| 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 | 59.9 | Low | 74.9 | Confident | 209 Ų | 209 | 120.9 Ų | 120.9 | 100% | 1.03 | 59% | 0.592 | S | S | * | * | 0 | -44.5 | 0 | -83.2 | -176.8 | -171 | 0 | 0 | 113.2 | Y3 K4 N5 | M1-Y3 PolarHBondContact O-N 3.36Å; M1-K4 PolarHBondContact O-N 2.95Å; M1-K4 VanDerWaalsContact O-N 3.14Å; M1-N5 PolarHBondContact O-N 3.31Å | |||
| 2 | F | 67.6 | Low | 75.4 | Confident | 176 Ų | 176 | 118.8 Ų | 118.8 | 77% | 0.772 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -52.5 | -45.8 | -178.6 | -108.6 | -90.7 | 0 | 0 | 0 | 114.9 | K4 N5 I6 | F2-K4 VanDerWaalsContact C-N 3.33Å; F2-K4 PolarHBondContact O-N 3.3Å; F2-N5 PolarHBondContact O-N 3.21Å; F2-I6 WeakPolarHBondContact O-CG1 3.27Å; F2-I6 PolarHBondContact O-N 3.4Å |
| 3 | Y | 68 | Low | 75.8 | Confident | 187 Ų | 187 | 118.2 Ų | 118.2 | 73% | 0.733 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -34.3 | 179.5 | -109.4 | -89 | 0 | 0 | 0 | 114.1 | M1 I6 I7 | M1-Y3 PolarHBondContact O-N 3.36Å; Y3-I6 PolarHBondContact O-N 2.97Å; Y3-I7 WeakPolarHBondContact O-CG1 3.31Å; Y3-I7 PolarHBondContact O-N 3Å |
| 4 | K | 73.9 | Confident | 76.1 | Confident | 166 Ų | 166 | 116.1 Ų | 116.1 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -38.9 | -177.9 | -150.6 | 178.6 | -175.9 | -176.6 | 0 | 110.9 | M1 F2 I7 T8 | M1-K4 PolarHBondContact O-N 2.95Å; M1-K4 VanDerWaalsContact O-N 3.14Å; F2-K4 VanDerWaalsContact C-N 3.33Å; F2-K4 PolarHBondContact O-N 3.3Å; K4-I7 PolarHBondContact O-N 3.41Å; K4-T8 PolarHBondContact O-N 3.17Å; K4-T8 VanDerWaalsContact O-N 3.09Å; K4-T8 PolarHBondContact O-OG1 3.49Å |
| 5 | N | 74.8 | Confident | 76.3 | Confident | 108 Ų | 108 | 114.8 Ų | 114.8 | 58% | 0.578 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.6 | -36.7 | 176.1 | -73.7 | -9.9 | 0 | 0 | 0 | 112.5 | M1 F2 T8 S9 | M1-N5 PolarHBondContact O-N 3.31Å; F2-N5 PolarHBondContact O-N 3.21Å; N5-T8 WeakPolarHBondContact CA-OG1 3.4Å; N5-T8 PolarHBondContact O-OG1 3.33Å; N5-S9 WeakPolarHBondContact O-CB 3.44Å; N5-S9 PolarHBondContact O-N 3.46Å; N5-S9 PolarHBondContact O-OG 3.19Å |
| 6 | I | 79 | Confident | 76.3 | Confident | 84 Ų | 84 | 113 Ų | 113 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.7 | -43 | 176 | -66.1 | 167.6 | 0 | 0 | 0 | 110.4 | F2 Y3 S9 I10 | F2-I6 WeakPolarHBondContact O-CG1 3.27Å; F2-I6 PolarHBondContact O-N 3.4Å; Y3-I6 PolarHBondContact O-N 2.97Å; I6-S9 PolarHBondContact O-N 3.44Å; I6-I10 HydrophobicContact CG2-CD1 3.77Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 VanDerWaalsContact O-CG1 3.27Å; I6-I10 WeakPolarHBondContact O-CG1 3.46Å; I6-I10 PolarHBondContact O-N 3.01Å |
| 7 | I | 80.8 | Confident | 76.2 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -43.9 | 178.9 | -65.7 | 169 | 0 | 0 | 0 | 111.3 | Y3 K4 S9 I10 I11 | Y3-I7 WeakPolarHBondContact O-CG1 3.31Å; Y3-I7 PolarHBondContact O-N 3Å; K4-I7 PolarHBondContact O-N 3.41Å; I7-S9 PolarHBondContact O-N 3.14Å; I7-I10 PolarHBondContact O-N 3.09Å; I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.37Å; I7-I11 PolarHBondContact O-N 3.41Å |
| 8 | T | 78.7 | Confident | 76.1 | Confident | 69 Ų | 69 | 113.9 Ų | 113.9 | 42% | 0.423 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -40 | 176.2 | 24.9 | 0 | 0 | 0 | 0 | 112.4 | K4 N5 I11 I12 | K4-T8 PolarHBondContact O-N 3.17Å; K4-T8 VanDerWaalsContact O-N 3.09Å; K4-T8 PolarHBondContact O-OG1 3.49Å; N5-T8 WeakPolarHBondContact CA-OG1 3.4Å; N5-T8 PolarHBondContact O-OG1 3.33Å; T8-I11 PolarHBondContact O-N 3.29Å; T8-I12 VanDerWaalsContact O-CG1 3.29Å; T8-I12 WeakPolarHBondContact O-CG1 3.27Å; T8-I12 PolarHBondContact O-N 2.85Å |
| 9 | S | 77.8 | Confident | 75.8 | Confident | 67 Ų | 67 | 113.6 Ų | 113.6 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -39.7 | 175.1 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | N5 I6 I7 I12 I13 | N5-S9 WeakPolarHBondContact O-CB 3.44Å; N5-S9 PolarHBondContact O-N 3.46Å; N5-S9 PolarHBondContact O-OG 3.19Å; I6-S9 PolarHBondContact O-N 3.44Å; I7-S9 PolarHBondContact O-N 3.14Å; S9-I12 PolarHBondContact O-N 3.38Å; S9-I13 WeakPolarHBondContact O-CD1 3.41Å; S9-I13 WeakPolarHBondContact O-CG1 3.21Å; S9-I13 PolarHBondContact O-N 2.87Å |
| 10 | I | 81.6 | Confident | 75 | Confident | 87 Ų | 87 | 112.9 Ų | 112.9 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.3 | -42 | 175.7 | -68.8 | 167.8 | 0 | 0 | 0 | 111 | I6 I7 I13 I14 | I6-I10 HydrophobicContact CG2-CD1 3.77Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 VanDerWaalsContact O-CG1 3.27Å; I6-I10 WeakPolarHBondContact O-CG1 3.46Å; I6-I10 PolarHBondContact O-N 3.01Å; I7-I10 PolarHBondContact O-N 3.09Å; I10-I13 PolarHBondContact O-N 3.24Å; I10-I14 HydrophobicContact CG2-CD1 3.73Å; I10-I14 HydrophobicContact CG2-CG1 4.37Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.16Å; I10-I14 PolarHBondContact O-N 2.79Å |
| 11 | I | 81.6 | Confident | 74.3 | Confident | 85 Ų | 85 | 114 Ų | 114 | 44% | 0.436 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -43.1 | 177.6 | -69.1 | 168.9 | 0 | 0 | 0 | 111 | I7 T8 I14 I15 | I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.37Å; I7-I11 PolarHBondContact O-N 3.41Å; T8-I11 PolarHBondContact O-N 3.29Å; I11-I14 PolarHBondContact O-N 3.43Å; I11-I15 HydrophobicContact CG2-CD1 3.71Å; I11-I15 HydrophobicContact CG2-CG1 4.34Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.2Å; I11-I15 PolarHBondContact O-N 3.47Å |
| 12 | I | 80.8 | Confident | 74.1 | Confident | 96 Ų | 96 | 108 Ų | 108 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 176.9 | -67.3 | 166.4 | 0 | 0 | 0 | 110.4 | T8 S9 I14 I15 D16 | T8-I12 VanDerWaalsContact O-CG1 3.29Å; T8-I12 WeakPolarHBondContact O-CG1 3.27Å; T8-I12 PolarHBondContact O-N 2.85Å; S9-I12 PolarHBondContact O-N 3.38Å; I12-I14 VanDerWaalsContact C-N 3.31Å; I12-I14 PolarHBondContact O-N 2.83Å; I12-I15 PolarHBondContact O-N 3.5Å; I12-D16 WeakPolarHBondContact O-CB 3.41Å; I12-D16 PolarHBondContact O-N 3.39Å |
| 13 | I | 80.3 | Confident | 73.5 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -38.8 | 176.8 | -67.7 | 165 | 0 | 0 | 0 | 111.3 | S9 I10 Y17 | S9-I13 WeakPolarHBondContact O-CD1 3.41Å; S9-I13 WeakPolarHBondContact O-CG1 3.21Å; S9-I13 PolarHBondContact O-N 2.87Å; I10-I13 PolarHBondContact O-N 3.24Å; I13-Y17 WeakPolarHBondContact O-CB 3.2Å; I13-Y17 PolarHBondContact O-N 3.22Å |
| 14 | I | 80.2 | Confident | 72.7 | Confident | 90 Ų | 90 | 101.9 Ų | 101.9 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 176.3 | -68.8 | 168.1 | 0 | 0 | 0 | 110.9 | I10 I11 I12 Y17 I18 | I10-I14 HydrophobicContact CG2-CD1 3.73Å; I10-I14 HydrophobicContact CG2-CG1 4.37Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.16Å; I10-I14 PolarHBondContact O-N 2.79Å; I11-I14 PolarHBondContact O-N 3.43Å; I12-I14 VanDerWaalsContact C-N 3.31Å; I12-I14 PolarHBondContact O-N 2.83Å; I14-Y17 PolarHBondContact O-N 2.88Å; I14-I18 HydrophobicContact CG2-CD1 3.7Å; I14-I18 HydrophobicContact CG2-CG1 4.37Å; I14-I18 WeakPolarHBondContact O-CB 3.35Å; I14-I18 WeakPolarHBondContact O-CG1 3.18Å; I14-I18 PolarHBondContact O-N 2.91Å |
| 15 | I | 78.9 | Confident | 71.3 | Confident | 96 Ų | 96 | 98.5 Ų | 98.5 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.2 | -69 | 168.8 | 0 | 0 | 0 | 110.3 | I11 I12 I18 H19 | I11-I15 HydrophobicContact CG2-CD1 3.71Å; I11-I15 HydrophobicContact CG2-CG1 4.34Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.2Å; I11-I15 PolarHBondContact O-N 3.47Å; I12-I15 PolarHBondContact O-N 3.5Å; I15-I18 PolarHBondContact O-N 2.81Å; I15-H19 WeakPolarHBondContact O-CB 3.28Å; I15-H19 PolarHBondContact O-N 3.29Å |
| 16 | D | 77 | Confident | 69.8 | Low | 86 Ų | 86 | 99.5 Ų | 99.5 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 177.5 | -74.3 | -21.6 | 0 | 0 | 0 | 111.4 | I12 H19 L20 | I12-D16 WeakPolarHBondContact O-CB 3.41Å; I12-D16 PolarHBondContact O-N 3.39Å; D16-H19 PolarHBondContact O-N 2.86Å; D16-L20 VanDerWaalsContact O-CB 3.28Å; D16-L20 WeakPolarHBondContact O-CB 3.29Å; D16-L20 PolarHBondContact O-N 2.83Å |
| 17 | Y | 74.3 | Confident | 68.2 | Low | 154 Ų | 154 | 101.2 Ų | 101.2 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 174.4 | -168.9 | -93.8 | 0 | 0 | 0 | 111.5 | I13 I14 H19 L20 Y21 | I13-Y17 WeakPolarHBondContact O-CB 3.2Å; I13-Y17 PolarHBondContact O-N 3.22Å; I14-Y17 PolarHBondContact O-N 2.88Å; Y17-H19 VanDerWaalsContact C-N 3.33Å; Y17-H19 PolarHBondContact O-N 3.38Å; Y17-L20 PolarHBondContact O-N 3.27Å; Y17-Y21 HydrophobicContact CE1-CD2 4.08Å; Y17-Y21 WeakPolarHBondContact O-CB 3.4Å; Y17-Y21 PolarHBondContact O-N 3.36Å |
| 18 | I | 74.1 | Confident | 66.3 | Low | 88 Ų | 88 | 102 Ų | 102 | 45% | 0.451 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 173.9 | -69.5 | 166.8 | 0 | 0 | 0 | 110.5 | I14 I15 Y21 N22 | I14-I18 HydrophobicContact CG2-CD1 3.7Å; I14-I18 HydrophobicContact CG2-CG1 4.37Å; I14-I18 WeakPolarHBondContact O-CB 3.35Å; I14-I18 WeakPolarHBondContact O-CG1 3.18Å; I14-I18 PolarHBondContact O-N 2.91Å; I15-I18 PolarHBondContact O-N 2.81Å; I18-Y21 PolarHBondContact O-N 3.1Å; I18-N22 WeakPolarHBondContact CG2-ND2 3.34Å; I18-N22 VanDerWaalsContact O-CB 3.25Å; I18-N22 WeakPolarHBondContact O-CB 3.46Å; I18-N22 VanDerWaalsContact O-CG 3.27Å; I18-N22 PolarHBondContact O-N 2.81Å; I18-N22 PolarHBondContact O-ND2 3.38Å |
| 19 | H | 69.9 | Low | 64.4 | Low | 109 Ų | 109 | 102.5 Ų | 102.5 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 179.6 | -152.4 | -30.8 | 0 | 0 | 0 | 112.1 | I15 D16 Y17 Q23 | I15-H19 WeakPolarHBondContact O-CB 3.28Å; I15-H19 PolarHBondContact O-N 3.29Å; D16-H19 PolarHBondContact O-N 2.86Å; Y17-H19 VanDerWaalsContact C-N 3.33Å; Y17-H19 PolarHBondContact O-N 3.38Å; H19-Q23 WeakPolarHBondContact O-CB 3.28Å; H19-Q23 PolarHBondContact O-N 2.91Å |
| 20 | L | 61.4 | Low | 62.6 | Low | 99 Ų | 99 | 103.2 Ų | 103.2 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 172.9 | -87.5 | 153.9 | 0 | 0 | 0 | 112.2 | D16 Y17 K24 | D16-L20 VanDerWaalsContact O-CB 3.28Å; D16-L20 WeakPolarHBondContact O-CB 3.29Å; D16-L20 PolarHBondContact O-N 2.83Å; Y17-L20 PolarHBondContact O-N 3.27Å; L20-K24 WeakPolarHBondContact O-CB 3.42Å; L20-K24 PolarHBondContact O-N 2.99Å |
| 21 | Y | 60.5 | Low | 60.5 | Low | 135 Ų | 135 | 104.7 Ų | 104.7 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 175.7 | -150.6 | -91.8 | 0 | 0 | 0 | 110.9 | Y17 I18 K24 L25 | Y17-Y21 HydrophobicContact CE1-CD2 4.08Å; Y17-Y21 WeakPolarHBondContact O-CB 3.4Å; Y17-Y21 PolarHBondContact O-N 3.36Å; I18-Y21 PolarHBondContact O-N 3.1Å; Y21-K24 PolarHBondContact O-N 3.37Å; Y21-L25 HydrophobicContact CD1-CD1 3.85Å; Y21-L25 HydrophobicContact CE1-CD1 3.58Å; Y21-L25 WeakPolarHBondContact O-CB 3.14Å; Y21-L25 PolarHBondContact O-N 3.4Å |
| 22 | N | 54.8 | Low | 58.5 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 172.7 | -77.5 | -30.7 | 0 | 0 | 0 | 111.9 | I18 L25 L26 | I18-N22 WeakPolarHBondContact CG2-ND2 3.34Å; I18-N22 VanDerWaalsContact O-CB 3.25Å; I18-N22 WeakPolarHBondContact O-CB 3.46Å; I18-N22 VanDerWaalsContact O-CG 3.27Å; I18-N22 PolarHBondContact O-N 2.81Å; I18-N22 PolarHBondContact O-ND2 3.38Å; N22-L25 PolarHBondContact O-N 2.93Å; N22-L26 VanDerWaalsContact O-CB 3.32Å; N22-L26 WeakPolarHBondContact O-CB 3.42Å; N22-L26 WeakPolarHBondContact O-CD1 3.41Å; N22-L26 VanDerWaalsContact O-CG 3.3Å; N22-L26 WeakPolarHBondContact O-CG 3.28Å; N22-L26 PolarHBondContact O-N 3.44Å |
| 23 | Q | 54.8 | Low | 56.4 | Low | 100 Ų | 100 | 109 Ų | 109 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -38.8 | 173 | -83.3 | -177.5 | -9.9 | 0 | 0 | 112.4 | H19 L26 I27 | H19-Q23 WeakPolarHBondContact O-CB 3.28Å; H19-Q23 PolarHBondContact O-N 2.91Å; Q23-L26 PolarHBondContact O-N 2.93Å; Q23-I27 WeakPolarHBondContact O-CB 3.25Å; Q23-I27 WeakPolarHBondContact O-CD1 3.35Å; Q23-I27 WeakPolarHBondContact O-CG1 3.4Å; Q23-I27 PolarHBondContact O-N 3.22Å |
| 24 | K | 50.4 | Low | 54.3 | Low | 134 Ų | 134 | 110.2 Ų | 110.2 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.2 | -33 | 173.8 | -82.1 | -176.4 | 174.4 | -179.8 | 0 | 112.8 | L20 Y21 L26 I27 I28 | L20-K24 WeakPolarHBondContact O-CB 3.42Å; L20-K24 PolarHBondContact O-N 2.99Å; Y21-K24 PolarHBondContact O-N 3.37Å; K24-L26 VanDerWaalsContact C-N 3.32Å; K24-I27 PolarHBondContact O-N 2.89Å; K24-I28 HydrophobicContact CB-CD1 4.31Å; K24-I28 VanDerWaalsContact O-CB 3.28Å; K24-I28 WeakPolarHBondContact O-CB 3.36Å; K24-I28 WeakPolarHBondContact O-CD1 3.43Å; K24-I28 WeakPolarHBondContact O-CG1 3.38Å; K24-I28 PolarHBondContact O-N 3.27Å |
| 25 | L | 45.4 | Very low | 52.3 | Low | 95 Ų | 95 | 114.9 Ų | 114.9 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.5 | -32.8 | 170.1 | -120.6 | 84.5 | 0 | 0 | 0 | 112.1 | Y21 N22 | Y21-L25 HydrophobicContact CD1-CD1 3.85Å; Y21-L25 HydrophobicContact CE1-CD1 3.58Å; Y21-L25 WeakPolarHBondContact O-CB 3.14Å; Y21-L25 PolarHBondContact O-N 3.4Å; N22-L25 PolarHBondContact O-N 2.93Å |
| 26 | L | 43.5 | Very low | 50.5 | Low | 130 Ų | 130 | 116 Ų | 116 | 68% | 0.681 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.2 | -29.5 | 175 | -81.6 | 158.9 | 0 | 0 | 0 | 112.8 | N22 Q23 K24 | N22-L26 VanDerWaalsContact O-CB 3.32Å; N22-L26 WeakPolarHBondContact O-CB 3.42Å; N22-L26 WeakPolarHBondContact O-CD1 3.41Å; N22-L26 VanDerWaalsContact O-CG 3.3Å; N22-L26 WeakPolarHBondContact O-CG 3.28Å; N22-L26 PolarHBondContact O-N 3.44Å; Q23-L26 PolarHBondContact O-N 2.93Å; K24-L26 VanDerWaalsContact C-N 3.32Å |
| 27 | I | 45.3 | Very low | 49.1 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -92.4 | -26.9 | -177.7 | -62.8 | 163.3 | 0 | 0 | 0 | 112.2 | Q23 K24 | Q23-I27 WeakPolarHBondContact O-CB 3.25Å; Q23-I27 WeakPolarHBondContact O-CD1 3.35Å; Q23-I27 WeakPolarHBondContact O-CG1 3.4Å; Q23-I27 PolarHBondContact O-N 3.22Å; K24-I27 PolarHBondContact O-N 2.89Å |
| 28 | I | 40.4 | Very low | 48.5 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 56% | 0.564 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -81.6 | -14.7 | 178.7 | -63.9 | 167.7 | 0 | 0 | 0 | 112.4 | K24 | K24-I28 HydrophobicContact CB-CD1 4.31Å; K24-I28 VanDerWaalsContact O-CB 3.28Å; K24-I28 WeakPolarHBondContact O-CB 3.36Å; K24-I28 WeakPolarHBondContact O-CD1 3.43Å; K24-I28 WeakPolarHBondContact O-CG1 3.38Å; K24-I28 PolarHBondContact O-N 3.27Å |
| 29 | N | 38.9 | Very low | 47.7 | Very low | 79 Ų | 79 | 109.5 Ų | 109.5 | 42% | 0.422 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -97 | -10.9 | 176.2 | -93.1 | -25.5 | 0 | 0 | 0 | 115.6 | T31 L33 | N29-T31 VanDerWaalsContact C-N 3.28Å; N29-T31 PolarHBondContact O-N 2.82Å; N29-L33 HydrophobicContact CB-CD1 4.02Å; N29-L33 HydrophobicContact CB-CG 4.45Å; N29-L33 WeakPolarHBondContact O-CB 3.44Å; N29-L33 WeakPolarHBondContact O-CD1 3.32Å; N29-L33 WeakPolarHBondContact O-CG 3.3Å; N29-L33 PolarHBondContact O-N 3.35Å |
| 30 | A | 39.5 | Very low | 48 | Very low | 81 Ų | 81 | 104.5 Ų | 104.5 | 67% | 0.669 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -22 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 31 | T | 39.3 | Very low | 49 | Very low | 119 Ų | 119 | 99.8 Ų | 99.8 | 73% | 0.73 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -4.6 | -178.6 | 48.7 | 0 | 0 | 0 | 0 | 114 | N29 | N29-T31 VanDerWaalsContact C-N 3.28Å; N29-T31 PolarHBondContact O-N 2.82Å |
| 32 | Q | 38.8 | Very low | 50.1 | Low | 148 Ų | 148 | 96.8 Ų | 96.8 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -0.3 | 174.7 | -78.1 | -171.9 | -13.2 | 0 | 0 | 115.1 | T34 | Q32-T34 PolarHBondContact O-N 2.8Å; Q32-T34 VanDerWaalsContact O-N 3.1Å |
| 33 | L | 36.3 | Very low | 51.4 | Low | 123 Ų | 123 | 99.7 Ų | 99.7 | 64% | 0.644 | 50% | 0.496 | S | S | * | . | trans | -83.7 | 56.4 | 167.8 | -78.1 | 166.1 | 0 | 0 | 0 | 112.3 | N29 R35 | N29-L33 HydrophobicContact CB-CD1 4.02Å; N29-L33 HydrophobicContact CB-CG 4.45Å; N29-L33 WeakPolarHBondContact O-CB 3.44Å; N29-L33 WeakPolarHBondContact O-CD1 3.32Å; N29-L33 WeakPolarHBondContact O-CG 3.3Å; N29-L33 PolarHBondContact O-N 3.35Å; L33-R35 PolarHBondContact O-N 3.23Å | ||
| 34 | T | 35.8 | Very low | 52.8 | Low | 135 Ų | 135 | 102.1 Ų | 102.1 | 83% | 0.828 | 51% | 0.512 | S | S | * | . | trans | -84.5 | 25.4 | 166.9 | 44.3 | 0 | 0 | 0 | 0 | 112.8 | Q32 | Q32-T34 PolarHBondContact O-N 2.8Å; Q32-T34 VanDerWaalsContact O-N 3.1Å | ||
| 35 | R | 37.8 | Very low | 54.5 | Low | 188 Ų | 188 | 97 Ų | 97 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | trans | -128.8 | 114.1 | -177.3 | -102 | 179 | 179.5 | 168.2 | 2 | 107.6 | L33 | L33-R35 PolarHBondContact O-N 3.23Š| ||
| 36 | Y | 41.8 | Very low | 56.7 | Low | 119 Ų | 119 | 94.8 Ų | 94.8 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | cis | -152.3 | 140.6 | 34.3 | -89.5 | -97 | 0 | 0 | 0 | 109.3 | R38 E192 | Y36-R38 WeakPolarHBondContact O-CG 3.48Å; Y36-E192 WeakPolarHBondContact CD1-OE1 3.48Å; Y36-E192 WeakPolarHBondContact CE1-OE1 3.44Å; Y36-E192 WeakPolarHBondContact CE1-OE2 3.34Å | ||
| 37 | Q | 48.2 | Very low | 59.1 | Low | 131 Ų | 131 | 91 Ų | 91 | 61% | 0.612 | 46% | 0.46 | S | S | * | . | trans | -72.6 | 149.2 | 168.3 | -48.5 | 171.7 | -22.7 | 0 | 0 | 108.4 | L197 | Q37-L197 HydrophobicContact CB-CB 3.44Å; Q37-L197 VanDerWaalsContact CB-CB 3.44Å; Q37-L197 HydrophobicContact CB-CD1 3.59Å; Q37-L197 HydrophobicContact CB-CG 4.01Å; Q37-L197 WeakPolarHBondContact O-CD2 2.93Å | ||
| 38 | R | 61 | Low | 61.5 | Low | 60 Ų | 60 | 85.7 Ų | 85.7 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | trans | -126.1 | 139.7 | -156 | -71.7 | 169.7 | -169.1 | 155.3 | -6.9 | 114.3 | Y36 R165 L197 T198 R200 | Y36-R38 WeakPolarHBondContact O-CG 3.48Å; R38-R165 VanDerWaalsContact CB-NH2 3.28Å; R38-R165 VanDerWaalsContact CG-NH2 3.34Å; R38-L197 CarbonylContact O-C 3.45Å; R38-L197 WeakPolarHBondContact O-CA 3.25Å; R38-T198 PolarHBondContact O-N 3.17Å; R38-T198 PolarHBondContact O-OG1 2.88Å; R38-R200 VanDerWaalsContact CB-O 3.31Å; R38-R200 WeakPolarHBondContact CB-O 3.35Å; R38-R200 WeakPolarHBondContact CD-O 3.17Å | ||
| 39 | S | 57.7 | Low | 63.9 | Low | 2 Ų | 2 | 84.1 Ų | 84.1 | 1% | 0.014 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 142.3 | -167.9 | -171.8 | 0 | 0 | 0 | 0 | 115.6 | S41 M160 S195 I196 | S39-S41 PolarHBondContact OG-O 3.02Å; S39-M160 WeakPolarHBondContact OG-CE 3.5Å; S39-S195 VanDerWaalsContact OG-CB 3.24Å; S39-S195 WeakPolarHBondContact OG-CB 3Å; S39-I196 CarbonylContact C-O 3.42Å; S39-I196 WeakPolarHBondContact CA-O 3.18Å |
| 40 | L | 75.9 | Confident | 66.4 | Low | 4 Ų | 4 | 87.2 Ų | 87.2 | 2% | 0.021 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | -32.5 | 162 | -177.8 | 65.5 | 0 | 0 | 0 | 113.5 | V159 M160 I196 T198 G249 L253 | L40-V159 HydrophobicContact CD1-CB 4.35Å; L40-V159 HydrophobicContact CD1-CG1 3.59Å; L40-V159 HydrophobicContact CD1-CG2 4Å; L40-V159 HydrophobicContact CD2-CG2 4.22Å; L40-V159 HydrophobicContact CG-CG1 4.24Å; L40-V159 HydrophobicContact CG-CG2 4Å; L40-V159 WeakPolarHBondContact O-CA 3.38Å; L40-M160 PolarHBondContact O-N 2.89Å; L40-I196 PolarHBondContact N-O 2.95Å; L40-T198 HydrophobicContact CB-CG2 3.63Å; L40-T198 HydrophobicContact CD2-CG2 4.1Å; L40-G249 VanDerWaalsContact CD2-CA 3.44Å; L40-G249 VanDerWaalsContact CD2-O 3.24Å; L40-G249 WeakPolarHBondContact CD2-O 3.5Å; L40-L253 HydrophobicContact CD2-CB 4.23Å; L40-L253 HydrophobicContact CD2-CD2 4.23Å |
| 41 | S | 83.6 | Confident | 69 | Low | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 173.1 | -165.7 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | S39 I45 G158 M160 S195 I196 | S39-S41 PolarHBondContact OG-O 3.02Å; S41-I45 WeakPolarHBondContact OG-CG2 3.31Å; S41-G158 WeakPolarHBondContact CA-O 3.01Å; S41-G158 WeakPolarHBondContact CB-O 3.35Å; S41-G158 PolarHBondContact OG-O 2.85Å; S41-M160 VanDerWaalsContact C-CE 3.41Å; S41-M160 VanDerWaalsContact C-SD 3.51Å; S41-M160 WeakPolarHBondContact O-CE 3.45Å; S41-S195 CarbonylContact O-C 3.54Å; S41-S195 WeakPolarHBondContact O-CA 3.32Å; S41-I196 PolarHBondContact O-N 3.12Å |
| 42 | M | 82.4 | Confident | 71.7 | Confident | 71 Ų | 71 | 81.6 Ų | 81.6 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 141.1 | 172.3 | -65.7 | -165 | -71.3 | 0 | 0 | 111.3 | N44 I45 L127 M160 Q194 I196 | M42-N44 PolarHBondContact O-N 3.2Å; M42-N44 VanDerWaalsContact O-N 3.14Å; M42-I45 HydrophobicContact CB-CB 4.48Å; M42-I45 HydrophobicContact CE-CD1 4.27Å; M42-I45 WeakPolarHBondContact O-CB 3.49Å; M42-I45 WeakPolarHBondContact O-CG2 3.48Å; M42-I45 PolarHBondContact O-N 2.73Å; M42-L127 HydrophobicContact CE-CD1 3.95Å; M42-M160 HydrophobicContact CB-SD 4.19Å; M42-M160 HydrophobicContact CG-CG 4.39Å; M42-M160 HydrophobicContact CG-SD 3.21Å; M42-M160 WeakPolarHBondContact CG-SD 3.38Å; M42-M160 PolarHBondContact N-SD 3.14Å; M42-M160 HydrophobicContact SD-SD 4.49Å; M42-Q194 CarbonylContact C-O 3.52Å; M42-Q194 VanDerWaalsContact CA-O 3.3Å; M42-Q194 WeakPolarHBondContact CA-O 3.07Å; M42-I196 VanDerWaalsContact O-CD1 3.23Å; M42-I196 WeakPolarHBondContact O-CD1 3.35Å |
| 43 | K | 81.5 | Confident | 74.4 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 64% | 0.635 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.6 | -179.1 | -170.1 | 174.6 | -179.2 | 176.9 | 0 | 113.8 | Q194 I196 | K43-Q194 PolarHBondContact N-O 2.83Å; K43-I196 HydrophobicContact CB-CG1 4.42Å |
| 44 | N | 84.1 | Confident | 77.2 | Confident | 151 Ų | 151 | 70 Ų | 70 | 81% | 0.807 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 11.5 | -179.1 | -62.8 | -22.5 | 0 | 0 | 0 | 113.2 | M42 | M42-N44 PolarHBondContact O-N 3.2Å; M42-N44 VanDerWaalsContact O-N 3.14Å |
| 45 | I | 87.4 | Confident | 80 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | trans | -63 | 147.4 | 176.8 | -155.6 | 65.2 | 0 | 0 | 0 | 110.1 | S41 M42 L47 L127 I196 | S41-I45 WeakPolarHBondContact OG-CG2 3.31Å; M42-I45 HydrophobicContact CB-CB 4.48Å; M42-I45 HydrophobicContact CE-CD1 4.27Å; M42-I45 WeakPolarHBondContact O-CB 3.49Å; M42-I45 WeakPolarHBondContact O-CG2 3.48Å; M42-I45 PolarHBondContact O-N 2.73Å; I45-L47 HydrophobicContact CG2-CD2 3.66Å; I45-L47 HydrophobicContact CG2-CG 4.13Å; I45-L127 VanDerWaalsContact CD1-C 3.47Å; I45-L127 HydrophobicContact CD1-CB 3.79Å; I45-L127 WeakPolarHBondContact CD1-O 3.27Å; I45-I196 HydrophobicContact CG2-CD1 3.98Å | ||
