S410 PolarHBondContact O-OG 3.49Å; S407-E411 PolarHBondContact O-N 3.18Å |
| 408 | Y | 63.3 | Low | 65.9 | Low | 135 Ų | 135 | 99.6 Ų | 99.6 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 175.6 | -178.9 | -104.2 | 0 | 0 | 0 | 112.7 | S404 S410 E411 I412 | S404-Y408 VanDerWaalsContact O-CB 3.31Å; S404-Y408 WeakPolarHBondContact O-CB 3.43Å; S404-Y408 PolarHBondContact O-N 3.21Å; Y408-S410 VanDerWaalsContact C-N 3.29Å; Y408-S410 PolarHBondContact O-N 2.92Å; Y408-E411 WeakPolarHBondContact O-CB 3.24Å; Y408-E411 PolarHBondContact O-N 3.02Å; Y408-E411 VanDerWaalsContact O-N 3.12Å; Y408-I412 HydrophobicContact CD1-CD1 3.76Å; Y408-I412 HydrophobicContact CE1-CD1 3.23Å; Y408-I412 HydrophobicContact CE1-CG1 4.26Å; Y408-I412 HydrophobicContact CE2-CD1 4.43Å; Y408-I412 PolarHBondContact O-N 3.06Å |
| 409 | L | 68.8 | Low | 66.4 | Low | 76 Ų | 76 | 97.3 Ų | 97.3 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 175.3 | -72.5 | 173.3 | 0 | 0 | 0 | 112 | T277 S405 R406 E411 I412 K413 | T277-L409 HydrophobicContact CG2-CD1 4.27Å; S405-L409 WeakPolarHBondContact O-CB 3.44Å; S405-L409 WeakPolarHBondContact O-CG 3.43Å; S405-L409 PolarHBondContact O-N 3.37Å; R406-L409 PolarHBondContact O-N 2.89Å; L409-E411 VanDerWaalsContact C-N 3.28Å; L409-E411 PolarHBondContact O-N 3.04Å; L409-I412 PolarHBondContact O-N 2.91Å; L409-K413 WeakPolarHBondContact O-CB 3.35Å; L409-K413 PolarHBondContact O-N 3.35Å |
| 410 | S | 67.6 | Low | 66.6 | Low | 48 Ų | 48 | 94.4 Ų | 94.4 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 175.4 | 90 | 0 | 0 | 0 | 0 | 111.4 | R406 S407 Y408 K413 K414 | R406-S410 WeakPolarHBondContact O-CB 3.46Å; R406-S410 PolarHBondContact O-N 3.43Å; S407-S410 WeakPolarHBondContact O-CB 3.31Å; S407-S410 PolarHBondContact O-N 3.46Å; S407-S410 PolarHBondContact O-OG 3.49Å; Y408-S410 VanDerWaalsContact C-N 3.29Å; Y408-S410 PolarHBondContact O-N 2.92Å; S410-K413 PolarHBondContact O-N 3.06Å; S410-K414 WeakPolarHBondContact O-CB 3.18Å; S410-K414 VanDerWaalsContact O-CG 3.26Å; S410-K414 WeakPolarHBondContact O-CG 3.38Å; S410-K414 PolarHBondContact O-N 3.39Å |
| 411 | E | 68 | Low | 66.9 | Low | 91 Ų | 91 | 94.4 Ų | 94.4 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 179 | -156.4 | -174.1 | 155.4 | 0 | 0 | 111.4 | S407 Y408 L409 K413 K414 R415 | S407-E411 PolarHBondContact O-N 3.18Å; Y408-E411 WeakPolarHBondContact O-CB 3.24Å; Y408-E411 PolarHBondContact O-N 3.02Å; Y408-E411 VanDerWaalsContact O-N 3.12Å; L409-E411 VanDerWaalsContact C-N 3.28Å; L409-E411 PolarHBondContact O-N 3.04Å; E411-K413 VanDerWaalsContact C-N 3.34Å; E411-K413 PolarHBondContact O-N 2.87Å; E411-K414 WeakPolarHBondContact O-CB 3.2Å; E411-K414 PolarHBondContact O-N 3.36Å; E411-R415 WeakPolarHBondContact O-CG 3.45Å; E411-R415 PolarHBondContact O-N 2.84Å; E411-R415 IonicContact OE1-CZ 3.49Å; E411-R415 IonicContact OE1-NE 3.51Å; E411-R415 IonicContact OE1-NH2 2.71Å; E411-R415 PolarHBondContact OE1-NH2 2.93Å |
| 412 | I | 62.9 | Low | 67.3 | Low | 23 Ų | 23 | 93.3 Ų | 93.3 | 12% | 0.118 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 171.4 | -70 | 174.1 | 0 | 0 | 0 | 110.5 | Y408 L409 K414 R415 V416 | Y408-I412 HydrophobicContact CD1-CD1 3.76Å; Y408-I412 HydrophobicContact CE1-CD1 3.23Å; Y408-I412 HydrophobicContact CE1-CG1 4.26Å; Y408-I412 HydrophobicContact CE2-CD1 4.43Å; Y408-I412 PolarHBondContact O-N 3.06Å; L409-I412 PolarHBondContact O-N 2.91Å; I412-K414 VanDerWaalsContact C-N 3.31Å; I412-K414 PolarHBondContact O-N 3.37Å; I412-R415 WeakPolarHBondContact O-CB 3.18Å; I412-R415 PolarHBondContact O-N 3.05Å; I412-R415 VanDerWaalsContact O-N 3.11Å; I412-V416 HydrophobicContact CG2-CG2 4.26Å; I412-V416 WeakPolarHBondContact O-CG2 3.31Å; I412-V416 PolarHBondContact O-N 3.1Å |
| 413 | K | 65.6 | Low | 67.4 | Low | 134 Ų | 134 | 95.8 Ų | 95.8 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 178.7 | -173.3 | 177.4 | -178.4 | 177.9 | 0 | 111.2 | L409 S410 E411 V416 Q417 | L409-K413 WeakPolarHBondContact O-CB 3.35Å; L409-K413 PolarHBondContact O-N 3.35Å; S410-K413 PolarHBondContact O-N 3.06Å; E411-K413 VanDerWaalsContact C-N 3.34Å; E411-K413 PolarHBondContact O-N 2.87Å; K413-V416 PolarHBondContact O-N 3.38Å; K413-Q417 WeakPolarHBondContact O-CB 3.09Å; K413-Q417 VanDerWaalsContact O-CG 3.23Å; K413-Q417 WeakPolarHBondContact O-CG 3.27Å; K413-Q417 PolarHBondContact O-N 2.95Å |
| 414 | K | 68.1 | Low | 67.5 | Low | 138 Ų | 138 | 95.9 Ų | 95.9 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 173.9 | -74.7 | 168.5 | -176.3 | 171.1 | 0 | 111.3 | S410 E411 I412 Q417 R418 | S410-K414 WeakPolarHBondContact O-CB 3.18Å; S410-K414 VanDerWaalsContact O-CG 3.26Å; S410-K414 WeakPolarHBondContact O-CG 3.38Å; S410-K414 PolarHBondContact O-N 3.39Å; E411-K414 WeakPolarHBondContact O-CB 3.2Å; E411-K414 PolarHBondContact O-N 3.36Å; I412-K414 VanDerWaalsContact C-N 3.31Å; I412-K414 PolarHBondContact O-N 3.37Å; K414-Q417 PolarHBondContact O-N 3.3Å; K414-R418 WeakPolarHBondContact O-CB 3.14Å; K414-R418 PolarHBondContact O-N 2.99Å |
| 415 | R | 65 | Low | 67.9 | Low | 137 Ų | 137 | 93.4 Ų | 93.4 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 176.6 | -69.8 | 176.8 | -170.7 | -170.2 | 3.8 | 111.5 | E411 I412 Q417 R418 F419 | E411-R415 WeakPolarHBondContact O-CG 3.45Å; E411-R415 PolarHBondContact O-N 2.84Å; E411-R415 IonicContact OE1-CZ 3.49Å; E411-R415 IonicContact OE1-NE 3.51Å; E411-R415 IonicContact OE1-NH2 2.71Å; E411-R415 PolarHBondContact OE1-NH2 2.93Å; I412-R415 WeakPolarHBondContact O-CB 3.18Å; I412-R415 PolarHBondContact O-N 3.05Å; I412-R415 VanDerWaalsContact O-N 3.11Å; R415-Q417 VanDerWaalsContact C-N 3.34Å; R415-Q417 PolarHBondContact O-N 3.11Å; R415-R418 WeakPolarHBondContact O-CB 3.26Å; R415-R418 PolarHBondContact O-N 3.28Å; R415-R418 VanDerWaalsContact O-N 3.14Å; R415-F419 WeakPolarHBondContact O-CD2 3.43Å; R415-F419 PolarHBondContact O-N 3.36Å |
| 416 | V | 64.9 | Low | 68.6 | Low | 67 Ų | 67 | 91 Ų | 91 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | I412 K413 F419 T420 | I412-V416 HydrophobicContact CG2-CG2 4.26Å; I412-V416 WeakPolarHBondContact O-CG2 3.31Å; I412-V416 PolarHBondContact O-N 3.1Å; K413-V416 PolarHBondContact O-N 3.38Å; V416-F419 PolarHBondContact O-N 2.65Å; V416-T420 WeakPolarHBondContact O-CB 3.47Å; V416-T420 PolarHBondContact O-N 3.03Å; V416-T420 PolarHBondContact O-OG1 3.38Å |
| 417 | Q | 66.1 | Low | 69.3 | Low | 89 Ų | 89 | 89.8 Ų | 89.8 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.5 | -76 | 179.1 | 4.8 | 0 | 0 | 112.3 | K413 K414 R415 T420 K421 | K413-Q417 WeakPolarHBondContact O-CB 3.09Å; K413-Q417 VanDerWaalsContact O-CG 3.23Å; K413-Q417 WeakPolarHBondContact O-CG 3.27Å; K413-Q417 PolarHBondContact O-N 2.95Å; K414-Q417 PolarHBondContact O-N 3.3Å; R415-Q417 VanDerWaalsContact C-N 3.34Å; R415-Q417 PolarHBondContact O-N 3.11Å; Q417-T420 PolarHBondContact O-N 3.47Å; Q417-K421 WeakPolarHBondContact O-CG 3.2Å; Q417-K421 PolarHBondContact O-N 3.32Å |
| 418 | R | 69.1 | Low | 70.2 | Confident | 138 Ų | 138 | 86.8 Ų | 86.8 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -50 | 174.7 | 180 | 178.6 | 172.1 | 179.3 | -1.2 | 110.9 | K414 R415 T420 K421 E422 | K414-R418 WeakPolarHBondContact O-CB 3.14Å; K414-R418 PolarHBondContact O-N 2.99Å; R415-R418 WeakPolarHBondContact O-CB 3.26Å; R415-R418 PolarHBondContact O-N 3.28Å; R415-R418 VanDerWaalsContact O-N 3.14Å; R418-T420 VanDerWaalsContact C-N 3.3Å; R418-T420 PolarHBondContact O-N 3.36Å; R418-K421 WeakPolarHBondContact O-CB 3.16Å; R418-K421 PolarHBondContact O-N 2.97Å; R418-K421 VanDerWaalsContact O-N 3.12Å; R418-E422 WeakPolarHBondContact CG-OE1 3.39Å; R418-E422 IonicContact CZ-OE1 2.76Å; R418-E422 IonicContact NE-OE1 2.72Å; R418-E422 PolarHBondContact NE-OE1 3.39Å; R418-E422 IonicContact NH2-OE1 3.42Å; R418-E422 WeakPolarHBondContact O-CG 3.44Å; R418-E422 PolarHBondContact O-N 3.37Å |
| 419 | F | 64.5 | Low | 71.4 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.8 | -42.7 | 174.7 | -80.1 | -67.6 | 0 | 0 | 0 | 112.7 | P154 R415 V416 K421 E422 R423 | P154-F419 HydrophobicContact CB-CE1 3.73Å; P154-F419 HydrophobicContact CB-CZ 3.93Å; P154-F419 HydrophobicContact CG-CE1 3.99Å; P154-F419 HydrophobicContact CG-CZ 4.1Å; R415-F419 WeakPolarHBondContact O-CD2 3.43Å; R415-F419 PolarHBondContact O-N 3.36Å; V416-F419 PolarHBondContact O-N 2.65Å; F419-K421 VanDerWaalsContact C-N 3.34Å; F419-K421 PolarHBondContact O-N 2.68Å; F419-E422 PolarHBondContact O-N 2.98Å; F419-R423 PolarHBondContact O-N 3.49Å |
| 420 | T | 64.5 | Low | 72.4 | Confident | 72 Ų | 72 | 78 Ų | 78 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | V416 Q417 R418 K424 | V416-T420 WeakPolarHBondContact O-CB 3.47Å; V416-T420 PolarHBondContact O-N 3.03Å; V416-T420 PolarHBondContact O-OG1 3.38Å; Q417-T420 PolarHBondContact O-N 3.47Å; R418-T420 VanDerWaalsContact C-N 3.3Å; R418-T420 PolarHBondContact O-N 3.36Å; T420-K424 PolarHBondContact O-N 2.99Å |
| 421 | K | 69.9 | Low | 73.6 | Confident | 140 Ų | 140 | 80 Ų | 80 | 61% | 0.609 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.5 | -45.4 | 175.1 | -73.3 | 174.8 | -177.2 | -178.8 | 0 | 111.2 | Q417 R418 F419 R423 K424 A425 | Q417-K421 WeakPolarHBondContact O-CG 3.2Å; Q417-K421 PolarHBondContact O-N 3.32Å; R418-K421 WeakPolarHBondContact O-CB 3.16Å; R418-K421 PolarHBondContact O-N 2.97Å; R418-K421 VanDerWaalsContact O-N 3.12Å; F419-K421 VanDerWaalsContact C-N 3.34Å; F419-K421 PolarHBondContact O-N 2.68Å; K421-R423 VanDerWaalsContact C-N 3.31Å; K421-R423 PolarHBondContact O-N 2.88Å; K421-K424 PolarHBondContact O-N 3.3Å; K421-K424 VanDerWaalsContact O-N 3.1Å; K421-A425 PolarHBondContact O-N 2.88Å |
| 422 | E | 71.2 | Confident | 74.8 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 177.9 | -73.6 | 174.7 | -172 | 0 | 0 | 111.5 | R418 F419 K424 A425 A426 | R418-E422 WeakPolarHBondContact CG-OE1 3.39Å; R418-E422 IonicContact CZ-OE1 2.76Å; R418-E422 IonicContact NE-OE1 2.72Å; R418-E422 PolarHBondContact NE-OE1 3.39Å; R418-E422 IonicContact NH2-OE1 3.42Å; R418-E422 WeakPolarHBondContact O-CG 3.44Å; R418-E422 PolarHBondContact O-N 3.37Å; F419-E422 PolarHBondContact O-N 2.98Å; E422-K424 PolarHBondContact O-N 2.99Å; E422-A425 PolarHBondContact O-N 2.88Å; E422-A426 PolarHBondContact O-N 3.28Å |
| 423 | R | 72.1 | Confident | 76.2 | Confident | 135 Ų | 135 | 75 Ų | 75 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 173.1 | -175 | 178.2 | -179.9 | -169 | -0.7 | 113 | F419 K421 A426 K427 | F419-R423 PolarHBondContact O-N 3.49Å; K421-R423 VanDerWaalsContact C-N 3.31Å; K421-R423 PolarHBondContact O-N 2.88Å; R423-A426 PolarHBondContact O-N 3.32Å; R423-K427 WeakPolarHBondContact O-CG 3.38Å; R423-K427 PolarHBondContact O-N 3.32Å; R423-K427 VanDerWaalsContact O-N 3.09Å |
| 424 | K | 74.2 | Confident | 77.6 | Confident | 102 Ų | 102 | 70.1 Ų | 70.1 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 177.5 | -72.9 | 178.7 | 179.8 | 179.6 | 0 | 111.7 | T420 K421 E422 K427 T428 | T420-K424 PolarHBondContact O-N 2.99Å; K421-K424 PolarHBondContact O-N 3.3Å; K421-K424 VanDerWaalsContact O-N 3.1Å; E422-K424 PolarHBondContact O-N 2.99Å; K424-K427 PolarHBondContact O-N 2.9Å; K424-T428 PolarHBondContact O-N 3.03Å; K424-T428 VanDerWaalsContact O-N 3.1Å; K424-T428 PolarHBondContact O-OG1 3.4Å |
| 425 | A | 76.3 | Confident | 79 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K421 E422 K427 T428 L429 L487 | K421-A425 PolarHBondContact O-N 2.88Å; E422-A425 PolarHBondContact O-N 2.88Å; A425-K427 VanDerWaalsContact C-N 3.32Å; A425-K427 PolarHBondContact O-N 2.83Å; A425-T428 WeakPolarHBondContact O-CB 3.28Å; A425-T428 PolarHBondContact O-N 2.92Å; A425-L429 WeakPolarHBondContact O-CG 3.39Å; A425-L429 PolarHBondContact O-N 3.08Å; A425-L487 HydrophobicContact CB-CD2 4.43Å |