| 46 | I | 91.8 | Very high | 82.6 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | trans | -103.3 | 114.8 | 172.8 | -58.3 | 172.1 | 0 | 0 | 0 | 106.5 | M129 R131 | I46-M129 WeakPolarHBondContact CB-O 3.24Å; I46-M129 HydrophobicContact CG2-CB 4.28Å; I46-M129 HydrophobicContact CG2-CE 3.57Å; I46-M129 PolarHBondContact O-N 3.14Å; I46-R131 HydrophobicContact CD1-CG 3.4Å; I46-R131 VanDerWaalsContact CD1-CG 3.4Å | ||
| 47 | L | 93.4 | Very high | 85.1 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 157.4 | 177.1 | -56.9 | 179 | 0 | 0 | 0 | 110.5 | I45 P49 L253 Y254 | I45-L47 HydrophobicContact CG2-CD2 3.66Å; I45-L47 HydrophobicContact CG2-CG 4.13Å; L47-P49 WeakPolarHBondContact O-CD 3.23Å; L47-L253 HydrophobicContact CD1-CD1 3.84Å; L47-L253 HydrophobicContact CD1-CG 3.8Å; L47-L253 WeakPolarHBondContact CD1-O 3.43Å; L47-L253 HydrophobicContact CD2-CD1 4Å; L47-L253 HydrophobicContact CD2-CD2 3.79Å; L47-L253 HydrophobicContact CD2-CG 3.8Å; L47-L253 HydrophobicContact CG-CG 4.47Å; L47-Y254 HydrophobicContact CB-CE1 4.22Å; L47-Y254 HydrophobicContact CD2-CE2 4.39Å |
| 48 | W | 94.7 | Very high | 87.1 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 124.6 | 172.6 | -68.6 | 89.1 | 0 | 0 | 0 | 110.2 | N50 G51 V53 H111 I113 M129 Q135 A156 Y254 | W48-N50 PolarHBondContact O-N 2.65Å; W48-G51 PolarHBondContact O-N 3.25Å; W48-V53 HydrophobicContact CB-CG2 3.99Å; W48-V53 HydrophobicContact CD2-CB 4.39Å; W48-V53 HydrophobicContact CD2-CG1 4.11Å; W48-V53 HydrophobicContact CD2-CG2 4.01Å; W48-V53 HydrophobicContact CE3-CG1 4.37Å; W48-V53 HydrophobicContact CG-CG2 3.72Å; W48-V53 HydrophobicContact CH2-CG1 4.49Å; W48-V53 HydrophobicContact CZ2-CG1 4.22Å; W48-H111 HydrophobicContact CZ3-CB 4.17Å; W48-I113 HydrophobicContact CH2-CG1 3.86Å; W48-I113 HydrophobicContact CZ2-CD1 3.97Å; W48-I113 HydrophobicContact CZ2-CG1 3.53Å; W48-M129 HydrophobicContact CD2-CB 3.79Å; W48-M129 HydrophobicContact CD2-CG 3.86Å; W48-M129 HydrophobicContact CD2-SD 4.24Å; W48-M129 HydrophobicContact CE3-CB 4.24Å; W48-M129 HydrophobicContact CE3-CG 3.78Å; W48-M129 HydrophobicContact CE3-SD 3.78Å; W48-M129 HydrophobicContact CG-CB 4.06Å; W48-M129 HydrophobicContact CH2-CG 3.93Å; W48-M129 HydrophobicContact CZ2-CB 4.15Å; W48-M129 HydrophobicContact CZ2-CG 4.01Å; W48-M129 HydrophobicContact CZ3-CG 3.81Å; W48-M129 HydrophobicContact CZ3-SD 4.05Å; W48-Q135 HydrophobicContact CZ2-CG 4.4Å; W48-A156 PolarHBondContact NE1-O 3.33Å; W48-Y254 HydrophobicContact CB-CE1 4.18Å; W48-Y254 WeakPolarHBondContact O-CE1 3.32Å |
| 49 | P | 92.4 | Very high | 88.2 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 51% | 0.506 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -54.6 | 128.5 | -178.4 | -27.4 | 34.8 | 0 | 0 | 0 | 111.9 | L47 G51 I52 M129 | L47-P49 WeakPolarHBondContact O-CD 3.23Å; P49-G51 PolarHBondContact O-N 3.2Å; P49-I52 PolarHBondContact O-N 3.05Å; P49-M129 VanDerWaalsContact CD-SD 3.53Å; P49-M129 HydrophobicContact CG-CE 4.29Å; P49-M129 HydrophobicContact CG-SD 4.33Å |
| 50 | N | 90.8 | Very high | 89.6 | Confident | 144 Ų | 144 | 47.3 Ų | 47.3 | 77% | 0.77 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | 56.2 | 18.8 | -178.7 | -52.5 | -37.4 | 0 | 0 | 0 | 114.9 | W48 I52 | W48-N50 PolarHBondContact O-N 2.65Å; N50-I52 HydrophobicContact CB-CD1 4.27Å; N50-I52 HydrophobicContact CB-CG1 4.27Å; N50-I52 PolarHBondContact O-N 3.09Å |
| 51 | G | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | 70.7 | 13.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W48 P49 I93 Q94 | W48-G51 PolarHBondContact O-N 3.25Å; P49-G51 PolarHBondContact O-N 3.2Å; G51-I93 CarbonylContact O-C 3.52Å; G51-I93 VanDerWaalsContact O-CA 3.3Å; G51-I93 WeakPolarHBondContact O-CA 3.2Å; G51-I93 WeakPolarHBondContact O-CG2 3.46Å; G51-Q94 PolarHBondContact O-N 3.26Å |
| 52 | I | 96 | Very high | 89.6 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 120.9 | -179.6 | -57.6 | 175.7 | 0 | 0 | 0 | 109.3 | P49 N50 P54 | P49-I52 PolarHBondContact O-N 3.05Å; N50-I52 HydrophobicContact CB-CD1 4.27Å; N50-I52 HydrophobicContact CB-CG1 4.27Å; N50-I52 PolarHBondContact O-N 3.09Å; I52-P54 WeakPolarHBondContact O-CD 3.37Å |
| 53 | V | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 94.5 | -177.3 | -172.2 | 0 | 0 | 0 | 0 | 110 | W48 I93 Q94 F95 Y96 I113 L157 | W48-V53 HydrophobicContact CB-CG2 3.99Å; W48-V53 HydrophobicContact CD2-CB 4.39Å; W48-V53 HydrophobicContact CD2-CG1 4.11Å; W48-V53 HydrophobicContact CD2-CG2 4.01Å; W48-V53 HydrophobicContact CE3-CG1 4.37Å; W48-V53 HydrophobicContact CG-CG2 3.72Å; W48-V53 HydrophobicContact CH2-CG1 4.49Å; W48-V53 HydrophobicContact CZ2-CG1 4.22Å; V53-I93 HydrophobicContact CG2-CG2 4.04Å; V53-Q94 PolarHBondContact N-O 3.11Å; V53-F95 HydrophobicContact CB-CD1 3.76Å; V53-F95 HydrophobicContact CB-CE1 3.98Å; V53-F95 HydrophobicContact CG1-CD1 3.89Å; V53-F95 HydrophobicContact CG1-CE1 3.94Å; V53-F95 HydrophobicContact CG2-CD1 4.47Å; V53-F95 HydrophobicContact CG2-CE1 4.29Å; V53-F95 WeakPolarHBondContact O-CA 3.21Å; V53-Y96 PolarHBondContact O-N 3Å; V53-I113 HydrophobicContact CG1-CD1 3.38Å; V53-I113 HydrophobicContact CG1-CG1 3.92Å; V53-L157 HydrophobicContact CG2-CD2 3.78Å |
| 54 | P | 94.6 | Very high | 88.8 | Confident | 28 Ų | 28 | 56 Ų | 56 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 137.3 | 172.8 | -15.7 | 30.2 | 0 | 0 | 0 | 110.9 | I52 Y96 L98 L112 I113 | I52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-Y96 WeakPolarHBondContact CA-O 3.34Å; P54-L98 HydrophobicContact CB-CD1 3.7Å; P54-L98 HydrophobicContact CB-CG 4.39Å; P54-L112 HydrophobicContact CB-CB 4Å; P54-L112 CarbonylContact O-C 3.55Å; P54-L112 VanDerWaalsContact O-CA 3.24Å; P54-L112 WeakPolarHBondContact O-CA 3.42Å; P54-L112 WeakPolarHBondContact O-CB 3.43Å; P54-I113 PolarHBondContact O-N 3.41Å |
| 55 | Y | 95 | Very high | 87.9 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 156.5 | 179.5 | 76.3 | -87.2 | 0 | 0 | 0 | 113.6 | I57 M84 F95 Y96 D97 L98 I113 I115 | Y55-I57 HydrophobicContact CD2-CG1 3.92Å; Y55-I57 HydrophobicContact CE2-CD1 3.89Å; Y55-I57 HydrophobicContact CE2-CG1 3.76Å; Y55-M84 HydrophobicContact CD1-CE 3.92Å; Y55-M84 HydrophobicContact CD1-SD 4.13Å; Y55-M84 HydrophobicContact CD2-CE 3.77Å; Y55-M84 HydrophobicContact CD2-SD 4.46Å; Y55-M84 HydrophobicContact CE1-CE 4.02Å; Y55-M84 HydrophobicContact CE1-SD 3.65Å; Y55-M84 HydrophobicContact CE2-CE 3.89Å; Y55-M84 HydrophobicContact CE2-SD 4.03Å; Y55-M84 HydrophobicContact CG-CE 3.77Å; Y55-M84 HydrophobicContact CG-SD 4.49Å; Y55-M84 VanDerWaalsContact CZ-SD 3.57Å; Y55-F95 HydrophobicContact CD1-CB 3.87Å; Y55-F95 HydrophobicContact CE1-CB 3.73Å; Y55-Y96 WeakPolarHBondContact CD1-O 3.32Å; Y55-Y96 PolarHBondContact N-O 2.81Å; Y55-D97 VanDerWaalsContact CE1-CA 3.49Å; Y55-D97 HydrophobicContact CE1-CB 3.82Å; Y55-D97 HydrophobicContact CE2-CB 4.25Å; Y55-D97 WeakPolarHBondContact OH-CB 3.48Å; Y55-D97 PolarHBondContact OH-OD2 2.92Å; Y55-L98 WeakPolarHBondContact O-CA 3.27Å; Y55-L98 VanDerWaalsContact O-CB 3.32Å; Y55-L98 WeakPolarHBondContact O-CB 3.21Å; Y55-L98 PolarHBondContact O-N 3.22Å; Y55-I113 CarbonylContact C-O 3.59Å; Y55-I113 WeakPolarHBondContact CA-O 3.43Å; Y55-I115 HydrophobicContact CD2-CD1 4.14Å |
| 56 | I | 93.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.3 | 169.9 | -64.3 | 173.7 | 0 | 0 | 0 | 107.4 | D58 L98 F107 L112 I113 I115 | I56-D58 WeakPolarHBondContact CG2-OD1 3.45Å; I56-L98 HydrophobicContact CD1-CB 4.34Å; I56-L98 HydrophobicContact CG1-CB 3.7Å; I56-F107 HydrophobicContact CD1-CB 4.21Å; I56-F107 HydrophobicContact CD1-CD2 4.19Å; I56-F107 HydrophobicContact CD1-CG 4.22Å; I56-L112 HydrophobicContact CD1-CD1 4.31Å; I56-L112 HydrophobicContact CD1-CD2 4.05Å; I56-L112 HydrophobicContact CG1-CD1 4.48Å; I56-I113 PolarHBondContact N-O 3.19Å; I56-I115 PolarHBondContact O-N 2.74Å |
| 57 | I | 93.7 | Very high | 85.4 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 107.2 | 168 | -55.9 | 172.3 | 0 | 0 | 0 | 108 | Y55 I60 F72 V77 I80 T99 I115 | Y55-I57 HydrophobicContact CD2-CG1 3.92Å; Y55-I57 HydrophobicContact CE2-CD1 3.89Å; Y55-I57 HydrophobicContact CE2-CG1 3.76Å; I57-I60 HydrophobicContact CB-CD1 3.98Å; I57-I60 HydrophobicContact CB-CG1 4.36Å; I57-I60 HydrophobicContact CG2-CD1 3.8Å; I57-I60 HydrophobicContact CG2-CG1 3.68Å; I57-F72 HydrophobicContact CG2-CD2 3.7Å; I57-F72 HydrophobicContact CG2-CE2 4.09Å; I57-V77 HydrophobicContact CD1-CG1 4.14Å; I57-V77 HydrophobicContact CG2-CG2 4.47Å; I57-I80 HydrophobicContact CD1-CB 4.46Å; I57-I80 HydrophobicContact CD1-CD1 4.48Å; I57-I80 HydrophobicContact CD1-CG2 3.91Å; I57-I80 HydrophobicContact CG1-CG2 4.42Å; I57-I80 HydrophobicContact CG2-CD1 4.37Å; I57-T99 HydrophobicContact CB-CG2 4.22Å; I57-T99 PolarHBondContact N-OG1 2.79Å; I57-T99 WeakPolarHBondContact O-CG2 3.35Å; I57-I115 HydrophobicContact CG1-CB 4.41Å; I57-I115 HydrophobicContact CG1-CD1 4.21Å |
| 58 | D | 90.1 | Very high | 83.9 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | trans | -81.7 | 178.3 | 173.6 | -71.2 | -34.8 | 0 | 0 | 0 | 110.7 | I56 I60 F72 R114 I115 K116 | I56-D58 WeakPolarHBondContact CG2-OD1 3.45Å; D58-I60 PolarHBondContact O-N 3.11Å; D58-F72 WeakPolarHBondContact O-CD2 3.46Å; D58-R114 IonicContact OD1-CZ 3.75Å; D58-R114 IonicContact OD1-NE 2.89Å; D58-R114 IonicContact OD1-NH2 2.89Å; D58-R114 PolarHBondContact OD1-NH2 3.29Å; D58-R114 IonicContact OD2-CZ 3.3Å; D58-R114 IonicContact OD2-NE 2.97Å; D58-R114 PolarHBondContact OD2-NE 2.77Å; D58-R114 IonicContact OD2-NH2 2.92Å; D58-R114 PolarHBondContact OD2-NH2 3.35Å; D58-I115 PolarHBondContact N-O 3.38Å; D58-K116 HydrophobicContact CB-CG 3.97Å; D58-K116 WeakPolarHBondContact OD2-CE 3.34Å | ||
| 59 | D | 84 | Confident | 82.8 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 21% | 0.214 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 57.4 | 24.1 | 169.3 | -53.7 | -38.6 | 0 | 0 | 0 | 115.6 | D61 Y71 F72 G117 R118 | D59-D61 PolarHBondContact O-N 2.86Å; D59-Y71 HydrophobicContact CB-CD1 4.48Å; D59-Y71 CarbonylContact O-C 3.57Å; D59-Y71 VanDerWaalsContact O-CA 3.31Å; D59-Y71 WeakPolarHBondContact O-CA 3.49Å; D59-Y71 WeakPolarHBondContact O-CB 2.7Å; D59-Y71 WeakPolarHBondContact O-CD1 3.46Å; D59-F72 HydrophobicContact CB-CD2 4.48Å; D59-F72 PolarHBondContact O-N 3.45Å; D59-G117 PolarHBondContact OD2-N 2.96Å; D59-R118 HydrophobicContact CB-CG 3.93Å; D59-R118 WeakPolarHBondContact OD1-CD 3.45Å; D59-R118 PolarHBondContact OD2-N 3.4Å |
| 60 | I | 86.9 | Confident | 82.3 | Confident | 63 Ų | 63 | 65 Ų | 65 | 32% | 0.323 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 120.3 | 176.6 | -57.2 | 175.3 | 0 | 0 | 0 | 109.6 | I57 D58 K62 V77 T99 | I57-I60 HydrophobicContact CB-CD1 3.98Å; I57-I60 HydrophobicContact CB-CG1 4.36Å; I57-I60 HydrophobicContact CG2-CD1 3.8Å; I57-I60 HydrophobicContact CG2-CG1 3.68Å; D58-I60 PolarHBondContact O-N 3.11Å; I60-K62 HydrophobicContact CG2-CG 3.87Å; I60-V77 HydrophobicContact CD1-CG2 4.18Å; I60-V77 HydrophobicContact CG1-CG2 4.14Å; I60-V77 HydrophobicContact CG2-CG2 4.4Å; I60-T99 HydrophobicContact CD1-CG2 3.83Å |
| 61 | D | 83.8 | Confident | 82.2 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | trans | -132.6 | 96.1 | 166.4 | -174.1 | -8.6 | 0 | 0 | 0 | 109.2 | D59 T63 K64 Y71 F72 | D59-D61 PolarHBondContact O-N 2.86Å; D61-T63 PolarHBondContact O-N 2.76Å; D61-T63 WeakPolarHBondContact OD1-CB 3.26Å; D61-T63 PolarHBondContact OD1-N 3.16Å; D61-T63 PolarHBondContact OD1-OG1 3.23Å; D61-T63 PolarHBondContact OD2-OG1 3.14Å; D61-K64 HydrophobicContact CB-CG 3.98Å; D61-K64 PolarHBondContact O-N 2.57Å; D61-K64 VanDerWaalsContact O-N 3.15Å; D61-K64 VanDerWaalsContact OD2-CE 3.24Å; D61-K64 WeakPolarHBondContact OD2-CE 3.2Å; D61-K64 WeakPolarHBondContact OD2-CG 3.31Å; D61-Y71 HydrophobicContact CB-CD1 3.83Å; D61-Y71 HydrophobicContact CB-CG 3.85Å; D61-F72 PolarHBondContact N-O 2.78Å | ||
| 62 | K | 77.2 | Confident | 82 | Confident | 158 Ų | 158 | 61.7 Ų | 61.7 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.2 | -178.3 | -62.3 | -179 | -177 | 175.6 | 0 | 113.2 | I60 K64 | I60-K62 HydrophobicContact CG2-CG 3.87Å; K62-K64 VanDerWaalsContact C-N 3.3Å |
| 63 | T | 75.5 | Confident | 81.7 | Confident | 116 Ų | 116 | 58.3 Ų | 58.3 | 71% | 0.712 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -16.9 | 175.7 | 74 | 0 | 0 | 0 | 0 | 112 | D61 | D61-T63 PolarHBondContact O-N 2.76Å; D61-T63 WeakPolarHBondContact OD1-CB 3.26Å; D61-T63 PolarHBondContact OD1-N 3.16Å; D61-T63 PolarHBondContact OD1-OG1 3.23Å; D61-T63 PolarHBondContact OD2-OG1 3.14Å |
| 64 | K | 70.9 | Confident | 81.5 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | trans | -85.1 | 126.9 | 175.4 | -57.8 | -56.7 | 176.6 | -165.3 | 0 | 110 | D61 K62 T69 N73 | D61-K64 HydrophobicContact CB-CG 3.98Å; D61-K64 PolarHBondContact O-N 2.57Å; D61-K64 VanDerWaalsContact O-N 3.15Å; D61-K64 VanDerWaalsContact OD2-CE 3.24Å; D61-K64 WeakPolarHBondContact OD2-CE 3.2Å; D61-K64 WeakPolarHBondContact OD2-CG 3.31Å; K62-K64 VanDerWaalsContact C-N 3.3Å; K64-T69 HydrophobicContact CB-CG2 4.13Å; K64-T69 HydrophobicContact CG-CG2 4.47Å; K64-N73 WeakPolarHBondContact O-CB 3.34Å | ||
| 65 | S | 64.1 | Low | 81.3 | Confident | 112 Ų | 112 | 67.8 Ų | 67.8 | 78% | 0.783 | 34% | 0.337 | S | S | * | . | trans | -104.4 | -21 | 173.9 | 55 | 0 | 0 | 0 | 0 | 113.1 | E67 | S65-E67 PolarHBondContact O-N 3.33Š| ||
| 66 | N | 66.2 | Low | 81.3 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | trans | -70 | 125.6 | -176.9 | 177.2 | -3.4 | 0 | 0 | 0 | 110.8 | F68 T69 | N66-F68 PolarHBondContact O-N 2.92Å; N66-F68 PolarHBondContact OD1-N 2.66Å; N66-T69 HydrophobicContact CB-CG2 3.67Å; N66-T69 WeakPolarHBondContact O-CB 3.32Å; N66-T69 WeakPolarHBondContact O-CG2 3.21Å; N66-T69 PolarHBondContact O-N 2.86Å; N66-T69 PolarHBondContact O-OG1 2.79Å | ||
| 67 | E | 60.6 | Low | 81.3 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.4 | -179.5 | -178.6 | 166.7 | -151.1 | 0 | 0 | 113.6 | S65 T69 K314 | S65-E67 PolarHBondContact O-N 3.33Å; E67-T69 PolarHBondContact O-N 2.73Å; E67-K314 WeakPolarHBondContact OE1-CD 3.25Å; E67-K314 IonicContact OE1-NZ 3.3Å; E67-K314 PolarHBondContact OE1-NZ 3.09Å |
| 68 | F | 63 | Low | 81.4 | Confident | 142 Ų | 142 | 71 Ų | 71 | 62% | 0.623 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 11.8 | -179.7 | -59.8 | -74 | 0 | 0 | 0 | 113.3 | N66 | N66-F68 PolarHBondContact O-N 2.92Å; N66-F68 PolarHBondContact OD1-N 2.66Å |
| 69 | T | 71.5 | Confident | 81.7 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | trans | -74 | 142.6 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | K64 N66 E67 Y71 R144 | K64-T69 HydrophobicContact CB-CG2 4.13Å; K64-T69 HydrophobicContact CG-CG2 4.47Å; N66-T69 HydrophobicContact CB-CG2 3.67Å; N66-T69 WeakPolarHBondContact O-CB 3.32Å; N66-T69 WeakPolarHBondContact O-CG2 3.21Å; N66-T69 PolarHBondContact O-N 2.86Å; N66-T69 PolarHBondContact O-OG1 2.79Å; E67-T69 PolarHBondContact O-N 2.73Å; T69-Y71 PolarHBondContact O-N 3.28Å; T69-Y71 PolarHBondContact OG1-O 3Å; T69-R144 PolarHBondContact O-NH1 3.29Å; T69-R144 VanDerWaalsContact O-NH1 3.11Å; T69-R144 PolarHBondContact O-NH2 2.04Å | ||
| 70 | E | 81.6 | Confident | 82.3 | Confident | 96 Ų | 96 | 68 Ų | 68 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -65.2 | -18.2 | 174.1 | -58.3 | -173.2 | 164.5 | 0 | 0 | 112.3 | G117 R118 R144 | E70-G117 CarbonylContact O-C 3.5Å; E70-G117 WeakPolarHBondContact O-CA 3.08Å; E70-R118 HydrophobicContact CB-CB 4.35Å; E70-R118 HydrophobicContact CB-CG 3.81Å; E70-R118 VanDerWaalsContact O-CG 3.31Å; E70-R118 WeakPolarHBondContact O-CG 3.5Å; E70-R118 PolarHBondContact O-N 3.47Å; E70-R118 VanDerWaalsContact O-N 3.16Å; E70-R118 IonicContact OE2-NE 2.65Å; E70-R144 PolarHBondContact O-NH2 3.29Å |
| 71 | Y | 88.1 | Confident | 82.8 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -87.3 | 152.3 | 177 | -63.6 | -89.2 | 0 | 0 | 0 | 111.2 | D59 D61 T69 R144 | D59-Y71 HydrophobicContact CB-CD1 4.48Å; D59-Y71 CarbonylContact O-C 3.57Å; D59-Y71 VanDerWaalsContact O-CA 3.31Å; D59-Y71 WeakPolarHBondContact O-CA 3.49Å; D59-Y71 WeakPolarHBondContact O-CB 2.7Å; D59-Y71 WeakPolarHBondContact O-CD1 3.46Å; D61-Y71 HydrophobicContact CB-CD1 3.83Å; D61-Y71 HydrophobicContact CB-CG 3.85Å; T69-Y71 PolarHBondContact O-N 3.28Å; T69-Y71 PolarHBondContact OG1-O 3Å; Y71-R144 PolarHBondContact O-NH1 2.93Å |
| 72 | F | 90.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -80.2 | 124.1 | 169.8 | -64.8 | -53.4 | 0 | 0 | 0 | 110.2 | I57 D58 D59 D61 D76 V77 I80 I115 K116 L139 | I57-F72 HydrophobicContact CG2-CD2 3.7Å; I57-F72 HydrophobicContact CG2-CE2 4.09Å; D58-F72 WeakPolarHBondContact O-CD2 3.46Å; D59-F72 HydrophobicContact CB-CD2 4.48Å; D59-F72 PolarHBondContact O-N 3.45Å; D61-F72 PolarHBondContact N-O 2.78Å; F72-D76 HydrophobicContact CB-CB 4Å; F72-D76 HydrophobicContact CD1-CB 3.73Å; F72-D76 HydrophobicContact CG-CB 4.26Å; F72-V77 HydrophobicContact CB-CG2 4.26Å; F72-I80 HydrophobicContact CD1-CD1 4.34Å; F72-I80 HydrophobicContact CE1-CD1 4.21Å; F72-I80 HydrophobicContact CE2-CD1 4.39Å; F72-I80 HydrophobicContact CG-CD1 4.49Å; F72-I80 HydrophobicContact CZ-CD1 4.23Å; F72-I115 HydrophobicContact CE2-CG2 3.97Å; F72-I115 HydrophobicContact CZ-CG2 3.94Å; F72-K116 VanDerWaalsContact CZ-C 3.41Å; F72-L139 HydrophobicContact CE1-CB 3.94Å; F72-L139 HydrophobicContact CZ-CB 3.93Å; F72-L139 HydrophobicContact CZ-CD1 4.37Å |
| 73 | N | 89.8 | Confident | 84.4 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.064 | 31% | 0.306 | C | S | . | . | trans | -86 | -177 | 171.8 | 67.8 | 32.8 | 0 | 0 | 0 | 111 | K64 L75 D76 V77 | K64-N73 WeakPolarHBondContact O-CB 3.34Å; N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 2.9Å; N73-L75 WeakPolarHBondContact OD1-CA 3.45Å; N73-L75 WeakPolarHBondContact OD1-CB 3.12Å; N73-L75 PolarHBondContact OD1-N 3.24Å; N73-D76 PolarHBondContact N-OD2 2.93Å; N73-D76 PolarHBondContact O-N 3.49Å; N73-D76 PolarHBondContact OD1-N 2.98Å; N73-D76 PolarHBondContact OD1-OD2 3.5Å; N73-V77 WeakPolarHBondContact O-CG2 3.21Å; N73-V77 PolarHBondContact O-N 3.48Å | ||
| 74 | K | 90.7 | Very high | 85.5 | Confident | 169 Ų | 169 | 56 Ų | 56 | 74% | 0.735 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.1 | -39.6 | 179.1 | -174.8 | -178.3 | 176.4 | -173.6 | 0 | 112.8 | L78 | K74-L78 PolarHBondContact O-N 3.2Å; K74-L78 VanDerWaalsContact O-N 3.15Å |
| 75 | L | 91.3 | Very high | 86.8 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 179.6 | 173.9 | 60.6 | 0 | 0 | 0 | 111 | N73 V77 L78 L79 Y315 | N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 2.9Å; N73-L75 WeakPolarHBondContact OD1-CA 3.45Å; N73-L75 WeakPolarHBondContact OD1-CB 3.12Å; N73-L75 PolarHBondContact OD1-N 3.24Å; L75-V77 VanDerWaalsContact C-N 3.32Å; L75-V77 PolarHBondContact O-N 3.09Å; L75-L78 HydrophobicContact CD1-CD2 4.03Å; L75-L78 WeakPolarHBondContact O-CB 3.3Å; L75-L78 PolarHBondContact O-N 2.97Å; L75-L78 VanDerWaalsContact O-N 3.12Å; L75-L79 HydrophobicContact CD1-CD1 3.91Å; L75-L79 HydrophobicContact CD1-CD2 4.24Å; L75-L79 HydrophobicContact CD1-CG 3.93Å; L75-L79 HydrophobicContact CG-CD1 3.88Å; L75-L79 HydrophobicContact CG-CG 4.34Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 3.02Å; L75-Y315 HydrophobicContact CD1-CD2 3.6Å; L75-Y315 HydrophobicContact CD1-CE2 4.36Å |
| 76 | D | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 179.2 | -60.3 | -41.8 | 0 | 0 | 0 | 111.5 | F72 N73 L78 L79 I80 R144 K314 | F72-D76 HydrophobicContact CB-CB 4Å; F72-D76 HydrophobicContact CD1-CB 3.73Å; F72-D76 HydrophobicContact CG-CB 4.26Å; N73-D76 PolarHBondContact N-OD2 2.93Å; N73-D76 PolarHBondContact O-N 3.49Å; N73-D76 PolarHBondContact OD1-N 2.98Å; N73-D76 PolarHBondContact OD1-OD2 3.5Å; D76-L78 VanDerWaalsContact C-N 3.33Å; D76-L78 PolarHBondContact O-N 2.84Å; D76-L79 PolarHBondContact O-N 3.48Å; D76-I80 VanDerWaalsContact O-CG1 3.27Å; D76-I80 WeakPolarHBondContact O-CG1 3.41Å; D76-I80 PolarHBondContact O-N 3.49Å; D76-R144 WeakPolarHBondContact OD1-CD 3.19Å; D76-R144 IonicContact OD2-CZ 3.97Å; D76-R144 IonicContact OD2-NH1 2.78Å; D76-R144 PolarHBondContact OD2-NH1 3.35Å; D76-K314 IonicContact OD1-NZ 3.73Å; D76-K314 PolarHBondContact OD1-NZ 3.22Å |
| 77 | V | 94.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | I57 I60 F72 N73 L75 I80 K81 | I57-V77 HydrophobicContact CD1-CG1 4.14Å; I57-V77 HydrophobicContact CG2-CG2 4.47Å; I60-V77 HydrophobicContact CD1-CG2 4.18Å; I60-V77 HydrophobicContact CG1-CG2 4.14Å; I60-V77 HydrophobicContact CG2-CG2 4.4Å; F72-V77 HydrophobicContact CB-CG2 4.26Å; N73-V77 WeakPolarHBondContact O-CG2 3.21Å; N73-V77 PolarHBondContact O-N 3.48Å; L75-V77 VanDerWaalsContact C-N 3.32Å; L75-V77 PolarHBondContact O-N 3.09Å; V77-I80 PolarHBondContact O-N 3.37Å; V77-K81 HydrophobicContact CG1-CD 4.49Å; V77-K81 WeakPolarHBondContact O-CG 3.36Å; V77-K81 PolarHBondContact O-N 3.46Å; V77-K81 VanDerWaalsContact O-N 3.08Å |
| 78 | L | 95.2 | Very high | 91.6 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 38% | 0.377 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.6 | 179.5 | 107.7 | 0 | 0 | 0 | 111.2 | K74 L75 D76 K81 K82 Y315 F319 | K74-L78 PolarHBondContact O-N 3.2Å; K74-L78 VanDerWaalsContact O-N 3.15Å; L75-L78 HydrophobicContact CD1-CD2 4.03Å; L75-L78 WeakPolarHBondContact O-CB 3.3Å; L75-L78 PolarHBondContact O-N 2.97Å; L75-L78 VanDerWaalsContact O-N 3.12Å; D76-L78 VanDerWaalsContact C-N 3.33Å; D76-L78 PolarHBondContact O-N 2.84Å; L78-K81 PolarHBondContact O-N 2.9Å; L78-K82 WeakPolarHBondContact O-CB 3.39Å; L78-K82 PolarHBondContact O-N 2.89Å; L78-Y315 HydrophobicContact CD2-CD2 3.97Å; L78-Y315 HydrophobicContact CD2-CE2 3.58Å; L78-F319 HydrophobicContact CD2-CE2 3.67Å; L78-F319 HydrophobicContact CD2-CZ 3.61Å; L78-F319 HydrophobicContact CG-CZ 4.14Å |
| 79 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.8 | -36 | -178.9 | -61.3 | 169.4 | 0 | 0 | 0 | 112.3 | L75 D76 K81 K82 A83 R144 V146 I149 K314 P318 F319 | L75-L79 HydrophobicContact CD1-CD1 3.91Å; L75-L79 HydrophobicContact CD1-CD2 4.24Å; L75-L79 HydrophobicContact CD1-CG 3.93Å; L75-L79 HydrophobicContact CG-CD1 3.88Å; L75-L79 HydrophobicContact CG-CG 4.34Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 3.02Å; D76-L79 PolarHBondContact O-N 3.48Å; L79-K81 VanDerWaalsContact C-N 3.34Å; L79-K82 PolarHBondContact O-N 2.87Å; L79-A83 PolarHBondContact O-N 3.48Å; L79-R144 WeakPolarHBondContact CD1-O 3.46Å; L79-V146 HydrophobicContact CB-CG2 4.11Å; L79-V146 HydrophobicContact CD2-CG2 3.83Å; L79-I149 HydrophobicContact CB-CD1 4.1Å; L79-K314 HydrophobicContact CD1-CD 3.92Å; L79-K314 HydrophobicContact CD1-CG 3.48Å; L79-K314 VanDerWaalsContact CD1-CG 3.48Å; L79-K314 WeakPolarHBondContact CD2-O 3.21Å; L79-P318 HydrophobicContact CD2-CG 4.12Å; L79-F319 HydrophobicContact CD2-CE2 4.03Å |
| 80 | I | 97.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 171.1 | -69.4 | 162.3 | 0 | 0 | 0 | 110.2 | I57 F72 D76 V77 A83 M84 I115 L139 I149 | I57-I80 HydrophobicContact CD1-CB 4.46Å; I57-I80 HydrophobicContact CD1-CD1 4.48Å; I57-I80 HydrophobicContact CD1-CG2 3.91Å; I57-I80 HydrophobicContact CG1-CG2 4.42Å; I57-I80 HydrophobicContact CG2-CD1 4.37Å; F72-I80 HydrophobicContact CD1-CD1 4.34Å; F72-I80 HydrophobicContact CE1-CD1 4.21Å; F72-I80 HydrophobicContact CE2-CD1 4.39Å; F72-I80 HydrophobicContact CG-CD1 4.49Å; F72-I80 HydrophobicContact CZ-CD1 4.23Å; D76-I80 VanDerWaalsContact O-CG1 3.27Å; D76-I80 WeakPolarHBondContact O-CG1 3.41Å; D76-I80 PolarHBondContact O-N 3.49Å; V77-I80 PolarHBondContact O-N 3.37Å; I80-A83 PolarHBondContact O-N 2.72Å; I80-M84 HydrophobicContact CG2-CE 3.82Å; I80-M84 HydrophobicContact CG2-SD 4.26Å; I80-M84 WeakPolarHBondContact O-CG 3.16Å; I80-M84 PolarHBondContact O-N 2.64Å; I80-M84 VanDerWaalsContact O-N 3.1Å; I80-I115 HydrophobicContact CD1-CG2 3.97Å; I80-I115 HydrophobicContact CG2-CD1 3.77Å; I80-L139 HydrophobicContact CD1-CD1 4Å; I80-L139 HydrophobicContact CG1-CD1 3.84Å; I80-I149 HydrophobicContact CG1-CD1 3.88Å |
| 81 | K | 97.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 34.2 Ų | 34.2 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.9 | -36.6 | 178.6 | -70 | -171 | 174.8 | -151.4 | 0 | 112.5 | V77 L78 L79 M84 S85 D97 | V77-K81 HydrophobicContact CG1-CD 4.49Å; V77-K81 WeakPolarHBondContact O-CG 3.36Å; V77-K81 PolarHBondContact O-N 3.46Å; V77-K81 VanDerWaalsContact O-N 3.08Å; L78-K81 PolarHBondContact O-N 2.9Å; L79-K81 VanDerWaalsContact C-N 3.34Å; K81-M84 PolarHBondContact O-N 2.92Å; K81-S85 PolarHBondContact O-N 3.15Å; K81-D97 IonicContact NZ-OD2 3.81Å; K81-D97 PolarHBondContact NZ-OD2 2.78Å |
| 82 | K | 97.1 | Very high | 95.3 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.2 | -175.9 | 62.3 | 172.3 | -172.4 | 0 | 111.2 | L78 L79 M84 S85 I86 V146 D293 P318 F319 | L78-K82 WeakPolarHBondContact O-CB 3.39Å; L78-K82 PolarHBondContact O-N 2.89Å; L79-K82 PolarHBondContact O-N 2.87Å; K82-M84 VanDerWaalsContact C-N 3.32Å; K82-M84 PolarHBondContact O-N 3.34Å; K82-S85 PolarHBondContact O-N 3.29Å; K82-S85 PolarHBondContact O-OG 2.88Å; K82-I86 HydrophobicContact CG-CD1 4.15Å; K82-I86 VanDerWaalsContact O-CD1 3.26Å; K82-I86 WeakPolarHBondContact O-CD1 2.82Å; K82-I86 WeakPolarHBondContact O-CG1 3.5Å; K82-I86 PolarHBondContact O-N 3.49Å; K82-I86 VanDerWaalsContact O-N 3.13Å; K82-V146 HydrophobicContact CB-CG2 4.16Å; K82-V146 HydrophobicContact CG-CG2 4.05Å; K82-D293 IonicContact NZ-OD2 3.14Å; K82-D293 PolarHBondContact NZ-OD2 3.49Å; K82-P318 WeakPolarHBondContact CE-O 3.44Å; K82-P318 HydrophobicContact CG-CB 4.41Å; K82-F319 HydrophobicContact CB-CZ 4.16Å; K82-F319 HydrophobicContact CD-CE1 3.86Å; K82-F319 HydrophobicContact CD-CZ 4.02Å; K82-F319 HydrophobicContact CG-CE1 4.32Å; K82-F319 HydrophobicContact CG-CE2 4.49Å; K82-F319 HydrophobicContact CG-CZ 3.96Å |
| 83 | A | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L79 I80 I86 V146 I149 L150 L153 | L79-A83 PolarHBondContact O-N 3.48Å; I80-A83 PolarHBondContact O-N 2.72Å; A83-I86 PolarHBondContact O-N 3.38Å; A83-V146 HydrophobicContact CB-CG1 4.26Å; A83-I149 HydrophobicContact CB-CB 3.83Å; A83-I149 HydrophobicContact CB-CG2 3.46Å; A83-I149 VanDerWaalsContact CB-CG2 3.46Å; A83-L150 HydrophobicContact CB-CD2 4.18Å; A83-L150 HydrophobicContact CB-CG 4.05Å; A83-L150 VanDerWaalsContact O-CD2 3.24Å; A83-L150 WeakPolarHBondContact O-CD2 3.41Å; A83-L153 HydrophobicContact CB-CD1 4Å |
| 84 | M | 98.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.7 | -69.8 | 171.2 | 175.1 | 0 | 0 | 112 | Y55 I80 K81 K82 I86 I87 E88 F95 I115 L153 | Y55-M84 HydrophobicContact CD1-CE 3.92Å; Y55-M84 HydrophobicContact CD1-SD 4.13Å; Y55-M84 HydrophobicContact CD2-CE 3.77Å; Y55-M84 HydrophobicContact CD2-SD 4.46Å; Y55-M84 HydrophobicContact CE1-CE 4.02Å; Y55-M84 HydrophobicContact CE1-SD 3.65Å; Y55-M84 HydrophobicContact CE2-CE 3.89Å; Y55-M84 HydrophobicContact CE2-SD 4.03Å; Y55-M84 HydrophobicContact CG-CE 3.77Å; Y55-M84 HydrophobicContact CG-SD 4.49Å; Y55-M84 VanDerWaalsContact CZ-SD 3.57Å; I80-M84 HydrophobicContact CG2-CE 3.82Å; I80-M84 HydrophobicContact CG2-SD 4.26Å; I80-M84 WeakPolarHBondContact O-CG 3.16Å; I80-M84 PolarHBondContact O-N 2.64Å; I80-M84 VanDerWaalsContact O-N 3.1Å; K81-M84 PolarHBondContact O-N 2.92Å; K82-M84 VanDerWaalsContact C-N 3.32Å; K82-M84 PolarHBondContact O-N 3.34Å; M84-I86 PolarHBondContact O-N 2.04Å; M84-I87 PolarHBondContact O-N 2.63Å; M84-I87 VanDerWaalsContact O-N 3.11Å; M84-E88 WeakPolarHBondContact O-CG 3.34Å; M84-E88 PolarHBondContact O-N 3.37Å; M84-F95 HydrophobicContact CB-CB 4.32Å; M84-F95 HydrophobicContact CB-CD2 3.56Å; M84-F95 HydrophobicContact CB-CE2 4.01Å; M84-F95 HydrophobicContact CB-CG 3.96Å; M84-F95 HydrophobicContact CE-CD1 4.15Å; M84-F95 HydrophobicContact CE-CG 4.49Å; M84-F95 HydrophobicContact CG-CB 4.2Å; M84-F95 HydrophobicContact CG-CD1 4.02Å; M84-F95 HydrophobicContact CG-CD2 3.73Å; M84-F95 HydrophobicContact CG-CE1 4.33Å; M84-F95 HydrophobicContact CG-CE2 4.06Å; M84-F95 HydrophobicContact CG-CG 3.71Å; M84-F95 HydrophobicContact CG-CZ 4.35Å; M84-F95 HydrophobicContact SD-CB 3.97Å; M84-F95 HydrophobicContact SD-CD1 4.3Å; M84-F95 HydrophobicContact SD-CG 4.05Å; M84-I115 HydrophobicContact CE-CD1 3.39Å; M84-L153 HydrophobicContact CE-CD2 4.41Å; M84-L153 HydrophobicContact CG-CD1 4.05Å |
| 85 | S | 97.2 | Very high | 96.4 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 19% | 0.189 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -36.7 | -179.1 | 92.6 | 0 | 0 | 0 | 0 | 111.7 | K81 K82 I87 E88 E89 | K81-S85 PolarHBondContact O-N 3.15Å; K82-S85 PolarHBondContact O-N 3.29Å; K82-S85 PolarHBondContact O-OG 2.88Å; S85-I87 VanDerWaalsContact C-N 3.32Å; S85-I87 PolarHBondContact O-N 2.74Å; S85-E88 CarbonylContact O-C 3.55Å; S85-E88 PolarHBondContact O-N 3.46Å; S85-E89 VanDerWaalsContact O-CB 3.28Å; S85-E89 WeakPolarHBondContact O-CB 3.41Å; S85-E89 WeakPolarHBondContact O-CG 3.33Å; S85-E89 PolarHBondContact O-N 3.49Å; S85-E89 PolarHBondContact OG-OE1 2.81Å |
| 86 | I | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 179.2 | -66.7 | 160.2 | 0 | 0 | 0 | 112 | K82 A83 M84 E90 V146 L150 Y241 L242 | K82-I86 HydrophobicContact CG-CD1 4.15Å; K82-I86 VanDerWaalsContact O-CD1 3.26Å; K82-I86 WeakPolarHBondContact O-CD1 2.82Å; K82-I86 WeakPolarHBondContact O-CG1 3.5Å; K82-I86 PolarHBondContact O-N 3.49Å; K82-I86 VanDerWaalsContact O-N 3.13Å; A83-I86 PolarHBondContact O-N 3.38Å; M84-I86 PolarHBondContact O-N 2.04Å; I86-E90 WeakPolarHBondContact O-CG 3.21Å; I86-V146 HydrophobicContact CD1-CG1 3.49Å; I86-V146 VanDerWaalsContact CD1-CG1 3.49Å; I86-L150 HydrophobicContact CB-CD2 4.27Å; I86-L150 HydrophobicContact CD1-CD1 4.26Å; I86-L150 HydrophobicContact CG2-CD1 4.34Å; I86-L150 HydrophobicContact CG2-CD2 4.25Å; I86-Y241 HydrophobicContact CD1-CD2 3.96Å; I86-Y241 HydrophobicContact CD1-CE2 3.13Å; I86-Y241 HydrophobicContact CG1-CE2 3.79Å; I86-Y241 VanDerWaalsContact CG1-OH 3.29Å; I86-Y241 WeakPolarHBondContact CG1-OH 3.46Å; I86-Y241 HydrophobicContact CG2-CE1 4.1Å; I86-Y241 HydrophobicContact CG2-CE2 4.23Å; I86-L242 HydrophobicContact CG2-CB 3.88Å |
| 87 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.4 | -43.4 | 176.4 | -66.7 | 168.7 | 0 | 0 | 0 | 109.8 | M84 S85 E89 E90 T91 I93 F95 L150 L153 L154 L157 L242 | M84-I87 PolarHBondContact O-N 2.63Å; M84-I87 VanDerWaalsContact O-N 3.11Å; S85-I87 VanDerWaalsContact C-N 3.32Å; S85-I87 PolarHBondContact O-N 2.74Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 3.25Å; I87-E90 PolarHBondContact O-N 3.11Å; I87-T91 HydrophobicContact CG2-CG2 4.4Å; I87-T91 WeakPolarHBondContact O-CB 3.13Å; I87-T91 WeakPolarHBondContact O-CG2 3.49Å; I87-T91 PolarHBondContact O-N 3.24Å; I87-T91 PolarHBondContact O-OG1 3.39Å; I87-I93 HydrophobicContact CG2-CB 4.15Å; I87-I93 HydrophobicContact CG2-CD1 4.18Å; I87-I93 HydrophobicContact CG2-CG2 4.24Å; I87-F95 HydrophobicContact CB-CE2 3.98Å; I87-F95 HydrophobicContact CD1-CE2 4.2Å; I87-F95 HydrophobicContact CD1-CZ 4.03Å; I87-F95 HydrophobicContact CG2-CE2 3.96Å; I87-F95 HydrophobicContact CG2-CZ 4.4Å; I87-L150 HydrophobicContact CD1-CD2 3.82Å; I87-L150 HydrophobicContact CG1-CD2 3.7Å; I87-L153 HydrophobicContact CD1-CB 3.88Å; I87-L153 HydrophobicContact CD1-CD1 4.11Å; I87-L154 HydrophobicContact CD1-CD1 4.14Å; I87-L157 HydrophobicContact CD1-CD1 4.05Å; I87-L157 HydrophobicContact CG2-CD1 4.11Å; I87-L242 HydrophobicContact CG1-CD2 4.44Å |
| 88 | E | 97.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 33.9 Ų | 33.9 | 22% | 0.22 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -35.4 | 178.6 | -68.8 | 177.2 | 152.9 | 0 | 0 | 112.1 | M84 S85 E90 T91 F95 K275 | M84-E88 WeakPolarHBondContact O-CG 3.34Å; M84-E88 PolarHBondContact O-N 3.37Å; S85-E88 CarbonylContact O-C 3.55Å; S85-E88 PolarHBondContact O-N 3.46Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 3.17Å; E88-T91 VanDerWaalsContact O-O 3.04Å; E88-F95 HydrophobicContact CG-CD2 3.8Å; E88-F95 HydrophobicContact CG-CE2 4.38Å; E88-F95 WeakPolarHBondContact OE1-CB 3.36Å; E88-F95 PolarHBondContact OE1-N 3.25Å; E88-K275 PolarHBondContact O-NZ 3.29Å |
| 89 | E | 95.4 | Very high | 96 | Very high | 84 Ų | 84 | 32.5 Ų | 32.5 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.7 | -32.9 | 177.9 | -78.6 | 163.8 | -141.5 | 0 | 0 | 112 | S85 I87 K275 | S85-E89 VanDerWaalsContact O-CB 3.28Å; S85-E89 WeakPolarHBondContact O-CB 3.41Å; S85-E89 WeakPolarHBondContact O-CG 3.33Å; S85-E89 PolarHBondContact O-N 3.49Å; S85-E89 PolarHBondContact OG-OE1 2.81Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 3.25Å; E89-K275 WeakPolarHBondContact O-CE 3.02Å; E89-K275 PolarHBondContact O-NZ 2.05Å |
| 90 | E | 94.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 37.5 Ų | 37.5 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -106.5 | -12.4 | -172.2 | -62.5 | -57.8 | 158.8 | 0 | 0 | 114.7 | I86 I87 E88 L242 T247 N251 Y285 R289 | I86-E90 WeakPolarHBondContact O-CG 3.21Å; I87-E90 PolarHBondContact O-N 3.11Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 3.17Å; E90-L242 HydrophobicContact CB-CD2 4.19Å; E90-L242 HydrophobicContact CG-CD2 4.45Å; E90-T247 HydrophobicContact CB-CG2 3.78Å; E90-N251 PolarHBondContact O-ND2 2.65Å; E90-Y285 HydrophobicContact CG-CE2 4.28Å; E90-Y285 WeakPolarHBondContact OE2-CE2 3.19Å; E90-R289 WeakPolarHBondContact OE1-CD 3.22Å; E90-R289 IonicContact OE1-CZ 3.28Å; E90-R289 IonicContact OE1-NE 3.29Å; E90-R289 IonicContact OE1-NH1 2.89Å; E90-R289 PolarHBondContact OE1-NH1 3.44Å |
| 91 | T | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -134.8 | 168.5 | -175.8 | 76.2 | 0 | 0 | 0 | 0 | 112.1 | I87 E88 I93 L250 K275 | I87-T91 HydrophobicContact CG2-CG2 4.4Å; I87-T91 WeakPolarHBondContact O-CB 3.13Å; I87-T91 WeakPolarHBondContact O-CG2 3.49Å; I87-T91 PolarHBondContact O-N 3.24Å; I87-T91 PolarHBondContact O-OG1 3.39Å; E88-T91 VanDerWaalsContact O-O 3.04Å; T91-I93 PolarHBondContact O-N 2.95Å; T91-I93 WeakPolarHBondContact OG1-CB 3.12Å; T91-I93 PolarHBondContact OG1-N 3.11Å; T91-L250 HydrophobicContact CG2-CB 3.84Å; T91-L250 HydrophobicContact CG2-CD1 4.18Å; T91-K275 WeakPolarHBondContact O-CD 3.38Å |
| 92 | C | 96.5 | Very high | 92 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 29% | 0.291 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78.8 | 1.4 | 171.6 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | C256 | C92-C256 HydrophobicContact CB-CB 3.54Å; C92-C256 WeakPolarHBondContact CB-SG 3.02Å; C92-C256 PolarHBondContact N-SG 2.76Å; C92-C256 WeakPolarHBondContact SG-CA 2.95Å; C92-C256 WeakPolarHBondContact SG-CB 3.49Å; C92-C256 CovalentContact SG-SG 2.04Å; C92-C256 PolarHBondContact SG-SG 3.13Å |
| 93 | I | 98 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -72.9 | 143.3 | 179.2 | -60.9 | 163.8 | 0 | 0 | 0 | 108.6 | G51 V53 I87 T91 F95 L157 L250 Y254 | G51-I93 CarbonylContact O-C 3.52Å; G51-I93 VanDerWaalsContact O-CA 3.3Å; G51-I93 WeakPolarHBondContact O-CA 3.2Å; G51-I93 WeakPolarHBondContact O-CG2 3.46Å; V53-I93 HydrophobicContact CG2-CG2 4.04Å; I87-I93 HydrophobicContact CG2-CB 4.15Å; I87-I93 HydrophobicContact CG2-CD1 4.18Å; I87-I93 HydrophobicContact CG2-CG2 4.24Å; T91-I93 PolarHBondContact O-N 2.95Å; T91-I93 WeakPolarHBondContact OG1-CB 3.12Å; T91-I93 PolarHBondContact OG1-N 3.11Å; I93-F95 HydrophobicContact CG2-CE2 4.31Å; I93-F95 HydrophobicContact CG2-CZ 4.4Å; I93-L157 HydrophobicContact CD1-CD1 3.84Å; I93-L157 HydrophobicContact CD1-CD2 4Å; I93-L157 HydrophobicContact CD1-CG 4.43Å; I93-L157 HydrophobicContact CG2-CD2 3.81Å; I93-L250 HydrophobicContact CD1-CB 4.39Å; I93-L250 HydrophobicContact CD1-CD2 4.24Å; I93-Y254 HydrophobicContact CD1-CD2 3.68Å; I93-Y254 HydrophobicContact CD1-CE2 3.83Å; I93-Y254 HydrophobicContact CD1-CG 4.08Å; I93-Y254 HydrophobicContact CG1-CD1 4.15Å; I93-Y254 HydrophobicContact CG1-CD2 4.07Å; I93-Y254 HydrophobicContact CG1-CE1 4.43Å; I93-Y254 HydrophobicContact CG1-CE2 4.38Å; I93-Y254 HydrophobicContact CG1-CG 3.93Å | ||
| 94 | Q | 97.9 | Very high | 88.1 | Confident | 95 Ų | 95 | 50 Ų | 50 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.1 | -177.9 | -62.8 | -68.4 | -71.4 | 0 | 0 | 110.3 | G51 V53 | G51-Q94 PolarHBondContact O-N 3.26Å; V53-Q94 PolarHBondContact N-O 3.11Å |
| 95 | F | 97.6 | Very high | 86.1 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.2 | 177.3 | -66.3 | -83.8 | 0 | 0 | 0 | 110.7 | V53 Y55 M84 I87 E88 I93 L153 | V53-F95 HydrophobicContact CB-CD1 3.76Å; V53-F95 HydrophobicContact CB-CE1 3.98Å; V53-F95 HydrophobicContact CG1-CD1 3.89Å; V53-F95 HydrophobicContact CG1-CE1 3.94Å; V53-F95 HydrophobicContact CG2-CD1 4.47Å; V53-F95 HydrophobicContact CG2-CE1 4.29Å; V53-F95 WeakPolarHBondContact O-CA 3.21Å; Y55-F95 HydrophobicContact CD1-CB 3.87Å; Y55-F95 HydrophobicContact CE1-CB 3.73Å; M84-F95 HydrophobicContact CB-CB 4.32Å; M84-F95 HydrophobicContact CB-CD2 3.56Å; M84-F95 HydrophobicContact CB-CE2 4.01Å; M84-F95 HydrophobicContact CB-CG 3.96Å; M84-F95 HydrophobicContact CE-CD1 4.15Å; M84-F95 HydrophobicContact CE-CG 4.49Å; M84-F95 HydrophobicContact CG-CB 4.2Å; M84-F95 HydrophobicContact CG-CD1 4.02Å; M84-F95 HydrophobicContact CG-CD2 3.73Å; M84-F95 HydrophobicContact CG-CE1 4.33Å; M84-F95 HydrophobicContact CG-CE2 4.06Å; M84-F95 HydrophobicContact CG-CG 3.71Å; M84-F95 HydrophobicContact CG-CZ 4.35Å; M84-F95 HydrophobicContact SD-CB 3.97Å; M84-F95 HydrophobicContact SD-CD1 4.3Å; M84-F95 HydrophobicContact SD-CG 4.05Å; I87-F95 HydrophobicContact CB-CE2 3.98Å; I87-F95 HydrophobicContact CD1-CE2 4.2Å; I87-F95 HydrophobicContact CD1-CZ 4.03Å; I87-F95 HydrophobicContact CG2-CE2 3.96Å; I87-F95 HydrophobicContact CG2-CZ 4.4Å; E88-F95 HydrophobicContact CG-CD2 3.8Å; E88-F95 HydrophobicContact CG-CE2 4.38Å; E88-F95 WeakPolarHBondContact OE1-CB 3.36Å; E88-F95 PolarHBondContact OE1-N 3.25Å; I93-F95 HydrophobicContact CG2-CE2 4.31Å; I93-F95 HydrophobicContact CG2-CZ 4.4Å; F95-L153 HydrophobicContact CE1-CD2 3.81Å; F95-L153 HydrophobicContact CZ-CD1 4.39Å; F95-L153 HydrophobicContact CZ-CD2 4.15Å |
| 96 | Y | 94.4 | Very high | 84.4 | Confident | 116 Ų | 116 | 67 Ų | 67 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107 | -176.5 | -170 | -110.6 | 0 | 0 | 0 | 111.7 | V53 P54 Y55 L98 R101 | V53-Y96 PolarHBondContact O-N 3Å; P54-Y96 WeakPolarHBondContact CA-O 3.34Å; Y55-Y96 WeakPolarHBondContact CD1-O 3.32Å; Y55-Y96 PolarHBondContact N-O 2.81Å; Y96-L98 HydrophobicContact CD1-CD2 3.5Å; Y96-L98 VanDerWaalsContact CD1-CD2 3.5Å; Y96-L98 HydrophobicContact CD1-CG 4.01Å; Y96-L98 HydrophobicContact CE1-CD2 3.4Å; Y96-L98 HydrophobicContact CE1-CG 4.39Å; Y96-L98 PolarHBondContact O-N 3.37Å; Y96-R101 PolarHBondContact OH-NH2 3.47Å |
| 97 | D | 93.4 | Very high | 82.8 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 113.5 | -177.2 | -165.1 | -12 | 0 | 0 | 0 | 111.5 | Y55 K81 T99 | Y55-D97 VanDerWaalsContact CE1-CA 3.49Å; Y55-D97 HydrophobicContact CE1-CB 3.82Å; Y55-D97 HydrophobicContact CE2-CB 4.25Å; Y55-D97 WeakPolarHBondContact OH-CB 3.48Å; Y55-D97 PolarHBondContact OH-OD2 2.92Å; K81-D97 IonicContact NZ-OD2 3.81Å; K81-D97 PolarHBondContact NZ-OD2 2.78Å; D97-T99 WeakPolarHBondContact OD1-CB 3.39Å; D97-T99 PolarHBondContact OD1-N 2.55Å; D97-T99 PolarHBondContact OD1-OG1 2.81Å |
| 98 | L | 91.3 | Very high | 80.9 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | trans | -105.8 | 5.9 | 174.2 | -59.7 | 176 | 0 | 0 | 0 | 112.4 | P54 Y55 I56 Y96 S100 R101 F107 L112 | P54-L98 HydrophobicContact CB-CD1 3.7Å; P54-L98 HydrophobicContact CB-CG 4.39Å; Y55-L98 WeakPolarHBondContact O-CA 3.27Å; Y55-L98 VanDerWaalsContact O-CB 3.32Å; Y55-L98 WeakPolarHBondContact O-CB 3.21Å; Y55-L98 PolarHBondContact O-N 3.22Å; I56-L98 HydrophobicContact CD1-CB 4.34Å; I56-L98 HydrophobicContact CG1-CB 3.7Å; Y96-L98 HydrophobicContact CD1-CD2 3.5Å; Y96-L98 VanDerWaalsContact CD1-CD2 3.5Å; Y96-L98 HydrophobicContact CD1-CG 4.01Å; Y96-L98 HydrophobicContact CE1-CD2 3.4Å; Y96-L98 HydrophobicContact CE1-CG 4.39Å; Y96-L98 PolarHBondContact O-N 3.37Å; L98-S100 PolarHBondContact O-N 2.98Å; L98-R101 WeakPolarHBondContact O-CB 3.29Å; L98-R101 PolarHBondContact O-N 2.82Å; L98-R101 VanDerWaalsContact O-N 3.15Å; L98-F107 HydrophobicContact CD1-CD1 4.08Å; L98-F107 HydrophobicContact CD1-CE1 4.05Å; L98-F107 HydrophobicContact CD2-CE1 4.24Å; L98-L112 HydrophobicContact CD1-CD2 4.27Å | ||
| 99 | T | 86.7 | Confident | 78.9 | Confident | 43 Ų | 43 | 78.5 Ų | 78.5 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -37.4 | -169.8 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | I57 I60 D97 R101 | I57-T99 HydrophobicContact CB-CG2 4.22Å; I57-T99 PolarHBondContact N-OG1 2.79Å; I57-T99 WeakPolarHBondContact O-CG2 3.35Å; I60-T99 HydrophobicContact CD1-CG2 3.83Å; D97-T99 WeakPolarHBondContact OD1-CB 3.39Å; D97-T99 PolarHBondContact OD1-N 2.55Å; D97-T99 PolarHBondContact OD1-OG1 2.81Å; T99-R101 PolarHBondContact O-N 3.22Å |
| 100 | S | 78.1 | Confident | 77.9 | Confident | 105 Ų | 105 | 80.2 Ų | 80.2 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -3.2 | -179.6 | 59 | 0 | 0 | 0 | 0 | 114.1 | L98 T102 | L98-S100 PolarHBondContact O-N 2.98Å; S100-T102 PolarHBondContact O-N 3.34Å |
| 101 | R | 72.5 | Confident | 77.5 | Confident | 96 Ų | 96 | 82.2 Ų | 82.2 | 36% | 0.362 | 39% | 0.392 | S | S | . | . | trans | -83 | 109.2 | -175 | -63 | -170.9 | 178.9 | -168.3 | -7.6 | 110.7 | Y96 L98 T99 N103 F107 | Y96-R101 PolarHBondContact OH-NH2 3.47Å; L98-R101 WeakPolarHBondContact O-CB 3.29Å; L98-R101 PolarHBondContact O-N 2.82Å; L98-R101 VanDerWaalsContact O-N 3.15Å; T99-R101 PolarHBondContact O-N 3.22Å; R101-N103 VanDerWaalsContact C-N 3.25Å; R101-N103 PolarHBondContact O-N 3.18Å; R101-F107 HydrophobicContact CB-CE2 3.58Å; R101-F107 HydrophobicContact CB-CZ 3.6Å; R101-F107 VanDerWaalsContact CD-CZ 3.5Å; R101-F107 HydrophobicContact CG-CZ 4.2Å | ||
| 102 | T | 55.5 | Low | 77.3 | Confident | 143 Ų | 143 | 82.3 Ų | 82.3 | 88% | 0.877 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -62.9 | -22.5 | -173.1 | 54 | 0 | 0 | 0 | 0 | 114.9 | S100 T104 | S100-T102 PolarHBondContact O-N 3.34Å; T102-T104 PolarHBondContact O-N 3.44Å; T102-T104 VanDerWaalsContact O-N 3.14Å |
| 103 | N | 57.7 | Low | 77.3 | Confident | 72 Ų | 72 | 80.3 Ų | 80.3 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | trans | -90.6 | 72 | -178.9 | -162.4 | -23.8 | 0 | 0 | 0 | 112.3 | R101 R105 R106 F107 | R101-N103 VanDerWaalsContact C-N 3.25Å; R101-N103 PolarHBondContact O-N 3.18Å; N103-R105 PolarHBondContact O-N 3.06Å; N103-R106 PolarHBondContact O-N 2.9Å; N103-F107 VanDerWaalsContact O-CD2 3.26Å; N103-F107 WeakPolarHBondContact O-CD2 3.42Å; N103-F107 VanDerWaalsContact O-CE2 3.25Å; N103-F107 WeakPolarHBondContact O-CE2 3.48Å | ||
| 104 | T | 57 | Low | 77.1 | Confident | 71 Ų | 71 | 81.2 Ų | 81.2 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -57.5 | -30 | 179.2 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | T102 R106 F107 Y108 | T102-T104 PolarHBondContact O-N 3.44Å; T102-T104 VanDerWaalsContact O-N 3.14Å; T104-R106 VanDerWaalsContact C-N 3.29Å; T104-R106 PolarHBondContact O-N 3.48Å; T104-F107 PolarHBondContact O-N 2.93Å; T104-F107 VanDerWaalsContact O-N 3.14Å; T104-Y108 WeakPolarHBondContact O-CD2 3.47Å |
| 105 | R | 56.1 | Low | 76.9 | Confident | 213 Ų | 213 | 76.7 Ų | 76.7 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -59.8 | -34.7 | 178.4 | -78.3 | -171.8 | -179.1 | -174 | 1.4 | 113.2 | N103 F107 | N103-R105 PolarHBondContact O-N 3.06Å; R105-F107 PolarHBondContact O-N 3.36Å |
| 106 | R | 61.1 | Low | 76.7 | Confident | 176 Ų | 176 | 78.6 Ų | 78.6 | 66% | 0.664 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -73.9 | -7.6 | 179.4 | -76.6 | -175.2 | 175.9 | 175.1 | 0.2 | 114.6 | N103 T104 R110 | N103-R106 PolarHBondContact O-N 2.9Å; T104-R106 VanDerWaalsContact C-N 3.29Å; T104-R106 PolarHBondContact O-N 3.48Å; R106-R110 PolarHBondContact O-NE 2.72Å; R106-R110 VanDerWaalsContact O-NE 3.17Å |