| 426 | A | 81.4 | Confident | 80.5 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I151 E422 R423 T428 L429 G430 | I151-A426 HydrophobicContact CD1-CB 4.02Å; E422-A426 PolarHBondContact O-N 3.28Å; R423-A426 PolarHBondContact O-N 3.32Å; A426-T428 VanDerWaalsContact C-N 3.34Å; A426-T428 PolarHBondContact O-N 3.48Å; A426-L429 PolarHBondContact O-N 2.93Å; A426-G430 PolarHBondContact O-N 2.7Å |
| 427 | K | 84.2 | Confident | 82 | Confident | 128 Ų | 128 | 56.9 Ų | 56.9 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 173 | -74.2 | -173.3 | 175.7 | -163.1 | 0 | 112.4 | R423 K424 A425 G430 I431 | R423-K427 WeakPolarHBondContact O-CG 3.38Å; R423-K427 PolarHBondContact O-N 3.32Å; R423-K427 VanDerWaalsContact O-N 3.09Å; K424-K427 PolarHBondContact O-N 2.9Å; A425-K427 VanDerWaalsContact C-N 3.32Å; A425-K427 PolarHBondContact O-N 2.83Å; K427-G430 PolarHBondContact O-N 3.26Å; K427-I431 WeakPolarHBondContact O-CG1 3.34Å; K427-I431 PolarHBondContact O-N 3.46Å |
| 428 | T | 87.2 | Confident | 83.5 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 178.7 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | K424 A425 A426 G430 I431 V432 I482 S486 L487 | K424-T428 PolarHBondContact O-N 3.03Å; K424-T428 VanDerWaalsContact O-N 3.1Å; K424-T428 PolarHBondContact O-OG1 3.4Å; A425-T428 WeakPolarHBondContact O-CB 3.28Å; A425-T428 PolarHBondContact O-N 2.92Å; A426-T428 VanDerWaalsContact C-N 3.34Å; A426-T428 PolarHBondContact O-N 3.48Å; T428-G430 VanDerWaalsContact C-N 3.29Å; T428-G430 PolarHBondContact O-N 2.7Å; T428-I431 WeakPolarHBondContact O-CA 3.28Å; T428-I431 WeakPolarHBondContact O-CB 3.39Å; T428-I431 PolarHBondContact O-N 2.93Å; T428-V432 WeakPolarHBondContact O-CG2 3.45Å; T428-V432 PolarHBondContact O-N 3.38Å; T428-I482 HydrophobicContact CG2-CG2 3.91Å; T428-S486 WeakPolarHBondContact OG1-CB 3.27Å; T428-L487 HydrophobicContact CG2-CD2 4.08Å; T428-L487 HydrophobicContact CG2-CG 4.02Å |
| 429 | L | 87.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -33.9 | -178.8 | -61.4 | 162.4 | 0 | 0 | 0 | 111.2 | T69 I73 I143 R147 A425 A426 I431 V432 M433 | T69-L429 HydrophobicContact CG2-CD1 3.71Å; T69-L429 HydrophobicContact CG2-CD2 4.39Å; I73-L429 HydrophobicContact CD1-CD2 4.17Å; I73-L429 HydrophobicContact CG1-CD2 4.29Å; I143-L429 HydrophobicContact CG2-CB 4.06Å; I143-L429 HydrophobicContact CG2-CD1 3.79Å; I143-L429 HydrophobicContact CG2-CD2 3.94Å; I143-L429 HydrophobicContact CG2-CG 4.12Å; R147-L429 HydrophobicContact CG-CD1 3.68Å; A425-L429 WeakPolarHBondContact O-CG 3.39Å; A425-L429 PolarHBondContact O-N 3.08Å; A426-L429 PolarHBondContact O-N 2.93Å; L429-I431 VanDerWaalsContact C-N 3.31Å; L429-I431 PolarHBondContact O-N 3.04Å; L429-V432 PolarHBondContact O-N 3.47Å; L429-M433 HydrophobicContact CB-CE 4.46Å; L429-M433 VanDerWaalsContact O-CG 3.26Å; L429-M433 WeakPolarHBondContact O-CG 3.36Å; L429-M433 PolarHBondContact O-N 3.19Å |
| 430 | G | 89.9 | Confident | 86.4 | Confident | 25 Ų | 25 | 49 Ų | 49 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -35.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y236 A426 K427 T428 G434 | Y236-G430 PolarHBondContact OH-N 2.89Å; A426-G430 PolarHBondContact O-N 2.7Å; K427-G430 PolarHBondContact O-N 3.26Å; T428-G430 VanDerWaalsContact C-N 3.29Å; T428-G430 PolarHBondContact O-N 2.7Å; G430-G434 PolarHBondContact O-N 3.47Å |
| 431 | I | 92.5 | Very high | 88 | Confident | 88 Ų | 88 | 48.5 Ų | 48.5 | 45% | 0.451 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.1 | -48.3 | 173.2 | -65.6 | 164.2 | 0 | 0 | 0 | 110.4 | K427 T428 L429 M433 G434 V435 I482 | K427-I431 WeakPolarHBondContact O-CG1 3.34Å; K427-I431 PolarHBondContact O-N 3.46Å; T428-I431 WeakPolarHBondContact O-CA 3.28Å; T428-I431 WeakPolarHBondContact O-CB 3.39Å; T428-I431 PolarHBondContact O-N 2.93Å; L429-I431 VanDerWaalsContact C-N 3.31Å; L429-I431 PolarHBondContact O-N 3.04Å; I431-M433 PolarHBondContact O-N 3.32Å; I431-G434 PolarHBondContact O-N 2.97Å; I431-G434 VanDerWaalsContact O-N 3.13Å; I431-V435 HydrophobicContact CG2-CG2 4.29Å; I431-V435 WeakPolarHBondContact O-CG2 3.36Å; I431-V435 PolarHBondContact O-N 2.69Å; I431-I482 HydrophobicContact CG2-CD1 4.36Å; I431-I482 HydrophobicContact CG2-CG2 4.28Å |
| 432 | V | 93.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.8 | -44.5 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | L76 L140 T428 L429 V435 F436 I482 Y483 | L76-V432 HydrophobicContact CD2-CG1 4.05Å; L140-V432 HydrophobicContact CD2-CG1 3.75Å; T428-V432 WeakPolarHBondContact O-CG2 3.45Å; T428-V432 PolarHBondContact O-N 3.38Å; L429-V432 PolarHBondContact O-N 3.47Å; V432-V435 PolarHBondContact O-N 3.49Å; V432-F436 PolarHBondContact O-N 2.61Å; V432-I482 HydrophobicContact CG2-CB 4.29Å; V432-I482 HydrophobicContact CG2-CD1 4.13Å; V432-I482 HydrophobicContact CG2-CG2 3.65Å; V432-Y483 HydrophobicContact CG2-CE1 3.79Å |
| 433 | M | 92.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 177.6 | -68.4 | 178 | -159.8 | 0 | 0 | 113.1 | L140 I143 M232 Y236 L429 I431 V435 F436 V437 | L140-M433 HydrophobicContact CB-CE 4.25Å; L140-M433 HydrophobicContact CB-CG 4.02Å; L140-M433 HydrophobicContact CB-SD 4.47Å; L140-M433 HydrophobicContact CD1-CG 4.19Å; L140-M433 HydrophobicContact CD2-CE 4.2Å; L140-M433 HydrophobicContact CD2-CG 3.7Å; L140-M433 HydrophobicContact CG-CG 4.17Å; L140-M433 WeakPolarHBondContact O-CE 3.1Å; I143-M433 HydrophobicContact CB-CE 3.8Å; I143-M433 HydrophobicContact CG2-CE 3.49Å; I143-M433 VanDerWaalsContact CG2-CE 3.49Å; M232-M433 HydrophobicContact CE-CB 4.47Å; M232-M433 HydrophobicContact CG-SD 4.04Å; M232-M433 HydrophobicContact SD-CB 3.97Å; M232-M433 HydrophobicContact SD-CG 3.8Å; M232-M433 HydrophobicContact SD-SD 3.77Å; Y236-M433 HydrophobicContact CD2-SD 3.74Å; Y236-M433 HydrophobicContact CE1-SD 4.19Å; Y236-M433 HydrophobicContact CE2-CE 3.54Å; Y236-M433 HydrophobicContact CE2-SD 2.94Å; Y236-M433 WeakPolarHBondContact CE2-SD 3.13Å; Y236-M433 WeakPolarHBondContact OH-CE 3.47Å; Y236-M433 PolarHBondContact OH-SD 3.22Å; L429-M433 HydrophobicContact CB-CE 4.46Å; L429-M433 VanDerWaalsContact O-CG 3.26Å; L429-M433 WeakPolarHBondContact O-CG 3.36Å; L429-M433 PolarHBondContact O-N 3.19Å; I431-M433 PolarHBondContact O-N 3.32Å; M433-V435 VanDerWaalsContact C-N 3.31Å; M433-V435 PolarHBondContact O-N 2.87Å; M433-F436 PolarHBondContact O-N 3.04Å; M433-V437 WeakPolarHBondContact O-CG2 3.5Å; M433-V437 PolarHBondContact O-N 3.38Å |
| 434 | G | 94.3 | Very high | 91.5 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | G430 I431 V437 L438 | G430-G434 PolarHBondContact O-N 3.47Å; I431-G434 PolarHBondContact O-N 2.97Å; I431-G434 VanDerWaalsContact O-N 3.13Å; G434-V437 PolarHBondContact O-N 3.18Å; G434-L438 WeakPolarHBondContact O-CB 3.22Å; G434-L438 WeakPolarHBondContact O-CG 3.32Å; G434-L438 PolarHBondContact O-N 3.48Å |
| 435 | V | 97 | Very high | 92.5 | Very high | 34 Ų | 34 | 34.8 Ų | 34.8 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 111 | I431 V432 M433 V437 L438 C439 V478 I482 | I431-V435 HydrophobicContact CG2-CG2 4.29Å; I431-V435 WeakPolarHBondContact O-CG2 3.36Å; I431-V435 PolarHBondContact O-N 2.69Å; V432-V435 PolarHBondContact O-N 3.49Å; M433-V435 VanDerWaalsContact C-N 3.31Å; M433-V435 PolarHBondContact O-N 2.87Å; V435-V437 VanDerWaalsContact C-N 3.34Å; V435-V437 PolarHBondContact O-N 2.98Å; V435-L438 PolarHBondContact O-N 3.25Å; V435-C439 WeakPolarHBondContact O-CB 3.26Å; V435-C439 PolarHBondContact O-N 3.41Å; V435-C439 PolarHBondContact O-SG 3Å; V435-V478 HydrophobicContact CG1-CG1 4.11Å; V435-I482 HydrophobicContact CB-CD1 4.33Å; V435-I482 HydrophobicContact CG2-CD1 4.06Å |
| 436 | F | 96.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.4 | -49.3 | 175.6 | -177.3 | -85.5 | 0 | 0 | 0 | 111.9 | S136 I137 L140 F225 V432 M433 C439 W440 N475 | S136-F436 VanDerWaalsContact CB-CE2 3.47Å; I137-F436 HydrophobicContact CB-CD1 4.41Å; I137-F436 HydrophobicContact CB-CE1 3.54Å; I137-F436 HydrophobicContact CB-CZ 3.63Å; I137-F436 HydrophobicContact CD1-CD1 4.45Å; I137-F436 HydrophobicContact CD1-CE1 3.79Å; I137-F436 HydrophobicContact CG1-CD1 4.4Å; I137-F436 HydrophobicContact CG1-CE1 3.82Å; I137-F436 HydrophobicContact CG1-CZ 4.42Å; L140-F436 HydrophobicContact CD1-CB 3.48Å; L140-F436 VanDerWaalsContact CD1-CB 3.48Å; L140-F436 HydrophobicContact CD1-CD1 3.92Å; L140-F436 HydrophobicContact CD1-CD2 3.74Å; L140-F436 HydrophobicContact CD1-CG 3.4Å; L140-F436 VanDerWaalsContact CD1-CG 3.4Å; F225-F436 HydrophobicContact CD2-CE1 4.06Å; F225-F436 HydrophobicContact CE2-CD1 4.35Å; F225-F436 AromaticContact CE2-CE1 3.72Å; F225-F436 HydrophobicContact CE2-CE1 3.72Å; V432-F436 PolarHBondContact O-N 2.61Å; M433-F436 PolarHBondContact O-N 3.04Å; F436-C439 PolarHBondContact O-N 3Å; F436-W440 AromaticContact CD2-CD1 3.72Å; F436-W440 HydrophobicContact CE1-CB 4.22Å; F436-W440 HydrophobicContact CE1-CG 4.28Å; F436-W440 AromaticContact CE2-CD1 3.37Å; F436-W440 HydrophobicContact CE2-CG 4.19Å; F436-W440 AromaticContact CE2-NE1 3.64Å; F436-W440 HydrophobicContact CZ-CB 4.35Å; F436-W440 AromaticContact CZ-CD1 3.56Å; F436-W440 AromaticContact CZ-CG 3.94Å; F436-W440 HydrophobicContact CZ-CG 3.94Å; F436-W440 WeakPolarHBondContact O-CB 3.47Å; F436-W440 PolarHBondContact O-N 3Å; F436-N475 WeakPolarHBondContact CA-OD1 2.98Å; F436-N475 WeakPolarHBondContact CD2-ND2 3.41Å; F436-N475 PolarHBondContact N-OD1 3.46Å |
| 437 | V | 96.6 | Very high | 93.8 | Very high | 28 Ų | 28 | 33.8 Ų | 33.8 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | L229 M232 M433 G434 V435 C439 W440 L441 | L229-V437 HydrophobicContact CD1-CB 4.38Å; L229-V437 HydrophobicContact CD1-CG1 3.99Å; L229-V437 HydrophobicContact CD1-CG2 3.41Å; L229-V437 VanDerWaalsContact CD1-CG2 3.41Å; M232-V437 HydrophobicContact CE-CG2 3.4Å; M433-V437 WeakPolarHBondContact O-CG2 3.5Å; M433-V437 PolarHBondContact O-N 3.38Å; G434-V437 PolarHBondContact O-N 3.18Å; V435-V437 VanDerWaalsContact C-N 3.34Å; V435-V437 PolarHBondContact O-N 2.98Å; V437-C439 VanDerWaalsContact C-N 3.28Å; V437-C439 PolarHBondContact O-N 2.92Å; V437-W440 PolarHBondContact O-N 3.47Å; V437-L441 HydrophobicContact CG1-CB 4.29Å; V437-L441 HydrophobicContact CG1-CD2 4.36Å; V437-L441 WeakPolarHBondContact O-CB 3.37Å; V437-L441 PolarHBondContact O-N 3.43Å |
| 438 | L | 97.4 | Very high | 94.3 | Very high | 129 Ų | 129 | 28.7 Ų | 28.7 | 68% | 0.675 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -61.7 | -36.5 | -179.3 | -72.5 | 169.3 | 0 | 0 | 0 | 112.6 | G434 V435 P442 | G434-L438 WeakPolarHBondContact O-CB 3.22Å; G434-L438 WeakPolarHBondContact O-CG 3.32Å; G434-L438 PolarHBondContact O-N 3.48Å; V435-L438 PolarHBondContact O-N 3.25Å; L438-P442 WeakPolarHBondContact O-CD 3.43Å |
| 439 | C | 97.8 | Very high | 94.5 | Very high | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.095 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.9 | -40.7 | -180 | -75 | 0 | 0 | 0 | 0 | 113.3 | V435 F436 V437 L471 G472 N475 | V435-C439 WeakPolarHBondContact O-CB 3.26Å; V435-C439 PolarHBondContact O-N 3.41Å; V435-C439 PolarHBondContact O-SG 3Å; F436-C439 PolarHBondContact O-N 3Å; V437-C439 VanDerWaalsContact C-N 3.28Å; V437-C439 PolarHBondContact O-N 2.92Å; C439-L471 WeakPolarHBondContact CB-O 3.23Å; C439-G472 WeakPolarHBondContact O-CA 3.26Å; C439-G472 PolarHBondContact O-N 3.3Å; C439-N475 HydrophobicContact CB-CB 3.69Å |