| 107 | F | 63 | Low | 76.4 | Confident | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -102.4 | -12.1 | -175 | -62.4 | -60 | 0 | 0 | 0 | 113.9 | I56 L98 R101 N103 T104 R105 D109 R110 L112 | I56-F107 HydrophobicContact CD1-CB 4.21Å; I56-F107 HydrophobicContact CD1-CD2 4.19Å; I56-F107 HydrophobicContact CD1-CG 4.22Å; L98-F107 HydrophobicContact CD1-CD1 4.08Å; L98-F107 HydrophobicContact CD1-CE1 4.05Å; L98-F107 HydrophobicContact CD2-CE1 4.24Å; R101-F107 HydrophobicContact CB-CE2 3.58Å; R101-F107 HydrophobicContact CB-CZ 3.6Å; R101-F107 VanDerWaalsContact CD-CZ 3.5Å; R101-F107 HydrophobicContact CG-CZ 4.2Å; N103-F107 VanDerWaalsContact O-CD2 3.26Å; N103-F107 WeakPolarHBondContact O-CD2 3.42Å; N103-F107 VanDerWaalsContact O-CE2 3.25Å; N103-F107 WeakPolarHBondContact O-CE2 3.48Å; T104-F107 PolarHBondContact O-N 2.93Å; T104-F107 VanDerWaalsContact O-N 3.14Å; R105-F107 PolarHBondContact O-N 3.36Å; F107-D109 PolarHBondContact O-N 2.81Å; F107-R110 PolarHBondContact O-N 3.41Å; F107-R110 VanDerWaalsContact O-N 3.16Å; F107-L112 HydrophobicContact CB-CD2 3.82Å; F107-L112 HydrophobicContact CD1-CD2 4.45Å; F107-L112 HydrophobicContact CG-CD2 4.44Å |
| 108 | Y | 57.6 | Low | 76.1 | Confident | 133 Ų | 133 | 75.7 Ų | 75.7 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.7 | -178.3 | -80.4 | -84.5 | 0 | 0 | 0 | 112.7 | T104 N134 | T104-Y108 WeakPolarHBondContact O-CD2 3.47Å; Y108-N134 PolarHBondContact O-ND2 3.29Å |
| 109 | D | 57 | Low | 75.3 | Confident | 148 Ų | 148 | 77.8 Ų | 77.8 | 79% | 0.791 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 6.8 | -178.5 | -57.3 | -33.1 | 0 | 0 | 0 | 114.1 | F107 | F107-D109 PolarHBondContact O-N 2.81Š|
| 110 | R | 72.8 | Confident | 74.5 | Confident | 119 Ų | 119 | 82.2 Ų | 82.2 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -101.8 | 147.2 | -176.8 | -59.3 | -165.7 | -164.9 | -162 | -9.6 | 112.3 | R106 F107 L112 N134 | R106-R110 PolarHBondContact O-NE 2.72Å; R106-R110 VanDerWaalsContact O-NE 3.17Å; F107-R110 PolarHBondContact O-N 3.41Å; F107-R110 VanDerWaalsContact O-N 3.16Å; R110-L112 HydrophobicContact CB-CD2 4.25Å; R110-L112 PolarHBondContact O-N 3.46Å; R110-N134 PolarHBondContact O-N 3.33Å |
| 111 | H | 87.8 | Confident | 74.1 | Confident | 71 Ų | 71 | 88 Ų | 88 | 33% | 0.329 | 40% | 0.4 | S | S | . | . | trans | -68.9 | 107.2 | 165.2 | -54.2 | -79.6 | 0 | 0 | 0 | 108.9 | W48 M129 M130 N132 | W48-H111 HydrophobicContact CZ3-CB 4.17Å; H111-M129 HydrophobicContact CB-CG 4.24Å; H111-M129 HydrophobicContact CB-SD 3.72Å; H111-M130 PolarHBondContact ND1-O 2.95Å; H111-N132 PolarHBondContact CE1-N 3.05Å | ||
| 112 | L | 92 | Very high | 74.6 | Confident | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | trans | -155 | 161.9 | 177.1 | 65.7 | 84.9 | 0 | 0 | 0 | 110.6 | P54 I56 L98 F107 R110 R114 N134 Q135 | P54-L112 HydrophobicContact CB-CB 4Å; P54-L112 CarbonylContact O-C 3.55Å; P54-L112 VanDerWaalsContact O-CA 3.24Å; P54-L112 WeakPolarHBondContact O-CA 3.42Å; P54-L112 WeakPolarHBondContact O-CB 3.43Å; I56-L112 HydrophobicContact CD1-CD1 4.31Å; I56-L112 HydrophobicContact CD1-CD2 4.05Å; I56-L112 HydrophobicContact CG1-CD1 4.48Å; L98-L112 HydrophobicContact CD1-CD2 4.27Å; F107-L112 HydrophobicContact CB-CD2 3.82Å; F107-L112 HydrophobicContact CD1-CD2 4.45Å; F107-L112 HydrophobicContact CG-CD2 4.44Å; R110-L112 HydrophobicContact CB-CD2 4.25Å; R110-L112 PolarHBondContact O-N 3.46Å; L112-R114 HydrophobicContact CD1-CG 3.4Å; L112-N134 HydrophobicContact CD1-CB 3.7Å; L112-N134 HydrophobicContact CG-CB 3.8Å; L112-N134 WeakPolarHBondContact O-CA 3.1Å; L112-Q135 PolarHBondContact O-N 2.88Å | ||
| 113 | I | 95.3 | Very high | 76.2 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.9 | 170.8 | -59 | -179 | 0 | 0 | 0 | 109.7 | W48 V53 P54 Y55 I56 I115 Q135 L137 A156 | W48-I113 HydrophobicContact CH2-CG1 3.86Å; W48-I113 HydrophobicContact CZ2-CD1 3.97Å; W48-I113 HydrophobicContact CZ2-CG1 3.53Å; V53-I113 HydrophobicContact CG1-CD1 3.38Å; V53-I113 HydrophobicContact CG1-CG1 3.92Å; P54-I113 PolarHBondContact O-N 3.41Å; Y55-I113 CarbonylContact C-O 3.59Å; Y55-I113 WeakPolarHBondContact CA-O 3.43Å; I56-I113 PolarHBondContact N-O 3.19Å; I113-I115 HydrophobicContact CG2-CG1 3.89Å; I113-Q135 CarbonylContact C-O 3.51Å; I113-Q135 WeakPolarHBondContact CA-O 3.36Å; I113-Q135 HydrophobicContact CG1-CG 4.02Å; I113-L137 HydrophobicContact CG2-CB 3.5Å; I113-L137 VanDerWaalsContact CG2-CB 3.5Å; I113-L137 HydrophobicContact CG2-CD1 4.14Å; I113-L137 HydrophobicContact CG2-CG 4.48Å; I113-A156 HydrophobicContact CD1-CB 3.55Å |
| 114 | R | 93.5 | Very high | 77.9 | Confident | 19 Ų | 19 | 80.7 Ų | 80.7 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 107.8 | 167.8 | -60.5 | -166.8 | 73.3 | 98.2 | 1.6 | 109 | D58 L112 N134 Q135 V136 L137 | D58-R114 IonicContact OD1-CZ 3.75Å; D58-R114 IonicContact OD1-NE 2.89Å; D58-R114 IonicContact OD1-NH2 2.89Å; D58-R114 PolarHBondContact OD1-NH2 3.29Å; D58-R114 IonicContact OD2-CZ 3.3Å; D58-R114 IonicContact OD2-NE 2.97Å; D58-R114 PolarHBondContact OD2-NE 2.77Å; D58-R114 IonicContact OD2-NH2 2.92Å; D58-R114 PolarHBondContact OD2-NH2 3.35Å; L112-R114 HydrophobicContact CD1-CG 3.4Å; R114-N134 WeakPolarHBondContact CD-OD1 3.5Å; R114-N134 HydrophobicContact CG-CB 4.17Å; R114-Q135 PolarHBondContact N-O 3.22Å; R114-V136 WeakPolarHBondContact O-CA 3.35Å; R114-L137 PolarHBondContact O-N 3.12Å |
| 115 | I | 95.4 | Very high | 79.7 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.7 | 178 | -56.2 | 178 | 0 | 0 | 0 | 107.5 | Y55 I56 I57 D58 F72 I80 M84 I113 L137 L139 | Y55-I115 HydrophobicContact CD2-CD1 4.14Å; I56-I115 PolarHBondContact O-N 2.74Å; I57-I115 HydrophobicContact CG1-CB 4.41Å; I57-I115 HydrophobicContact CG1-CD1 4.21Å; D58-I115 PolarHBondContact N-O 3.38Å; F72-I115 HydrophobicContact CE2-CG2 3.97Å; F72-I115 HydrophobicContact CZ-CG2 3.94Å; I80-I115 HydrophobicContact CD1-CG2 3.97Å; I80-I115 HydrophobicContact CG2-CD1 3.77Å; M84-I115 HydrophobicContact CE-CD1 3.39Å; I113-I115 HydrophobicContact CG2-CG1 3.89Å; I115-L137 WeakPolarHBondContact CA-O 3.49Å; I115-L137 HydrophobicContact CG1-CB 4.39Å; I115-L137 HydrophobicContact CG2-CD2 4.45Å; I115-L139 HydrophobicContact CG2-CD1 3.64Å; I115-L139 HydrophobicContact CG2-CG 4.29Å |
| 116 | K | 93.2 | Very high | 81.5 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.3 | -173.6 | -66.9 | -170.5 | 171.3 | -170.8 | 0 | 111.6 | D58 F72 V136 L137 L139 | D58-K116 HydrophobicContact CB-CG 3.97Å; D58-K116 WeakPolarHBondContact OD2-CE 3.34Å; F72-K116 VanDerWaalsContact CZ-C 3.41Å; K116-V136 HydrophobicContact CB-CG1 4.28Å; K116-V136 HydrophobicContact CD-CG1 4.13Å; K116-V136 HydrophobicContact CD-CG2 4.26Å; K116-V136 HydrophobicContact CG-CG1 4.29Å; K116-L137 PolarHBondContact N-O 2.48Å; K116-L139 PolarHBondContact O-N 2.93Å |
| 117 | G | 88.3 | Confident | 83 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -96.4 | -30.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | D59 E70 L139 | D59-G117 PolarHBondContact OD2-N 2.96Å; E70-G117 CarbonylContact O-C 3.5Å; E70-G117 WeakPolarHBondContact O-CA 3.08Å; G117-L139 WeakPolarHBondContact CA-O 3.06Å | ||
| 118 | R | 86.1 | Confident | 84.4 | Confident | 106 Ų | 106 | 64 Ų | 64 | 40% | 0.4 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -81.1 | 156.7 | -176.2 | -63.8 | -178.9 | 66.6 | -167.9 | -3.1 | 112.1 | D59 E70 R138 | D59-R118 HydrophobicContact CB-CG 3.93Å; D59-R118 WeakPolarHBondContact OD1-CD 3.45Å; D59-R118 PolarHBondContact OD2-N 3.4Å; E70-R118 HydrophobicContact CB-CB 4.35Å; E70-R118 HydrophobicContact CB-CG 3.81Å; E70-R118 VanDerWaalsContact O-CG 3.31Å; E70-R118 WeakPolarHBondContact O-CG 3.5Å; E70-R118 PolarHBondContact O-N 3.47Å; E70-R118 VanDerWaalsContact O-N 3.16Å; E70-R118 IonicContact OE2-NE 2.65Å; R118-R138 PolarHBondContact O-NH1 3.34Å |
| 119 | G | 75.7 | Confident | 86.2 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 107.2 | -137.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 120 | Q | 69.7 | Low | 87.8 | Confident | 137 Ų | 137 | 54.2 Ų | 54.2 | 64% | 0.64 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -58.1 | 142.7 | -173.6 | -70.8 | 176.7 | -23.8 | 0 | 0 | 112.6 | G122 | Q120-G122 PolarHBondContact O-N 3.22Å; Q120-G122 VanDerWaalsContact O-N 3.07Å |
| 121 | R | 69.7 | Low | 88.4 | Confident | 227 Ų | 227 | 57 Ų | 57 | 86% | 0.857 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -74.9 | 92.4 | 172.7 | -65.4 | -178.7 | -178.7 | 162 | 0.6 | 108.2 | ||
| 122 | G | 81.5 | Confident | 88 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 164.3 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q120 G140 | Q120-G122 PolarHBondContact O-N 3.22Å; Q120-G122 VanDerWaalsContact O-N 3.07Å; G122-G140 WeakPolarHBondContact O-CA 3.37Å; G122-G140 PolarHBondContact O-N 3.28Å |
| 123 | C | 90.4 | Very high | 87.6 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.9 | 175.6 | 14.9 | 0 | 0 | 0 | 0 | 108.8 | R138 C143 E152 | C123-R138 VanDerWaalsContact CA-O 3.29Å; C123-R138 WeakPolarHBondContact CA-O 3.37Å; C123-C143 HydrophobicContact CB-CB 3.37Å; C123-C143 WeakPolarHBondContact CB-SG 3.34Å; C123-C143 PolarHBondContact N-SG 3.02Å; C123-C143 WeakPolarHBondContact SG-CB 3.44Å; C123-C143 CovalentContact SG-SG 2.05Å; C123-C143 PolarHBondContact SG-SG 3.49Å; C123-E152 HydrophobicContact CB-CG 3.85Å; C123-E152 WeakPolarHBondContact CB-OE1 3.33Å |
| 124 | Y | 93 | Very high | 87.2 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 35% | 0.353 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 157.1 | 172.2 | 65 | -96 | 0 | 0 | 0 | 110.3 | R138 E152 | Y124-R138 HydrophobicContact CD1-CB 3.58Å; Y124-R138 HydrophobicContact CD1-CG 4Å; Y124-R138 HydrophobicContact CD2-CB 4.26Å; Y124-R138 HydrophobicContact CE1-CB 3.35Å; Y124-R138 HydrophobicContact CE1-CG 3.57Å; Y124-R138 HydrophobicContact CE2-CB 4.07Å; Y124-R138 HydrophobicContact CG-CB 4.03Å; Y124-R138 PolarHBondContact N-O 2.87Å; Y124-R138 PolarHBondContact O-N 3.43Å; Y124-R138 PolarHBondContact OH-NE 2.98Å; Y124-R138 PolarHBondContact OH-NH2 3.02Å; Y124-E152 WeakPolarHBondContact CA-OE2 3.41Å |
| 125 | S | 94.7 | Very high | 87.2 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | trans | -147.4 | 158.7 | 177.8 | -172 | 0 | 0 | 0 | 0 | 109.8 | E152 A156 | S125-E152 WeakPolarHBondContact CB-O 3.16Å; S125-E152 WeakPolarHBondContact CB-OE2 3.16Å; S125-E152 PolarHBondContact N-OE2 3.44Å; S125-E152 PolarHBondContact OG-O 3.4Å; S125-A156 WeakPolarHBondContact OG-CB 3.21Å; S125-A156 PolarHBondContact OG-N 2.98Å | ||
| 126 | S | 93.5 | Very high | 87.1 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | trans | -81 | 145.4 | 172.4 | -60 | 0 | 0 | 0 | 0 | 110 | G128 M130 H155 A156 | S126-G128 PolarHBondContact O-N 2.93Å; S126-M130 PolarHBondContact OG-SD 3.27Å; S126-H155 CarbonylContact O-C 3.54Å; S126-H155 VanDerWaalsContact O-C 3.28Å; S126-H155 VanDerWaalsContact O-O 3.08Å; S126-A156 VanDerWaalsContact O-CA 3.3Å; S126-A156 WeakPolarHBondContact O-CA 3.46Å; S126-A156 PolarHBondContact O-N 2.95Å | ||
| 127 | L | 92.3 | Very high | 87.2 | Confident | 69 Ų | 69 | 65 Ų | 65 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -72.4 | 114.2 | 173 | -63.4 | 176.9 | 0 | 0 | 0 | 109.9 | M42 I45 H155 V159 M160 | M42-L127 HydrophobicContact CE-CD1 3.95Å; I45-L127 VanDerWaalsContact CD1-C 3.47Å; I45-L127 HydrophobicContact CD1-CB 3.79Å; I45-L127 WeakPolarHBondContact CD1-O 3.27Å; L127-H155 CarbonylContact C-O 3.59Å; L127-H155 VanDerWaalsContact CA-O 3.29Å; L127-H155 WeakPolarHBondContact CA-O 3.19Å; L127-H155 HydrophobicContact CD2-CB 4.03Å; L127-H155 WeakPolarHBondContact CD2-ND1 3.48Å; L127-V159 VanDerWaalsContact CD2-O 3.32Å; L127-V159 WeakPolarHBondContact CD2-O 3.42Å; L127-M160 HydrophobicContact CD1-CG 4.39Å |
| 128 | G | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 71.7 | -168.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S126 Q135 H155 A156 | S126-G128 PolarHBondContact O-N 2.93Å; G128-Q135 PolarHBondContact O-NE2 3.05Å; G128-Q135 PolarHBondContact O-OE1 3.18Å; G128-H155 PolarHBondContact N-O 2.76Å; G128-A156 CarbonylContact C-O 3.58Å; G128-A156 WeakPolarHBondContact CA-O 3.35Å |
| 129 | M | 94.4 | Very high | 87.9 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 127.9 | 176 | -172.8 | -174.8 | 69.8 | 0 | 0 | 111.3 | I46 W48 P49 H111 | I46-M129 WeakPolarHBondContact CB-O 3.24Å; I46-M129 HydrophobicContact CG2-CB 4.28Å; I46-M129 HydrophobicContact CG2-CE 3.57Å; I46-M129 PolarHBondContact O-N 3.14Å; W48-M129 HydrophobicContact CD2-CB 3.79Å; W48-M129 HydrophobicContact CD2-CG 3.86Å; W48-M129 HydrophobicContact CD2-SD 4.24Å; W48-M129 HydrophobicContact CE3-CB 4.24Å; W48-M129 HydrophobicContact CE3-CG 3.78Å; W48-M129 HydrophobicContact CE3-SD 3.78Å; W48-M129 HydrophobicContact CG-CB 4.06Å; W48-M129 HydrophobicContact CH2-CG 3.93Å; W48-M129 HydrophobicContact CZ2-CB 4.15Å; W48-M129 HydrophobicContact CZ2-CG 4.01Å; W48-M129 HydrophobicContact CZ3-CG 3.81Å; W48-M129 HydrophobicContact CZ3-SD 4.05Å; P49-M129 VanDerWaalsContact CD-SD 3.53Å; P49-M129 HydrophobicContact CG-CE 4.29Å; P49-M129 HydrophobicContact CG-SD 4.33Å; H111-M129 HydrophobicContact CB-CG 4.24Å; H111-M129 HydrophobicContact CB-SD 3.72Å |
| 130 | M | 90.9 | Very high | 88.6 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 26% | 0.261 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 136.3 | 173.8 | -59.1 | -167.5 | 101.2 | 0 | 0 | 112.8 | H111 S126 K133 Q135 | H111-M130 PolarHBondContact ND1-O 2.95Å; S126-M130 PolarHBondContact OG-SD 3.27Å; M130-K133 HydrophobicContact CB-CG 3.94Å; M130-K133 HydrophobicContact SD-CD 4.39Å; M130-K133 WeakPolarHBondContact SD-CE 3.37Å; M130-Q135 HydrophobicContact CB-CB 4.27Å; M130-Q135 HydrophobicContact CG-CB 3.75Å; M130-Q135 HydrophobicContact SD-CB 3.56Å; M130-Q135 VanDerWaalsContact SD-CB 3.56Å |
| 131 | R | 84.8 | Confident | 89.2 | Confident | 179 Ų | 179 | 54 Ų | 54 | 68% | 0.675 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 137.8 | 173.7 | -75.8 | -178.6 | 176.5 | 176.8 | 6.4 | 111.8 | I46 K133 | I46-R131 HydrophobicContact CD1-CG 3.4Å; I46-R131 VanDerWaalsContact CD1-CG 3.4Å; R131-K133 PolarHBondContact O-N 3.43Å; R131-K133 VanDerWaalsContact O-N 3.11Å |
| 132 | N | 79.8 | Confident | 89.7 | Confident | 142 Ų | 142 | 47.1 Ų | 47.1 | 76% | 0.759 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 27.6 | 168.6 | -53.8 | -21.3 | 0 | 0 | 0 | 115.3 | H111 | H111-N132 PolarHBondContact CE1-N 3.05Š|
| 133 | K | 83.8 | Confident | 89.9 | Confident | 104 Ų | 104 | 46.2 Ų | 46.2 | 45% | 0.452 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -158.6 | 156.1 | 173.1 | 61.6 | -174.7 | 177.3 | 167.8 | 0 | 110.7 | M130 R131 | M130-K133 HydrophobicContact CB-CG 3.94Å; M130-K133 HydrophobicContact SD-CD 4.39Å; M130-K133 WeakPolarHBondContact SD-CE 3.37Å; R131-K133 PolarHBondContact O-N 3.43Å; R131-K133 VanDerWaalsContact O-N 3.11Å |
| 134 | N | 87.6 | Confident | 90 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -68.4 | 150.6 | 158.8 | 60.7 | 74.1 | 0 | 0 | 0 | 110.1 | Y108 R110 L112 R114 | Y108-N134 PolarHBondContact O-ND2 3.29Å; R110-N134 PolarHBondContact O-N 3.33Å; L112-N134 HydrophobicContact CD1-CB 3.7Å; L112-N134 HydrophobicContact CG-CB 3.8Å; L112-N134 WeakPolarHBondContact O-CA 3.1Å; R114-N134 WeakPolarHBondContact CD-OD1 3.5Å; R114-N134 HydrophobicContact CG-CB 4.17Å | ||
| 135 | Q | 92.7 | Very high | 90 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.2 | 176.1 | 70.6 | -166 | 69.3 | 0 | 0 | 110.4 | W48 L112 I113 R114 G128 M130 | W48-Q135 HydrophobicContact CZ2-CG 4.4Å; L112-Q135 PolarHBondContact O-N 2.88Å; I113-Q135 CarbonylContact C-O 3.51Å; I113-Q135 WeakPolarHBondContact CA-O 3.36Å; I113-Q135 HydrophobicContact CG1-CG 4.02Å; R114-Q135 PolarHBondContact N-O 3.22Å; G128-Q135 PolarHBondContact O-NE2 3.05Å; G128-Q135 PolarHBondContact O-OE1 3.18Å; M130-Q135 HydrophobicContact CB-CB 4.27Å; M130-Q135 HydrophobicContact CG-CB 3.75Å; M130-Q135 HydrophobicContact SD-CB 3.56Å; M130-Q135 VanDerWaalsContact SD-CB 3.56Å |
| 136 | V | 93.1 | Very high | 90.1 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.3 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | R114 K116 | R114-V136 WeakPolarHBondContact O-CA 3.35Å; K116-V136 HydrophobicContact CB-CG1 4.28Å; K116-V136 HydrophobicContact CD-CG1 4.13Å; K116-V136 HydrophobicContact CD-CG2 4.26Å; K116-V136 HydrophobicContact CG-CG1 4.29Å |
| 137 | L | 95.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.8 | 161.5 | -170.6 | 165.9 | 0 | 0 | 0 | 106.3 | I113 R114 I115 K116 L139 E152 L153 | I113-L137 HydrophobicContact CG2-CB 3.5Å; I113-L137 VanDerWaalsContact CG2-CB 3.5Å; I113-L137 HydrophobicContact CG2-CD1 4.14Å; I113-L137 HydrophobicContact CG2-CG 4.48Å; R114-L137 PolarHBondContact O-N 3.12Å; I115-L137 WeakPolarHBondContact CA-O 3.49Å; I115-L137 HydrophobicContact CG1-CB 4.39Å; I115-L137 HydrophobicContact CG2-CD2 4.45Å; K116-L137 PolarHBondContact N-O 2.48Å; L137-L139 HydrophobicContact CD2-CD1 3.91Å; L137-L139 HydrophobicContact CD2-CD2 3.51Å; L137-L139 HydrophobicContact CD2-CG 3.43Å; L137-L139 VanDerWaalsContact CD2-CG 3.43Å; L137-E152 HydrophobicContact CD1-CB 4.19Å; L137-E152 HydrophobicContact CD2-CB 3.89Å; L137-E152 HydrophobicContact CG-CB 3.99Å; L137-L153 HydrophobicContact CD1-CD2 3.62Å; L137-L153 HydrophobicContact CD1-CG 4.14Å |
| 138 | R | 94.8 | Very high | 90.4 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 14% | 0.136 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.5 | -177.1 | -174 | 72.6 | 62.7 | -165.5 | 0.1 | 109.4 | R118 C123 Y124 | R118-R138 PolarHBondContact O-NH1 3.34Å; C123-R138 VanDerWaalsContact CA-O 3.29Å; C123-R138 WeakPolarHBondContact CA-O 3.37Å; Y124-R138 HydrophobicContact CD1-CB 3.58Å; Y124-R138 HydrophobicContact CD1-CG 4Å; Y124-R138 HydrophobicContact CD2-CB 4.26Å; Y124-R138 HydrophobicContact CE1-CB 3.35Å; Y124-R138 HydrophobicContact CE1-CG 3.57Å; Y124-R138 HydrophobicContact CE2-CB 4.07Å; Y124-R138 HydrophobicContact CG-CB 4.03Å; Y124-R138 PolarHBondContact N-O 2.87Å; Y124-R138 PolarHBondContact O-N 3.43Å; Y124-R138 PolarHBondContact OH-NE 2.98Å; Y124-R138 PolarHBondContact OH-NH2 3.02Å |
| 139 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 80.6 | 171.4 | -58 | 171.6 | 0 | 0 | 0 | 108.9 | F72 I80 I115 K116 G117 L137 R144 I149 E152 | F72-L139 HydrophobicContact CE1-CB 3.94Å; F72-L139 HydrophobicContact CZ-CB 3.93Å; F72-L139 HydrophobicContact CZ-CD1 4.37Å; I80-L139 HydrophobicContact CD1-CD1 4Å; I80-L139 HydrophobicContact CG1-CD1 3.84Å; I115-L139 HydrophobicContact CG2-CD1 3.64Å; I115-L139 HydrophobicContact CG2-CG 4.29Å; K116-L139 PolarHBondContact O-N 2.93Å; G117-L139 WeakPolarHBondContact CA-O 3.06Å; L137-L139 HydrophobicContact CD2-CD1 3.91Å; L137-L139 HydrophobicContact CD2-CD2 3.51Å; L137-L139 HydrophobicContact CD2-CG 3.43Å; L137-L139 VanDerWaalsContact CD2-CG 3.43Å; L139-R144 HydrophobicContact CB-CG 4.49Å; L139-R144 PolarHBondContact O-NE 3.48Å; L139-I149 HydrophobicContact CD1-CD1 4.41Å; L139-I149 HydrophobicContact CD1-CG1 3.85Å; L139-I149 HydrophobicContact CD1-CG2 4.3Å; L139-I149 HydrophobicContact CD2-CG1 4.03Å; L139-E152 HydrophobicContact CD2-CB 4.38Å; L139-E152 HydrophobicContact CD2-CG 4.14Å |
| 140 | G | 89.2 | Confident | 90.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -58 | 168.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G122 T142 C143 R144 | G122-G140 WeakPolarHBondContact O-CA 3.37Å; G122-G140 PolarHBondContact O-N 3.28Å; G140-T142 PolarHBondContact O-N 3.25Å; G140-C143 PolarHBondContact O-N 2.99Å; G140-R144 WeakPolarHBondContact O-CG 3.43Å | ||
| 141 | P | 82.9 | Confident | 91 | Very high | 25 Ų | 25 | 34.4 Ų | 34.4 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.1 | -173.6 | -28 | 35.4 | 0 | 0 | 0 | 115.2 | ||
| 142 | T | 81.2 | Confident | 91.6 | Very high | 82 Ų | 82 | 26.5 Ų | 26.5 | 50% | 0.503 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.8 | -179.8 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | G140 Q148 | G140-T142 PolarHBondContact O-N 3.25Å; T142-Q148 PolarHBondContact O-NE2 3.14Å; T142-Q148 PolarHBondContact O-OE1 2.95Å |
| 143 | C | 86.2 | Confident | 92.5 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.027 | 10% | 0.103 | C | C | . | . | trans | -119.3 | 30.9 | -171.2 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | C123 G140 | C123-C143 HydrophobicContact CB-CB 3.37Å; C123-C143 WeakPolarHBondContact CB-SG 3.34Å; C123-C143 PolarHBondContact N-SG 3.02Å; C123-C143 WeakPolarHBondContact SG-CB 3.44Å; C123-C143 CovalentContact SG-SG 2.05Å; C123-C143 PolarHBondContact SG-SG 3.49Å; G140-C143 PolarHBondContact O-N 2.99Å | ||
| 144 | R | 91 | Very high | 93.1 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.015 | 8% | 0.081 | C | C | . | . | trans | -111.9 | 15.4 | -167.6 | -56.1 | -170.7 | -177 | 164.5 | 4.6 | 114.1 | T69 E70 Y71 D76 L79 L139 G140 K314 | T69-R144 PolarHBondContact O-NH1 3.29Å; T69-R144 VanDerWaalsContact O-NH1 3.11Å; T69-R144 PolarHBondContact O-NH2 2.04Å; E70-R144 PolarHBondContact O-NH2 3.29Å; Y71-R144 PolarHBondContact O-NH1 2.93Å; D76-R144 WeakPolarHBondContact OD1-CD 3.19Å; D76-R144 IonicContact OD2-CZ 3.97Å; D76-R144 IonicContact OD2-NH1 2.78Å; D76-R144 PolarHBondContact OD2-NH1 3.35Å; L79-R144 WeakPolarHBondContact CD1-O 3.46Å; L139-R144 HydrophobicContact CB-CG 4.49Å; L139-R144 PolarHBondContact O-NE 3.48Å; G140-R144 WeakPolarHBondContact O-CG 3.43Å; R144-K314 WeakPolarHBondContact O-CE 3.5Å | ||
| 145 | T | 94 | Very high | 93.5 | Very high | 22 Ų | 22 | 13.7 Ų | 13.7 | 14% | 0.135 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -80.1 | 156.7 | 168.3 | 79.9 | 0 | 0 | 0 | 0 | 110.7 | G147 Q148 I149 S238 K314 | T145-G147 VanDerWaalsContact C-N 3.26Å; T145-G147 PolarHBondContact O-N 2.98Å; T145-Q148 PolarHBondContact O-N 2.79Å; T145-Q148 PolarHBondContact OG1-N 3.28Å; T145-Q148 PolarHBondContact OG1-OE1 3.15Å; T145-I149 WeakPolarHBondContact O-CD1 3.48Å; T145-I149 VanDerWaalsContact O-CG1 3.22Å; T145-I149 WeakPolarHBondContact O-CG1 3.49Å; T145-I149 PolarHBondContact O-N 2.94Å; T145-S238 WeakPolarHBondContact CB-O 3.42Å; T145-S238 VanDerWaalsContact OG1-CA 3.25Å; T145-S238 WeakPolarHBondContact OG1-CA 3.26Å; T145-S238 PolarHBondContact OG1-O 2.91Å; T145-K314 HydrophobicContact CG2-CG 4.3Å |
| 146 | V | 96.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.024 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.4 | -40.3 | 179.3 | 167.8 | 0 | 0 | 0 | 0 | 112 | L79 K82 A83 I86 I149 L150 P318 | L79-V146 HydrophobicContact CB-CG2 4.11Å; L79-V146 HydrophobicContact CD2-CG2 3.83Å; K82-V146 HydrophobicContact CB-CG2 4.16Å; K82-V146 HydrophobicContact CG-CG2 4.05Å; A83-V146 HydrophobicContact CB-CG1 4.26Å; I86-V146 HydrophobicContact CD1-CG1 3.49Å; I86-V146 VanDerWaalsContact CD1-CG1 3.49Å; V146-I149 PolarHBondContact O-N 2.98Å; V146-L150 HydrophobicContact CG1-CD1 3.91Å; V146-L150 HydrophobicContact CG1-CG 4.25Å; V146-L150 WeakPolarHBondContact O-CB 3.15Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.24Å; V146-L150 PolarHBondContact O-N 2.93Å; V146-P318 HydrophobicContact CB-CB 3.95Å; V146-P318 HydrophobicContact CB-CG 4.32Å; V146-P318 HydrophobicContact CG1-CB 4.31Å; V146-P318 HydrophobicContact CG2-CB 3.61Å; V146-P318 HydrophobicContact CG2-CG 3.79Å |
| 147 | G | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T145 I149 L150 H151 I207 I237 | T145-G147 VanDerWaalsContact C-N 3.26Å; T145-G147 PolarHBondContact O-N 2.98Å; G147-I149 VanDerWaalsContact C-N 3.34Å; G147-I149 PolarHBondContact O-N 2.9Å; G147-L150 WeakPolarHBondContact O-CB 3.4Å; G147-L150 PolarHBondContact O-N 3.26Å; G147-H151 PolarHBondContact O-N 3.48Å; G147-I207 WeakPolarHBondContact O-CD1 3.4Å; G147-I207 WeakPolarHBondContact O-CG1 3.25Å; G147-I237 CarbonylContact C-O 3.54Å; G147-I237 VanDerWaalsContact CA-O 3.27Å; G147-I237 WeakPolarHBondContact CA-O 3.34Å |
| 148 | Q | 95.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 12 Ų | 12 | 17% | 0.173 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.4 | -66.9 | 169.1 | -44.2 | 0 | 0 | 111.9 | T142 T145 H151 E152 I237 | T142-Q148 PolarHBondContact O-NE2 3.14Å; T142-Q148 PolarHBondContact O-OE1 2.95Å; T145-Q148 PolarHBondContact O-N 2.79Å; T145-Q148 PolarHBondContact OG1-N 3.28Å; T145-Q148 PolarHBondContact OG1-OE1 3.15Å; Q148-H151 WeakPolarHBondContact O-CB 3.4Å; Q148-H151 PolarHBondContact O-N 3.47Å; Q148-E152 PolarHBondContact O-N 3.33Å; Q148-E152 VanDerWaalsContact O-N 3.17Å; Q148-I237 HydrophobicContact CG-CG2 4.02Å |
| 149 | I | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 177.2 | -61.7 | 163.5 | 0 | 0 | 0 | 110.6 | L79 I80 A83 L139 T145 V146 G147 H151 E152 L153 | L79-I149 HydrophobicContact CB-CD1 4.1Å; I80-I149 HydrophobicContact CG1-CD1 3.88Å; A83-I149 HydrophobicContact CB-CB 3.83Å; A83-I149 HydrophobicContact CB-CG2 3.46Å; A83-I149 VanDerWaalsContact CB-CG2 3.46Å; L139-I149 HydrophobicContact CD1-CD1 4.41Å; L139-I149 HydrophobicContact CD1-CG1 3.85Å; L139-I149 HydrophobicContact CD1-CG2 4.3Å; L139-I149 HydrophobicContact CD2-CG1 4.03Å; T145-I149 WeakPolarHBondContact O-CD1 3.48Å; T145-I149 VanDerWaalsContact O-CG1 3.22Å; T145-I149 WeakPolarHBondContact O-CG1 3.49Å; T145-I149 PolarHBondContact O-N 2.94Å; V146-I149 PolarHBondContact O-N 2.98Å; G147-I149 VanDerWaalsContact C-N 3.34Å; G147-I149 PolarHBondContact O-N 2.9Å; I149-H151 VanDerWaalsContact C-N 3.31Å; I149-H151 PolarHBondContact O-N 2.63Å; I149-E152 PolarHBondContact O-N 2.91Å; I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.22Å; I149-L153 WeakPolarHBondContact O-CB 3.3Å; I149-L153 VanDerWaalsContact O-CG 3.25Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.11Å |
| 150 | L | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.5 | -44.1 | 174.2 | -78.4 | 171.2 | 0 | 0 | 0 | 111.4 | A83 I86 I87 V146 G147 E152 L153 L154 I207 Y241 | A83-L150 HydrophobicContact CB-CD2 4.18Å; A83-L150 HydrophobicContact CB-CG 4.05Å; A83-L150 VanDerWaalsContact O-CD2 3.24Å; A83-L150 WeakPolarHBondContact O-CD2 3.41Å; I86-L150 HydrophobicContact CB-CD2 4.27Å; I86-L150 HydrophobicContact CD1-CD1 4.26Å; I86-L150 HydrophobicContact CG2-CD1 4.34Å; I86-L150 HydrophobicContact CG2-CD2 4.25Å; I87-L150 HydrophobicContact CD1-CD2 3.82Å; I87-L150 HydrophobicContact CG1-CD2 3.7Å; V146-L150 HydrophobicContact CG1-CD1 3.91Å; V146-L150 HydrophobicContact CG1-CG 4.25Å; V146-L150 WeakPolarHBondContact O-CB 3.15Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.24Å; V146-L150 PolarHBondContact O-N 2.93Å; G147-L150 WeakPolarHBondContact O-CB 3.4Å; G147-L150 PolarHBondContact O-N 3.26Å; L150-E152 PolarHBondContact O-N 3.01Å; L150-L153 PolarHBondContact O-N 3.1Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CD1 3.24Å; L150-L154 PolarHBondContact O-N 3.02Å; L150-I207 HydrophobicContact CB-CG1 3.88Å; L150-Y241 HydrophobicContact CD1-CD2 4.42Å |
| 151 | H | 97 | Very high | 93.9 | Very high | 9 Ų | 9 | 11.5 Ų | 11.5 | 4% | 0.042 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -54.3 | -52.7 | 176.4 | -173.7 | 97.3 | 0 | 0 | 0 | 111.7 | G147 Q148 I149 L153 L154 H155 H161 I207 Y210 I237 | G147-H151 PolarHBondContact O-N 3.48Å; Q148-H151 WeakPolarHBondContact O-CB 3.4Å; Q148-H151 PolarHBondContact O-N 3.47Å; I149-H151 VanDerWaalsContact C-N 3.31Å; I149-H151 PolarHBondContact O-N 2.63Å; H151-L153 PolarHBondContact O-N 2.81Å; H151-L154 WeakPolarHBondContact O-CB 3.44Å; H151-L154 PolarHBondContact O-N 3.09Å; H151-H155 AromaticContact CD2-CD2 3.73Å; H151-H155 AromaticContact CD2-NE2 3.46Å; H151-H155 PolarHBondContact CD2-NE2 2.85Å; H151-H155 AromaticContact CE1-NE2 3.98Å; H151-H155 AromaticContact NE2-CD2 3.92Å; H151-H155 AromaticContact NE2-NE2 3.16Å; H151-H155 PolarHBondContact NE2-NE2 3.47Å; H151-H155 VanDerWaalsContact NE2-NE2 3.16Å; H151-H155 PolarHBondContact O-N 3.4Å; H151-H155 VanDerWaalsContact O-N 3.12Å; H151-H161 AromaticContact CE1-CD2 3.6Å; H151-H161 AromaticContact CE1-NE2 3.85Å; H151-H161 AromaticContact NE2-CD2 3.63Å; H151-H161 AromaticContact NE2-NE2 3.39Å; H151-H161 PolarHBondContact NE2-NE2 3.25Å; H151-I207 HydrophobicContact CB-CG1 4.23Å; H151-I207 PolarHBondContact ND1-O 3.25Å; H151-Y210 AromaticContact CE1-CE1 3.92Å; H151-Y210 AromaticContact NE2-CE1 3.91Å; H151-I237 HydrophobicContact CB-CG2 4.26Å |
| 152 | E | 97.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 10.4 Ų | 10.4 | 6% | 0.056 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.3 | -32.2 | -179.9 | -63.5 | -52.8 | 151.1 | 0 | 0 | 113.7 | C123 Y124 S125 L137 L139 Q148 I149 L150 H155 A156 | C123-E152 HydrophobicContact CB-CG 3.85Å; C123-E152 WeakPolarHBondContact CB-OE1 3.33Å; Y124-E152 WeakPolarHBondContact CA-OE2 3.41Å; S125-E152 WeakPolarHBondContact CB-O 3.16Å; S125-E152 WeakPolarHBondContact CB-OE2 3.16Å; S125-E152 PolarHBondContact N-OE2 3.44Å; S125-E152 PolarHBondContact OG-O 3.4Å; L137-E152 HydrophobicContact CD1-CB 4.19Å; L137-E152 HydrophobicContact CD2-CB 3.89Å; L137-E152 HydrophobicContact CG-CB 3.99Å; L139-E152 HydrophobicContact CD2-CB 4.38Å; L139-E152 HydrophobicContact CD2-CG 4.14Å; Q148-E152 PolarHBondContact O-N 3.33Å; Q148-E152 VanDerWaalsContact O-N 3.17Å; I149-E152 PolarHBondContact O-N 2.91Å; L150-E152 PolarHBondContact O-N 3.01Å; E152-H155 IonicContact OE2-CD2 3.28Å; E152-A156 PolarHBondContact O-N 2.9Å; E152-A156 VanDerWaalsContact O-N 3.07Å |
| 153 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 172.1 | -72.7 | 172.5 | 0 | 0 | 0 | 111 | A83 M84 I87 F95 L137 I149 L150 H151 H155 A156 L157 | A83-L153 HydrophobicContact CB-CD1 4Å; M84-L153 HydrophobicContact CE-CD2 4.41Å; M84-L153 HydrophobicContact CG-CD1 4.05Å; I87-L153 HydrophobicContact CD1-CB 3.88Å; I87-L153 HydrophobicContact CD1-CD1 4.11Å; F95-L153 HydrophobicContact CE1-CD2 3.81Å; F95-L153 HydrophobicContact CZ-CD1 4.39Å; F95-L153 HydrophobicContact CZ-CD2 4.15Å; L137-L153 HydrophobicContact CD1-CD2 3.62Å; L137-L153 HydrophobicContact CD1-CG 4.14Å; I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.22Å; I149-L153 WeakPolarHBondContact O-CB 3.3Å; I149-L153 VanDerWaalsContact O-CG 3.25Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.11Å; L150-L153 PolarHBondContact O-N 3.1Å; H151-L153 PolarHBondContact O-N 2.81Å; L153-H155 VanDerWaalsContact C-N 3.33Å; L153-H155 PolarHBondContact O-N 3.28Å; L153-A156 CarbonylContact O-C 3.19Å; L153-A156 WeakPolarHBondContact O-CA 3.48Å; L153-A156 WeakPolarHBondContact O-CB 3.02Å; L153-A156 PolarHBondContact O-N 3.39Å; L153-A156 VanDerWaalsContact O-N 3.08Å; L153-L157 VanDerWaalsContact O-CG 3.25Å; L153-L157 WeakPolarHBondContact O-CG 3.18Å; L153-L157 PolarHBondContact O-N 3.46Å |
| 154 | L | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.2 | -100.3 | 76.7 | 0 | 0 | 0 | 111.5 | I87 L150 H151 A156 L157 G158 V159 I207 L242 D246 L250 | I87-L154 HydrophobicContact CD1-CD1 4.14Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CD1 3.24Å; L150-L154 PolarHBondContact O-N 3.02Å; H151-L154 WeakPolarHBondContact O-CB 3.44Å; H151-L154 PolarHBondContact O-N 3.09Å; L154-A156 PolarHBondContact O-N 3.08Å; L154-L157 CarbonylContact O-C 2.96Å; L154-L157 WeakPolarHBondContact O-CA 3.41Å; L154-L157 WeakPolarHBondContact O-CB 3.33Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-L157 VanDerWaalsContact O-N 3.1Å; L154-G158 PolarHBondContact O-N 3.48Å; L154-G158 VanDerWaalsContact O-N 3.12Å; L154-V159 HydrophobicContact CB-CB 4Å; L154-V159 HydrophobicContact CB-CG1 4.49Å; L154-V159 HydrophobicContact CB-CG2 4.32Å; L154-V159 HydrophobicContact CD2-CB 4.29Å; L154-V159 HydrophobicContact CD2-CG1 4.1Å; L154-V159 HydrophobicContact CD2-CG2 4.25Å; L154-V159 HydrophobicContact CG-CB 4.35Å; L154-V159 HydrophobicContact CG-CG2 4.21Å; L154-V159 WeakPolarHBondContact O-CB 3.43Å; L154-V159 PolarHBondContact O-N 2.88Å; L154-I207 HydrophobicContact CD1-CG2 3.99Å; L154-I207 HydrophobicContact CD2-CG2 3.34Å; L154-I207 HydrophobicContact CG-CG2 4.16Å; L154-L242 HydrophobicContact CD1-CD1 3.79Å; L154-L242 HydrophobicContact CD2-CD1 4.26Å; L154-D246 HydrophobicContact CD2-CB 4.4Å; L154-L250 HydrophobicContact CD1-CD1 4.26Å; L154-L250 HydrophobicContact CG-CD1 4.29Å |
| 155 | H | 96 | Very high | 95.3 | Very high | 11 Ų | 11 | 7.9 Ų | 7.9 | 5% | 0.051 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -56.2 | -49.1 | 169.1 | -72.5 | -37.6 | 0 | 0 | 0 | 112 | S126 L127 G128 H151 E152 L153 L157 G158 V159 H161 | S126-H155 CarbonylContact O-C 3.54Å; S126-H155 VanDerWaalsContact O-C 3.28Å; S126-H155 VanDerWaalsContact O-O 3.08Å; L127-H155 CarbonylContact C-O 3.59Å; L127-H155 VanDerWaalsContact CA-O 3.29Å; L127-H155 WeakPolarHBondContact CA-O 3.19Å; L127-H155 HydrophobicContact CD2-CB 4.03Å; L127-H155 WeakPolarHBondContact CD2-ND1 3.48Å; G128-H155 PolarHBondContact N-O 2.76Å; H151-H155 AromaticContact CD2-CD2 3.73Å; H151-H155 AromaticContact CD2-NE2 3.46Å; H151-H155 PolarHBondContact CD2-NE2 2.85Å; H151-H155 AromaticContact CE1-NE2 3.98Å; H151-H155 AromaticContact NE2-CD2 3.92Å; H151-H155 AromaticContact NE2-NE2 3.16Å; H151-H155 PolarHBondContact NE2-NE2 3.47Å; H151-H155 VanDerWaalsContact NE2-NE2 3.16Å; H151-H155 PolarHBondContact O-N 3.4Å; H151-H155 VanDerWaalsContact O-N 3.12Å; E152-H155 IonicContact OE2-CD2 3.28Å; L153-H155 VanDerWaalsContact C-N 3.33Å; L153-H155 PolarHBondContact O-N 3.28Å; H155-L157 PolarHBondContact O-N 3.14Å; H155-L157 VanDerWaalsContact O-N 3.14Å; H155-G158 WeakPolarHBondContact O-CA 3.28Å; H155-G158 PolarHBondContact O-N 2.88Å; H155-V159 WeakPolarHBondContact CA-O 3.41Å; H155-V159 PolarHBondContact ND1-O 3.09Å; H155-H161 AromaticContact CE1-CD2 3.48Å; H155-H161 PolarHBondContact CE1-CD2 2.9Å; H155-H161 VanDerWaalsContact CE1-CD2 3.48Å; H155-H161 AromaticContact CE1-CE1 3.83Å; H155-H161 AromaticContact CE1-NE2 3.33Å; H155-H161 PolarHBondContact CE1-NE2 3.12Å; H155-H161 VanDerWaalsContact CE1-NE2 3.33Å; H155-H161 AromaticContact NE2-CD2 3.6Å; H155-H161 AromaticContact NE2-CE1 3.81Å; H155-H161 AromaticContact NE2-NE2 3.08Å; H155-H161 PolarHBondContact NE2-NE2 2.92Å |
| 156 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.2 | -28.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W48 I113 S125 S126 G128 E152 L153 L154 G158 | W48-A156 PolarHBondContact NE1-O 3.33Å; I113-A156 HydrophobicContact CD1-CB 3.55Å; S125-A156 WeakPolarHBondContact OG-CB 3.21Å; S125-A156 PolarHBondContact OG-N 2.98Å; S126-A156 VanDerWaalsContact O-CA 3.3Å; S126-A156 WeakPolarHBondContact O-CA 3.46Å; S126-A156 PolarHBondContact O-N 2.95Å; G128-A156 CarbonylContact C-O 3.58Å; G128-A156 WeakPolarHBondContact CA-O 3.35Å; E152-A156 PolarHBondContact O-N 2.9Å; E152-A156 VanDerWaalsContact O-N 3.07Å; L153-A156 CarbonylContact O-C 3.19Å; L153-A156 WeakPolarHBondContact O-CA 3.48Å; L153-A156 WeakPolarHBondContact O-CB 3.02Å; L153-A156 PolarHBondContact O-N 3.39Å; L153-A156 VanDerWaalsContact O-N 3.08Å; L154-A156 PolarHBondContact O-N 3.08Å; A156-G158 VanDerWaalsContact C-N 3.32Å |
| 157 | L | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3.6 | 175.5 | -64.9 | 170.4 | 0 | 0 | 0 | 113.7 | V53 I87 I93 L153 L154 H155 L250 Y254 | V53-L157 HydrophobicContact CG2-CD2 3.78Å; I87-L157 HydrophobicContact CD1-CD1 4.05Å; I87-L157 HydrophobicContact CG2-CD1 4.11Å; I93-L157 HydrophobicContact CD1-CD1 3.84Å; I93-L157 HydrophobicContact CD1-CD2 4Å; I93-L157 HydrophobicContact CD1-CG 4.43Å; I93-L157 HydrophobicContact CG2-CD2 3.81Å; L153-L157 VanDerWaalsContact O-CG 3.25Å; L153-L157 WeakPolarHBondContact O-CG 3.18Å; L153-L157 PolarHBondContact O-N 3.46Å; L154-L157 CarbonylContact O-C 2.96Å; L154-L157 WeakPolarHBondContact O-CA 3.41Å; L154-L157 WeakPolarHBondContact O-CB 3.33Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-L157 VanDerWaalsContact O-N 3.1Å; H155-L157 PolarHBondContact O-N 3.14Å; H155-L157 VanDerWaalsContact O-N 3.14Å; L157-L250 HydrophobicContact CB-CD2 4.06Å; L157-L250 HydrophobicContact CD1-CD1 4.43Å; L157-L250 HydrophobicContact CD1-CD2 4.1Å; L157-Y254 HydrophobicContact CB-CE2 4.21Å; L157-Y254 HydrophobicContact CD2-CE2 4.35Å; L157-Y254 WeakPolarHBondContact CD2-OH 3.43Å; L157-Y254 PolarHBondContact O-OH 3.48Å |
| 158 | G | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | 8.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | S41 L154 H155 A156 | S41-G158 WeakPolarHBondContact CA-O 3.01Å; S41-G158 WeakPolarHBondContact CB-O 3.35Å; S41-G158 PolarHBondContact OG-O 2.85Å; L154-G158 PolarHBondContact O-N 3.48Å; L154-G158 VanDerWaalsContact O-N 3.12Å; H155-G158 WeakPolarHBondContact O-CA 3.28Å; H155-G158 PolarHBondContact O-N 2.88Å; A156-G158 VanDerWaalsContact C-N 3.32Å |
| 159 | V | 93.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | P | Polyproline II helix | trans | -82.3 | 135.6 | 177.9 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | L40 L127 L154 H155 L250 | L40-V159 HydrophobicContact CD1-CB 4.35Å; L40-V159 HydrophobicContact CD1-CG1 3.59Å; L40-V159 HydrophobicContact CD1-CG2 4Å; L40-V159 HydrophobicContact CD2-CG2 4.22Å; L40-V159 HydrophobicContact CG-CG1 4.24Å; L40-V159 HydrophobicContact CG-CG2 4Å; L40-V159 WeakPolarHBondContact O-CA 3.38Å; L127-V159 VanDerWaalsContact CD2-O 3.32Å; L127-V159 WeakPolarHBondContact CD2-O 3.42Å; L154-V159 HydrophobicContact CB-CB 4Å; L154-V159 HydrophobicContact CB-CG1 4.49Å; L154-V159 HydrophobicContact CB-CG2 4.32Å; L154-V159 HydrophobicContact CD2-CB 4.29Å; L154-V159 HydrophobicContact CD2-CG1 4.1Å; L154-V159 HydrophobicContact CD2-CG2 4.25Å; L154-V159 HydrophobicContact CG-CB 4.35Å; L154-V159 HydrophobicContact CG-CG2 4.21Å; L154-V159 WeakPolarHBondContact O-CB 3.43Å; L154-V159 PolarHBondContact O-N 2.88Å; H155-V159 WeakPolarHBondContact CA-O 3.41Å; H155-V159 PolarHBondContact ND1-O 3.09Å; V159-L250 HydrophobicContact CG2-CD2 3.7Å; V159-L250 HydrophobicContact CG2-CG 4.5Å |
| 160 | M | 92.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 17.3 Ų | 17.3 | 4% | 0.044 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | trans | -94.6 | 170.5 | 176.9 | -54.7 | 174.5 | -47.8 | 0 | 0 | 110 | S39 L40 S41 M42 L127 E162 I190 S208 | S39-M160 WeakPolarHBondContact OG-CE 3.5Å; L40-M160 PolarHBondContact O-N 2.89Å; S41-M160 VanDerWaalsContact C-CE 3.41Å; S41-M160 VanDerWaalsContact C-SD 3.51Å; S41-M160 WeakPolarHBondContact O-CE 3.45Å; M42-M160 HydrophobicContact CB-SD 4.19Å; M42-M160 HydrophobicContact CG-CG 4.39Å; M42-M160 HydrophobicContact CG-SD 3.21Å; M42-M160 WeakPolarHBondContact CG-SD 3.38Å; M42-M160 PolarHBondContact N-SD 3.14Å; M42-M160 HydrophobicContact SD-SD 4.49Å; L127-M160 HydrophobicContact CD1-CG 4.39Å; M160-E162 PolarHBondContact O-N 3.1Å; M160-I190 HydrophobicContact CB-CD1 4.32Å; M160-I190 HydrophobicContact CE-CD1 3.51Å; M160-I190 HydrophobicContact CG-CD1 4.2Å; M160-I190 HydrophobicContact SD-CD1 3.12Å; M160-I190 WeakPolarHBondContact SD-CD1 3.34Å; M160-S208 WeakPolarHBondContact O-CB 3.21Å; M160-S208 PolarHBondContact O-OG 2.84Å |
| 161 | H | 93.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 135.8 | 172.5 | -58 | 118.5 | 0 | 0 | 0 | 111.4 | H151 H155 I163 M164 E186 S208 Y210 | H151-H161 AromaticContact CE1-CD2 3.6Å; H151-H161 AromaticContact CE1-NE2 3.85Å; H151-H161 AromaticContact NE2-CD2 3.63Å; H151-H161 AromaticContact NE2-NE2 3.39Å; H151-H161 PolarHBondContact NE2-NE2 3.25Å; H155-H161 AromaticContact CE1-CD2 3.48Å; H155-H161 PolarHBondContact CE1-CD2 2.9Å; H155-H161 VanDerWaalsContact CE1-CD2 3.48Å; H155-H161 AromaticContact CE1-CE1 3.83Å; H155-H161 AromaticContact CE1-NE2 3.33Å; H155-H161 PolarHBondContact CE1-NE2 3.12Å; H155-H161 VanDerWaalsContact CE1-NE2 3.33Å; H155-H161 AromaticContact NE2-CD2 3.6Å; H155-H161 AromaticContact NE2-CE1 3.81Å; H155-H161 AromaticContact NE2-NE2 3.08Å; H155-H161 PolarHBondContact NE2-NE2 2.92Å; H161-I163 HydrophobicContact CB-CG2 4.04Å; H161-I163 PolarHBondContact O-N 3.48Å; H161-M164 HydrophobicContact CB-CG 4.02Å; H161-M164 HydrophobicContact CB-SD 4.17Å; H161-M164 WeakPolarHBondContact O-CB 3.29Å; H161-M164 PolarHBondContact O-N 3.01Å; H161-E186 IonicContact CE1-OE2 2.73Å; H161-E186 IonicContact ND1-OE2 3.47Å; H161-S208 WeakPolarHBondContact CA-O 3.24Å; H161-Y210 AromaticContact CD2-CE1 3.38Å; H161-Y210 WeakPolarHBondContact CD2-CE1 3.47Å; H161-Y210 AromaticContact CD2-CZ 3.6Å; H161-Y210 AromaticContact CE1-CE1 3.92Å; H161-Y210 AromaticContact CE1-CZ 3.43Å; H161-Y210 VanDerWaalsContact CE1-CZ 3.43Å; H161-Y210 PolarHBondContact CE1-OH 3.44Å; H161-Y210 AromaticContact CG-CZ 3.99Å; H161-Y210 AromaticContact ND1-CZ 3.88Å; H161-Y210 AromaticContact NE2-CE1 3.21Å; H161-Y210 WeakPolarHBondContact NE2-CE1 3.44Å; H161-Y210 AromaticContact NE2-CZ 3.22Å; H161-Y210 PolarHBondContact NE2-OH 2.96Å |
| 162 | E | 94.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -59.6 | -31.8 | 177.2 | -166.2 | 70.6 | -169.4 | 0 | 0 | 111.2 | M160 M164 R165 F202 D203 S208 L209 | M160-E162 PolarHBondContact O-N 3.1Å; E162-M164 PolarHBondContact O-N 3.15Å; E162-R165 WeakPolarHBondContact O-CB 3.35Å; E162-R165 WeakPolarHBondContact O-CD 3.49Å; E162-R165 WeakPolarHBondContact O-CG 3.47Å; E162-R165 PolarHBondContact O-N 3.03Å; E162-R165 WeakPolarHBondContact OE1-CD 3.18Å; E162-R165 IonicContact OE1-CZ 3.95Å; E162-R165 IonicContact OE1-NE 3.11Å; E162-R165 IonicContact OE1-NH1 3.42Å; E162-R165 PolarHBondContact OE1-NH1 3.3Å; E162-F202 HydrophobicContact CG-CD2 4.16Å; E162-F202 HydrophobicContact CG-CE1 4.46Å; E162-F202 HydrophobicContact CG-CE2 3.86Å; E162-F202 HydrophobicContact CG-CZ 4.02Å; E162-F202 WeakPolarHBondContact O-CE2 3.5Å; E162-F202 WeakPolarHBondContact OE1-CA 3.5Å; E162-D203 PolarHBondContact OE1-N 3.27Å; E162-D203 VanDerWaalsContact OE1-N 3.09Å; E162-S208 PolarHBondContact N-O 2.79Å; E162-S208 PolarHBondContact N-OG 3.04Å; E162-L209 HydrophobicContact CB-CB 3.84Å; E162-L209 HydrophobicContact CB-CD1 4.02Å; E162-L209 HydrophobicContact CG-CB 4.42Å; E162-L209 HydrophobicContact CG-CD1 4.44Å |
| 163 | I | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -68.6 | -11.6 | 176.4 | -155.4 | 64.7 | 0 | 0 | 0 | 113.6 | H161 R168 V172 F187 L209 Y210 W223 | H161-I163 HydrophobicContact CB-CG2 4.04Å; H161-I163 PolarHBondContact O-N 3.48Å; I163-R168 WeakPolarHBondContact O-CD 3.46Å; I163-R168 PolarHBondContact O-NH1 3.12Å; I163-V172 HydrophobicContact CD1-CG2 3.85Å; I163-F187 HydrophobicContact CG1-CD1 4.06Å; I163-F187 HydrophobicContact CG1-CE1 4.5Å; I163-F187 HydrophobicContact CG2-CD1 4.19Å; I163-L209 HydrophobicContact CB-CD1 4.03Å; I163-L209 HydrophobicContact CD1-CD1 4.09Å; I163-Y210 HydrophobicContact CG2-CD2 4.11Å; I163-W223 HydrophobicContact CD1-CB 4.42Å; I163-W223 HydrophobicContact CD1-CD2 4.23Å; I163-W223 HydrophobicContact CD1-CG 3.96Å |
| 164 | M | 92.9 | Very high | 94 | Very high | 33 Ų | 33 | 23.7 Ų | 23.7 | 16% | 0.163 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -93.5 | 2.3 | 177.9 | -65.4 | 179.7 | 83.7 | 0 | 0 | 112.8 | H161 E162 E186 K188 K189 I190 | H161-M164 HydrophobicContact CB-CG 4.02Å; H161-M164 HydrophobicContact CB-SD 4.17Å; H161-M164 WeakPolarHBondContact O-CB 3.29Å; H161-M164 PolarHBondContact O-N 3.01Å; E162-M164 PolarHBondContact O-N 3.15Å; M164-E186 WeakPolarHBondContact CG-O 3.49Å; M164-K188 WeakPolarHBondContact CE-O 3.46Å; M164-K189 WeakPolarHBondContact O-CA 3.38Å; M164-I190 HydrophobicContact CB-CD1 4.08Å; M164-I190 HydrophobicContact CB-CG1 4.18Å; M164-I190 HydrophobicContact CE-CD1 4.05Å; M164-I190 HydrophobicContact CE-CG1 4.03Å; M164-I190 PolarHBondContact O-N 3.28Å; M164-I190 HydrophobicContact SD-CD1 4.42Å |
| 165 | R | 91.3 | Very high | 94 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 1% | 0.011 | 12% | 0.123 | C | C | . | . | trans | -60.4 | 144.6 | -177.6 | -74.7 | 172.5 | 56.2 | 129.3 | 0.4 | 112.6 | R38 E162 D167 R168 R200 K201 | R38-R165 VanDerWaalsContact CB-NH2 3.28Å; R38-R165 VanDerWaalsContact CG-NH2 3.34Å; E162-R165 WeakPolarHBondContact O-CB 3.35Å; E162-R165 WeakPolarHBondContact O-CD 3.49Å; E162-R165 WeakPolarHBondContact O-CG 3.47Å; E162-R165 PolarHBondContact O-N 3.03Å; E162-R165 WeakPolarHBondContact OE1-CD 3.18Å; E162-R165 IonicContact OE1-CZ 3.95Å; E162-R165 IonicContact OE1-NE 3.11Å; E162-R165 IonicContact OE1-NH1 3.42Å; E162-R165 PolarHBondContact OE1-NH1 3.3Å; R165-D167 WeakPolarHBondContact CB-OD1 3.3Å; R165-D167 IonicContact CZ-OD1 2.89Å; R165-D167 IonicContact CZ-OD2 3.26Å; R165-D167 IonicContact NE-OD1 2.76Å; R165-D167 PolarHBondContact NE-OD1 3.34Å; R165-D167 IonicContact NE-OD2 3.2Å; R165-D167 IonicContact NH2-OD1 2.87Å; R165-D167 PolarHBondContact NH2-OD1 2.86Å; R165-D167 VanDerWaalsContact NH2-OD1 3.11Å; R165-D167 IonicContact NH2-OD2 2.88Å; R165-D167 PolarHBondContact NH2-OD2 2.75Å; R165-D167 PolarHBondContact O-N 3.47Å; R165-R168 HydrophobicContact CB-CB 4.4Å; R165-R168 PolarHBondContact O-N 2.73Å; R165-R200 PolarHBondContact NH1-O 3.04Å; R165-R200 PolarHBondContact NH2-O 3.22Å; R165-K201 PolarHBondContact NH1-O 3.3Å | ||