| 440 | W | 97.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -94.4 | -27.1 | -173.6 | -80.8 | 100 | 0 | 0 | 0 | 114.7 | F225 F436 V437 P442 F443 F444 G472 Y473 | F225-W440 HydrophobicContact CD2-CB 4.32Å; F225-W440 HydrophobicContact CE2-CB 3.67Å; F225-W440 HydrophobicContact CZ-CB 4.31Å; F436-W440 AromaticContact CD2-CD1 3.72Å; F436-W440 HydrophobicContact CE1-CB 4.22Å; F436-W440 HydrophobicContact CE1-CG 4.28Å; F436-W440 AromaticContact CE2-CD1 3.37Å; F436-W440 HydrophobicContact CE2-CG 4.19Å; F436-W440 AromaticContact CE2-NE1 3.64Å; F436-W440 HydrophobicContact CZ-CB 4.35Å; F436-W440 AromaticContact CZ-CD1 3.56Å; F436-W440 AromaticContact CZ-CG 3.94Å; F436-W440 HydrophobicContact CZ-CG 3.94Å; F436-W440 WeakPolarHBondContact O-CB 3.47Å; F436-W440 PolarHBondContact O-N 3Å; V437-W440 PolarHBondContact O-N 3.47Å; W440-P442 VanDerWaalsContact C-CD 3.46Å; W440-P442 VanDerWaalsContact C-N 3.33Å; W440-F443 HydrophobicContact CE3-CB 4.37Å; W440-F443 AromaticContact CE3-CD1 3.94Å; W440-F443 HydrophobicContact CE3-CD1 3.94Å; W440-F443 HydrophobicContact CE3-CG 4.34Å; W440-F443 AromaticContact CZ3-CD1 3.88Å; W440-F443 HydrophobicContact CZ3-CD1 3.88Å; W440-F443 HydrophobicContact CZ3-CE1 4.17Å; W440-F443 HydrophobicContact CZ3-CG 4.31Å; W440-F443 PolarHBondContact O-N 2.81Å; W440-F443 VanDerWaalsContact O-N 3.15Å; W440-F444 HydrophobicContact CB-CD2 4.13Å; W440-F444 HydrophobicContact CB-CE2 4.05Å; W440-F444 HydrophobicContact CD2-CE2 4.12Å; W440-F444 HydrophobicContact CE3-CD2 4.23Å; W440-F444 AromaticContact CE3-CE2 3.5Å; W440-F444 HydrophobicContact CE3-CE2 3.5Å; W440-F444 VanDerWaalsContact CE3-CE2 3.5Å; W440-F444 HydrophobicContact CE3-CZ 4.14Å; W440-F444 HydrophobicContact CG-CE2 4.38Å; W440-F444 HydrophobicContact CZ3-CE2 4.27Å; W440-F444 VanDerWaalsContact O-CD2 3.26Å; W440-F444 WeakPolarHBondContact O-CD2 3.48Å; W440-F444 PolarHBondContact O-N 3.46Å; W440-G472 PolarHBondContact NE1-O 3.45Å; W440-Y473 HydrophobicContact CH2-CD1 4.06Å; W440-Y473 HydrophobicContact CH2-CE1 4.01Å; W440-Y473 HydrophobicContact CZ2-CD1 4.23Å |
| 441 | L | 97.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 32.1 Ų | 32.1 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -54.4 | -42.4 | -179.5 | -179.7 | 67.5 | 0 | 0 | 0 | 112.9 | F225 L229 V437 F443 F444 V445 | F225-L441 HydrophobicContact CE1-CB 4.3Å; F225-L441 HydrophobicContact CE1-CD1 3.7Å; F225-L441 HydrophobicContact CZ-CB 4.02Å; F225-L441 HydrophobicContact CZ-CD1 4.22Å; L229-L441 HydrophobicContact CD2-CD1 4.21Å; V437-L441 HydrophobicContact CG1-CB 4.29Å; V437-L441 HydrophobicContact CG1-CD2 4.36Å; V437-L441 WeakPolarHBondContact O-CB 3.37Å; V437-L441 PolarHBondContact O-N 3.43Å; L441-F443 VanDerWaalsContact C-N 3.35Å; L441-F443 PolarHBondContact O-N 3.3Å; L441-F444 PolarHBondContact O-N 3.17Å; L441-V445 HydrophobicContact CD1-CG2 3.73Å; L441-V445 HydrophobicContact CG-CG2 3.99Å; L441-V445 WeakPolarHBondContact O-CB 3.39Å; L441-V445 VanDerWaalsContact O-CG2 3.24Å; L441-V445 WeakPolarHBondContact O-CG2 3.24Å; L441-V445 PolarHBondContact O-N 3.41Å |
| 442 | P | 97 | Very high | 94.7 | Very high | 47 Ų | 47 | 32 Ų | 32 | 31% | 0.305 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 177.9 | -27.2 | 38.6 | 0 | 0 | 0 | 113.7 | L438 W440 Y446 V468 L471 | L438-P442 WeakPolarHBondContact O-CD 3.43Å; W440-P442 VanDerWaalsContact C-CD 3.46Å; W440-P442 VanDerWaalsContact C-N 3.33Å; P442-Y446 VanDerWaalsContact O-CB 3.28Å; P442-Y446 WeakPolarHBondContact O-CB 3.23Å; P442-Y446 PolarHBondContact O-N 3.43Å; P442-V468 HydrophobicContact CB-CB 4.31Å; P442-V468 HydrophobicContact CB-CG1 4.02Å; P442-L471 HydrophobicContact CB-CD2 4.37Å; P442-L471 HydrophobicContact CG-CD2 3.88Å |
| 443 | F | 95 | Very high | 94.4 | Very high | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | 177.4 | 172.4 | -96.5 | 0 | 0 | 0 | 111.8 | W440 L441 Y446 N447 F465 V468 | W440-F443 HydrophobicContact CE3-CB 4.37Å; W440-F443 AromaticContact CE3-CD1 3.94Å; W440-F443 HydrophobicContact CE3-CD1 3.94Å; W440-F443 HydrophobicContact CE3-CG 4.34Å; W440-F443 AromaticContact CZ3-CD1 3.88Å; W440-F443 HydrophobicContact CZ3-CD1 3.88Å; W440-F443 HydrophobicContact CZ3-CE1 4.17Å; W440-F443 HydrophobicContact CZ3-CG 4.31Å; W440-F443 PolarHBondContact O-N 2.81Å; W440-F443 VanDerWaalsContact O-N 3.15Å; L441-F443 VanDerWaalsContact C-N 3.35Å; L441-F443 PolarHBondContact O-N 3.3Å; F443-Y446 WeakPolarHBondContact O-CB 3.48Å; F443-Y446 PolarHBondContact O-N 2.9Å; F443-N447 WeakPolarHBondContact CE1-ND2 3.31Å; F443-N447 WeakPolarHBondContact CE2-ND2 3.38Å; F443-N447 WeakPolarHBondContact CZ-ND2 3.39Å; F443-N447 PolarHBondContact O-N 3.49Å; F443-N447 PolarHBondContact O-ND2 3.3Å; F443-F465 AromaticContact CE2-CE2 3.94Å; F443-F465 HydrophobicContact CE2-CE2 3.94Å; F443-F465 HydrophobicContact CE2-CZ 4.49Å; F443-V468 HydrophobicContact CB-CB 4.37Å; F443-V468 HydrophobicContact CB-CG2 4.32Å; F443-V468 HydrophobicContact CD2-CG2 4.2Å |
| 444 | F | 95.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.7 | -32.7 | -179.1 | -71.5 | -71.8 | 0 | 0 | 0 | 113 | S224 F225 W440 L441 T448 | S224-F444 VanDerWaalsContact OG-CE1 3.26Å; S224-F444 WeakPolarHBondContact OG-CE1 3.42Å; F225-F444 HydrophobicContact CB-CB 4.25Å; F225-F444 HydrophobicContact CB-CD1 3.59Å; F225-F444 HydrophobicContact CB-CD2 3.49Å; F225-F444 VanDerWaalsContact CB-CD2 3.49Å; F225-F444 HydrophobicContact CB-CE1 3.69Å; F225-F444 HydrophobicContact CB-CE2 3.6Å; F225-F444 HydrophobicContact CB-CG 3.49Å; F225-F444 VanDerWaalsContact CB-CG 3.49Å; F225-F444 HydrophobicContact CB-CZ 3.7Å; F225-F444 HydrophobicContact CD1-CB 3.58Å; F225-F444 AromaticContact CD1-CD2 3.58Å; F225-F444 HydrophobicContact CD1-CD2 3.58Å; F225-F444 HydrophobicContact CD1-CE2 4.41Å; F225-F444 AromaticContact CD1-CG 3.64Å; F225-F444 HydrophobicContact CD1-CG 3.64Å; F225-F444 AromaticContact CD2-CD2 3.27Å; F225-F444 HydrophobicContact CD2-CD2 3.27Å; F225-F444 AromaticContact CD2-CE2 3.36Å; F225-F444 HydrophobicContact CD2-CE2 3.36Å; F225-F444 HydrophobicContact CD2-CG 4.11Å; F225-F444 HydrophobicContact CD2-CZ 4.25Å; F225-F444 HydrophobicContact CE1-CB 4.08Å; F225-F444 HydrophobicContact CE1-CD2 4.06Å; F225-F444 HydrophobicContact CE1-CG 4.36Å; F225-F444 AromaticContact CE2-CD2 3.79Å; F225-F444 HydrophobicContact CE2-CD2 3.79Å; F225-F444 HydrophobicContact CE2-CE2 4.09Å; F225-F444 HydrophobicContact CG-CB 4Å; F225-F444 HydrophobicContact CG-CD1 4.13Å; F225-F444 AromaticContact CG-CD2 3.15Å; F225-F444 HydrophobicContact CG-CD2 3.15Å; F225-F444 HydrophobicContact CG-CE1 4.44Å; F225-F444 AromaticContact CG-CE2 3.55Å; F225-F444 HydrophobicContact CG-CE2 3.55Å; F225-F444 AromaticContact CG-CG 3.48Å; F225-F444 HydrophobicContact CG-CG 3.48Å; F225-F444 VanDerWaalsContact CG-CG 3.48Å; F225-F444 HydrophobicContact CG-CZ 4.19Å; F225-F444 HydrophobicContact CZ-CD2 4.16Å; W440-F444 HydrophobicContact CB-CD2 4.13Å; W440-F444 HydrophobicContact CB-CE2 4.05Å; W440-F444 HydrophobicContact CD2-CE2 4.12Å; W440-F444 HydrophobicContact CE3-CD2 4.23Å; W440-F444 AromaticContact CE3-CE2 3.5Å; W440-F444 HydrophobicContact CE3-CE2 3.5Å; W440-F444 VanDerWaalsContact CE3-CE2 3.5Å; W440-F444 HydrophobicContact CE3-CZ 4.14Å; W440-F444 HydrophobicContact CG-CE2 4.38Å; W440-F444 HydrophobicContact CZ3-CE2 4.27Å; W440-F444 VanDerWaalsContact O-CD2 3.26Å; W440-F444 WeakPolarHBondContact O-CD2 3.48Å; W440-F444 PolarHBondContact O-N 3.46Å; L441-F444 PolarHBondContact O-N 3.17Å; F444-T448 WeakPolarHBondContact O-CB 3.31Å; F444-T448 PolarHBondContact O-N 2.82Å; F444-T448 PolarHBondContact O-OG1 2.83Å |
| 445 | V | 95.1 | Very high | 93.3 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 170.1 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | L441 N447 T448 M449 | L441-V445 HydrophobicContact CD1-CG2 3.73Å; L441-V445 HydrophobicContact CG-CG2 3.99Å; L441-V445 WeakPolarHBondContact O-CB 3.39Å; L441-V445 VanDerWaalsContact O-CG2 3.24Å; L441-V445 WeakPolarHBondContact O-CG2 3.24Å; L441-V445 PolarHBondContact O-N 3.41Å; V445-N447 PolarHBondContact O-N 3.2Å; V445-T448 PolarHBondContact O-N 3.37Å; V445-M449 HydrophobicContact CG1-CG 4.11Å; V445-M449 WeakPolarHBondContact O-CB 3.13Å; V445-M449 VanDerWaalsContact O-CG 3.23Å; V445-M449 WeakPolarHBondContact O-CG 3.2Å; V445-M449 PolarHBondContact O-N 3.07Å |
| 446 | Y | 93.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.9 | -50.2 | 175.5 | 170.3 | -91 | 0 | 0 | 0 | 111.6 | P442 F443 T448 M449 K450 L457 E461 I464 F465 V468 | P442-Y446 VanDerWaalsContact O-CB 3.28Å; P442-Y446 WeakPolarHBondContact O-CB 3.23Å; P442-Y446 PolarHBondContact O-N 3.43Å; F443-Y446 WeakPolarHBondContact O-CB 3.48Å; F443-Y446 PolarHBondContact O-N 2.9Å; Y446-T448 VanDerWaalsContact C-N 3.33Å; Y446-T448 PolarHBondContact O-N 3Å; Y446-M449 PolarHBondContact O-N 3.18Å; Y446-K450 HydrophobicContact CE1-CD 4.09Å; Y446-K450 WeakPolarHBondContact O-CB 3.36Å; Y446-K450 PolarHBondContact O-N 3.42Å; Y446-L457 HydrophobicContact CD2-CD1 3.92Å; Y446-L457 HydrophobicContact CE2-CB 4.33Å; Y446-L457 HydrophobicContact CE2-CD1 3.9Å; Y446-L457 HydrophobicContact CE2-CG 4.49Å; Y446-E461 WeakPolarHBondContact OH-CG 3.41Å; Y446-I464 HydrophobicContact CD2-CG2 3.59Å; Y446-I464 HydrophobicContact CE2-CB 4.39Å; Y446-I464 HydrophobicContact CE2-CG2 3.79Å; Y446-F465 HydrophobicContact CD1-CD2 4.17Å; Y446-F465 HydrophobicContact CE1-CB 4.35Å; Y446-F465 AromaticContact CE1-CD2 3.63Å; Y446-F465 HydrophobicContact CE1-CD2 3.63Å; Y446-F465 HydrophobicContact CE1-CE2 4.46Å; Y446-F465 HydrophobicContact CE1-CG 4.47Å; Y446-V468 HydrophobicContact CG-CG2 4.34Å |
| 447 | N | 92.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 179.3 | -74.4 | -38.2 | 0 | 0 | 0 | 112.8 | L217 S221 F443 V445 K450 A451 | L217-N447 HydrophobicContact CD2-CB 4.29Å; S221-N447 WeakPolarHBondContact OG-CB 3.47Å; F443-N447 WeakPolarHBondContact CE1-ND2 3.31Å; F443-N447 WeakPolarHBondContact CE2-ND2 3.38Å; F443-N447 WeakPolarHBondContact CZ-ND2 3.39Å; F443-N447 PolarHBondContact O-N 3.49Å; F443-N447 PolarHBondContact O-ND2 3.3Å; V445-N447 PolarHBondContact O-N 3.2Å; N447-K450 PolarHBondContact O-N 3.32Å; N447-A451 WeakPolarHBondContact O-CB 3.15Å; N447-A451 PolarHBondContact O-N 2.82Å |
| 448 | T | 94 | Very high | 90.6 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 175.8 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | F218 H226 F444 V445 Y446 A451 I452 | F218-T448 HydrophobicContact CD2-CG2 4.15Å; F218-T448 HydrophobicContact CE2-CG2 4.23Å; H226-T448 PolarHBondContact NE2-OG1 3.18Å; F444-T448 WeakPolarHBondContact O-CB 3.31Å; F444-T448 PolarHBondContact O-N 2.82Å; F444-T448 PolarHBondContact O-OG1 2.83Å; V445-T448 PolarHBondContact O-N 3.37Å; Y446-T448 VanDerWaalsContact C-N 3.33Å; Y446-T448 PolarHBondContact O-N 3Å; T448-A451 WeakPolarHBondContact O-CB 3.33Å; T448-A451 PolarHBondContact O-N 3.45Å; T448-I452 HydrophobicContact CG2-CD1 3.93Å; T448-I452 WeakPolarHBondContact O-CG1 3.23Å; T448-I452 PolarHBondContact O-N 3.13Å; T448-I452 VanDerWaalsContact O-N 3.1Å |
| 449 | M | 91.6 | Very high | 89.4 | Confident | 74 Ų | 74 | 54 Ų | 54 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 176.4 | -71.4 | -65.6 | -70 | 0 | 0 | 111.6 | V445 Y446 A451 I452 Y453 L457 | V445-M449 HydrophobicContact CG1-CG 4.11Å; V445-M449 WeakPolarHBondContact O-CB 3.13Å; V445-M449 VanDerWaalsContact O-CG 3.23Å; V445-M449 WeakPolarHBondContact O-CG 3.2Å; V445-M449 PolarHBondContact O-N 3.07Å; Y446-M449 PolarHBondContact O-N 3.18Å; M449-A451 VanDerWaalsContact C-N 3.3Å; M449-A451 PolarHBondContact O-N 3.5Å; M449-I452 PolarHBondContact O-N 3.31Å; M449-Y453 HydrophobicContact CE-CD2 3.84Å; M449-Y453 HydrophobicContact CE-CE2 4.39Å; M449-Y453 CarbonylContact O-C 3.49Å; M449-Y453 WeakPolarHBondContact O-CA 3.37Å; M449-Y453 PolarHBondContact O-N 2.96Å; M449-Y453 HydrophobicContact SD-CD2 4.18Å; M449-L457 HydrophobicContact CB-CD1 3.77Å |