| 166 | P | 90.2 | Very high | 94 | Very high | 33 Ų | 33 | 30.1 Ų | 30.1 | 21% | 0.214 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -31.4 | 176.8 | -18 | 25.1 | 0 | 0 | 0 | 113.6 | I190 E192 | P166-I190 VanDerWaalsContact CG-O 3.31Å; P166-I190 WeakPolarHBondContact CG-O 3.47Å; P166-E192 HydrophobicContact CB-CB 4.29Å; P166-E192 HydrophobicContact CG-CB 4.35Å |
| 167 | D | 90.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 4.8 | -175.7 | 66.6 | -27.4 | 0 | 0 | 0 | 114.1 | R165 D169 Q170 Y171 | R165-D167 WeakPolarHBondContact CB-OD1 3.3Å; R165-D167 IonicContact CZ-OD1 2.89Å; R165-D167 IonicContact CZ-OD2 3.26Å; R165-D167 IonicContact NE-OD1 2.76Å; R165-D167 PolarHBondContact NE-OD1 3.34Å; R165-D167 IonicContact NE-OD2 3.2Å; R165-D167 IonicContact NH2-OD1 2.87Å; R165-D167 PolarHBondContact NH2-OD1 2.86Å; R165-D167 VanDerWaalsContact NH2-OD1 3.11Å; R165-D167 IonicContact NH2-OD2 2.88Å; R165-D167 PolarHBondContact NH2-OD2 2.75Å; R165-D167 PolarHBondContact O-N 3.47Å; D167-D169 PolarHBondContact O-N 2.92Å; D167-D169 VanDerWaalsContact O-N 3.11Å; D167-Q170 WeakPolarHBondContact O-CB 3.44Å; D167-Q170 WeakPolarHBondContact O-CG 3.43Å; D167-Q170 PolarHBondContact O-N 3.07Å; D167-Q170 VanDerWaalsContact O-N 3.09Å; D167-Y171 HydrophobicContact CB-CE2 4.4Å; D167-Y171 WeakPolarHBondContact O-CD2 3.49Å; D167-Y171 WeakPolarHBondContact O-CE2 3.49Å |
| 168 | R | 92.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -55.7 | -35.4 | -172.7 | 83.5 | -172.9 | 177.4 | -154.3 | 4.7 | 113.6 | I163 R165 Q170 Y171 V172 F187 K189 F202 | I163-R168 WeakPolarHBondContact O-CD 3.46Å; I163-R168 PolarHBondContact O-NH1 3.12Å; R165-R168 HydrophobicContact CB-CB 4.4Å; R165-R168 PolarHBondContact O-N 2.73Å; R168-Q170 PolarHBondContact O-N 2.99Å; R168-Y171 WeakPolarHBondContact O-CA 3.46Å; R168-Y171 PolarHBondContact O-N 3.08Å; R168-V172 HydrophobicContact CB-CG2 4.19Å; R168-V172 HydrophobicContact CG-CG2 4.09Å; R168-V172 WeakPolarHBondContact O-CG2 3.21Å; R168-V172 PolarHBondContact O-N 3.45Å; R168-F187 PolarHBondContact NH1-O 2.83Å; R168-F187 PolarHBondContact NH2-O 3.27Å; R168-K189 HydrophobicContact CG-CD 4.15Å; R168-K189 HydrophobicContact CG-CG 4.35Å; R168-F202 HydrophobicContact CB-CE2 3.99Å |
| 169 | D | 94 | Very high | 93.7 | Very high | 73 Ų | 73 | 36.8 Ų | 36.8 | 39% | 0.39 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -71.5 | -5.2 | -172.6 | -56.4 | -18.7 | 0 | 0 | 0 | 111.3 | D167 Y171 K189 I226 | D167-D169 PolarHBondContact O-N 2.92Å; D167-D169 VanDerWaalsContact O-N 3.11Å; D169-Y171 VanDerWaalsContact C-N 3.32Å; D169-K189 WeakPolarHBondContact OD2-CE 3.44Å; D169-K189 IonicContact OD2-NZ 3.5Å; D169-K189 PolarHBondContact OD2-NZ 3.5Å; D169-I226 WeakPolarHBondContact O-CD1 3.32Å |
| 170 | Q | 93.7 | Very high | 93.6 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 59% | 0.589 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -80.9 | -13.7 | 167.4 | -58.4 | -177 | -36.8 | 0 | 0 | 112.9 | D167 R168 | D167-Q170 WeakPolarHBondContact O-CB 3.44Å; D167-Q170 WeakPolarHBondContact O-CG 3.43Å; D167-Q170 PolarHBondContact O-N 3.07Å; D167-Q170 VanDerWaalsContact O-N 3.09Å; R168-Q170 PolarHBondContact O-N 2.99Å |
| 171 | Y | 93.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 48 Ų | 48 | 18% | 0.18 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -30.3 | -173.6 | -55.1 | -87.8 | 0 | 0 | 0 | 112.9 | D167 R168 D169 F202 P225 I226 | D167-Y171 HydrophobicContact CB-CE2 4.4Å; D167-Y171 WeakPolarHBondContact O-CD2 3.49Å; D167-Y171 WeakPolarHBondContact O-CE2 3.49Å; R168-Y171 WeakPolarHBondContact O-CA 3.46Å; R168-Y171 PolarHBondContact O-N 3.08Å; D169-Y171 VanDerWaalsContact C-N 3.32Å; Y171-F202 HydrophobicContact CD1-CB 3.63Å; Y171-F202 HydrophobicContact CD1-CD1 4.4Å; Y171-F202 HydrophobicContact CD1-CG 4.15Å; Y171-F202 HydrophobicContact CD2-CB 3.58Å; Y171-F202 AromaticContact CD2-CD2 3.9Å; Y171-F202 HydrophobicContact CD2-CD2 3.9Å; Y171-F202 AromaticContact CD2-CG 3.75Å; Y171-F202 HydrophobicContact CD2-CG 3.75Å; Y171-F202 HydrophobicContact CE1-CB 3.68Å; Y171-F202 HydrophobicContact CE2-CB 3.65Å; Y171-F202 HydrophobicContact CE2-CD2 4.48Å; Y171-F202 HydrophobicContact CE2-CG 4.29Å; Y171-F202 HydrophobicContact CG-CB 3.58Å; Y171-F202 HydrophobicContact CG-CD1 4.02Å; Y171-F202 HydrophobicContact CG-CD2 4.22Å; Y171-F202 AromaticContact CG-CG 3.67Å; Y171-F202 HydrophobicContact CG-CG 3.67Å; Y171-P225 WeakPolarHBondContact O-CA 3.35Å; Y171-I226 PolarHBondContact O-N 2.74Å |
| 172 | V | 95 | Very high | 93.4 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149 | -177 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | I163 R168 F202 F204 W223 E224 | I163-V172 HydrophobicContact CD1-CG2 3.85Å; R168-V172 HydrophobicContact CB-CG2 4.19Å; R168-V172 HydrophobicContact CG-CG2 4.09Å; R168-V172 WeakPolarHBondContact O-CG2 3.21Å; R168-V172 PolarHBondContact O-N 3.45Å; V172-F202 HydrophobicContact CG1-CE1 4.16Å; V172-F202 HydrophobicContact CG1-CZ 4.07Å; V172-F204 HydrophobicContact CG1-CE1 3.82Å; V172-F204 HydrophobicContact CG1-CZ 4.29Å; V172-W223 HydrophobicContact CB-CE3 4.15Å; V172-W223 HydrophobicContact CG1-CD2 4.44Å; V172-W223 HydrophobicContact CG1-CE3 3.64Å; V172-W223 HydrophobicContact CG1-CZ3 3.95Å; V172-E224 CarbonylContact C-O 3.01Å; V172-E224 WeakPolarHBondContact CA-O 3.46Å; V172-E224 WeakPolarHBondContact CB-O 3.35Å |
| 173 | I | 96.3 | Very high | 93.2 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.2 | 164.9 | -54.8 | 177.2 | 0 | 0 | 0 | 106.6 | W223 E224 I226 | I173-W223 CarbonylContact O-C 3.49Å; I173-W223 WeakPolarHBondContact O-CA 3.32Å; I173-W223 WeakPolarHBondContact O-CB 3.19Å; I173-E224 HydrophobicContact CB-CG 3.95Å; I173-E224 HydrophobicContact CD1-CG 4.37Å; I173-E224 HydrophobicContact CG1-CG 4.45Å; I173-E224 PolarHBondContact N-O 2.93Å; I173-E224 PolarHBondContact O-N 3.45Å; I173-I226 HydrophobicContact CD1-CG1 4.32Å; I173-I226 HydrophobicContact CG1-CD1 4.39Å; I173-I226 HydrophobicContact CG1-CG1 3.65Å |
| 174 | L | 96.4 | Very high | 93.1 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.3 | 176.4 | -173.1 | 74.4 | 0 | 0 | 0 | 109.4 | E176 I179 F187 V222 W223 | L174-E176 HydrophobicContact CD2-CG 3.8Å; L174-E176 HydrophobicContact CG-CG 4.18Å; L174-I179 HydrophobicContact CD1-CD1 4.12Å; L174-I179 HydrophobicContact CD2-CD1 4.37Å; L174-I179 HydrophobicContact CG-CD1 4.29Å; L174-F187 HydrophobicContact CD1-CB 4.37Å; L174-F187 HydrophobicContact CD1-CD1 3.88Å; L174-F187 HydrophobicContact CD1-CG 4.36Å; L174-F187 HydrophobicContact CD2-CB 4.21Å; L174-V222 HydrophobicContact CD1-CG1 3.9Å; L174-V222 WeakPolarHBondContact CD1-O 3.3Å; L174-W223 HydrophobicContact CD1-CB 4.17Å |
| 175 | H | 96.2 | Very high | 93 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 13% | 0.125 | 30% | 0.302 | C | S | . | . | trans | -99.1 | 81.2 | 175.6 | -60.9 | -71.8 | 0 | 0 | 0 | 109.3 | E177 N178 P221 V222 E224 | H175-E177 VanDerWaalsContact C-OE2 3.27Å; H175-E177 WeakPolarHBondContact CA-OE2 3.29Å; H175-E177 IonicContact CG-OE1 4Å; H175-E177 IonicContact ND1-OE1 2.7Å; H175-E177 PolarHBondContact ND1-OE1 3.22Å; H175-E177 PolarHBondContact O-N 3.07Å; H175-E177 VanDerWaalsContact O-N 3.16Å; H175-N178 HydrophobicContact CB-CB 4.2Å; H175-N178 WeakPolarHBondContact CB-ND2 3.48Å; H175-N178 PolarHBondContact O-N 2.92Å; H175-P221 PolarHBondContact CD2-O 2.95Å; H175-V222 PolarHBondContact N-O 2.89Å; H175-E224 IonicContact NE2-OE1 2.79Å | ||
| 176 | E | 95.1 | Very high | 93 | Very high | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -58.3 | -28.4 | -178.3 | -67.6 | -169.9 | -174.5 | 0 | 0 | 112.6 | L174 N178 I179 | L174-E176 HydrophobicContact CD2-CG 3.8Å; L174-E176 HydrophobicContact CG-CG 4.18Å; E176-N178 PolarHBondContact O-N 2.77Å; E176-I179 HydrophobicContact CB-CD1 4.47Å; E176-I179 HydrophobicContact CG-CD1 4.37Å; E176-I179 WeakPolarHBondContact O-CB 3.34Å; E176-I179 PolarHBondContact O-N 3.11Å |
| 177 | E | 95 | Very high | 93.2 | Very high | 129 Ų | 129 | 63.6 Ų | 63.6 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -63.1 | -24.6 | 175.2 | 66.9 | -82.6 | -168.1 | 0 | 0 | 114.2 | H175 | H175-E177 VanDerWaalsContact C-OE2 3.27Å; H175-E177 WeakPolarHBondContact CA-OE2 3.29Å; H175-E177 IonicContact CG-OE1 4Å; H175-E177 IonicContact ND1-OE1 2.7Å; H175-E177 PolarHBondContact ND1-OE1 3.22Å; H175-E177 PolarHBondContact O-N 3.07Å; H175-E177 VanDerWaalsContact O-N 3.16Å |
| 178 | N | 93.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -89.8 | -16 | 179.4 | -65.8 | -25.9 | 0 | 0 | 0 | 112.1 | H175 E176 T216 S217 N218 N220 P221 V222 | H175-N178 HydrophobicContact CB-CB 4.2Å; H175-N178 WeakPolarHBondContact CB-ND2 3.48Å; H175-N178 PolarHBondContact O-N 2.92Å; E176-N178 PolarHBondContact O-N 2.77Å; N178-T216 WeakPolarHBondContact O-CA 3.45Å; N178-S217 PolarHBondContact O-N 3.08Å; N178-S217 PolarHBondContact O-OG 3.48Å; N178-S217 VanDerWaalsContact O-OG 3.09Å; N178-N218 PolarHBondContact OD1-ND2 3.04Å; N178-N220 HydrophobicContact CB-CB 4.46Å; N178-N220 WeakPolarHBondContact ND2-CB 3.29Å; N178-P221 PolarHBondContact ND2-O 3.38Å; N178-V222 HydrophobicContact CB-CG2 4.4Å |
| 179 | I | 93.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 129.6 | -177.4 | -57 | 174.6 | 0 | 0 | 0 | 109.9 | L174 E176 K181 L184 F187 V222 | L174-I179 HydrophobicContact CD1-CD1 4.12Å; L174-I179 HydrophobicContact CD2-CD1 4.37Å; L174-I179 HydrophobicContact CG-CD1 4.29Å; E176-I179 HydrophobicContact CB-CD1 4.47Å; E176-I179 HydrophobicContact CG-CD1 4.37Å; E176-I179 WeakPolarHBondContact O-CB 3.34Å; E176-I179 PolarHBondContact O-N 3.11Å; I179-K181 PolarHBondContact O-N 2.04Å; I179-K181 VanDerWaalsContact O-N 3.17Å; I179-L184 HydrophobicContact CB-CD2 3.93Å; I179-L184 HydrophobicContact CD1-CD2 4.09Å; I179-L184 HydrophobicContact CG2-CD2 3.88Å; I179-L184 HydrophobicContact CG2-CG 4.21Å; I179-F187 HydrophobicContact CD1-CB 4.07Å; I179-F187 HydrophobicContact CD1-CD1 4.44Å; I179-F187 HydrophobicContact CD1-CD2 3.74Å; I179-F187 HydrophobicContact CD1-CE2 4.25Å; I179-F187 HydrophobicContact CD1-CG 3.83Å; I179-F187 HydrophobicContact CG1-CD2 4.32Å; I179-F187 HydrophobicContact CG1-CE2 4.36Å; I179-F187 HydrophobicContact CG2-CD2 3.89Å; I179-F187 HydrophobicContact CG2-CE2 3.85Å; I179-V222 HydrophobicContact CD1-CG1 3.77Å; I179-V222 HydrophobicContact CG1-CB 4.22Å; I179-V222 HydrophobicContact CG1-CG1 3.41Å; I179-V222 VanDerWaalsContact CG1-CG1 3.41Å; I179-V222 HydrophobicContact CG1-CG2 3.92Å |
| 180 | D | 90.3 | Very high | 93 | Very high | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 33% | 0.328 | S | S | . | . | trans | -58.7 | 121.9 | 164.9 | -178.6 | -27.1 | 0 | 0 | 0 | 109.1 | S182 Y183 F215 | D180-S182 PolarHBondContact O-N 3.39Å; D180-S182 PolarHBondContact OD1-N 3.13Å; D180-S182 PolarHBondContact OD1-OG 3.13Å; D180-S182 VanDerWaalsContact OD1-OG 3.1Å; D180-Y183 HydrophobicContact CB-CD2 3.97Å; D180-Y183 PolarHBondContact O-N 2.62Å; D180-F215 WeakPolarHBondContact CB-O 3.38Å; D180-F215 PolarHBondContact N-O 2.79Å | ||
| 181 | K | 92.1 | Very high | 92.7 | Very high | 181 Ų | 181 | 69.3 Ų | 69.3 | 79% | 0.787 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -52.3 | -27.4 | -173.5 | -65.5 | -179 | -179 | 176.8 | 0 | 113.3 | I179 Y183 L184 | I179-K181 PolarHBondContact O-N 2.04Å; I179-K181 VanDerWaalsContact O-N 3.17Å; K181-Y183 PolarHBondContact O-N 2.83Å; K181-L184 HydrophobicContact CB-CD1 4.4Å |
| 182 | S | 90.4 | Very high | 92.2 | Very high | 86 Ų | 86 | 71.1 Ų | 71.1 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -68.1 | -16.2 | 176.3 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | D180 | D180-S182 PolarHBondContact O-N 3.39Å; D180-S182 PolarHBondContact OD1-N 3.13Å; D180-S182 PolarHBondContact OD1-OG 3.13Å; D180-S182 VanDerWaalsContact OD1-OG 3.1Å |
| 183 | Y | 90.5 | Very high | 91.6 | Very high | 93 Ų | 93 | 77.2 Ų | 77.2 | 37% | 0.365 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -113.5 | 5.5 | -174.9 | -63.5 | -79.1 | 0 | 0 | 0 | 114.4 | D180 K181 E185 E186 F187 F215 | D180-Y183 HydrophobicContact CB-CD2 3.97Å; D180-Y183 PolarHBondContact O-N 2.62Å; K181-Y183 PolarHBondContact O-N 2.83Å; Y183-E185 PolarHBondContact O-N 3.29Å; Y183-E185 VanDerWaalsContact O-N 3.11Å; Y183-E186 HydrophobicContact CD1-CG 4.34Å; Y183-E186 WeakPolarHBondContact O-CB 3.38Å; Y183-E186 PolarHBondContact O-N 3.18Å; Y183-F187 WeakPolarHBondContact O-CD2 3.49Å; Y183-F215 AromaticContact CD1-CD1 3.5Å; Y183-F215 HydrophobicContact CD1-CD1 3.5Å; Y183-F215 AromaticContact CD1-CD2 3.95Å; Y183-F215 HydrophobicContact CD1-CD2 3.95Å; Y183-F215 AromaticContact CD1-CE1 3.48Å; Y183-F215 HydrophobicContact CD1-CE1 3.48Å; Y183-F215 VanDerWaalsContact CD1-CE1 3.48Å; Y183-F215 AromaticContact CD1-CE2 3.91Å; Y183-F215 HydrophobicContact CD1-CE2 3.91Å; Y183-F215 AromaticContact CD1-CG 3.76Å; Y183-F215 HydrophobicContact CD1-CG 3.76Å; Y183-F215 AromaticContact CD1-CZ 3.69Å; Y183-F215 HydrophobicContact CD1-CZ 3.69Å; Y183-F215 HydrophobicContact CD2-CB 3.89Å; Y183-F215 AromaticContact CD2-CD1 3.66Å; Y183-F215 HydrophobicContact CD2-CD1 3.66Å; Y183-F215 HydrophobicContact CD2-CE1 4.39Å; Y183-F215 AromaticContact CD2-CG 3.86Å; Y183-F215 HydrophobicContact CD2-CG 3.86Å; Y183-F215 AromaticContact CE1-CD1 3.61Å; Y183-F215 HydrophobicContact CE1-CD1 3.61Å; Y183-F215 AromaticContact CE1-CE1 3.32Å; Y183-F215 HydrophobicContact CE1-CE1 3.32Å; Y183-F215 HydrophobicContact CE1-CE2 4.5Å; Y183-F215 HydrophobicContact CE1-CG 4.34Å; Y183-F215 AromaticContact CE1-CZ 3.83Å; Y183-F215 HydrophobicContact CE1-CZ 3.83Å; Y183-F215 AromaticContact CE2-CD1 3.75Å; Y183-F215 HydrophobicContact CE2-CD1 3.75Å; Y183-F215 HydrophobicContact CE2-CE1 4.27Å; Y183-F215 HydrophobicContact CE2-CG 4.42Å; Y183-F215 HydrophobicContact CG-CB 3.82Å; Y183-F215 AromaticContact CG-CD1 3.52Å; Y183-F215 HydrophobicContact CG-CD1 3.52Å; Y183-F215 AromaticContact CG-CD2 3.93Å; Y183-F215 HydrophobicContact CG-CD2 3.93Å; Y183-F215 HydrophobicContact CG-CE1 4.02Å; Y183-F215 HydrophobicContact CG-CE2 4.36Å; Y183-F215 AromaticContact CG-CG 3.48Å; Y183-F215 HydrophobicContact CG-CG 3.48Å; Y183-F215 VanDerWaalsContact CG-CG 3.48Å; Y183-F215 HydrophobicContact CG-CZ 4.41Å; Y183-F215 AromaticContact CZ-CD1 3.72Å; Y183-F215 AromaticContact CZ-CE1 3.74Å |
| 184 | L | 92.2 | Very high | 91 | Very high | 59 Ų | 59 | 78 Ų | 78 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -54.5 | -33.5 | 179.6 | -76 | 168 | 0 | 0 | 0 | 113.5 | I179 K181 E186 F187 | I179-L184 HydrophobicContact CB-CD2 3.93Å; I179-L184 HydrophobicContact CD1-CD2 4.09Å; I179-L184 HydrophobicContact CG2-CD2 3.88Å; I179-L184 HydrophobicContact CG2-CG 4.21Å; K181-L184 HydrophobicContact CB-CD1 4.4Å; L184-E186 VanDerWaalsContact C-N 3.27Å; L184-E186 PolarHBondContact O-N 3.06Å; L184-F187 PolarHBondContact O-N 3.33Å |
| 185 | E | 90.7 | Very high | 90.4 | Very high | 100 Ų | 100 | 77 Ų | 77 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -63.7 | -31 | 178.1 | -61.3 | -58.4 | 133.7 | 0 | 0 | 113 | Y183 F187 K188 | Y183-E185 PolarHBondContact O-N 3.29Å; Y183-E185 VanDerWaalsContact O-N 3.11Å; E185-F187 PolarHBondContact O-N 3.47Å; E185-K188 VanDerWaalsContact CD-CE 3.47Å; E185-K188 PolarHBondContact O-N 3.09Å; E185-K188 WeakPolarHBondContact OE1-CE 3.44Å; E185-K188 IonicContact OE1-NZ 3.81Å; E185-K188 PolarHBondContact OE1-NZ 3.4Å; E185-K188 VanDerWaalsContact OE2-CD 3.32Å; E185-K188 WeakPolarHBondContact OE2-CD 3.49Å; E185-K188 VanDerWaalsContact OE2-CE 3.26Å; E185-K188 WeakPolarHBondContact OE2-CE 3.29Å; E185-K188 IonicContact OE2-NZ 2.65Å; E185-K188 PolarHBondContact OE2-NZ 2.84Å |
| 186 | E | 90 | Very high | 89.5 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -67.9 | -19.6 | 179.4 | -60 | -62.1 | 147.3 | 0 | 0 | 112.2 | H161 M164 Y183 L184 Y210 F215 | H161-E186 IonicContact CE1-OE2 2.73Å; H161-E186 IonicContact ND1-OE2 3.47Å; M164-E186 WeakPolarHBondContact CG-O 3.49Å; Y183-E186 HydrophobicContact CD1-CG 4.34Å; Y183-E186 WeakPolarHBondContact O-CB 3.38Å; Y183-E186 PolarHBondContact O-N 3.18Å; L184-E186 VanDerWaalsContact C-N 3.27Å; L184-E186 PolarHBondContact O-N 3.06Å; E186-Y210 HydrophobicContact CB-CE2 4.08Å; E186-Y210 PolarHBondContact OE2-OH 3.3Å; E186-F215 HydrophobicContact CB-CE2 4.36Å; E186-F215 HydrophobicContact CG-CE2 4.22Å |
| 187 | F | 94 | Very high | 88.3 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -105 | 12.8 | 179 | -60.9 | -87.7 | 0 | 0 | 0 | 113.1 | I163 R168 L174 I179 Y183 L184 E185 Y210 F215 V222 | I163-F187 HydrophobicContact CG1-CD1 4.06Å; I163-F187 HydrophobicContact CG1-CE1 4.5Å; I163-F187 HydrophobicContact CG2-CD1 4.19Å; R168-F187 PolarHBondContact NH1-O 2.83Å; R168-F187 PolarHBondContact NH2-O 3.27Å; L174-F187 HydrophobicContact CD1-CB 4.37Å; L174-F187 HydrophobicContact CD1-CD1 3.88Å; L174-F187 HydrophobicContact CD1-CG 4.36Å; L174-F187 HydrophobicContact CD2-CB 4.21Å; I179-F187 HydrophobicContact CD1-CB 4.07Å; I179-F187 HydrophobicContact CD1-CD1 4.44Å; I179-F187 HydrophobicContact CD1-CD2 3.74Å; I179-F187 HydrophobicContact CD1-CE2 4.25Å; I179-F187 HydrophobicContact CD1-CG 3.83Å; I179-F187 HydrophobicContact CG1-CD2 4.32Å; I179-F187 HydrophobicContact CG1-CE2 4.36Å; I179-F187 HydrophobicContact CG2-CD2 3.89Å; I179-F187 HydrophobicContact CG2-CE2 3.85Å; Y183-F187 WeakPolarHBondContact O-CD2 3.49Å; L184-F187 PolarHBondContact O-N 3.33Å; E185-F187 PolarHBondContact O-N 3.47Å; F187-Y210 AromaticContact CE1-CD2 3.97Å; F187-Y210 HydrophobicContact CE1-CD2 3.97Å; F187-Y210 HydrophobicContact CZ-CD2 4.03Å; F187-F215 HydrophobicContact CE2-CB 4.17Å; F187-F215 AromaticContact CE2-CD2 3.72Å; F187-F215 HydrophobicContact CE2-CD2 3.72Å; F187-F215 HydrophobicContact CE2-CG 4.44Å; F187-F215 HydrophobicContact CZ-CB 4.45Å; F187-F215 AromaticContact CZ-CD2 3.9Å; F187-F215 HydrophobicContact CZ-CD2 3.9Å; F187-V222 HydrophobicContact CD1-CG1 3.97Å; F187-V222 HydrophobicContact CE1-CG1 3.46Å; F187-V222 VanDerWaalsContact CE1-CG1 3.46Å; F187-V222 HydrophobicContact CE2-CG1 4.22Å; F187-V222 HydrophobicContact CZ-CG1 3.6Å |
| 188 | K | 93.3 | Very high | 87.2 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 135.1 | 175.3 | -73.1 | -172.4 | -177.6 | 171.9 | 0 | 112.1 | M164 E185 | M164-K188 WeakPolarHBondContact CE-O 3.46Å; E185-K188 VanDerWaalsContact CD-CE 3.47Å; E185-K188 PolarHBondContact O-N 3.09Å; E185-K188 WeakPolarHBondContact OE1-CE 3.44Å; E185-K188 IonicContact OE1-NZ 3.81Å; E185-K188 PolarHBondContact OE1-NZ 3.4Å; E185-K188 VanDerWaalsContact OE2-CD 3.32Å; E185-K188 WeakPolarHBondContact OE2-CD 3.49Å; E185-K188 VanDerWaalsContact OE2-CE 3.26Å; E185-K188 WeakPolarHBondContact OE2-CE 3.29Å; E185-K188 IonicContact OE2-NZ 2.65Å; E185-K188 PolarHBondContact OE2-NZ 2.84Å |
| 189 | K | 92.3 | Very high | 86.2 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 41% | 0.409 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 137.7 | 173.1 | -65.8 | -169.8 | -64.2 | -173.9 | 0 | 110.5 | M164 R168 D169 | M164-K189 WeakPolarHBondContact O-CA 3.38Å; R168-K189 HydrophobicContact CG-CD 4.15Å; R168-K189 HydrophobicContact CG-CG 4.35Å; D169-K189 WeakPolarHBondContact OD2-CE 3.44Å; D169-K189 IonicContact OD2-NZ 3.5Å; D169-K189 PolarHBondContact OD2-NZ 3.5Å |
| 190 | I | 88.2 | Confident | 85.6 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 142.8 | 168.1 | -64.5 | 173.8 | 0 | 0 | 0 | 108.1 | M160 M164 P166 Q194 | M160-I190 HydrophobicContact CB-CD1 4.32Å; M160-I190 HydrophobicContact CE-CD1 3.51Å; M160-I190 HydrophobicContact CG-CD1 4.2Å; M160-I190 HydrophobicContact SD-CD1 3.12Å; M160-I190 WeakPolarHBondContact SD-CD1 3.34Å; M164-I190 HydrophobicContact CB-CD1 4.08Å; M164-I190 HydrophobicContact CB-CG1 4.18Å; M164-I190 HydrophobicContact CE-CD1 4.05Å; M164-I190 HydrophobicContact CE-CG1 4.03Å; M164-I190 PolarHBondContact O-N 3.28Å; M164-I190 HydrophobicContact SD-CD1 4.42Å; P166-I190 VanDerWaalsContact CG-O 3.31Å; P166-I190 WeakPolarHBondContact CG-O 3.47Å; I190-Q194 HydrophobicContact CG2-CB 4.05Å |
| 191 | K | 86.7 | Confident | 85.3 | Confident | 133 Ų | 133 | 77.2 Ų | 77.2 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 139.2 | 179 | -56.8 | -174.8 | -177.3 | -177.5 | 0 | 109.4 | H193 Q194 | K191-H193 VanDerWaalsContact C-N 3.28Å; K191-H193 VanDerWaalsContact CB-CE1 3.48Å; K191-H193 WeakPolarHBondContact CB-CE1 3.49Å; K191-H193 VanDerWaalsContact CD-CE1 3.48Å; K191-H193 WeakPolarHBondContact CD-CE1 3.07Å; K191-H193 PolarHBondContact O-N 3.12Å; K191-H193 VanDerWaalsContact O-N 3.17Å; K191-Q194 HydrophobicContact CB-CG 4.16Å; K191-Q194 WeakPolarHBondContact O-CA 3.4Å; K191-Q194 WeakPolarHBondContact O-CB 3.04Å; K191-Q194 PolarHBondContact O-N 2.79Å |
| 192 | E | 83.5 | Confident | 85.2 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 39% | 0.393 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -52.4 | -43.5 | -175.6 | -168.8 | -178 | 166.6 | 0 | 0 | 113.3 | Y36 P166 Q194 S195 | Y36-E192 WeakPolarHBondContact CD1-OE1 3.48Å; Y36-E192 WeakPolarHBondContact CE1-OE1 3.44Å; Y36-E192 WeakPolarHBondContact CE1-OE2 3.34Å; P166-E192 HydrophobicContact CB-CB 4.29Å; P166-E192 HydrophobicContact CG-CB 4.35Å; E192-Q194 PolarHBondContact O-N 3.16Å; E192-S195 VanDerWaalsContact O-CB 3.27Å; E192-S195 WeakPolarHBondContact O-CB 3.43Å; E192-S195 PolarHBondContact O-N 2.89Å; E192-S195 PolarHBondContact O-OG 3.18Å |