| 450 | K | 90.5 | Very high | 88.4 | Confident | 22 Ų | 22 | 58 Ų | 58 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 174.3 | -175.5 | 174.9 | 175.8 | 178.7 | 0 | 111.4 | L217 Y446 N447 P454 L457 E461 | L217-K450 HydrophobicContact CD1-CB 4.39Å; L217-K450 HydrophobicContact CD1-CD 3.95Å; L217-K450 HydrophobicContact CD1-CG 4.02Å; Y446-K450 HydrophobicContact CE1-CD 4.09Å; Y446-K450 WeakPolarHBondContact O-CB 3.36Å; Y446-K450 PolarHBondContact O-N 3.42Å; N447-K450 PolarHBondContact O-N 3.32Å; K450-P454 WeakPolarHBondContact O-CA 3.43Å; K450-L457 HydrophobicContact CB-CD1 4.04Å; K450-E461 IonicContact NZ-OE1 2.65Å; K450-E461 PolarHBondContact NZ-OE1 2.92Å; K450-E461 IonicContact NZ-OE2 3.4Å |
| 451 | A | 91.3 | Very high | 87.7 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R214 L217 F218 N447 T448 M449 | R214-A451 VanDerWaalsContact CD-O 3.3Å; R214-A451 WeakPolarHBondContact CD-O 3.39Å; R214-A451 WeakPolarHBondContact CG-O 3.18Å; R214-A451 WeakPolarHBondContact O-CB 3.32Å; L217-A451 HydrophobicContact CB-CB 4.01Å; F218-A451 HydrophobicContact CB-CB 3.93Å; N447-A451 WeakPolarHBondContact O-CB 3.15Å; N447-A451 PolarHBondContact O-N 2.82Å; T448-A451 WeakPolarHBondContact O-CB 3.33Å; T448-A451 PolarHBondContact O-N 3.45Å; M449-A451 VanDerWaalsContact C-N 3.3Å; M449-A451 PolarHBondContact O-N 3.5Å |
| 452 | I | 91.9 | Very high | 86.9 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 43% | 0.431 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -86.1 | -43.9 | -175.5 | -58.5 | 168.4 | 0 | 0 | 0 | 111.8 | F218 T448 M449 P454 | F218-I452 HydrophobicContact CD2-CG1 4.5Å; F218-I452 HydrophobicContact CE2-CD1 4.37Å; T448-I452 HydrophobicContact CG2-CD1 3.93Å; T448-I452 WeakPolarHBondContact O-CG1 3.23Å; T448-I452 PolarHBondContact O-N 3.13Å; T448-I452 VanDerWaalsContact O-N 3.1Å; M449-I452 PolarHBondContact O-N 3.31Å; I452-P454 WeakPolarHBondContact O-CD 3.21Å |
| 453 | Y | 88.1 | Confident | 86.4 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 50% | 0.502 | 35% | 0.354 | S | S | . | . | trans | -128.4 | 65.8 | -173.2 | -55.7 | -67.7 | 0 | 0 | 0 | 111.9 | M449 S455 V456 | M449-Y453 HydrophobicContact CE-CD2 3.84Å; M449-Y453 HydrophobicContact CE-CE2 4.39Å; M449-Y453 CarbonylContact O-C 3.49Å; M449-Y453 WeakPolarHBondContact O-CA 3.37Å; M449-Y453 PolarHBondContact O-N 2.96Å; M449-Y453 HydrophobicContact SD-CD2 4.18Å; Y453-S455 PolarHBondContact O-N 3.26Å; Y453-S455 VanDerWaalsContact O-N 3.16Å; Y453-V456 PolarHBondContact O-N 2.88Å | ||
| 454 | P | 81.7 | Confident | 86.1 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -30 | -174.7 | 24.3 | -34.9 | 0 | 0 | 0 | 113.5 | K450 I452 V456 | K450-P454 WeakPolarHBondContact O-CA 3.43Å; I452-P454 WeakPolarHBondContact O-CD 3.21Å; P454-V456 VanDerWaalsContact C-N 3.32Å; P454-V456 PolarHBondContact O-N 3.48Å |
| 455 | S | 82.1 | Confident | 85.9 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.7 | -28.2 | -179.5 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | Y453 | Y453-S455 PolarHBondContact O-N 3.26Å; Y453-S455 VanDerWaalsContact O-N 3.16Å |
| 456 | V | 79.6 | Confident | 85.7 | Confident | 99 Ų | 99 | 70.1 Ų | 70.1 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -76.6 | -30.8 | -174.3 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | Y453 P454 | Y453-V456 PolarHBondContact O-N 2.88Å; P454-V456 VanDerWaalsContact C-N 3.32Å; P454-V456 PolarHBondContact O-N 3.48Å |
| 457 | L | 78.8 | Confident | 85.7 | Confident | 30 Ų | 30 | 75 Ų | 75 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -98.6 | -7.9 | -172.3 | -64.3 | 176.8 | 0 | 0 | 0 | 114.2 | Y446 M449 K450 T459 Q460 E461 | Y446-L457 HydrophobicContact CD2-CD1 3.92Å; Y446-L457 HydrophobicContact CE2-CB 4.33Å; Y446-L457 HydrophobicContact CE2-CD1 3.9Å; Y446-L457 HydrophobicContact CE2-CG 4.49Å; M449-L457 HydrophobicContact CB-CD1 3.77Å; K450-L457 HydrophobicContact CB-CD1 4.04Å; L457-T459 VanDerWaalsContact C-N 3.29Å; L457-T459 PolarHBondContact O-N 2.9Å; L457-Q460 PolarHBondContact O-N 3.31Å; L457-E461 PolarHBondContact O-N 3.14Å |
| 458 | K | 74.3 | Confident | 85.8 | Confident | 164 Ų | 164 | 75.9 Ų | 75.9 | 71% | 0.713 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -61.6 | -33.9 | -174.8 | -164.6 | 176.2 | -178 | -179.1 | 0 | 113.3 | Q460 | K458-Q460 VanDerWaalsContact C-N 3.31Å; K458-Q460 PolarHBondContact O-N 2.82Å |
| 459 | T | 73 | Confident | 85.9 | Confident | 119 Ų | 119 | 75.3 Ų | 75.3 | 73% | 0.73 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -73.3 | -18.6 | -171.9 | -46.4 | 0 | 0 | 0 | 0 | 114 | L457 | L457-T459 VanDerWaalsContact C-N 3.29Å; L457-T459 PolarHBondContact O-N 2.9Å |
| 460 | Q | 77 | Confident | 86.1 | Confident | 99 Ų | 99 | 73 Ų | 73 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -134 | 16.7 | -173 | -67.4 | -66.7 | -66.6 | 0 | 0 | 113.2 | L457 K458 N462 I463 I464 | L457-Q460 PolarHBondContact O-N 3.31Å; K458-Q460 VanDerWaalsContact C-N 3.31Å; K458-Q460 PolarHBondContact O-N 2.82Å; Q460-N462 VanDerWaalsContact C-N 3.33Å; Q460-N462 PolarHBondContact O-N 3.08Å; Q460-I463 PolarHBondContact O-N 3.19Å; Q460-I464 HydrophobicContact CB-CD1 3.51Å; Q460-I464 HydrophobicContact CB-CG1 3.97Å; Q460-I464 WeakPolarHBondContact O-CB 3.36Å; Q460-I464 WeakPolarHBondContact O-CG1 3.33Å; Q460-I464 PolarHBondContact O-N 2.98Å |
| 461 | E | 82.2 | Confident | 86.5 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.4 | -43.1 | -176.6 | 177.7 | 159.3 | -167.5 | 0 | 0 | 112.7 | Y446 K450 L457 I463 I464 F465 | Y446-E461 WeakPolarHBondContact OH-CG 3.41Å; K450-E461 IonicContact NZ-OE1 2.65Å; K450-E461 PolarHBondContact NZ-OE1 2.92Å; K450-E461 IonicContact NZ-OE2 3.4Å; L457-E461 PolarHBondContact O-N 3.14Å; E461-I463 PolarHBondContact O-N 3.34Å; E461-I463 VanDerWaalsContact O-N 3.08Å; E461-I464 PolarHBondContact O-N 2.8Å; E461-F465 WeakPolarHBondContact O-CB 3.43Å; E461-F465 PolarHBondContact O-N 3.4Å |
| 462 | N | 80.9 | Confident | 86.8 | Confident | 146 Ų | 146 | 75 Ų | 75 | 78% | 0.781 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.1 | -24.6 | -178.9 | -62.4 | -3.6 | 0 | 0 | 0 | 113.8 | Q460 P466 | Q460-N462 VanDerWaalsContact C-N 3.33Å; Q460-N462 PolarHBondContact O-N 3.08Å; N462-P466 WeakPolarHBondContact O-CD 3.38Å; N462-P466 WeakPolarHBondContact O-CG 3.37Å |
| 463 | I | 85.8 | Confident | 87.1 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -102.1 | -47.2 | 179.5 | -60.5 | 173.2 | 0 | 0 | 0 | 110.1 | Q460 E461 L467 | Q460-I463 PolarHBondContact O-N 3.19Å; E461-I463 PolarHBondContact O-N 3.34Å; E461-I463 VanDerWaalsContact O-N 3.08Å; I463-L467 HydrophobicContact CG2-CD1 3.66Å; I463-L467 HydrophobicContact CG2-CG 4.44Å; I463-L467 WeakPolarHBondContact O-CB 3.44Å; I463-L467 WeakPolarHBondContact O-CD1 3.49Å; I463-L467 WeakPolarHBondContact O-CG 3.38Å; I463-L467 PolarHBondContact O-N 3.39Å |
| 464 | I | 89.8 | Confident | 87.4 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | -173.6 | -65 | 173.5 | 0 | 0 | 0 | 111 | Y446 Q460 E461 L467 V468 | Y446-I464 HydrophobicContact CD2-CG2 3.59Å; Y446-I464 HydrophobicContact CE2-CB 4.39Å; Y446-I464 HydrophobicContact CE2-CG2 3.79Å; Q460-I464 HydrophobicContact CB-CD1 3.51Å; Q460-I464 HydrophobicContact CB-CG1 3.97Å; Q460-I464 WeakPolarHBondContact O-CB 3.36Å; Q460-I464 WeakPolarHBondContact O-CG1 3.33Å; Q460-I464 PolarHBondContact O-N 2.98Å; E461-I464 PolarHBondContact O-N 2.8Å; I464-L467 PolarHBondContact O-N 3.44Å; I464-V468 HydrophobicContact CG2-CG1 4.2Å; I464-V468 WeakPolarHBondContact O-CG2 3.33Å; I464-V468 PolarHBondContact O-N 3.3Å |
| 465 | F | 89.8 | Confident | 88.1 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 25% | 0.25 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.2 | -51.7 | -174.3 | 178.8 | -100 | 0 | 0 | 0 | 112.4 | F210 F443 Y446 E461 L467 V468 T469 | F210-F465 HydrophobicContact CB-CZ 4.37Å; F443-F465 AromaticContact CE2-CE2 3.94Å; F443-F465 HydrophobicContact CE2-CE2 3.94Å; F443-F465 HydrophobicContact CE2-CZ 4.49Å; Y446-F465 HydrophobicContact CD1-CD2 4.17Å; Y446-F465 HydrophobicContact CE1-CB 4.35Å; Y446-F465 AromaticContact CE1-CD2 3.63Å; Y446-F465 HydrophobicContact CE1-CD2 3.63Å; Y446-F465 HydrophobicContact CE1-CE2 4.46Å; Y446-F465 HydrophobicContact CE1-CG 4.47Å; E461-F465 WeakPolarHBondContact O-CB 3.43Å; E461-F465 PolarHBondContact O-N 3.4Å; F465-L467 VanDerWaalsContact C-N 3.3Å; F465-L467 PolarHBondContact O-N 3.1Å; F465-V468 WeakPolarHBondContact O-CG2 3.42Å; F465-V468 PolarHBondContact O-N 3.21Å; F465-T469 WeakPolarHBondContact O-CB 3.49Å; F465-T469 PolarHBondContact O-N 3.32Å; F465-T469 PolarHBondContact O-OG1 3.14Å |
| 466 | P | 91.4 | Very high | 88.8 | Confident | 38 Ų | 38 | 61 Ų | 61 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 175.1 | -26 | 36.1 | 0 | 0 | 0 | 113 | N462 T469 W470 | N462-P466 WeakPolarHBondContact O-CD 3.38Å; N462-P466 WeakPolarHBondContact O-CG 3.37Å; P466-T469 PolarHBondContact O-N 3.24Å; P466-W470 WeakPolarHBondContact O-CB 3.1Å; P466-W470 VanDerWaalsContact O-CD1 3.26Å; P466-W470 PolarHBondContact O-N 3.49Å |
| 467 | L | 93.5 | Very high | 89.6 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 60% | 0.597 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.5 | -48 | -179.5 | -73.2 | 176 | 0 | 0 | 0 | 112.6 | I463 I464 F465 L471 | I463-L467 HydrophobicContact CG2-CD1 3.66Å; I463-L467 HydrophobicContact CG2-CG 4.44Å; I463-L467 WeakPolarHBondContact O-CB 3.44Å; I463-L467 WeakPolarHBondContact O-CD1 3.49Å; I463-L467 WeakPolarHBondContact O-CG 3.38Å; I463-L467 PolarHBondContact O-N 3.39Å; I464-L467 PolarHBondContact O-N 3.44Å; F465-L467 VanDerWaalsContact C-N 3.3Å; F465-L467 PolarHBondContact O-N 3.1Å; L467-L471 WeakPolarHBondContact O-CB 3.39Å; L467-L471 PolarHBondContact O-N 3.29Å |
| 468 | V | 95.3 | Very high | 90.4 | Very high | 21 Ų | 21 | 58 Ų | 58 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.9 | -34.1 | -180 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | P442 F443 Y446 I464 F465 G472 | P442-V468 HydrophobicContact CB-CB 4.31Å; P442-V468 HydrophobicContact CB-CG1 4.02Å; F443-V468 HydrophobicContact CB-CB 4.37Å; F443-V468 HydrophobicContact CB-CG2 4.32Å; F443-V468 HydrophobicContact CD2-CG2 4.2Å; Y446-V468 HydrophobicContact CG-CG2 4.34Å; I464-V468 HydrophobicContact CG2-CG1 4.2Å; I464-V468 WeakPolarHBondContact O-CG2 3.33Å; I464-V468 PolarHBondContact O-N 3.3Å; F465-V468 WeakPolarHBondContact O-CG2 3.42Å; F465-V468 PolarHBondContact O-N 3.21Å; V468-G472 PolarHBondContact O-N 2.89Å |
| 469 | T | 95.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -50 | 176 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | F465 P466 L471 G472 Y473 | F465-T469 WeakPolarHBondContact O-CB 3.49Å; F465-T469 PolarHBondContact O-N 3.32Å; F465-T469 PolarHBondContact O-OG1 3.14Å; P466-T469 PolarHBondContact O-N 3.24Å; T469-L471 VanDerWaalsContact C-N 3.33Å; T469-L471 PolarHBondContact O-N 3.28Å; T469-G472 WeakPolarHBondContact O-CA 3.33Å; T469-G472 PolarHBondContact O-N 3.45Å; T469-G472 VanDerWaalsContact O-N 3.07Å; T469-Y473 HydrophobicContact CG2-CD2 4.24Å; T469-Y473 HydrophobicContact CG2-CE1 3.97Å; T469-Y473 HydrophobicContact CG2-CE2 3.6Å; T469-Y473 VanDerWaalsContact CG2-CZ 3.44Å; T469-Y473 PolarHBondContact O-N 2.86Å |
| 470 | W | 96.5 | Very high | 92.5 | Very high | 26 Ų | 26 | 45 Ų | 45 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.6 | -34.2 | 178.3 | -85.2 | 103.2 | 0 | 0 | 0 | 112.9 | F40 A91 V92 P466 G472 Y473 L474 | F40-W470 HydrophobicContact CD1-CD2 4.28Å; F40-W470 HydrophobicContact CD1-CE3 4.01Å; F40-W470 AromaticContact CD1-CH2 3.3Å; F40-W470 HydrophobicContact CD1-CH2 3.3Å; F40-W470 AromaticContact CD1-CZ2 3.61Å; F40-W470 HydrophobicContact CD1-CZ2 3.61Å; F40-W470 AromaticContact CD1-CZ3 3.52Å; F40-W470 HydrophobicContact CD1-CZ3 3.52Å; F40-W470 AromaticContact CE1-CD2 3.51Å; F40-W470 HydrophobicContact CE1-CD2 3.51Å; F40-W470 AromaticContact CE1-CE2 3.41Å; F40-W470 VanDerWaalsContact CE1-CE2 3.41Å; F40-W470 AromaticContact CE1-CE3 3.6Å; F40-W470 HydrophobicContact CE1-CE3 3.6Å; F40-W470 HydrophobicContact CE1-CG 4.28Å; F40-W470 AromaticContact CE1-CH2 3.54Å; F40-W470 HydrophobicContact CE1-CH2 3.54Å; F40-W470 AromaticContact CE1-CZ2 3.44Å; F40-W470 HydrophobicContact CE1-CZ2 3.44Å; F40-W470 VanDerWaalsContact CE1-CZ2 3.44Å; F40-W470 AromaticContact CE1-CZ3 3.61Å; F40-W470 HydrophobicContact CE1-CZ3 3.61Å; F40-W470 HydrophobicContact CG-CH2 4.14Å; F40-W470 HydrophobicContact CG-CZ2 4.32Å; F40-W470 HydrophobicContact CZ-CD2 4.2Å; F40-W470 AromaticContact CZ-CE2 3.82Å; F40-W470 HydrophobicContact CZ-CH2 4.49Å; F40-W470 AromaticContact CZ-CZ2 4Å; F40-W470 HydrophobicContact CZ-CZ2 4Å; A91-W470 HydrophobicContact CB-CZ2 4.2Å; V92-W470 HydrophobicContact CG2-CH2 3.42Å; V92-W470 VanDerWaalsContact CG2-CH2 3.42Å; V92-W470 HydrophobicContact CG2-CZ2 3.56Å; P466-W470 WeakPolarHBondContact O-CB 3.1Å; P466-W470 VanDerWaalsContact O-CD1 3.26Å; P466-W470 PolarHBondContact O-N 3.49Å; W470-G472 VanDerWaalsContact C-N 3.27Å; W470-G472 PolarHBondContact O-N 3.12Å; W470-Y473 HydrophobicContact CD2-CD2 4.21Å; W470-Y473 HydrophobicContact CE3-CD2 4.1Å; W470-Y473 HydrophobicContact CZ3-CD2 4.32Å; W470-Y473 PolarHBondContact O-N 3.44Å; W470-L474 VanDerWaalsContact O-CG 3.29Å; W470-L474 WeakPolarHBondContact O-CG 3.5Å; W470-L474 PolarHBondContact O-N 3.3Å |
| 471 | L | 97.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 171.5 | -179.9 | 61.2 | 0 | 0 | 0 | 111.9 | C439 P442 L467 T469 | C439-L471 WeakPolarHBondContact CB-O 3.23Å; P442-L471 HydrophobicContact CB-CD2 4.37Å; P442-L471 HydrophobicContact CG-CD2 3.88Å; L467-L471 WeakPolarHBondContact O-CB 3.39Å; L467-L471 PolarHBondContact O-N 3.29Å; T469-L471 VanDerWaalsContact C-N 3.33Å; T469-L471 PolarHBondContact O-N 3.28Å |
| 472 | G | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | C439 W440 V468 T469 W470 L474 N475 | C439-G472 WeakPolarHBondContact O-CA 3.26Å; C439-G472 PolarHBondContact O-N 3.3Å; W440-G472 PolarHBondContact NE1-O 3.45Å; V468-G472 PolarHBondContact O-N 2.89Å; T469-G472 WeakPolarHBondContact O-CA 3.33Å; T469-G472 PolarHBondContact O-N 3.45Å; T469-G472 VanDerWaalsContact O-N 3.07Å; W470-G472 VanDerWaalsContact C-N 3.27Å; W470-G472 PolarHBondContact O-N 3.12Å; G472-L474 VanDerWaalsContact C-N 3.34Å; G472-L474 PolarHBondContact O-N 3.49Å; G472-N475 WeakPolarHBondContact O-CB 3.33Å; G472-N475 PolarHBondContact O-N 3.4Å |
| 473 | Y | 98.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | -179 | -66.5 | -9.7 | 0 | 0 | 0 | 113.5 | L83 V87 M88 A91 D129 W440 T469 W470 N475 S476 | L83-Y473 HydrophobicContact CD1-CD1 3.89Å; L83-Y473 HydrophobicContact CD1-CE1 3.88Å; L83-Y473 HydrophobicContact CD2-CD1 3.98Å; L83-Y473 HydrophobicContact CD2-CG 4.42Å; L83-Y473 HydrophobicContact CG-CD1 4.38Å; V87-Y473 HydrophobicContact CG1-CE1 4.05Å; V87-Y473 HydrophobicContact CG1-CE2 4.24Å; V87-Y473 WeakPolarHBondContact CG1-OH 3.33Å; M88-Y473 WeakPolarHBondContact CE-O 3.22Å; M88-Y473 HydrophobicContact CG-CD2 4.37Å; A91-Y473 HydrophobicContact CB-CE2 3.75Å; D129-Y473 VanDerWaalsContact CG-OH 3.25Å; D129-Y473 WeakPolarHBondContact OD1-CE1 3.49Å; D129-Y473 PolarHBondContact OD2-OH 3.32Å; W440-Y473 HydrophobicContact CH2-CD1 4.06Å; W440-Y473 HydrophobicContact CH2-CE1 4.01Å; W440-Y473 HydrophobicContact CZ2-CD1 4.23Å; T469-Y473 HydrophobicContact CG2-CD2 4.24Å; T469-Y473 HydrophobicContact CG2-CE1 3.97Å; T469-Y473 HydrophobicContact CG2-CE2 3.6Å; T469-Y473 VanDerWaalsContact CG2-CZ 3.44Å; T469-Y473 PolarHBondContact O-N 2.86Å; W470-Y473 HydrophobicContact CD2-CD2 4.21Å; W470-Y473 HydrophobicContact CE3-CD2 4.1Å; W470-Y473 HydrophobicContact CZ3-CD2 4.32Å; W470-Y473 PolarHBondContact O-N 3.44Å; Y473-N475 PolarHBondContact O-N 3.06Å; Y473-N475 VanDerWaalsContact O-N 3.16Å; Y473-S476 PolarHBondContact O-N 2.98Å |
| 474 | L | 96.3 | Very high | 94.7 | Very high | 71 Ų | 71 | 32 Ų | 32 | 37% | 0.372 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.6 | -28.4 | 177.4 | -74.5 | 172.5 | 0 | 0 | 0 | 113 | I43 W470 G472 S476 G477 V478 | I43-L474 HydrophobicContact CD1-CD2 4.19Å; I43-L474 HydrophobicContact CG2-CD2 3.98Å; W470-L474 VanDerWaalsContact O-CG 3.29Å; W470-L474 WeakPolarHBondContact O-CG 3.5Å; W470-L474 PolarHBondContact O-N 3.3Å; G472-L474 VanDerWaalsContact C-N 3.34Å; G472-L474 PolarHBondContact O-N 3.49Å; L474-S476 VanDerWaalsContact C-N 3.25Å; L474-S476 PolarHBondContact O-N 2.93Å; L474-G477 PolarHBondContact O-N 2.96Å; L474-G477 VanDerWaalsContact O-N 3.09Å; L474-V478 WeakPolarHBondContact O-CG2 3.01Å; L474-V478 PolarHBondContact O-N 3.43Å |
| 475 | N | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.3 | -43.7 | 176.6 | 174.9 | 67.3 | 0 | 0 | 0 | 112.7 | F436 C439 G472 Y473 G477 V478 N479 | F436-N475 WeakPolarHBondContact CA-OD1 2.98Å; F436-N475 WeakPolarHBondContact CD2-ND2 3.41Å; F436-N475 PolarHBondContact N-OD1 3.46Å; C439-N475 HydrophobicContact CB-CB 3.69Å; G472-N475 WeakPolarHBondContact O-CB 3.33Å; G472-N475 PolarHBondContact O-N 3.4Å; Y473-N475 PolarHBondContact O-N 3.06Å; Y473-N475 VanDerWaalsContact O-N 3.16Å; N475-G477 PolarHBondContact O-N 2.83Å; N475-V478 PolarHBondContact O-N 3.43Å; N475-N479 PolarHBondContact O-N 3.43Å |
| 476 | S | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.3 | -27.4 | -177 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | N51 D80 L83 Y473 L474 | N51-S476 PolarHBondContact ND2-O 2.03Å; D80-S476 WeakPolarHBondContact OD1-CA 3.28Å; D80-S476 VanDerWaalsContact OD1-CB 3.24Å; D80-S476 WeakPolarHBondContact OD1-CB 3.34Å; D80-S476 PolarHBondContact OD1-OG 3.04Å; L83-S476 WeakPolarHBondContact CD2-OG 3.37Å; Y473-S476 PolarHBondContact O-N 2.98Å; L474-S476 VanDerWaalsContact C-N 3.25Å; L474-S476 PolarHBondContact O-N 2.93Å |
| 477 | G | 95.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.5 | -26.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T47 L474 N475 F481 | T47-G477 WeakPolarHBondContact OG1-CA 3.03Å; L474-G477 PolarHBondContact O-N 2.96Å; L474-G477 VanDerWaalsContact O-N 3.09Å; N475-G477 PolarHBondContact O-N 2.83Å; G477-F481 WeakPolarHBondContact O-CD2 3.04Å; G477-F481 VanDerWaalsContact O-CE2 3.23Å; G477-F481 WeakPolarHBondContact O-CE2 3.05Å |
| 478 | V | 96.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 34% | 0.339 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -79.4 | -32 | -175.1 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | V435 L474 N475 F481 I482 | V435-V478 HydrophobicContact CG1-CG1 4.11Å; L474-V478 WeakPolarHBondContact O-CG2 3.01Å; L474-V478 PolarHBondContact O-N 3.43Å; N475-V478 PolarHBondContact O-N 3.43Å; V478-F481 WeakPolarHBondContact O-CB 3.49Å; V478-F481 PolarHBondContact O-N 3.4Å; V478-I482 HydrophobicContact CG1-CD1 3.88Å; V478-I482 HydrophobicContact CG1-CG1 4Å; V478-I482 PolarHBondContact O-N 2.63Å |
| 479 | N | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.3 | -48.7 | -174.5 | -77.1 | -19.8 | 0 | 0 | 0 | 114.9 | D80 N475 F481 I482 Y483 | D80-N479 PolarHBondContact OD2-ND2 2.93Å; N475-N479 PolarHBondContact O-N 3.43Å; N479-F481 PolarHBondContact O-N 3.47Å; N479-I482 WeakPolarHBondContact O-CB 3.39Å; N479-I482 PolarHBondContact O-N 2.85Å; N479-Y483 HydrophobicContact CB-CE2 3.96Å; N479-Y483 WeakPolarHBondContact O-CD2 3.37Å; N479-Y483 PolarHBondContact O-N 3.19Å; N479-Y483 VanDerWaalsContact O-N 3.07Å |
| 480 | P | 95.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.1 | -36.9 | 175.5 | -28.5 | 36.3 | 0 | 0 | 0 | 113.8 | V54 Y483 A484 | V54-P480 HydrophobicContact CG2-CB 4.24Å; V54-P480 HydrophobicContact CG2-CG 4.24Å; P480-Y483 PolarHBondContact O-N 3.03Å; P480-A484 WeakPolarHBondContact O-CB 3.48Å; P480-A484 PolarHBondContact O-N 3.19Å |
| 481 | F | 94.9 | Very high | 93 | Very high | 108 Ų | 108 | 36.4 Ų | 36.4 | 47% | 0.474 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 177.2 | -61.5 | -82.5 | 0 | 0 | 0 | 112 | I46 G477 V478 N479 Y483 A484 Y485 | I46-F481 HydrophobicContact CG2-CE2 3.52Å; I46-F481 HydrophobicContact CG2-CZ 3.65Å; G477-F481 WeakPolarHBondContact O-CD2 3.04Å; G477-F481 VanDerWaalsContact O-CE2 3.23Å; G477-F481 WeakPolarHBondContact O-CE2 3.05Å; V478-F481 WeakPolarHBondContact O-CB 3.49Å; V478-F481 PolarHBondContact O-N 3.4Å; N479-F481 PolarHBondContact O-N 3.47Å; F481-Y483 VanDerWaalsContact C-N 3.31Å; F481-Y483 PolarHBondContact O-N 3.46Å; F481-A484 PolarHBondContact O-N 3.22Å; F481-Y485 WeakPolarHBondContact O-CB 3.3Å; F481-Y485 PolarHBondContact O-N 3.37Å |
| 482 | I | 94.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.3 | -60.9 | 171.9 | 0 | 0 | 0 | 110.2 | T428 I431 V432 V435 V478 N479 Y485 S486 | T428-I482 HydrophobicContact CG2-CG2 3.91Å; I431-I482 HydrophobicContact CG2-CD1 4.36Å; I431-I482 HydrophobicContact CG2-CG2 4.28Å; V432-I482 HydrophobicContact CG2-CB 4.29Å; V432-I482 HydrophobicContact CG2-CD1 4.13Å; V432-I482 HydrophobicContact CG2-CG2 3.65Å; V435-I482 HydrophobicContact CB-CD1 4.33Å; V435-I482 HydrophobicContact CG2-CD1 4.06Å; V478-I482 HydrophobicContact CG1-CD1 3.88Å; V478-I482 HydrophobicContact CG1-CG1 4Å; V478-I482 PolarHBondContact O-N 2.63Å; N479-I482 WeakPolarHBondContact O-CB 3.39Å; N479-I482 PolarHBondContact O-N 2.85Å; I482-Y485 PolarHBondContact O-N 3.4Å; I482-S486 VanDerWaalsContact O-CB 3.25Å; I482-S486 WeakPolarHBondContact O-CB 3.43Å; I482-S486 PolarHBondContact O-N 2.97Å; I482-S486 PolarHBondContact O-OG 3.47Å; I482-S486 VanDerWaalsContact O-OG 3.05Å |
| 483 | Y | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.4 | -44.5 | 178.6 | -57.5 | -43.8 | 0 | 0 | 0 | 112.3 | V54 I73 L76 V432 N479 P480 F481 Y485 S486 L487 | V54-Y483 HydrophobicContact CG2-CD2 3.94Å; V54-Y483 HydrophobicContact CG2-CE2 4.46Å; I73-Y483 HydrophobicContact CD1-CE1 4.21Å; I73-Y483 HydrophobicContact CG1-CE1 4.25Å; I73-Y483 HydrophobicContact CG2-CD1 4.47Å; I73-Y483 HydrophobicContact CG2-CD2 4.17Å; I73-Y483 HydrophobicContact CG2-CE1 4Å; I73-Y483 HydrophobicContact CG2-CE2 3.7Å; L76-Y483 WeakPolarHBondContact CD2-OH 3.2Å; V432-Y483 HydrophobicContact CG2-CE1 3.79Å; N479-Y483 HydrophobicContact CB-CE2 3.96Å; N479-Y483 WeakPolarHBondContact O-CD2 3.37Å; N479-Y483 PolarHBondContact O-N 3.19Å; N479-Y483 VanDerWaalsContact O-N 3.07Å; P480-Y483 PolarHBondContact O-N 3.03Å; F481-Y483 VanDerWaalsContact C-N 3.31Å; F481-Y483 PolarHBondContact O-N 3.46Å; Y483-Y485 VanDerWaalsContact C-N 3.27Å; Y483-Y485 PolarHBondContact O-N 3.08Å; Y483-S486 PolarHBondContact O-N 3.34Å; Y483-L487 HydrophobicContact CD1-CD1 3.62Å; Y483-L487 HydrophobicContact CD1-CG 4.43Å; Y483-L487 HydrophobicContact CE1-CD1 4.36Å; Y483-L487 HydrophobicContact CG-CD1 4.37Å; Y483-L487 WeakPolarHBondContact O-CB 3.3Å; Y483-L487 PolarHBondContact O-N 3.34Å |
| 484 | A | 90 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y369 F373 P480 F481 R491 F494 | Y369-A484 WeakPolarHBondContact OH-CB 3.44Å; F373-A484 HydrophobicContact CD1-CB 4.12Å; F373-A484 HydrophobicContact CE1-CB 3.67Å; F373-A484 HydrophobicContact CZ-CB 4Å; P480-A484 WeakPolarHBondContact O-CB 3.48Å; P480-A484 PolarHBondContact O-N 3.19Å; F481-A484 PolarHBondContact O-N 3.22Å; A484-R491 WeakPolarHBondContact O-CB 3.42Å; A484-R491 WeakPolarHBondContact O-CD 3.42Å; A484-R491 WeakPolarHBondContact O-CG 3.34Å; A484-F494 HydrophobicContact CB-CD2 3.95Å; A484-F494 HydrophobicContact CB-CE2 4.09Å |
| 485 | Y | 88.5 | Confident | 91.4 | Very high | 150 Ų | 150 | 37.3 Ų | 37.3 | 59% | 0.588 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -74 | -47.7 | 179.2 | -178.9 | -110.5 | 0 | 0 | 0 | 112.5 | F481 I482 Y483 | F481-Y485 WeakPolarHBondContact O-CB 3.3Å; F481-Y485 PolarHBondContact O-N 3.37Å; I482-Y485 PolarHBondContact O-N 3.4Å; Y483-Y485 VanDerWaalsContact C-N 3.27Å; Y483-Y485 PolarHBondContact O-N 3.08Å |