| 193 | H | 83 | Confident | 85.3 | Confident | 132 Ų | 132 | 65.7 Ų | 65.7 | 61% | 0.611 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -66.4 | -17.9 | 178.8 | 66.6 | -94.5 | 0 | 0 | 0 | 114.5 | K191 S195 | K191-H193 VanDerWaalsContact C-N 3.28Å; K191-H193 VanDerWaalsContact CB-CE1 3.48Å; K191-H193 WeakPolarHBondContact CB-CE1 3.49Å; K191-H193 VanDerWaalsContact CD-CE1 3.48Å; K191-H193 WeakPolarHBondContact CD-CE1 3.07Å; K191-H193 PolarHBondContact O-N 3.12Å; K191-H193 VanDerWaalsContact O-N 3.17Å; H193-S195 VanDerWaalsContact C-N 3.32Å |
| 194 | Q | 84 | Confident | 85.3 | Confident | 92 Ų | 92 | 62 Ų | 62 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -89.8 | -3.1 | 176.2 | -58.6 | -179.5 | -49.7 | 0 | 0 | 112 | M42 K43 I190 K191 E192 | M42-Q194 CarbonylContact C-O 3.52Å; M42-Q194 VanDerWaalsContact CA-O 3.3Å; M42-Q194 WeakPolarHBondContact CA-O 3.07Å; K43-Q194 PolarHBondContact N-O 2.83Å; I190-Q194 HydrophobicContact CG2-CB 4.05Å; K191-Q194 HydrophobicContact CB-CG 4.16Å; K191-Q194 WeakPolarHBondContact O-CA 3.4Å; K191-Q194 WeakPolarHBondContact O-CB 3.04Å; K191-Q194 PolarHBondContact O-N 2.79Å; E192-Q194 PolarHBondContact O-N 3.16Å |
| 195 | S | 83.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.2 | -163.8 | 92.1 | 0 | 0 | 0 | 0 | 111 | S39 S41 E192 H193 L197 | S39-S195 VanDerWaalsContact OG-CB 3.24Å; S39-S195 WeakPolarHBondContact OG-CB 3Å; S41-S195 CarbonylContact O-C 3.54Å; S41-S195 WeakPolarHBondContact O-CA 3.32Å; E192-S195 VanDerWaalsContact O-CB 3.27Å; E192-S195 WeakPolarHBondContact O-CB 3.43Å; E192-S195 PolarHBondContact O-N 2.89Å; E192-S195 PolarHBondContact O-OG 3.18Å; H193-S195 VanDerWaalsContact C-N 3.32Å; S195-L197 VanDerWaalsContact OG-CD2 3.23Å; S195-L197 WeakPolarHBondContact OG-CD2 3.26Å |
| 196 | I | 77.6 | Confident | 85.4 | Confident | 44 Ų | 44 | 56 Ų | 56 | 23% | 0.226 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.6 | 175.2 | -66.2 | -178.6 | 0 | 0 | 0 | 108.5 | S39 L40 S41 M42 K43 I45 T198 L253 | S39-I196 CarbonylContact C-O 3.42Å; S39-I196 WeakPolarHBondContact CA-O 3.18Å; L40-I196 PolarHBondContact N-O 2.95Å; S41-I196 PolarHBondContact O-N 3.12Å; M42-I196 VanDerWaalsContact O-CD1 3.23Å; M42-I196 WeakPolarHBondContact O-CD1 3.35Å; K43-I196 HydrophobicContact CB-CG1 4.42Å; I45-I196 HydrophobicContact CG2-CD1 3.98Å; I196-T198 HydrophobicContact CG2-CG2 4.25Å; I196-L253 HydrophobicContact CD1-CD1 3.99Å; I196-L253 HydrophobicContact CG2-CD1 4.4Å |
| 197 | L | 69.4 | Low | 85.6 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.8 | -176.3 | -48 | 179.4 | 0 | 0 | 0 | 110.1 | Q37 R38 S195 | Q37-L197 HydrophobicContact CB-CB 3.44Å; Q37-L197 VanDerWaalsContact CB-CB 3.44Å; Q37-L197 HydrophobicContact CB-CD1 3.59Å; Q37-L197 HydrophobicContact CB-CG 4.01Å; Q37-L197 WeakPolarHBondContact O-CD2 2.93Å; R38-L197 CarbonylContact O-C 3.45Å; R38-L197 WeakPolarHBondContact O-CA 3.25Å; S195-L197 VanDerWaalsContact OG-CD2 3.23Å; S195-L197 WeakPolarHBondContact OG-CD2 3.26Å |
| 198 | T | 70.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | trans | -112.8 | 3 | -176.2 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | R38 L40 I196 R200 R252 | R38-T198 PolarHBondContact O-N 3.17Å; R38-T198 PolarHBondContact O-OG1 2.88Å; L40-T198 HydrophobicContact CB-CG2 3.63Å; L40-T198 HydrophobicContact CD2-CG2 4.1Å; I196-T198 HydrophobicContact CG2-CG2 4.25Å; T198-R200 PolarHBondContact O-N 2.89Å; T198-R200 WeakPolarHBondContact OG1-CD 3.5Å; T198-R200 WeakPolarHBondContact OG1-CG 3.37Å; T198-R252 WeakPolarHBondContact O-CD 3.41Å; T198-R252 PolarHBondContact O-NH1 2.93Å | ||
| 199 | N | 73.7 | Confident | 85.7 | Confident | 106 Ų | 106 | 47.5 Ų | 47.5 | 57% | 0.567 | 22% | 0.224 | S | C | * | . | trans | 53.1 | 50.4 | -177.2 | -165.4 | 28.2 | 0 | 0 | 0 | 113.6 | R252 | N199-R252 PolarHBondContact O-NH1 3.19Š| ||
| 200 | R | 81.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | trans | -117.4 | 136.4 | -178 | -80.3 | -179.6 | 45.5 | 178.5 | -10.8 | 112.5 | R38 R165 T198 E245 D246 V248 G249 | R38-R200 VanDerWaalsContact CB-O 3.31Å; R38-R200 WeakPolarHBondContact CB-O 3.35Å; R38-R200 WeakPolarHBondContact CD-O 3.17Å; R165-R200 PolarHBondContact NH1-O 3.04Å; R165-R200 PolarHBondContact NH2-O 3.22Å; T198-R200 PolarHBondContact O-N 2.89Å; T198-R200 WeakPolarHBondContact OG1-CD 3.5Å; T198-R200 WeakPolarHBondContact OG1-CG 3.37Å; R200-E245 WeakPolarHBondContact CA-OE2 2.79Å; R200-E245 VanDerWaalsContact CB-OE2 3.27Å; R200-E245 WeakPolarHBondContact CB-OE2 3.31Å; R200-E245 WeakPolarHBondContact CD-O 3.26Å; R200-E245 WeakPolarHBondContact CG-OE2 3.27Å; R200-E245 PolarHBondContact NE-O 3.01Å; R200-E245 IonicContact NE-OE2 2.57Å; R200-E245 VanDerWaalsContact NH1-C 3.33Å; R200-E245 PolarHBondContact NH1-O 3.25Å; R200-E245 PolarHBondContact NH2-O 3.14Å; R200-D246 VanDerWaalsContact NH1-CA 3.27Å; R200-D246 PolarHBondContact NH1-O 3.39Å; R200-D246 IonicContact NH2-OD1 2.76Å; R200-D246 PolarHBondContact NH2-OD1 3.19Å; R200-V248 HydrophobicContact CG-CB 4.37Å; R200-V248 HydrophobicContact CG-CG1 3.88Å; R200-G249 VanDerWaalsContact NH1-CA 3.26Å | ||
| 201 | K | 84.4 | Confident | 85.9 | Confident | 137 Ų | 137 | 43.3 Ų | 43.3 | 60% | 0.596 | 21% | 0.205 | S | C | * | . | trans | -60.7 | 155.4 | 176.5 | -66.6 | 179.9 | -178.3 | 179.2 | 0 | 110.5 | R165 D203 E245 | R165-K201 PolarHBondContact NH1-O 3.3Å; K201-D203 PolarHBondContact O-N 2.89Å; K201-E245 PolarHBondContact N-OE2 3.11Å | ||
| 202 | F | 89.8 | Confident | 86.3 | Confident | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.057 | 18% | 0.178 | C | C | . | . | trans | -62.3 | 126.9 | 168.5 | -174.1 | -85.5 | 0 | 0 | 0 | 108.1 | E162 R168 Y171 V172 F204 L209 | E162-F202 HydrophobicContact CG-CD2 4.16Å; E162-F202 HydrophobicContact CG-CE1 4.46Å; E162-F202 HydrophobicContact CG-CE2 3.86Å; E162-F202 HydrophobicContact CG-CZ 4.02Å; E162-F202 WeakPolarHBondContact O-CE2 3.5Å; E162-F202 WeakPolarHBondContact OE1-CA 3.5Å; R168-F202 HydrophobicContact CB-CE2 3.99Å; Y171-F202 HydrophobicContact CD1-CB 3.63Å; Y171-F202 HydrophobicContact CD1-CD1 4.4Å; Y171-F202 HydrophobicContact CD1-CG 4.15Å; Y171-F202 HydrophobicContact CD2-CB 3.58Å; Y171-F202 AromaticContact CD2-CD2 3.9Å; Y171-F202 HydrophobicContact CD2-CD2 3.9Å; Y171-F202 AromaticContact CD2-CG 3.75Å; Y171-F202 HydrophobicContact CD2-CG 3.75Å; Y171-F202 HydrophobicContact CE1-CB 3.68Å; Y171-F202 HydrophobicContact CE2-CB 3.65Å; Y171-F202 HydrophobicContact CE2-CD2 4.48Å; Y171-F202 HydrophobicContact CE2-CG 4.29Å; Y171-F202 HydrophobicContact CG-CB 3.58Å; Y171-F202 HydrophobicContact CG-CD1 4.02Å; Y171-F202 HydrophobicContact CG-CD2 4.22Å; Y171-F202 AromaticContact CG-CG 3.67Å; Y171-F202 HydrophobicContact CG-CG 3.67Å; V172-F202 HydrophobicContact CG1-CE1 4.16Å; V172-F202 HydrophobicContact CG1-CZ 4.07Å; F202-F204 HydrophobicContact CD1-CD1 4.38Å; F202-F204 HydrophobicContact CD1-CD2 4.17Å; F202-F204 HydrophobicContact CD1-CE1 4.15Å; F202-F204 AromaticContact CD1-CE2 3.94Å; F202-F204 HydrophobicContact CD1-CE2 3.94Å; F202-F204 HydrophobicContact CD1-CG 4.39Å; F202-F204 AromaticContact CD1-CZ 3.94Å; F202-F204 HydrophobicContact CD1-CZ 3.94Å; F202-F204 AromaticContact CE1-CD1 3.88Å; F202-F204 HydrophobicContact CE1-CD1 3.88Å; F202-F204 HydrophobicContact CE1-CD2 4.48Å; F202-F204 AromaticContact CE1-CE1 3.66Å; F202-F204 HydrophobicContact CE1-CE1 3.66Å; F202-F204 HydrophobicContact CE1-CE2 4.3Å; F202-F204 HydrophobicContact CE1-CG 4.3Å; F202-F204 AromaticContact CE1-CZ 3.9Å; F202-F204 HydrophobicContact CE1-CZ 3.9Å; F202-L209 HydrophobicContact CE1-CD2 4.28Å; F202-L209 HydrophobicContact CZ-CD1 4.01Å | ||
| 203 | D | 91.2 | Very high | 86.7 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | trans | -113.1 | 102.1 | -169.8 | -179.3 | 20.3 | 0 | 0 | 0 | 112.6 | E162 K201 Q205 S206 S243 E245 | E162-D203 PolarHBondContact OE1-N 3.27Å; E162-D203 VanDerWaalsContact OE1-N 3.09Å; K201-D203 PolarHBondContact O-N 2.89Å; D203-Q205 PolarHBondContact O-N 3.12Å; D203-Q205 WeakPolarHBondContact OD1-CA 3.44Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.38Å; D203-Q205 PolarHBondContact OD1-N 3.33Å; D203-S206 VanDerWaalsContact CG-N 3.27Å; D203-S206 VanDerWaalsContact O-CB 3.24Å; D203-S206 WeakPolarHBondContact O-CB 3.42Å; D203-S206 PolarHBondContact O-N 2.97Å; D203-S206 PolarHBondContact OD1-N 3.18Å; D203-S206 VanDerWaalsContact OD2-CA 3.3Å; D203-S206 WeakPolarHBondContact OD2-CA 3.22Å; D203-S206 PolarHBondContact OD2-N 2.65Å; D203-S206 VanDerWaalsContact OD2-N 3.12Å; D203-S243 WeakPolarHBondContact OD2-CB 3.41Å; D203-S243 PolarHBondContact OD2-OG 2.95Å; D203-E245 HydrophobicContact CB-CB 3.79Å; D203-E245 HydrophobicContact CB-CG 4.01Å | ||
| 204 | F | 91.6 | Very high | 87 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 7% | 0.066 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.6 | 174.2 | -70 | -76 | 0 | 0 | 0 | 113.5 | V172 F202 L209 W223 P225 I227 L229 L234 | V172-F204 HydrophobicContact CG1-CE1 3.82Å; V172-F204 HydrophobicContact CG1-CZ 4.29Å; F202-F204 HydrophobicContact CD1-CD1 4.38Å; F202-F204 HydrophobicContact CD1-CD2 4.17Å; F202-F204 HydrophobicContact CD1-CE1 4.15Å; F202-F204 AromaticContact CD1-CE2 3.94Å; F202-F204 HydrophobicContact CD1-CE2 3.94Å; F202-F204 HydrophobicContact CD1-CG 4.39Å; F202-F204 AromaticContact CD1-CZ 3.94Å; F202-F204 HydrophobicContact CD1-CZ 3.94Å; F202-F204 AromaticContact CE1-CD1 3.88Å; F202-F204 HydrophobicContact CE1-CD1 3.88Å; F202-F204 HydrophobicContact CE1-CD2 4.48Å; F202-F204 AromaticContact CE1-CE1 3.66Å; F202-F204 HydrophobicContact CE1-CE1 3.66Å; F202-F204 HydrophobicContact CE1-CE2 4.3Å; F202-F204 HydrophobicContact CE1-CG 4.3Å; F202-F204 AromaticContact CE1-CZ 3.9Å; F202-F204 HydrophobicContact CE1-CZ 3.9Å; F204-L209 HydrophobicContact CB-CD2 4.47Å; F204-L209 HydrophobicContact CD1-CD2 4.09Å; F204-W223 HydrophobicContact CD1-CH2 4.15Å; F204-W223 HydrophobicContact CD1-CZ3 4.13Å; F204-W223 HydrophobicContact CE1-CH2 4.43Å; F204-W223 AromaticContact CE1-CZ3 3.97Å; F204-W223 HydrophobicContact CE1-CZ3 3.97Å; F204-P225 HydrophobicContact CE1-CB 3.74Å; F204-P225 HydrophobicContact CZ-CB 3.87Å; F204-I227 HydrophobicContact CE2-CD1 4.48Å; F204-L229 HydrophobicContact CB-CD1 4.4Å; F204-L229 HydrophobicContact CB-CD2 4.29Å; F204-L229 HydrophobicContact CD1-CD1 4.21Å; F204-L229 HydrophobicContact CD1-CD2 4.02Å; F204-L229 HydrophobicContact CD2-CD2 3.38Å; F204-L229 HydrophobicContact CE1-CD2 4.16Å; F204-L229 HydrophobicContact CE2-CD2 3.54Å; F204-L229 HydrophobicContact CG-CD1 4.22Å; F204-L229 HydrophobicContact CG-CD2 3.62Å; F204-L229 HydrophobicContact CZ-CD2 3.93Å; F204-L234 HydrophobicContact CB-CD1 4.4Å; F204-L234 VanDerWaalsContact O-CD1 3.25Å; F204-L234 WeakPolarHBondContact O-CD1 3.3Å |
| 205 | Q | 90.6 | Very high | 87.3 | Confident | 34 Ų | 34 | 26.8 Ų | 26.8 | 16% | 0.159 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.7 | 176.4 | -65.9 | 177.7 | 106.5 | 0 | 0 | 112.9 | D203 I207 V232 F328 | D203-Q205 PolarHBondContact O-N 3.12Å; D203-Q205 WeakPolarHBondContact OD1-CA 3.44Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.38Å; D203-Q205 PolarHBondContact OD1-N 3.33Å; Q205-I207 PolarHBondContact O-N 3.49Å; Q205-V232 HydrophobicContact CG-CG1 3.59Å; Q205-F328 HydrophobicContact CB-CE1 4.31Å; Q205-F328 VanDerWaalsContact OE1-CD1 3.24Å |
| 206 | S | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -58.1 | 135.7 | -177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | D203 S208 L209 K240 D246 | D203-S206 VanDerWaalsContact CG-N 3.27Å; D203-S206 VanDerWaalsContact O-CB 3.24Å; D203-S206 WeakPolarHBondContact O-CB 3.42Å; D203-S206 PolarHBondContact O-N 2.97Å; D203-S206 PolarHBondContact OD1-N 3.18Å; D203-S206 VanDerWaalsContact OD2-CA 3.3Å; D203-S206 WeakPolarHBondContact OD2-CA 3.22Å; D203-S206 PolarHBondContact OD2-N 2.65Å; D203-S206 VanDerWaalsContact OD2-N 3.12Å; S206-S208 PolarHBondContact O-N 2.94Å; S206-S208 PolarHBondContact OG-N 3.45Å; S206-S208 PolarHBondContact OG-OG 2.99Å; S206-L209 PolarHBondContact O-N 3.49Å; S206-L209 VanDerWaalsContact O-N 3.11Å; S206-K240 WeakPolarHBondContact O-CD 3.36Å; S206-K240 PolarHBondContact O-NZ 3.26Å; S206-D246 WeakPolarHBondContact CA-OD2 3.41Å; S206-D246 WeakPolarHBondContact CB-OD1 3.4Å; S206-D246 PolarHBondContact OG-OD1 3Å; S206-D246 PolarHBondContact OG-OD2 3.23Å | ||
| 207 | I | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.7 | 172.4 | -164.4 | 62.7 | 0 | 0 | 0 | 111.5 | G147 L150 H151 L154 Q205 I237 K240 D246 | G147-I207 WeakPolarHBondContact O-CD1 3.4Å; G147-I207 WeakPolarHBondContact O-CG1 3.25Å; L150-I207 HydrophobicContact CB-CG1 3.88Å; H151-I207 HydrophobicContact CB-CG1 4.23Å; H151-I207 PolarHBondContact ND1-O 3.25Å; L154-I207 HydrophobicContact CD1-CG2 3.99Å; L154-I207 HydrophobicContact CD2-CG2 3.34Å; L154-I207 HydrophobicContact CG-CG2 4.16Å; Q205-I207 PolarHBondContact O-N 3.49Å; I207-I237 HydrophobicContact CD1-CG2 4.42Å; I207-K240 HydrophobicContact CD1-CB 3.26Å; I207-K240 HydrophobicContact CD1-CD 4.22Å; I207-K240 HydrophobicContact CD1-CG 4.37Å; I207-D246 WeakPolarHBondContact CG2-OD2 3.29Å; I207-D246 PolarHBondContact N-OD2 3.34Å |
| 208 | S | 94.6 | Very high | 89 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.2 | 177.6 | 76.7 | 0 | 0 | 0 | 0 | 114.3 | M160 H161 E162 S206 | M160-S208 WeakPolarHBondContact O-CB 3.21Å; M160-S208 PolarHBondContact O-OG 2.84Å; H161-S208 WeakPolarHBondContact CA-O 3.24Å; E162-S208 PolarHBondContact N-O 2.79Å; E162-S208 PolarHBondContact N-OG 3.04Å; S206-S208 PolarHBondContact O-N 2.94Å; S206-S208 PolarHBondContact OG-N 3.45Å; S206-S208 PolarHBondContact OG-OG 2.99Å |
| 209 | L | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -84.1 | 120.6 | 174 | -176.6 | 64.1 | 0 | 0 | 0 | 110.4 | E162 I163 F202 F204 S206 W223 K240 | E162-L209 HydrophobicContact CB-CB 3.84Å; E162-L209 HydrophobicContact CB-CD1 4.02Å; E162-L209 HydrophobicContact CG-CB 4.42Å; E162-L209 HydrophobicContact CG-CD1 4.44Å; I163-L209 HydrophobicContact CB-CD1 4.03Å; I163-L209 HydrophobicContact CD1-CD1 4.09Å; F202-L209 HydrophobicContact CE1-CD2 4.28Å; F202-L209 HydrophobicContact CZ-CD1 4.01Å; F204-L209 HydrophobicContact CB-CD2 4.47Å; F204-L209 HydrophobicContact CD1-CD2 4.09Å; S206-L209 PolarHBondContact O-N 3.49Å; S206-L209 VanDerWaalsContact O-N 3.11Å; L209-W223 HydrophobicContact CD1-CZ2 4.14Å; L209-W223 HydrophobicContact CD2-CH2 3.79Å; L209-W223 HydrophobicContact CD2-CZ2 3.84Å; L209-W223 HydrophobicContact CG-CH2 4.37Å; L209-W223 HydrophobicContact CG-CZ2 3.91Å; L209-K240 PolarHBondContact O-NZ 2.77Å |
| 210 | Y | 93.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 7% | 0.071 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 145.9 | 172.7 | -75.9 | -18.6 | 0 | 0 | 0 | 113 | H151 H161 I163 E186 F187 T214 F215 W223 I237 | H151-Y210 AromaticContact CE1-CE1 3.92Å; H151-Y210 AromaticContact NE2-CE1 3.91Å; H161-Y210 AromaticContact CD2-CE1 3.38Å; H161-Y210 WeakPolarHBondContact CD2-CE1 3.47Å; H161-Y210 AromaticContact CD2-CZ 3.6Å; H161-Y210 AromaticContact CE1-CE1 3.92Å; H161-Y210 AromaticContact CE1-CZ 3.43Å; H161-Y210 VanDerWaalsContact CE1-CZ 3.43Å; H161-Y210 PolarHBondContact CE1-OH 3.44Å; H161-Y210 AromaticContact CG-CZ 3.99Å; H161-Y210 AromaticContact ND1-CZ 3.88Å; H161-Y210 AromaticContact NE2-CE1 3.21Å; H161-Y210 WeakPolarHBondContact NE2-CE1 3.44Å; H161-Y210 AromaticContact NE2-CZ 3.22Å; H161-Y210 PolarHBondContact NE2-OH 2.96Å; I163-Y210 HydrophobicContact CG2-CD2 4.11Å; E186-Y210 HydrophobicContact CB-CE2 4.08Å; E186-Y210 PolarHBondContact OE2-OH 3.3Å; F187-Y210 AromaticContact CE1-CD2 3.97Å; F187-Y210 HydrophobicContact CE1-CD2 3.97Å; F187-Y210 HydrophobicContact CZ-CD2 4.03Å; Y210-T214 HydrophobicContact CD1-CG2 4.46Å; Y210-T214 HydrophobicContact CD2-CG2 4.46Å; Y210-T214 HydrophobicContact CG-CG2 4.27Å; Y210-F215 HydrophobicContact CD2-CE2 4.33Å; Y210-F215 HydrophobicContact CE2-CD2 4.18Å; Y210-F215 AromaticContact CE2-CE2 3.6Å; Y210-F215 HydrophobicContact CE2-CE2 3.6Å; Y210-F215 AromaticContact CZ-CE2 3.77Å; Y210-W223 WeakPolarHBondContact O-CZ2 3.38Å; Y210-W223 PolarHBondContact O-NE1 2.77Å; Y210-I237 HydrophobicContact CD1-CD1 4.08Å |
| 211 | D | 92.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.053 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 138.4 | 168.9 | 179.5 | -73.4 | 0 | 0 | 0 | 109.4 | F213 T214 V392 R407 | D211-F213 PolarHBondContact O-N 3.26Å; D211-F213 PolarHBondContact OD1-N 2.9Å; D211-T214 WeakPolarHBondContact CA-OG1 3.48Å; D211-T214 VanDerWaalsContact CB-OG1 3.29Å; D211-T214 WeakPolarHBondContact CB-OG1 3.34Å; D211-T214 PolarHBondContact N-OG1 3.12Å; D211-T214 VanDerWaalsContact N-OG1 3.08Å; D211-T214 VanDerWaalsContact O-CB 3.29Å; D211-T214 WeakPolarHBondContact O-CB 3.49Å; D211-T214 PolarHBondContact O-N 2.78Å; D211-T214 PolarHBondContact O-OG1 3.37Å; D211-V392 WeakPolarHBondContact OD2-CG2 3.45Å; D211-R407 IonicContact OD1-CZ 3.41Å; D211-R407 VanDerWaalsContact OD1-CZ 3.3Å; D211-R407 IonicContact OD1-NH1 3.39Å; D211-R407 PolarHBondContact OD1-NH1 2.78Å; D211-R407 IonicContact OD1-NH2 2.61Å; D211-R407 PolarHBondContact OD1-NH2 3.3Å; D211-R407 IonicContact OD2-CZ 3.64Å; D211-R407 IonicContact OD2-NH1 2.78Å; D211-R407 IonicContact OD2-NH2 3.63Å; D211-R407 PolarHBondContact OD2-NH2 3.02Å |
| 212 | P | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | -25 | 179.1 | -33.7 | 35.9 | 0 | 0 | 0 | 116.5 | P221 V222 W223 L234 V392 L396 | P212-P221 HydrophobicContact CB-CB 4.5Å; P212-P221 CarbonylContact O-C 3.5Å; P212-P221 WeakPolarHBondContact O-CA 3.43Å; P212-V222 WeakPolarHBondContact O-CB 3.49Å; P212-V222 PolarHBondContact O-N 3.35Å; P212-W223 HydrophobicContact CB-CD2 4.45Å; P212-W223 HydrophobicContact CB-CZ2 4.36Å; P212-W223 WeakPolarHBondContact CB-O 3.31Å; P212-W223 HydrophobicContact CG-CD2 4.33Å; P212-W223 HydrophobicContact CG-CH2 3.76Å; P212-W223 HydrophobicContact CG-CZ2 3.51Å; P212-W223 HydrophobicContact CG-CZ3 4.27Å; P212-W223 PolarHBondContact O-N 3.27Å; P212-L234 HydrophobicContact CG-CD2 3.65Å; P212-V392 HydrophobicContact CB-CG1 4.05Å; P212-V392 HydrophobicContact CG-CB 4.4Å; P212-V392 HydrophobicContact CG-CG1 3.63Å; P212-L396 HydrophobicContact CB-CD2 4.06Å; P212-L396 HydrophobicContact CG-CD1 4.16Å |
| 213 | F | 92.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 4% | 0.039 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 9.7 | -179.1 | -54.5 | -104.2 | 0 | 0 | 0 | 112.5 | D211 F215 T216 G219 P221 V392 L396 S431 | D211-F213 PolarHBondContact O-N 3.26Å; D211-F213 PolarHBondContact OD1-N 2.9Å; F213-F215 PolarHBondContact O-N 3.19Å; F213-T216 HydrophobicContact CB-CG2 4.2Å; F213-T216 WeakPolarHBondContact O-CB 3.19Å; F213-T216 WeakPolarHBondContact O-CG2 3.43Å; F213-T216 PolarHBondContact O-N 3.21Å; F213-G219 VanDerWaalsContact CD1-O 3.29Å; F213-G219 WeakPolarHBondContact CD1-O 3.38Å; F213-G219 WeakPolarHBondContact CE1-O 3.47Å; F213-P221 HydrophobicContact CD1-CB 4.4Å; F213-P221 HydrophobicContact CE1-CB 4.04Å; F213-P221 HydrophobicContact CE1-CG 4.39Å; F213-P221 HydrophobicContact CE2-CB 4.45Å; F213-P221 HydrophobicContact CZ-CB 4.06Å; F213-P221 HydrophobicContact CZ-CG 4.49Å; F213-V392 HydrophobicContact CD2-CG1 3.9Å; F213-V392 HydrophobicContact CE2-CG1 3.58Å; F213-L396 HydrophobicContact CE2-CD2 4.25Å; F213-L396 HydrophobicContact CZ-CD2 4.33Å; F213-S431 WeakPolarHBondContact O-CB 3.47Å |
| 214 | T | 89.9 | Confident | 92.1 | Very high | 28 Ų | 28 | 17.3 Ų | 17.3 | 17% | 0.172 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 130.1 | 175.2 | -50.3 | 0 | 0 | 0 | 0 | 109 | Y210 D211 T216 | Y210-T214 HydrophobicContact CD1-CG2 4.46Å; Y210-T214 HydrophobicContact CD2-CG2 4.46Å; Y210-T214 HydrophobicContact CG-CG2 4.27Å; D211-T214 WeakPolarHBondContact CA-OG1 3.48Å; D211-T214 VanDerWaalsContact CB-OG1 3.29Å; D211-T214 WeakPolarHBondContact CB-OG1 3.34Å; D211-T214 PolarHBondContact N-OG1 3.12Å; D211-T214 VanDerWaalsContact N-OG1 3.08Å; D211-T214 VanDerWaalsContact O-CB 3.29Å; D211-T214 WeakPolarHBondContact O-CB 3.49Å; D211-T214 PolarHBondContact O-N 2.78Å; D211-T214 PolarHBondContact O-OG1 3.37Å; T214-T216 PolarHBondContact O-N 2.96Å |
| 215 | F | 89.9 | Confident | 92.3 | Very high | 55 Ų | 55 | 17 Ų | 17 | 24% | 0.241 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 23.6 | -178.6 | -48.5 | -50.1 | 0 | 0 | 0 | 114.9 | D180 Y183 E186 F187 Y210 F213 | D180-F215 WeakPolarHBondContact CB-O 3.38Å; D180-F215 PolarHBondContact N-O 2.79Å; Y183-F215 AromaticContact CD1-CD1 3.5Å; Y183-F215 HydrophobicContact CD1-CD1 3.5Å; Y183-F215 AromaticContact CD1-CD2 3.95Å; Y183-F215 HydrophobicContact CD1-CD2 3.95Å; Y183-F215 AromaticContact CD1-CE1 3.48Å; Y183-F215 HydrophobicContact CD1-CE1 3.48Å; Y183-F215 VanDerWaalsContact CD1-CE1 3.48Å; Y183-F215 AromaticContact CD1-CE2 3.91Å; Y183-F215 HydrophobicContact CD1-CE2 3.91Å; Y183-F215 AromaticContact CD1-CG 3.76Å; Y183-F215 HydrophobicContact CD1-CG 3.76Å; Y183-F215 AromaticContact CD1-CZ 3.69Å; Y183-F215 HydrophobicContact CD1-CZ 3.69Å; Y183-F215 HydrophobicContact CD2-CB 3.89Å; Y183-F215 AromaticContact CD2-CD1 3.66Å; Y183-F215 HydrophobicContact CD2-CD1 3.66Å; Y183-F215 HydrophobicContact CD2-CE1 4.39Å; Y183-F215 AromaticContact CD2-CG 3.86Å; Y183-F215 HydrophobicContact CD2-CG 3.86Å; Y183-F215 AromaticContact CE1-CD1 3.61Å; Y183-F215 HydrophobicContact CE1-CD1 3.61Å; Y183-F215 AromaticContact CE1-CE1 3.32Å; Y183-F215 HydrophobicContact CE1-CE1 3.32Å; Y183-F215 HydrophobicContact CE1-CE2 4.5Å; Y183-F215 HydrophobicContact CE1-CG 4.34Å; Y183-F215 AromaticContact CE1-CZ 3.83Å; Y183-F215 HydrophobicContact CE1-CZ 3.83Å; Y183-F215 AromaticContact CE2-CD1 3.75Å; Y183-F215 HydrophobicContact CE2-CD1 3.75Å; Y183-F215 HydrophobicContact CE2-CE1 4.27Å; Y183-F215 HydrophobicContact CE2-CG 4.42Å; Y183-F215 HydrophobicContact CG-CB 3.82Å; Y183-F215 AromaticContact CG-CD1 3.52Å; Y183-F215 HydrophobicContact CG-CD1 3.52Å; Y183-F215 AromaticContact CG-CD2 3.93Å; Y183-F215 HydrophobicContact CG-CD2 3.93Å; Y183-F215 HydrophobicContact CG-CE1 4.02Å; Y183-F215 HydrophobicContact CG-CE2 4.36Å; Y183-F215 AromaticContact CG-CG 3.48Å; Y183-F215 HydrophobicContact CG-CG 3.48Å; Y183-F215 VanDerWaalsContact CG-CG 3.48Å; Y183-F215 HydrophobicContact CG-CZ 4.41Å; Y183-F215 AromaticContact CZ-CD1 3.72Å; Y183-F215 AromaticContact CZ-CE1 3.74Å; E186-F215 HydrophobicContact CB-CE2 4.36Å; E186-F215 HydrophobicContact CG-CE2 4.22Å; F187-F215 HydrophobicContact CE2-CB 4.17Å; F187-F215 AromaticContact CE2-CD2 3.72Å; F187-F215 HydrophobicContact CE2-CD2 3.72Å; F187-F215 HydrophobicContact CE2-CG 4.44Å; F187-F215 HydrophobicContact CZ-CB 4.45Å; F187-F215 AromaticContact CZ-CD2 3.9Å; F187-F215 HydrophobicContact CZ-CD2 3.9Å; Y210-F215 HydrophobicContact CD2-CE2 4.33Å; Y210-F215 HydrophobicContact CE2-CD2 4.18Å; Y210-F215 AromaticContact CE2-CE2 3.6Å; Y210-F215 HydrophobicContact CE2-CE2 3.6Å; Y210-F215 AromaticContact CZ-CE2 3.77Å; F213-F215 PolarHBondContact O-N 3.19Å |