| 486 | S | 85.4 | Confident | 90.8 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -99.4 | -29.6 | -162.4 | -49.5 | 0 | 0 | 0 | 0 | 114.4 | T428 I482 Y483 | T428-S486 WeakPolarHBondContact OG1-CB 3.27Å; I482-S486 VanDerWaalsContact O-CB 3.25Å; I482-S486 WeakPolarHBondContact O-CB 3.43Å; I482-S486 PolarHBondContact O-N 2.97Å; I482-S486 PolarHBondContact O-OG 3.47Å; I482-S486 VanDerWaalsContact O-OG 3.05Å; Y483-S486 PolarHBondContact O-N 3.34Å |
| 487 | L | 86.9 | Confident | 90.3 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.12 | 20% | 0.199 | C | C | . | . | trans | -102 | 98.5 | -177.3 | -61 | -179.6 | 0 | 0 | 0 | 111.2 | I73 A425 T428 Y483 D489 I490 R491 | I73-L487 HydrophobicContact CD1-CD1 3.77Å; A425-L487 HydrophobicContact CB-CD2 4.43Å; T428-L487 HydrophobicContact CG2-CD2 4.08Å; T428-L487 HydrophobicContact CG2-CG 4.02Å; Y483-L487 HydrophobicContact CD1-CD1 3.62Å; Y483-L487 HydrophobicContact CD1-CG 4.43Å; Y483-L487 HydrophobicContact CE1-CD1 4.36Å; Y483-L487 HydrophobicContact CG-CD1 4.37Å; Y483-L487 WeakPolarHBondContact O-CB 3.3Å; Y483-L487 PolarHBondContact O-N 3.34Å; L487-D489 VanDerWaalsContact C-N 3.27Å; L487-D489 PolarHBondContact O-N 2.95Å; L487-I490 HydrophobicContact CB-CB 4.09Å; L487-I490 HydrophobicContact CB-CD1 4.23Å; L487-I490 HydrophobicContact CB-CG1 4.11Å; L487-I490 HydrophobicContact CD1-CD1 3.56Å; L487-I490 HydrophobicContact CD1-CG1 4.32Å; L487-I490 PolarHBondContact O-N 3.33Å; L487-R491 WeakPolarHBondContact O-CB 3.42Å; L487-R491 PolarHBondContact O-N 2.81Å | ||
| 488 | R | 86.4 | Confident | 89.8 | Confident | 91 Ų | 91 | 43.5 Ų | 43.5 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.2 | -36.9 | -175.3 | -65.4 | -179.1 | 179.9 | -172.5 | -6 | 114.1 | N377 K492 | N377-R488 VanDerWaalsContact CG-NH2 3.28Å; N377-R488 PolarHBondContact ND2-NH2 3.24Å; N377-R488 PolarHBondContact OD1-NH2 3.14Å; N377-R488 VanDerWaalsContact OD1-NH2 3.14Å; R488-K492 VanDerWaalsContact O-CG 3.32Å; R488-K492 WeakPolarHBondContact O-CG 3.44Å; R488-K492 PolarHBondContact O-N 2.92Å |
| 489 | D | 88.1 | Confident | 89 | Confident | 98 Ų | 98 | 41.1 Ų | 41.1 | 52% | 0.524 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -75.8 | -37.6 | -176.6 | -61.5 | -37.2 | 0 | 0 | 0 | 111.4 | L64 L487 K492 A493 | L64-D489 HydrophobicContact CD1-CB 4.07Å; L487-D489 VanDerWaalsContact C-N 3.27Å; L487-D489 PolarHBondContact O-N 2.95Å; D489-K492 PolarHBondContact O-N 3.35Å; D489-A493 PolarHBondContact O-N 2.98Å; D489-A493 VanDerWaalsContact O-N 3.14Å |
| 490 | I | 89.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -45.7 | 172.1 | -59.4 | -170.9 | 0 | 0 | 0 | 110.4 | L64 I73 L487 K492 A493 F494 | L64-I490 HydrophobicContact CD2-CG1 4.17Å; I73-I490 HydrophobicContact CD1-CD1 4.36Å; L487-I490 HydrophobicContact CB-CB 4.09Å; L487-I490 HydrophobicContact CB-CD1 4.23Å; L487-I490 HydrophobicContact CB-CG1 4.11Å; L487-I490 HydrophobicContact CD1-CD1 3.56Å; L487-I490 HydrophobicContact CD1-CG1 4.32Å; L487-I490 PolarHBondContact O-N 3.33Å; I490-K492 VanDerWaalsContact C-N 3.27Å; I490-K492 PolarHBondContact O-N 3.04Å; I490-A493 CarbonylContact O-C 3.58Å; I490-A493 WeakPolarHBondContact O-CA 3.45Å; I490-A493 WeakPolarHBondContact O-CB 3.5Å; I490-A493 PolarHBondContact O-N 2.84Å; I490-F494 HydrophobicContact CG2-CD1 3.99Å; I490-F494 HydrophobicContact CG2-CD2 4.43Å; I490-F494 HydrophobicContact CG2-CE1 3.49Å; I490-F494 VanDerWaalsContact CG2-CE1 3.49Å; I490-F494 HydrophobicContact CG2-CE2 4.01Å; I490-F494 HydrophobicContact CG2-CG 4.45Å; I490-F494 HydrophobicContact CG2-CZ 3.53Å; I490-F494 PolarHBondContact O-N 3.44Å |
| 491 | R | 90.7 | Very high | 86.2 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54 | -42.9 | 174.6 | -178.9 | 178.5 | 54 | -170.8 | 15.1 | 112.7 | F373 R375 A484 L487 A493 F494 L495 | F373-R491 HydrophobicContact CB-CG 4.33Å; F373-R491 VanDerWaalsContact O-CD 3.25Å; F373-R491 WeakPolarHBondContact O-CD 3.49Å; F373-R491 VanDerWaalsContact O-CZ 3.29Å; F373-R491 PolarHBondContact O-NH1 2.96Å; R375-R491 PolarHBondContact O-NH2 2.9Å; A484-R491 WeakPolarHBondContact O-CB 3.42Å; A484-R491 WeakPolarHBondContact O-CD 3.42Å; A484-R491 WeakPolarHBondContact O-CG 3.34Å; L487-R491 WeakPolarHBondContact O-CB 3.42Å; L487-R491 PolarHBondContact O-N 2.81Å; R491-A493 VanDerWaalsContact C-N 3.33Å; R491-F494 PolarHBondContact O-N 3.21Å; R491-L495 HydrophobicContact CG-CD1 4.33Å; R491-L495 WeakPolarHBondContact O-CG 3.47Å; R491-L495 PolarHBondContact O-N 3.46Å |
| 492 | K | 89.7 | Confident | 84.8 | Confident | 125 Ų | 125 | 45.6 Ų | 45.6 | 54% | 0.543 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.1 | -77.7 | 175.6 | 179.6 | -177.8 | 0 | 111.3 | R488 D489 I490 F494 L495 D496 | R488-K492 VanDerWaalsContact O-CG 3.32Å; R488-K492 WeakPolarHBondContact O-CG 3.44Å; R488-K492 PolarHBondContact O-N 2.92Å; D489-K492 PolarHBondContact O-N 3.35Å; I490-K492 VanDerWaalsContact C-N 3.27Å; I490-K492 PolarHBondContact O-N 3.04Å; K492-F494 VanDerWaalsContact C-N 3.33Å; K492-F494 PolarHBondContact O-N 2.72Å; K492-L495 PolarHBondContact O-N 3.48Å; K492-D496 WeakPolarHBondContact O-CB 3.34Å; K492-D496 PolarHBondContact O-N 2.87Å; K492-D496 VanDerWaalsContact O-OD1 3.09Å |
| 493 | A | 89.2 | Confident | 83.3 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A57 K61 L64 D489 I490 R491 D496 I497 | A57-A493 HydrophobicContact CB-CB 3.8Å; K61-A493 HydrophobicContact CG-CB 4.1Å; L64-A493 HydrophobicContact CD2-CB 3.82Å; D489-A493 PolarHBondContact O-N 2.98Å; D489-A493 VanDerWaalsContact O-N 3.14Å; I490-A493 CarbonylContact O-C 3.58Å; I490-A493 WeakPolarHBondContact O-CA 3.45Å; I490-A493 WeakPolarHBondContact O-CB 3.5Å; I490-A493 PolarHBondContact O-N 2.84Å; R491-A493 VanDerWaalsContact C-N 3.33Å; A493-D496 WeakPolarHBondContact O-CB 3.36Å; A493-D496 PolarHBondContact O-N 2.63Å; A493-I497 WeakPolarHBondContact O-CD1 3.49Å; A493-I497 VanDerWaalsContact O-CG1 3.27Å; A493-I497 WeakPolarHBondContact O-CG1 3.3Å; A493-I497 PolarHBondContact O-N 3.42Å |
| 494 | F | 91 | Very high | 81.8 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 174 | -69.9 | 0.4 | 0 | 0 | 0 | 111.6 | L53 V54 A57 Y369 A484 I490 R491 K492 D496 I497 L498 | L53-F494 HydrophobicContact CB-CE1 4.42Å; L53-F494 HydrophobicContact CD1-CD1 4.25Å; L53-F494 HydrophobicContact CD2-CB 4.12Å; L53-F494 HydrophobicContact CD2-CD1 3.84Å; L53-F494 HydrophobicContact CD2-CD2 3.89Å; L53-F494 HydrophobicContact CD2-CE1 4.13Å; L53-F494 HydrophobicContact CD2-CE2 4.16Å; L53-F494 HydrophobicContact CD2-CG 3.7Å; L53-F494 HydrophobicContact CD2-CZ 4.26Å; L53-F494 HydrophobicContact CG-CD1 3.61Å; L53-F494 HydrophobicContact CG-CD2 4.49Å; L53-F494 HydrophobicContact CG-CE1 3.69Å; L53-F494 HydrophobicContact CG-CG 4.02Å; L53-F494 HydrophobicContact CG-CZ 4.16Å; L53-F494 WeakPolarHBondContact O-CE1 3.44Å; V54-F494 HydrophobicContact CB-CZ 4.38Å; V54-F494 HydrophobicContact CG2-CE1 4.43Å; V54-F494 HydrophobicContact CG2-CZ 3.68Å; A57-F494 HydrophobicContact CB-CD1 3.81Å; A57-F494 HydrophobicContact CB-CE1 3.68Å; Y369-F494 HydrophobicContact CE1-CB 4.37Å; Y369-F494 WeakPolarHBondContact OH-CB 3.24Å; Y369-F494 WeakPolarHBondContact OH-CD2 3.34Å; A484-F494 HydrophobicContact CB-CD2 3.95Å; A484-F494 HydrophobicContact CB-CE2 4.09Å; I490-F494 HydrophobicContact CG2-CD1 3.99Å; I490-F494 HydrophobicContact CG2-CD2 4.43Å; I490-F494 HydrophobicContact CG2-CE1 3.49Å; I490-F494 VanDerWaalsContact CG2-CE1 3.49Å; I490-F494 HydrophobicContact CG2-CE2 4.01Å; I490-F494 HydrophobicContact CG2-CG 4.45Å; I490-F494 HydrophobicContact CG2-CZ 3.53Å; I490-F494 PolarHBondContact O-N 3.44Å; R491-F494 PolarHBondContact O-N 3.21Å; K492-F494 VanDerWaalsContact C-N 3.33Å; K492-F494 PolarHBondContact O-N 2.72Å; F494-D496 VanDerWaalsContact C-N 3.26Å; F494-D496 PolarHBondContact O-N 3.34Å; F494-I497 PolarHBondContact O-N 3.16Å; F494-L498 WeakPolarHBondContact O-CB 3.27Å; F494-L498 WeakPolarHBondContact O-CG 3.41Å; F494-L498 PolarHBondContact O-N 2.88Å |
| 495 | L | 87.1 | Confident | 80.6 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 173.7 | -72.8 | 167.4 | 0 | 0 | 0 | 111.8 | Y369 R370 R491 K492 I497 C499 | Y369-L495 HydrophobicContact CD1-CD2 3.48Å; Y369-L495 VanDerWaalsContact CD1-CD2 3.48Å; Y369-L495 HydrophobicContact CD1-CG 4.26Å; Y369-L495 HydrophobicContact CE1-CD2 3.71Å; Y369-L495 HydrophobicContact CE1-CG 3.97Å; R370-L495 HydrophobicContact CB-CD2 4.49Å; R370-L495 HydrophobicContact CG-CD2 4.44Å; R491-L495 HydrophobicContact CG-CD1 4.33Å; R491-L495 WeakPolarHBondContact O-CG 3.47Å; R491-L495 PolarHBondContact O-N 3.46Å; K492-L495 PolarHBondContact O-N 3.48Å; L495-I497 VanDerWaalsContact C-N 3.31Å; L495-I497 PolarHBondContact O-N 3.39Å; L495-C499 WeakPolarHBondContact O-CA 3.31Å; L495-C499 WeakPolarHBondContact O-CB 3.36Å; L495-C499 PolarHBondContact O-N 3.38Å |
| 496 | D | 83.9 | Confident | 79.5 | Confident | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.219 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 178.3 | -70.6 | -4.6 | 0 | 0 | 0 | 112.8 | K61 K492 A493 F494 T500 K503 | K61-D496 IonicContact NZ-OD2 2.71Å; K61-D496 PolarHBondContact NZ-OD2 3.27Å; K492-D496 WeakPolarHBondContact O-CB 3.34Å; K492-D496 PolarHBondContact O-N 2.87Å; K492-D496 VanDerWaalsContact O-OD1 3.09Å; A493-D496 WeakPolarHBondContact O-CB 3.36Å; A493-D496 PolarHBondContact O-N 2.63Å; F494-D496 VanDerWaalsContact C-N 3.26Å; F494-D496 PolarHBondContact O-N 3.34Å; D496-T500 WeakPolarHBondContact O-CG2 3.4Å; D496-K503 VanDerWaalsContact CG-CE 3.43Å; D496-K503 WeakPolarHBondContact OD1-CE 3.38Å; D496-K503 IonicContact OD1-NZ 3.19Å; D496-K503 PolarHBondContact OD1-NZ 3.46Å; D496-K503 IonicContact OD2-NZ 3.21Å; D496-K503 PolarHBondContact OD2-NZ 3.18Å |
| 497 | I | 86 | Confident | 78.7 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -82.7 | -46.1 | -178.1 | -67.3 | 162.3 | 0 | 0 | 0 | 110.9 | L53 V56 A57 A493 F494 L495 T500 | L53-I497 HydrophobicContact CD1-CB 4.01Å; L53-I497 HydrophobicContact CD1-CD1 4.09Å; L53-I497 HydrophobicContact CD1-CG2 3.63Å; V56-I497 HydrophobicContact CG1-CD1 3.96Å; A57-I497 HydrophobicContact CB-CD1 3.84Å; A493-I497 WeakPolarHBondContact O-CD1 3.49Å; A493-I497 VanDerWaalsContact O-CG1 3.27Å; A493-I497 WeakPolarHBondContact O-CG1 3.3Å; A493-I497 PolarHBondContact O-N 3.42Å; F494-I497 PolarHBondContact O-N 3.16Å; L495-I497 VanDerWaalsContact C-N 3.31Å; L495-I497 PolarHBondContact O-N 3.39Å; I497-T500 WeakPolarHBondContact O-CG2 3.47Å |
| 498 | L | 85.5 | Confident | 77.8 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -79 | -29.6 | -177 | -63.5 | 174.1 | 0 | 0 | 0 | 112.7 | L53 F365 Y369 F494 | L53-L498 HydrophobicContact CD1-CD2 4.28Å; L53-L498 HydrophobicContact CD1-CG 4.29Å; L53-L498 HydrophobicContact CD2-CD1 3.85Å; L53-L498 HydrophobicContact CD2-CD2 4.37Å; L53-L498 HydrophobicContact CD2-CG 4.2Å; F365-L498 HydrophobicContact CE1-CD1 4Å; F365-L498 HydrophobicContact CE1-CD2 4.1Å; Y369-L498 HydrophobicContact CD1-CD1 4.38Å; Y369-L498 HydrophobicContact CD2-CD1 3.95Å; Y369-L498 HydrophobicContact CE1-CD1 4.35Å; Y369-L498 HydrophobicContact CE2-CD1 3.92Å; Y369-L498 HydrophobicContact CG-CD1 4.19Å; F494-L498 WeakPolarHBondContact O-CB 3.27Å; F494-L498 WeakPolarHBondContact O-CG 3.41Å; F494-L498 PolarHBondContact O-N 2.88Å |
| 499 | C | 79.5 | Confident | 76.8 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 40.3 | -176.8 | -45.2 | 0 | 0 | 0 | 0 | 111.5 | S366 L495 Q501 C502 K503 | S366-C499 WeakPolarHBondContact OG-CB 3.42Å; S366-C499 PolarHBondContact OG-SG 3.49Å; L495-C499 WeakPolarHBondContact O-CA 3.31Å; L495-C499 WeakPolarHBondContact O-CB 3.36Å; L495-C499 PolarHBondContact O-N 3.38Å; C499-Q501 VanDerWaalsContact C-N 3.26Å; C499-Q501 PolarHBondContact O-N 3.42Å; C499-C502 HydrophobicContact CB-CB 3.96Å; C499-C502 WeakPolarHBondContact O-CB 3.35Å; C499-C502 PolarHBondContact O-N 2.8Å; C499-C502 VanDerWaalsContact O-N 3.1Å; C499-K503 PolarHBondContact O-N 3.32Å |
| 500 | T | 69 | Low | 75.9 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53.1 | -44.8 | 177.6 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | D496 I497 C502 K503 T504 | D496-T500 WeakPolarHBondContact O-CG2 3.4Å; I497-T500 WeakPolarHBondContact O-CG2 3.47Å; T500-C502 VanDerWaalsContact C-N 3.34Å; T500-C502 PolarHBondContact O-N 3.42Å; T500-K503 WeakPolarHBondContact O-CB 3.06Å; T500-K503 PolarHBondContact O-N 3.46Å; T500-K503 VanDerWaalsContact O-N 3.07Å; T500-T504 PolarHBondContact O-N 3.3Å; T500-T504 PolarHBondContact O-OG1 3.31Å; T500-T504 VanDerWaalsContact O-OG1 3.11Å |
| 501 | Q | 63.1 | Low | 75.1 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 177.8 | -66.5 | -179.4 | -6.3 | 0 | 0 | 113 | N361 C499 K503 T504 H505 | N361-Q501 PolarHBondContact O-OE1 2.96Å; C499-Q501 VanDerWaalsContact C-N 3.26Å; C499-Q501 PolarHBondContact O-N 3.42Å; Q501-K503 VanDerWaalsContact C-N 3.27Å; Q501-K503 PolarHBondContact O-N 3.01Å; Q501-T504 PolarHBondContact O-N 2.94Å; Q501-H505 WeakPolarHBondContact O-CB 3.39Å; Q501-H505 PolarHBondContact O-N 3.09Å |
| 502 | C | 64.5 | Low | 74.2 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 175.6 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | C362 C499 T500 S506 | C362-C502 PolarHBondContact SG-SG 2.76Å; C499-C502 HydrophobicContact CB-CB 3.96Å; C499-C502 WeakPolarHBondContact O-CB 3.35Å; C499-C502 PolarHBondContact O-N 2.8Å; C499-C502 VanDerWaalsContact O-N 3.1Å; T500-C502 VanDerWaalsContact C-N 3.34Å; T500-C502 PolarHBondContact O-N 3.42Å; C502-S506 VanDerWaalsContact O-CB 3.31Å; C502-S506 WeakPolarHBondContact O-CB 3.39Å; C502-S506 PolarHBondContact O-N 2.65Å; C502-S506 PolarHBondContact O-OG 3.29Å |
| 503 | K | 62.5 | Low | 73.3 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -48.6 | 175.7 | -92.7 | -168.7 | 173 | -172.1 | 0 | 111.6 | D496 C499 T500 Q501 H505 S506 N507 | D496-K503 VanDerWaalsContact CG-CE 3.43Å; D496-K503 WeakPolarHBondContact OD1-CE 3.38Å; D496-K503 IonicContact OD1-NZ 3.19Å; D496-K503 PolarHBondContact OD1-NZ 3.46Å; D496-K503 IonicContact OD2-NZ 3.21Å; D496-K503 PolarHBondContact OD2-NZ 3.18Å; C499-K503 PolarHBondContact O-N 3.32Å; T500-K503 WeakPolarHBondContact O-CB 3.06Å; T500-K503 PolarHBondContact O-N 3.46Å; T500-K503 VanDerWaalsContact O-N 3.07Å; Q501-K503 VanDerWaalsContact C-N 3.27Å; Q501-K503 PolarHBondContact O-N 3.01Å; K503-H505 VanDerWaalsContact C-N 3.28Å; K503-H505 PolarHBondContact O-N 3.41Å; K503-S506 PolarHBondContact O-N 3.22Å; K503-S506 VanDerWaalsContact O-N 3.14Å; K503-S506 PolarHBondContact O-OG 3.5Å; K503-N507 WeakPolarHBondContact O-CB 3.3Å; K503-N507 PolarHBondContact O-N 2.78Å |
| 504 | T | 60.6 | Low | 72.4 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.1 | -46 | 177.5 | -50.3 | 0 | 0 | 0 | 0 | 110.4 | T500 Q501 N507 W508 | T500-T504 PolarHBondContact O-N 3.3Å; T500-T504 PolarHBondContact O-OG1 3.31Å; T500-T504 VanDerWaalsContact O-OG1 3.11Å; Q501-T504 PolarHBondContact O-N 2.94Å; T504-N507 PolarHBondContact O-N 3.1Å; T504-W508 VanDerWaalsContact O-CB 3.25Å; T504-W508 WeakPolarHBondContact O-CB 3.47Å; T504-W508 PolarHBondContact O-N 3.07Å |
| 505 | H | 64.9 | Low | 71.4 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 175.3 | -170.8 | -100.4 | 0 | 0 | 0 | 112.3 | Q501 K503 N507 W508 C509 | Q501-H505 WeakPolarHBondContact O-CB 3.39Å; Q501-H505 PolarHBondContact O-N 3.09Å; K503-H505 VanDerWaalsContact C-N 3.28Å; K503-H505 PolarHBondContact O-N 3.41Å; H505-N507 VanDerWaalsContact C-N 3.33Å; H505-N507 PolarHBondContact O-N 3.47Å; H505-W508 PolarHBondContact O-N 3.07Å; H505-C509 VanDerWaalsContact CE1-SG 3.57Å; H505-C509 PolarHBondContact O-N 3.4Å; H505-C509 PolarHBondContact O-SG 2.95Å |
| 506 | S | 66.2 | Low | 70.4 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 26% | 0.259 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 179.4 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | C502 K503 R510 | C502-S506 VanDerWaalsContact O-CB 3.31Å; C502-S506 WeakPolarHBondContact O-CB 3.39Å; C502-S506 PolarHBondContact O-N 2.65Å; C502-S506 PolarHBondContact O-OG 3.29Å; K503-S506 PolarHBondContact O-N 3.22Å; K503-S506 VanDerWaalsContact O-N 3.14Å; K503-S506 PolarHBondContact O-OG 3.5Å; S506-R510 WeakPolarHBondContact O-CB 3.39Å; S506-R510 PolarHBondContact O-N 3.31Å; S506-R510 PolarHBondContact OG-NH2 3.13Å |
| 507 | N | 67.1 | Low | 69.2 | Low | 84 Ų | 84 | 83.9 Ų | 83.9 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.2 | -44.8 | 176 | -76.3 | -9.5 | 0 | 0 | 0 | 109.7 | K503 T504 H505 C509 R510 T511 | K503-N507 WeakPolarHBondContact O-CB 3.3Å; K503-N507 PolarHBondContact O-N 2.78Å; T504-N507 PolarHBondContact O-N 3.1Å; H505-N507 VanDerWaalsContact C-N 3.33Å; H505-N507 PolarHBondContact O-N 3.47Å; N507-C509 PolarHBondContact O-N 3.42Å; N507-R510 PolarHBondContact O-N 3.3Å; N507-R510 PolarHBondContact OD1-NH2 2.65Å; N507-T511 PolarHBondContact O-N 3.48Å; N507-T511 PolarHBondContact O-OG1 2.99Å |
| 508 | W | 69 | Low | 67.8 | Low | 148 Ų | 148 | 85.3 Ų | 85.3 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57 | -47 | 173.9 | -176.7 | 84.8 | 0 | 0 | 0 | 112.1 | T504 H505 R510 T511 K512 | T504-W508 VanDerWaalsContact O-CB 3.25Å; T504-W508 WeakPolarHBondContact O-CB 3.47Å; T504-W508 PolarHBondContact O-N 3.07Å; H505-W508 PolarHBondContact O-N 3.07Å; W508-R510 PolarHBondContact O-N 3.16Å; W508-T511 PolarHBondContact O-N 3.33Å; W508-K512 HydrophobicContact CH2-CD 3.85Å; W508-K512 HydrophobicContact CZ2-CD 4.02Å; W508-K512 HydrophobicContact CZ3-CD 4.3Å; W508-K512 WeakPolarHBondContact O-CB 3.47Å; W508-K512 PolarHBondContact O-N 3.47Å |
| 509 | C | 65.8 | Low | 66.5 | Low | 43 Ų | 43 | 87.1 Ų | 87.1 | 29% | 0.291 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 175.2 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | H505 N507 K512 L513 | H505-C509 VanDerWaalsContact CE1-SG 3.57Å; H505-C509 PolarHBondContact O-N 3.4Å; H505-C509 PolarHBondContact O-SG 2.95Å; N507-C509 PolarHBondContact O-N 3.42Å; C509-K512 PolarHBondContact O-N 3.25Å; C509-L513 WeakPolarHBondContact O-CB 3.25Å; C509-L513 WeakPolarHBondContact O-CG 3.39Å; C509-L513 PolarHBondContact O-N 2.86Å |
| 510 | R | 68.8 | Low | 65.1 | Low | 128 Ų | 128 | 93.4 Ų | 93.4 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 176.4 | -89.8 | -171.9 | -68 | -82.2 | -5.6 | 112.1 | S506 N507 W508 K512 L513 N514 | S506-R510 WeakPolarHBondContact O-CB 3.39Å; S506-R510 PolarHBondContact O-N 3.31Å; S506-R510 PolarHBondContact OG-NH2 3.13Å; N507-R510 PolarHBondContact O-N 3.3Å; N507-R510 PolarHBondContact OD1-NH2 2.65Å; W508-R510 PolarHBondContact O-N 3.16Å; R510-K512 VanDerWaalsContact C-N 3.29Å; R510-K512 PolarHBondContact O-N 3.42Å; R510-L513 PolarHBondContact O-N 2.85Å; R510-N514 WeakPolarHBondContact O-CB 3.4Å; R510-N514 PolarHBondContact O-N 3.31Å |
| 511 | T | 72.2 | Confident | 64.5 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 49% | 0.485 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | N507 W508 N514 Q515 | N507-T511 PolarHBondContact O-N 3.48Å; N507-T511 PolarHBondContact O-OG1 2.99Å; W508-T511 PolarHBondContact O-N 3.33Å; T511-N514 PolarHBondContact O-N 2.94Å; T511-Q515 WeakPolarHBondContact O-CB 3.23Å; T511-Q515 PolarHBondContact O-N 2.96Å |
| 512 | K | 72.7 | Confident | 64.1 | Low | 113 Ų | 113 | 91.5 Ų | 91.5 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 177.5 | -161.2 | 170.2 | -173.8 | 177.6 | 0 | 112.6 | W508 C509 R510 T516 | W508-K512 HydrophobicContact CH2-CD 3.85Å; W508-K512 HydrophobicContact CZ2-CD 4.02Å; W508-K512 HydrophobicContact CZ3-CD 4.3Å; W508-K512 WeakPolarHBondContact O-CB 3.47Å; W508-K512 PolarHBondContact O-N 3.47Å; C509-K512 PolarHBondContact O-N 3.25Å; R510-K512 VanDerWaalsContact C-N 3.29Å; R510-K512 PolarHBondContact O-N 3.42Å; K512-T516 WeakPolarHBondContact O-CB 3.4Å; K512-T516 PolarHBondContact O-N 2.97Å; K512-T516 PolarHBondContact O-OG1 3.44Å |
| 513 | L | 69.9 | Low | 63.6 | Low | 119 Ų | 119 | 96.5 Ų | 96.5 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65 | -42.5 | 173.8 | -77.9 | 167.9 | 0 | 0 | 0 | 112.1 | C509 R510 T516 R517 | C509-L513 WeakPolarHBondContact O-CB 3.25Å; C509-L513 WeakPolarHBondContact O-CG 3.39Å; C509-L513 PolarHBondContact O-N 2.86Å; R510-L513 PolarHBondContact O-N 2.85Å; L513-T516 PolarHBondContact O-N 2.77Å; L513-R517 WeakPolarHBondContact O-CB 3.37Å; L513-R517 PolarHBondContact O-N 2.9Å |
| 514 | N | 70.4 | Confident | 63 | Low | 87 Ų | 87 | 102.2 Ų | 102.2 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 178.1 | -73.7 | -4.9 | 0 | 0 | 0 | 111.4 | R510 T511 T516 R517 D518 | R510-N514 WeakPolarHBondContact O-CB 3.4Å; R510-N514 PolarHBondContact O-N 3.31Å; T511-N514 PolarHBondContact O-N 2.94Å; N514-T516 VanDerWaalsContact C-N 3.31Å; N514-T516 PolarHBondContact O-N 3.25Å; N514-R517 WeakPolarHBondContact O-CB 3.36Å; N514-R517 PolarHBondContact O-N 2.87Å; N514-R517 VanDerWaalsContact O-N 3.16Å; N514-D518 PolarHBondContact O-N 3.32Å |
| 515 | Q | 70.1 | Confident | 62.6 | Low | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -55.7 | -47.2 | 172.9 | -85.2 | -179.5 | -29.3 | 0 | 0 | 111.4 | T511 R517 D518 T519 | T511-Q515 WeakPolarHBondContact O-CB 3.23Å; T511-Q515 PolarHBondContact O-N 2.96Å; Q515-R517 VanDerWaalsContact C-N 3.32Å; Q515-R517 PolarHBondContact O-N 3.35Å; Q515-D518 PolarHBondContact O-N 2.97Å; Q515-T519 PolarHBondContact O-N 2.91Å; Q515-T519 PolarHBondContact O-OG1 3.45Å |
| 516 | T | 65.9 | Low | 61.5 | Low | 67 Ų | 67 | 103.8 Ų | 103.8 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 177.9 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | K512 L513 N514 D518 T519 Y520 | K512-T516 WeakPolarHBondContact O-CB 3.4Å; K512-T516 PolarHBondContact O-N 2.97Å; K512-T516 PolarHBondContact O-OG1 3.44Å; L513-T516 PolarHBondContact O-N 2.77Å; N514-T516 VanDerWaalsContact C-N 3.31Å; N514-T516 PolarHBondContact O-N 3.25Å; T516-D518 PolarHBondContact O-N 3.45Å; T516-T519 PolarHBondContact O-N 3.36Å; T516-Y520 HydrophobicContact CG2-CD2 3.84Å; T516-Y520 HydrophobicContact CG2-CE2 3.66Å; T516-Y520 WeakPolarHBondContact O-CD2 3.43Å; T516-Y520 PolarHBondContact O-N 3.38Å |
| 517 | R | 59.3 | Low | 60.4 | Low | 149 Ų | 149 | 110 Ų | 110 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 178.3 | -171 | -170.1 | 67.3 | 99.2 | 13.7 | 112.2 | L513 N514 Q515 T519 Y520 V521 | L513-R517 WeakPolarHBondContact O-CB 3.37Å; L513-R517 PolarHBondContact O-N 2.9Å; N514-R517 WeakPolarHBondContact O-CB 3.36Å; N514-R517 PolarHBondContact O-N 2.87Å; N514-R517 VanDerWaalsContact O-N 3.16Å; Q515-R517 VanDerWaalsContact C-N 3.32Å; Q515-R517 PolarHBondContact O-N 3.35Å; R517-T519 VanDerWaalsContact C-N 3.34Å; R517-Y520 PolarHBondContact O-N 3.38Å; R517-V521 WeakPolarHBondContact O-CG2 3.13Å; R517-V521 PolarHBondContact O-N 3.31Å |
| 518 | D | 58 | Low | 59.1 | Low | 82 Ų | 82 | 111.2 Ų | 111.2 | 44% | 0.439 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | -179.6 | -61.8 | -19.8 | 0 | 0 | 0 | 110.9 | N514 Q515 T516 V521 S522 | N514-D518 PolarHBondContact O-N 3.32Å; Q515-D518 PolarHBondContact O-N 2.97Å; T516-D518 PolarHBondContact O-N 3.45Å; D518-V521 PolarHBondContact O-N 3.25Å; D518-S522 PolarHBondContact O-N 3.35Å |
| 519 | T | 57.4 | Low | 57.8 | Low | 86 Ų | 86 | 110.9 Ų | 110.9 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 171 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | Q515 T516 R517 S522 Q523 | Q515-T519 PolarHBondContact O-N 2.91Å; Q515-T519 PolarHBondContact O-OG1 3.45Å; T516-T519 PolarHBondContact O-N 3.36Å; R517-T519 VanDerWaalsContact C-N 3.34Å; T519-S522 PolarHBondContact O-N 3.47Å; T519-Q523 PolarHBondContact O-N 3.43Å |
| 520 | Y | 50.3 | Low | 56.3 | Low | 139 Ų | 139 | 116.2 Ų | 116.2 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.9 | -36.1 | 175.8 | -86.9 | -77.2 | 0 | 0 | 0 | 112.7 | T516 R517 Y524 | T516-Y520 HydrophobicContact CG2-CD2 3.84Å; T516-Y520 HydrophobicContact CG2-CE2 3.66Å; T516-Y520 WeakPolarHBondContact O-CD2 3.43Å; T516-Y520 PolarHBondContact O-N 3.38Å; R517-Y520 PolarHBondContact O-N 3.38Å; Y520-Y524 WeakPolarHBondContact O-CD2 3.49Å |
| 521 | V | 55.8 | Low | 54.6 | Low | 78 Ų | 78 | 114.2 Ų | 114.2 | 47% | 0.473 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.1 | -42.2 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | R517 D518 Q523 Y524 T525 | R517-V521 WeakPolarHBondContact O-CG2 3.13Å; R517-V521 PolarHBondContact O-N 3.31Å; D518-V521 PolarHBondContact O-N 3.25Å; V521-Q523 VanDerWaalsContact C-N 3.34Å; V521-Q523 PolarHBondContact O-N 2.85Å; V521-Y524 PolarHBondContact O-N 3.4Å; V521-T525 PolarHBondContact O-N 3.45Å |
| 522 | S | 54.5 | Low | 52.8 | Low | 61 Ų | 61 | 117.4 Ų | 117.4 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.6 | -40.2 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | D518 T519 Y524 T525 | D518-S522 PolarHBondContact O-N 3.35Å; T519-S522 PolarHBondContact O-N 3.47Å; S522-Y524 PolarHBondContact O-N 3.37Å; S522-T525 PolarHBondContact O-N 2.79Å; S522-T525 PolarHBondContact O-OG1 3.01Å |
| 523 | Q | 53.7 | Low | 50.7 | Low | 137 Ų | 137 | 122.6 Ų | 122.6 | 64% | 0.64 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.6 | -23.4 | 179.9 | -80.6 | -174.9 | -33.2 | 0 | 0 | 114.1 | T519 V521 | T519-Q523 PolarHBondContact O-N 3.43Å; V521-Q523 VanDerWaalsContact C-N 3.34Å; V521-Q523 PolarHBondContact O-N 2.85Å |
| 524 | Y | 50.6 | Low | 48.8 | Very low | 201 Ų | 201 | 121.6 Ų | 121.6 | 79% | 0.788 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -92.9 | -12.1 | 177.7 | -87.2 | -92.8 | 0 | 0 | 0 | 113.3 | Y520 V521 S522 | Y520-Y524 WeakPolarHBondContact O-CD2 3.49Å; V521-Y524 PolarHBondContact O-N 3.4Å; S522-Y524 PolarHBondContact O-N 3.37Å |
| 525 | T | 53 | Low | 46.8 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -90.9 | -12.5 | 177 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | V521 S522 E527 | V521-T525 PolarHBondContact O-N 3.45Å; S522-T525 PolarHBondContact O-N 2.79Å; S522-T525 PolarHBondContact O-OG1 3.01Å; T525-E527 PolarHBondContact O-N 3.33Å; T525-E527 VanDerWaalsContact O-N 3.14Å |
| 526 | D | 42 | Very low | 44.7 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 66% | 0.658 | 66% | 0.663 | S | S | * | * | trans | -86.4 | 40.8 | 179 | -65 | -24 | 0 | 0 | 0 | 112.4 | ||||
| 527 | E | 41 | Very low | 42.8 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 68% | 0.684 | S | S | * | * | trans | -71.2 | 125.9 | 162.4 | -111.3 | -175.4 | 179.1 | 0 | 0 | 108.3 | T525 T529 | T525-E527 PolarHBondContact O-N 3.33Å; T525-E527 VanDerWaalsContact O-N 3.14Å; E527-T529 PolarHBondContact O-N 3.34Å; E527-T529 VanDerWaalsContact O-N 3.07Å | ||
| 528 | P | 41.7 | Very low | 41.1 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | trans | -64.3 | 115.5 | -174.6 | 24.8 | -31.2 | 0 | 0 | 0 | 109.3 | D530 | P528-D530 PolarHBondContact O-N 3.44Š| ||
| 529 | T | 40.2 | Very low | 39.6 | Very low | 141 Ų | 141 | 132 Ų | 132 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | trans | -69 | 62.6 | 170.3 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | E527 | E527-T529 PolarHBondContact O-N 3.34Å; E527-T529 VanDerWaalsContact O-N 3.07Å | ||
| 530 | D | 33.9 | Very low | 38 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -118.6 | 51.2 | 170.4 | -82.7 | -28.1 | 0 | 0 | 0 | 109.8 | P528 | P528-D530 PolarHBondContact O-N 3.44Š| ||
| 531 | A | 34.2 | Very low | 36.8 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -161 | 138.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 532 | I | 34.1 | Very low | 35.3 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 84.5 | 70.6 | 168.8 | -42.3 | 167 | 0 | 0 | 0 | 113.9 | S534 | I532-S534 PolarHBondContact O-N 2.78Š| ||
| 533 | K | 28.7 | Very low | 34 | Very low | 223 Ų | 223 | 141.2 Ų | 141.2 | 97% | 0.97 | 77% | 0.772 | S | S | * | * | trans | -56.3 | 85.2 | 141.1 | -76.7 | 177 | 176.4 | 174.8 | 0 | 108.7 | ||||
| 534 | S | 30 | Very low | 32.8 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -101.4 | 112.2 | 162.3 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | I532 | I532-S534 PolarHBondContact O-N 2.78Š| ||
| 535 | M | 28.3 | Very low | 31.8 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | trans | -50.2 | 142.2 | 172.1 | -78.5 | 157.3 | 89.8 | 0 | 0 | 112.6 | ||||
| 536 | N | 26.1 | Very low | 30.5 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 56.7 | 101.1 | 146.6 | -70.4 | -13.3 | 0 | 0 | 0 | 118.7 | ||||
| 537 | C | 26 | Very low | 29.7 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | -150.7 | 111.1 | 119.1 | -136.9 | 0 | 0 | 0 | 0 | 109.6 | S539 | C537-S539 PolarHBondContact O-N 3.31Š| |||
| 538 | Q | 24.4 | Very low | 29 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -62.7 | 117 | 170.4 | -74.9 | 172 | -27.6 | 0 | 0 | 108.7 | ||||
| 539 | S | 25.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -128.5 | 97 | 160.1 | -74.6 | 0 | 0 | 0 | 0 | 107.3 | C537 M541 | C537-S539 PolarHBondContact O-N 3.31Å; S539-M541 PolarHBondContact O-N 2.86Å | ||
| 540 | T | 24.8 | Very low | 27.5 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -68.9 | 74.7 | 176.4 | 37.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 541 | M | 23.6 | Very low | 27.2 | Very low | 166 Ų | 166 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -93.5 | 91.4 | 159.1 | -90.6 | -170.1 | 76.4 | 0 | 0 | 108.9 | S539 L543 | S539-M541 PolarHBondContact O-N 2.86Å; M541-L543 VanDerWaalsContact C-N 3.3Å; M541-L543 PolarHBondContact O-N 3.24Å | ||
| 542 | S | 25.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -62.5 | 90 | 164 | 169.8 | 0 | 0 | 0 | 0 | 108.9 | A544 | S542-A544 PolarHBondContact O-N 3.02Š| ||
| 543 | L | 26.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | trans | -88.7 | 98.8 | 165 | -154.3 | 77.2 | 0 | 0 | 0 | 106.9 | M541 N545 | M541-L543 VanDerWaalsContact C-N 3.3Å; M541-L543 PolarHBondContact O-N 3.24Å; L543-N545 PolarHBondContact O-N 3.26Å | ||
| 544 | A | 28.1 | Very low | 26.5 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 97.6 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | S542 G546 | S542-A544 PolarHBondContact O-N 3.02Å; A544-G546 VanDerWaalsContact C-N 3.27Å; A544-G546 PolarHBondContact O-N 3.2Å | ||
| 545 | N | 29.6 | Very low | 26.5 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -67.3 | 87.9 | 165.8 | -88.1 | -18.5 | 0 | 0 | 0 | 108.5 | L543 S547 | L543-N545 PolarHBondContact O-N 3.26Å; N545-S547 PolarHBondContact O-N 3.47Å | ||
| 546 | G | 26 | Very low | 26.5 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -68.7 | 84 | 164 | 0 | 0 | 0 | 0 | 0 | 109.6 | A544 I548 | A544-G546 VanDerWaalsContact C-N 3.27Å; A544-G546 PolarHBondContact O-N 3.2Å; G546-I548 PolarHBondContact O-N 3.38Å | ||
| 547 | S | 26.3 | Very low | 26.7 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -65.9 | 107.8 | 166.1 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | N545 S549 | N545-S547 PolarHBondContact O-N 3.47Å; S547-S549 PolarHBondContact O-N 3.22Å | ||
| 548 | I | 25.7 | Very low | 27 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 96.2 | 172 | -62.1 | 172.8 | 0 | 0 | 0 | 107.1 | G546 Y550 | G546-I548 PolarHBondContact O-N 3.38Å; I548-Y550 PolarHBondContact O-N 3.46Å | ||
| 549 | S | 25.9 | Very low | 27.4 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | -70.4 | 115.9 | 171.7 | -42.5 | 0 | 0 | 0 | 0 | 109.1 | S547 T551 | S547-S549 PolarHBondContact O-N 3.22Å; S549-T551 PolarHBondContact O-N 3.27Å | ||
| 550 | Y | 24.8 | Very low | 27.9 | Very low | 219 Ų | 219 | 141.5 Ų | 141.5 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -76 | 100.9 | 169.3 | -73.3 | -92.4 | 0 | 0 | 0 | 108.8 | I548 E552 | I548-Y550 PolarHBondContact O-N 3.46Å; Y550-E552 PolarHBondContact O-N 3.33Å | ||
| 551 | T | 27.3 | Very low | 28.2 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -83 | 105 | 165.2 | 26.4 | 0 | 0 | 0 | 0 | 109.2 | S549 H553 | S549-T551 PolarHBondContact O-N 3.27Å; T551-H553 PolarHBondContact O-N 3.32Å; T551-H553 VanDerWaalsContact O-N 3.11Å | ||
| 552 | E | 26.1 | Very low | 28.4 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -63.8 | 102.3 | 166.8 | -102.2 | 179.5 | 167.3 | 0 | 0 | 109.4 | Y550 K554 | Y550-E552 PolarHBondContact O-N 3.33Å; E552-K554 PolarHBondContact O-N 3.44Å | ||
| 553 | H | 28.5 | Very low | 28.9 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -71.4 | 95 | 165.1 | -84.4 | -79.6 | 0 | 0 | 0 | 109.1 | T551 Y555 | T551-H553 PolarHBondContact O-N 3.32Å; T551-H553 VanDerWaalsContact O-N 3.11Å; H553-Y555 PolarHBondContact O-N 2.94Å | ||
| 554 | K | 27.6 | Very low | 29 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | trans | -67.7 | 111.4 | 162.2 | -86.8 | 179.3 | 176.8 | 174.9 | 0 | 108.5 | E552 S556 | E552-K554 PolarHBondContact O-N 3.44Å; K554-S556 PolarHBondContact O-N 2.95Å; K554-S556 VanDerWaalsContact O-N 3.17Å | ||
| 555 | Y | 29.2 | Very low | 29.1 | Very low | 214 Ų | 214 | 144.8 Ų | 144.8 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -68.1 | 103.2 | 165.1 | -77.3 | -91.9 | 0 | 0 | 0 | 108.6 | H553 L557 | H553-Y555 PolarHBondContact O-N 2.94Å; Y555-L557 PolarHBondContact O-N 3.38Å | ||
| 556 | S | 29.9 | Very low | 29 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -78.6 | 112.4 | 164 | -61.4 | 0 | 0 | 0 | 0 | 107.6 | K554 E558 | K554-S556 PolarHBondContact O-N 2.95Å; K554-S556 VanDerWaalsContact O-N 3.17Å; S556-E558 PolarHBondContact O-N 3.21Å | ||
| 557 | L | 29.9 | Very low | 29.2 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -66.5 | 112.5 | 168.6 | -84.4 | 102.2 | 0 | 0 | 0 | 108.6 | Y555 S559 | Y555-L557 PolarHBondContact O-N 3.38Å; L557-S559 PolarHBondContact O-N 3.5Å | ||
| 558 | E | 32.4 | Very low | 29.4 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -72.4 | 114.7 | 163.6 | -79.1 | 176.9 | 156.1 | 0 | 0 | 108.7 | S556 | S556-E558 PolarHBondContact O-N 3.21Š| ||
| 559 | S | 31.1 | Very low | 29.6 | Very low | 104 Ų | 104 | 152.9 Ų | 152.9 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -70.9 | 141 | 170.4 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | L557 S561 | L557-S559 PolarHBondContact O-N 3.5Å; S559-S561 PolarHBondContact O-N 3.36Å | ||
| 560 | P | 36.2 | Very low | 29.9 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | -69.9 | 128.7 | -176.8 | -7 | 22.2 | 0 | 0 | 0 | 111.2 | S562 | P560-S562 PolarHBondContact O-N 2.79Š| ||
| 561 | S | 32.7 | Very low | 30.3 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -63.9 | 113.3 | 165.8 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | S559 | S559-S561 PolarHBondContact O-N 3.36Š| ||
| 562 | S | 25.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 85% | 0.849 | S | S | * | * | trans | -91.2 | 152.8 | 157.2 | 25.3 | 0 | 0 | 0 | 0 | 107.6 | P560 | P560-S562 PolarHBondContact O-N 2.79Š| ||
| 563 | P | 37.3 | Very low | 31 | Very low | 201 Ų | 201 | 153.3 Ų | 153.3 | 100% | 1.305 | 85% | 0.851 | S | S | * | * | cis | -105.9 | 0 | 33.4 | 38.2 | -31.6 | 0 | 0 | 0 | 116 |
Retrieved 563 of 563 residues in 146.8 ms
(Link to these results)