| 216 | T | 91.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -67.4 | 133 | 170.6 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | N178 F213 T214 N218 G219 N220 S430 | N178-T216 WeakPolarHBondContact O-CA 3.45Å; F213-T216 HydrophobicContact CB-CG2 4.2Å; F213-T216 WeakPolarHBondContact O-CB 3.19Å; F213-T216 WeakPolarHBondContact O-CG2 3.43Å; F213-T216 PolarHBondContact O-N 3.21Å; T214-T216 PolarHBondContact O-N 2.96Å; T216-N218 PolarHBondContact OG1-N 2.98Å; T216-N218 PolarHBondContact OG1-OD1 3.34Å; T216-G219 PolarHBondContact OG1-N 3.25Å; T216-N220 VanDerWaalsContact CB-O 3.3Å; T216-N220 WeakPolarHBondContact CB-O 3.15Å; T216-N220 PolarHBondContact OG1-N 3.07Å; T216-N220 PolarHBondContact OG1-O 3.48Å; T216-S430 PolarHBondContact O-OG 2.91Å |
| 217 | S | 87.8 | Confident | 92.1 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 46% | 0.455 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -88.3 | -19.6 | 176.2 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | N178 | N178-S217 PolarHBondContact O-N 3.08Å; N178-S217 PolarHBondContact O-OG 3.48Å; N178-S217 VanDerWaalsContact O-OG 3.09Å |
| 218 | N | 86.3 | Confident | 91.6 | Very high | 49 Ų | 49 | 29.6 Ų | 29.6 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -129.5 | 1.4 | -170.5 | 59.8 | 11 | 0 | 0 | 0 | 113.7 | N178 T216 N220 | N178-N218 PolarHBondContact OD1-ND2 3.04Å; T216-N218 PolarHBondContact OG1-N 2.98Å; T216-N218 PolarHBondContact OG1-OD1 3.34Å; N218-N220 VanDerWaalsContact C-N 3.28Å; N218-N220 PolarHBondContact O-N 2.83Å; N218-N220 VanDerWaalsContact OD1-CB 3.32Å; N218-N220 WeakPolarHBondContact OD1-CB 3.17Å; N218-N220 PolarHBondContact OD1-N 3.07Å |
| 219 | G | 86.6 | Confident | 91.1 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 85.1 | -5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F213 T216 S430 | F213-G219 VanDerWaalsContact CD1-O 3.29Å; F213-G219 WeakPolarHBondContact CD1-O 3.38Å; F213-G219 WeakPolarHBondContact CE1-O 3.47Å; T216-G219 PolarHBondContact OG1-N 3.25Å; G219-S430 WeakPolarHBondContact CA-O 3.47Å |
| 220 | N | 91 | Very high | 90.2 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -82.8 | 156.7 | 174.7 | -63.6 | -30.1 | 0 | 0 | 0 | 110.9 | N178 T216 N218 V222 Y399 | N178-N220 HydrophobicContact CB-CB 4.46Å; N178-N220 WeakPolarHBondContact ND2-CB 3.29Å; T216-N220 VanDerWaalsContact CB-O 3.3Å; T216-N220 WeakPolarHBondContact CB-O 3.15Å; T216-N220 PolarHBondContact OG1-N 3.07Å; T216-N220 PolarHBondContact OG1-O 3.48Å; N218-N220 VanDerWaalsContact C-N 3.28Å; N218-N220 PolarHBondContact O-N 2.83Å; N218-N220 VanDerWaalsContact OD1-CB 3.32Å; N218-N220 WeakPolarHBondContact OD1-CB 3.17Å; N218-N220 PolarHBondContact OD1-N 3.07Å; N220-V222 PolarHBondContact O-N 3.08Å; N220-Y399 HydrophobicContact CB-CE2 3.85Å; N220-Y399 WeakPolarHBondContact OD1-CE2 3.37Å |
| 221 | P | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -63.7 | 133.1 | 177.7 | 26.6 | -34 | 0 | 0 | 0 | 111.1 | H175 N178 P212 F213 L396 Y399 | H175-P221 PolarHBondContact CD2-O 2.95Å; N178-P221 PolarHBondContact ND2-O 3.38Å; P212-P221 HydrophobicContact CB-CB 4.5Å; P212-P221 CarbonylContact O-C 3.5Å; P212-P221 WeakPolarHBondContact O-CA 3.43Å; F213-P221 HydrophobicContact CD1-CB 4.4Å; F213-P221 HydrophobicContact CE1-CB 4.04Å; F213-P221 HydrophobicContact CE1-CG 4.39Å; F213-P221 HydrophobicContact CE2-CB 4.45Å; F213-P221 HydrophobicContact CZ-CB 4.06Å; F213-P221 HydrophobicContact CZ-CG 4.49Å; P221-L396 HydrophobicContact CB-CD2 3.66Å; P221-L396 HydrophobicContact CG-CD2 4.08Å; P221-Y399 HydrophobicContact CG-CD1 3.44Å; P221-Y399 VanDerWaalsContact CG-CD1 3.44Å; P221-Y399 HydrophobicContact CG-CD2 4.27Å; P221-Y399 HydrophobicContact CG-CE1 3.46Å; P221-Y399 VanDerWaalsContact CG-CE1 3.46Å; P221-Y399 HydrophobicContact CG-CE2 4.3Å; P221-Y399 HydrophobicContact CG-CG 3.86Å | ||
| 222 | V | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -73.8 | -30.9 | 170.9 | 164.8 | 0 | 0 | 0 | 0 | 111 | L174 H175 N178 I179 F187 P212 N220 | L174-V222 HydrophobicContact CD1-CG1 3.9Å; L174-V222 WeakPolarHBondContact CD1-O 3.3Å; H175-V222 PolarHBondContact N-O 2.89Å; N178-V222 HydrophobicContact CB-CG2 4.4Å; I179-V222 HydrophobicContact CD1-CG1 3.77Å; I179-V222 HydrophobicContact CG1-CB 4.22Å; I179-V222 HydrophobicContact CG1-CG1 3.41Å; I179-V222 VanDerWaalsContact CG1-CG1 3.41Å; I179-V222 HydrophobicContact CG1-CG2 3.92Å; F187-V222 HydrophobicContact CD1-CG1 3.97Å; F187-V222 HydrophobicContact CE1-CG1 3.46Å; F187-V222 VanDerWaalsContact CE1-CG1 3.46Å; F187-V222 HydrophobicContact CE2-CG1 4.22Å; F187-V222 HydrophobicContact CZ-CG1 3.6Å; P212-V222 WeakPolarHBondContact O-CB 3.49Å; P212-V222 PolarHBondContact O-N 3.35Å; N220-V222 PolarHBondContact O-N 3.08Å |
| 223 | W | 96.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154.5 | 174.3 | 66.6 | -94.5 | 0 | 0 | 0 | 111.8 | I163 V172 I173 L174 F204 L209 Y210 P212 L234 | I163-W223 HydrophobicContact CD1-CB 4.42Å; I163-W223 HydrophobicContact CD1-CD2 4.23Å; I163-W223 HydrophobicContact CD1-CG 3.96Å; V172-W223 HydrophobicContact CB-CE3 4.15Å; V172-W223 HydrophobicContact CG1-CD2 4.44Å; V172-W223 HydrophobicContact CG1-CE3 3.64Å; V172-W223 HydrophobicContact CG1-CZ3 3.95Å; I173-W223 CarbonylContact O-C 3.49Å; I173-W223 WeakPolarHBondContact O-CA 3.32Å; I173-W223 WeakPolarHBondContact O-CB 3.19Å; L174-W223 HydrophobicContact CD1-CB 4.17Å; F204-W223 HydrophobicContact CD1-CH2 4.15Å; F204-W223 HydrophobicContact CD1-CZ3 4.13Å; F204-W223 HydrophobicContact CE1-CH2 4.43Å; F204-W223 AromaticContact CE1-CZ3 3.97Å; F204-W223 HydrophobicContact CE1-CZ3 3.97Å; L209-W223 HydrophobicContact CD1-CZ2 4.14Å; L209-W223 HydrophobicContact CD2-CH2 3.79Å; L209-W223 HydrophobicContact CD2-CZ2 3.84Å; L209-W223 HydrophobicContact CG-CH2 4.37Å; L209-W223 HydrophobicContact CG-CZ2 3.91Å; Y210-W223 WeakPolarHBondContact O-CZ2 3.38Å; Y210-W223 PolarHBondContact O-NE1 2.77Å; P212-W223 HydrophobicContact CB-CD2 4.45Å; P212-W223 HydrophobicContact CB-CZ2 4.36Å; P212-W223 WeakPolarHBondContact CB-O 3.31Å; P212-W223 HydrophobicContact CG-CD2 4.33Å; P212-W223 HydrophobicContact CG-CH2 3.76Å; P212-W223 HydrophobicContact CG-CZ2 3.51Å; P212-W223 HydrophobicContact CG-CZ3 4.27Å; P212-W223 PolarHBondContact O-N 3.27Å; W223-L234 HydrophobicContact CH2-CD1 4.06Å; W223-L234 HydrophobicContact CH2-CD2 3.84Å; W223-L234 HydrophobicContact CZ3-CD2 4.47Å |
| 224 | E | 95.1 | Very high | 87.9 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.9 | 172.9 | 64.6 | 171.5 | -179.5 | 0 | 0 | 111.7 | V172 I173 H175 L396 R400 | V172-E224 CarbonylContact C-O 3.01Å; V172-E224 WeakPolarHBondContact CA-O 3.46Å; V172-E224 WeakPolarHBondContact CB-O 3.35Å; I173-E224 HydrophobicContact CB-CG 3.95Å; I173-E224 HydrophobicContact CD1-CG 4.37Å; I173-E224 HydrophobicContact CG1-CG 4.45Å; I173-E224 PolarHBondContact N-O 2.93Å; I173-E224 PolarHBondContact O-N 3.45Å; H175-E224 IonicContact NE2-OE1 2.79Å; E224-L396 HydrophobicContact CB-CD2 4.34Å; E224-R400 IonicContact OE2-CZ 2.9Å; E224-R400 VanDerWaalsContact OE2-CZ 3.28Å; E224-R400 IonicContact OE2-NE 3.64Å; E224-R400 PolarHBondContact OE2-NE 3.31Å; E224-R400 IonicContact OE2-NH2 2.86Å; E224-R400 PolarHBondContact OE2-NH2 3.39Å |
| 225 | P | 94.9 | Very high | 87.7 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138.9 | 175 | 31.1 | -34.7 | 0 | 0 | 0 | 110.6 | Y171 F204 I227 L229 L396 | Y171-P225 WeakPolarHBondContact O-CA 3.35Å; F204-P225 HydrophobicContact CE1-CB 3.74Å; F204-P225 HydrophobicContact CZ-CB 3.87Å; P225-I227 VanDerWaalsContact C-N 3.31Å; P225-I227 WeakPolarHBondContact CB-O 3.25Å; P225-L229 HydrophobicContact CB-CD1 4.24Å; P225-L229 HydrophobicContact CB-CD2 4.01Å; P225-L229 HydrophobicContact CB-CG 4.03Å; P225-L229 HydrophobicContact CG-CD1 3.97Å; P225-L229 HydrophobicContact CG-CD2 4.5Å; P225-L229 HydrophobicContact CG-CG 3.96Å; P225-L396 HydrophobicContact CG-CD1 4.46Å |
| 226 | I | 93.8 | Very high | 87.5 | Confident | 88 Ų | 88 | 39.4 Ų | 39.4 | 45% | 0.451 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -69 | -34 | 174.5 | -67.3 | 171.1 | 0 | 0 | 0 | 110.8 | D169 Y171 I173 | D169-I226 WeakPolarHBondContact O-CD1 3.32Å; Y171-I226 PolarHBondContact O-N 2.74Å; I173-I226 HydrophobicContact CD1-CG1 4.32Å; I173-I226 HydrophobicContact CG1-CD1 4.39Å; I173-I226 HydrophobicContact CG1-CG1 3.65Å |
| 227 | I | 86.9 | Confident | 87.5 | Confident | 95 Ų | 95 | 40.5 Ų | 40.5 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -98.7 | 156 | 179.2 | 63.1 | 171 | 0 | 0 | 0 | 110.9 | F204 P225 L229 | F204-I227 HydrophobicContact CE2-CD1 4.48Å; P225-I227 VanDerWaalsContact C-N 3.31Å; P225-I227 WeakPolarHBondContact CB-O 3.25Å; I227-L229 HydrophobicContact CG1-CD2 4.33Å; I227-L229 PolarHBondContact O-N 3.33Å |
| 228 | N | 85.3 | Confident | 87.5 | Confident | 115 Ų | 115 | 39.6 Ų | 39.6 | 62% | 0.615 | 22% | 0.217 | S | C | * | . | trans | -65.1 | 133.9 | 162.9 | -167 | 0.2 | 0 | 0 | 0 | 108.8 | D230 | N228-D230 PolarHBondContact O-N 3.12Å; N228-D230 PolarHBondContact OD1-N 3.17Å | ||
| 229 | L | 83.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | trans | -84.4 | 8.5 | -179.9 | -64.4 | -177.9 | 0 | 0 | 0 | 112.5 | F204 P225 I227 D231 V232 L234 R393 | F204-L229 HydrophobicContact CB-CD1 4.4Å; F204-L229 HydrophobicContact CB-CD2 4.29Å; F204-L229 HydrophobicContact CD1-CD1 4.21Å; F204-L229 HydrophobicContact CD1-CD2 4.02Å; F204-L229 HydrophobicContact CD2-CD2 3.38Å; F204-L229 HydrophobicContact CE1-CD2 4.16Å; F204-L229 HydrophobicContact CE2-CD2 3.54Å; F204-L229 HydrophobicContact CG-CD1 4.22Å; F204-L229 HydrophobicContact CG-CD2 3.62Å; F204-L229 HydrophobicContact CZ-CD2 3.93Å; P225-L229 HydrophobicContact CB-CD1 4.24Å; P225-L229 HydrophobicContact CB-CD2 4.01Å; P225-L229 HydrophobicContact CB-CG 4.03Å; P225-L229 HydrophobicContact CG-CD1 3.97Å; P225-L229 HydrophobicContact CG-CD2 4.5Å; P225-L229 HydrophobicContact CG-CG 3.96Å; I227-L229 HydrophobicContact CG1-CD2 4.33Å; I227-L229 PolarHBondContact O-N 3.33Å; L229-D231 PolarHBondContact O-N 2.75Å; L229-D231 VanDerWaalsContact O-N 3.09Å; L229-V232 HydrophobicContact CB-CB 4.46Å; L229-V232 WeakPolarHBondContact O-CA 3.41Å; L229-V232 VanDerWaalsContact O-CB 3.24Å; L229-V232 WeakPolarHBondContact O-CB 3.14Å; L229-V232 WeakPolarHBondContact O-CG2 3.36Å; L229-V232 PolarHBondContact O-N 3.18Å; L229-L234 HydrophobicContact CD1-CB 4.4Å; L229-L234 HydrophobicContact CD1-CD2 4.23Å; L229-R393 HydrophobicContact CD1-CG 4.24Å | ||
| 230 | D | 75.2 | Confident | 87.8 | Confident | 120 Ų | 120 | 38.8 Ų | 38.8 | 64% | 0.642 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | -111.3 | 179.5 | -62.1 | -30.6 | 0 | 0 | 0 | 112.5 | N228 R393 | N228-D230 PolarHBondContact O-N 3.12Å; N228-D230 PolarHBondContact OD1-N 3.17Å; D230-R393 PolarHBondContact O-NH1 3.47Å |
| 231 | D | 73.9 | Confident | 87.8 | Confident | 112 Ų | 112 | 37.7 Ų | 37.7 | 60% | 0.599 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100 | 6.3 | 178.2 | -79.3 | -45.6 | 0 | 0 | 0 | 114 | L229 P233 R329 | L229-D231 PolarHBondContact O-N 2.75Å; L229-D231 VanDerWaalsContact O-N 3.09Å; D231-P233 VanDerWaalsContact O-CD 3.22Å; D231-P233 WeakPolarHBondContact O-CD 3.33Å; D231-R329 VanDerWaalsContact O-CB 3.29Å; D231-R329 WeakPolarHBondContact O-CB 3.32Å; D231-R329 VanDerWaalsContact O-CD 3.25Å; D231-R329 WeakPolarHBondContact O-CD 3.02Å |
| 232 | V | 81.5 | Confident | 87.8 | Confident | 49 Ų | 49 | 37.7 Ų | 37.7 | 30% | 0.297 | 20% | 0.203 | S | C | . | . | trans | -78.7 | 108.9 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | Q205 L229 R393 | Q205-V232 HydrophobicContact CG-CG1 3.59Å; L229-V232 HydrophobicContact CB-CB 4.46Å; L229-V232 WeakPolarHBondContact O-CA 3.41Å; L229-V232 VanDerWaalsContact O-CB 3.24Å; L229-V232 WeakPolarHBondContact O-CB 3.14Å; L229-V232 WeakPolarHBondContact O-CG2 3.36Å; L229-V232 PolarHBondContact O-N 3.18Å; V232-R393 VanDerWaalsContact O-CD 3.27Å; V232-R393 WeakPolarHBondContact O-CD 3.29Å; V232-R393 PolarHBondContact O-NE 2.85Å; V232-R393 PolarHBondContact O-NH1 3.43Å; V232-R393 VanDerWaalsContact O-NH1 3.12Å | ||
| 233 | P | 81.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | trans | -68.8 | 139.5 | -177.9 | 29.4 | -35.2 | 0 | 0 | 0 | 111.2 | D231 F235 D391 | D231-P233 VanDerWaalsContact O-CD 3.22Å; D231-P233 WeakPolarHBondContact O-CD 3.33Å; P233-F235 HydrophobicContact CB-CD1 4.39Å; P233-F235 HydrophobicContact CB-CD2 4.05Å; P233-F235 HydrophobicContact CB-CE1 3.94Å; P233-F235 HydrophobicContact CB-CE2 3.57Å; P233-F235 HydrophobicContact CB-CG 4.44Å; P233-F235 HydrophobicContact CB-CZ 3.51Å; P233-F235 HydrophobicContact CG-CD2 4.18Å; P233-F235 HydrophobicContact CG-CE2 3.58Å; P233-F235 HydrophobicContact CG-CZ 3.92Å; P233-D391 WeakPolarHBondContact CA-OD2 3.34Å | ||
| 234 | L | 86.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -107.3 | 74 | 174.2 | -171.1 | 61.6 | 0 | 0 | 0 | 108.9 | F204 P212 W223 L229 D391 V392 R393 L396 | F204-L234 HydrophobicContact CB-CD1 4.4Å; F204-L234 VanDerWaalsContact O-CD1 3.25Å; F204-L234 WeakPolarHBondContact O-CD1 3.3Å; P212-L234 HydrophobicContact CG-CD2 3.65Å; W223-L234 HydrophobicContact CH2-CD1 4.06Å; W223-L234 HydrophobicContact CH2-CD2 3.84Å; W223-L234 HydrophobicContact CZ3-CD2 4.47Å; L229-L234 HydrophobicContact CD1-CB 4.4Å; L229-L234 HydrophobicContact CD1-CD2 4.23Å; L234-D391 PolarHBondContact N-OD1 2.93Å; L234-V392 HydrophobicContact CB-CB 4.39Å; L234-V392 HydrophobicContact CD2-CB 4.13Å; L234-V392 HydrophobicContact CG-CB 4.14Å; L234-V392 WeakPolarHBondContact O-CB 3.49Å; L234-V392 WeakPolarHBondContact O-CG2 3.29Å; L234-V392 PolarHBondContact O-N 3.33Å; L234-R393 HydrophobicContact CB-CG 3.86Å; L234-L396 HydrophobicContact CD2-CD1 4.12Å | ||
| 235 | F | 85.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 153.3 | 179.1 | -61.5 | -53.8 | 0 | 0 | 0 | 112.2 | P233 E239 K240 S390 D391 | P233-F235 HydrophobicContact CB-CD1 4.39Å; P233-F235 HydrophobicContact CB-CD2 4.05Å; P233-F235 HydrophobicContact CB-CE1 3.94Å; P233-F235 HydrophobicContact CB-CE2 3.57Å; P233-F235 HydrophobicContact CB-CG 4.44Å; P233-F235 HydrophobicContact CB-CZ 3.51Å; P233-F235 HydrophobicContact CG-CD2 4.18Å; P233-F235 HydrophobicContact CG-CE2 3.58Å; P233-F235 HydrophobicContact CG-CZ 3.92Å; F235-E239 HydrophobicContact CB-CB 4.48Å; F235-K240 HydrophobicContact CB-CG 4.09Å; F235-K240 WeakPolarHBondContact O-CE 3.34Å; F235-S390 WeakPolarHBondContact CA-O 3Å; F235-D391 HydrophobicContact CE1-CB 4.5Å |
| 236 | S | 86.4 | Confident | 87.3 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | trans | -65.1 | 154.2 | 168.7 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | S238 E239 K240 | S236-S238 PolarHBondContact O-N 3.29Å; S236-S238 PolarHBondContact OG-OG 2.87Å; S236-E239 PolarHBondContact O-N 2.96Å; S236-K240 WeakPolarHBondContact O-CG 3.27Å; S236-K240 PolarHBondContact O-N 3.44Å; S236-K240 VanDerWaalsContact O-N 3.1Å | ||
| 237 | I | 89.9 | Confident | 87.3 | Confident | 26 Ų | 26 | 34 Ų | 34 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -33 | -178.7 | -69.4 | 173.8 | 0 | 0 | 0 | 112 | G147 Q148 H151 I207 Y210 E239 K240 | G147-I237 CarbonylContact C-O 3.54Å; G147-I237 VanDerWaalsContact CA-O 3.27Å; G147-I237 WeakPolarHBondContact CA-O 3.34Å; Q148-I237 HydrophobicContact CG-CG2 4.02Å; H151-I237 HydrophobicContact CB-CG2 4.26Å; I207-I237 HydrophobicContact CD1-CG2 4.42Å; Y210-I237 HydrophobicContact CD1-CD1 4.08Å; I237-E239 PolarHBondContact O-N 3.44Å; I237-K240 PolarHBondContact O-N 2.84Å |
| 238 | S | 88.8 | Confident | 87.6 | Confident | 47 Ų | 47 | 29.6 Ų | 29.6 | 33% | 0.329 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.2 | -177.8 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | T145 S236 | T145-S238 WeakPolarHBondContact CB-O 3.42Å; T145-S238 VanDerWaalsContact OG1-CA 3.25Å; T145-S238 WeakPolarHBondContact OG1-CA 3.26Å; T145-S238 PolarHBondContact OG1-O 2.91Å; S236-S238 PolarHBondContact O-N 3.29Å; S236-S238 PolarHBondContact OG-OG 2.87Å |
| 239 | E | 88 | Confident | 87.9 | Confident | 29 Ų | 29 | 24.1 Ų | 24.1 | 14% | 0.136 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -11.1 | -177.9 | -53.7 | -164.6 | 161.7 | 0 | 0 | 113.8 | F235 S236 I237 I317 R321 R326 S390 | F235-E239 HydrophobicContact CB-CB 4.48Å; S236-E239 PolarHBondContact O-N 2.96Å; I237-E239 PolarHBondContact O-N 3.44Å; E239-I317 HydrophobicContact CB-CD1 3.99Å; E239-I317 VanDerWaalsContact CD-CD1 3.45Å; E239-I317 HydrophobicContact CG-CD1 3.52Å; E239-I317 WeakPolarHBondContact OE1-CD1 3.34Å; E239-R321 PolarHBondContact O-NH2 2.9Å; E239-R326 IonicContact OE1-NH2 2.78Å; E239-R326 PolarHBondContact OE1-NH2 3.3Å; E239-R326 IonicContact OE2-CZ 3.53Å; E239-R326 IonicContact OE2-NE 2.76Å; E239-R326 PolarHBondContact OE2-NE 3.2Å; E239-R326 IonicContact OE2-NH2 3.91Å; E239-R326 PolarHBondContact OE2-NH2 2.91Å; E239-R326 VanDerWaalsContact OE2-NH2 3.08Å; E239-S390 VanDerWaalsContact OE2-CB 3.26Å; E239-S390 WeakPolarHBondContact OE2-CB 3.4Å |
| 240 | K | 89.9 | Confident | 88.4 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | trans | -62.7 | 166.6 | 175.6 | -79.3 | -173.4 | -175 | -173.8 | 0 | 112.4 | S206 I207 L209 F235 S236 I237 | S206-K240 WeakPolarHBondContact O-CD 3.36Å; S206-K240 PolarHBondContact O-NZ 3.26Å; I207-K240 HydrophobicContact CD1-CB 3.26Å; I207-K240 HydrophobicContact CD1-CD 4.22Å; I207-K240 HydrophobicContact CD1-CG 4.37Å; L209-K240 PolarHBondContact O-NZ 2.77Å; F235-K240 HydrophobicContact CB-CG 4.09Å; F235-K240 WeakPolarHBondContact O-CE 3.34Å; S236-K240 WeakPolarHBondContact O-CG 3.27Å; S236-K240 PolarHBondContact O-N 3.44Å; S236-K240 VanDerWaalsContact O-N 3.1Å; I237-K240 PolarHBondContact O-N 2.84Å | ||
| 241 | Y | 91.6 | Very high | 89.3 | Confident | 16 Ų | 16 | 18.1 Ų | 18.1 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | trans | -137.4 | 176.2 | 178.2 | -150.4 | -127.8 | 0 | 0 | 0 | 109 | I86 L150 S243 R321 F328 | I86-Y241 HydrophobicContact CD1-CD2 3.96Å; I86-Y241 HydrophobicContact CD1-CE2 3.13Å; I86-Y241 HydrophobicContact CG1-CE2 3.79Å; I86-Y241 VanDerWaalsContact CG1-OH 3.29Å; I86-Y241 WeakPolarHBondContact CG1-OH 3.46Å; I86-Y241 HydrophobicContact CG2-CE1 4.1Å; I86-Y241 HydrophobicContact CG2-CE2 4.23Å; L150-Y241 HydrophobicContact CD1-CD2 4.42Å; Y241-S243 PolarHBondContact O-N 2.85Å; Y241-S243 VanDerWaalsContact O-N 3.16Å; Y241-R321 VanDerWaalsContact CD2-NH1 3.29Å; Y241-F328 HydrophobicContact CD1-CE2 4.26Å | ||
| 242 | L | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -69.1 | 113.1 | 174.6 | -168 | 72 | 0 | 0 | 0 | 110.1 | I86 I87 E90 L154 D246 T247 L250 Y285 R289 F328 | I86-L242 HydrophobicContact CG2-CB 3.88Å; I87-L242 HydrophobicContact CG1-CD2 4.44Å; E90-L242 HydrophobicContact CB-CD2 4.19Å; E90-L242 HydrophobicContact CG-CD2 4.45Å; L154-L242 HydrophobicContact CD1-CD1 3.79Å; L154-L242 HydrophobicContact CD2-CD1 4.26Å; L242-D246 HydrophobicContact CD1-CB 3.56Å; L242-D246 HydrophobicContact CG-CB 4.08Å; L242-T247 VanDerWaalsContact CD2-OG1 3.26Å; L242-T247 WeakPolarHBondContact CD2-OG1 3.47Å; L242-T247 WeakPolarHBondContact CG-OG1 3.43Å; L242-L250 HydrophobicContact CD1-CD1 4.18Å; L242-Y285 PolarHBondContact O-OH 2.91Å; L242-R289 PolarHBondContact O-NH2 3.23Å; L242-F328 WeakPolarHBondContact O-CE2 3.49Å | ||
| 243 | S | 92.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | trans | -72.7 | 169.9 | -177.4 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | D203 Y241 E245 D246 T247 Y285 | D203-S243 WeakPolarHBondContact OD2-CB 3.41Å; D203-S243 PolarHBondContact OD2-OG 2.95Å; Y241-S243 PolarHBondContact O-N 2.85Å; Y241-S243 VanDerWaalsContact O-N 3.16Å; S243-E245 PolarHBondContact OG-N 2.94Å; S243-D246 WeakPolarHBondContact OG-CB 2.88Å; S243-D246 PolarHBondContact OG-N 3.38Å; S243-D246 PolarHBondContact OG-OD2 3.43Å; S243-D246 VanDerWaalsContact OG-OD2 3.13Å; S243-T247 PolarHBondContact O-N 2.73Å; S243-T247 VanDerWaalsContact O-N 3.12Å; S243-T247 PolarHBondContact O-OG1 3.28Å; S243-Y285 PolarHBondContact O-OH 3.33Å | ||
| 244 | F | 92 | Very high | 91.1 | Very high | 19 Ų | 19 | 17 Ų | 17 | 8% | 0.083 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.8 | -50.8 | 174.6 | 172.5 | -102.2 | 0 | 0 | 0 | 111.3 | D246 T247 V248 F272 I280 A282 Y285 | F244-D246 PolarHBondContact O-N 3.19Å; F244-T247 WeakPolarHBondContact O-CB 3.24Å; F244-T247 PolarHBondContact O-N 3.47Å; F244-V248 HydrophobicContact CD1-CG2 4.05Å; F244-V248 HydrophobicContact CD2-CG2 4.49Å; F244-V248 HydrophobicContact CE1-CG2 3.77Å; F244-V248 HydrophobicContact CE2-CG2 4.28Å; F244-V248 HydrophobicContact CG-CG2 4.42Å; F244-V248 HydrophobicContact CZ-CG2 3.92Å; F244-V248 WeakPolarHBondContact O-CG2 3.39Å; F244-V248 PolarHBondContact O-N 3.43Å; F244-F272 HydrophobicContact CD2-CD1 4.13Å; F244-F272 AromaticContact CD2-CE1 3.74Å; F244-F272 HydrophobicContact CD2-CE1 3.74Å; F244-F272 HydrophobicContact CE1-CD1 4.49Å; F244-F272 AromaticContact CE2-CD1 3.29Å; F244-F272 HydrophobicContact CE2-CD1 3.29Å; F244-F272 AromaticContact CE2-CE1 3.31Å; F244-F272 HydrophobicContact CE2-CE1 3.31Å; F244-F272 AromaticContact CZ-CD1 3.52Å; F244-F272 HydrophobicContact CZ-CD1 3.52Å; F244-F272 HydrophobicContact CZ-CE1 4.01Å; F244-I280 HydrophobicContact CE2-CG2 4.43Å; F244-I280 WeakPolarHBondContact CE2-O 3.38Å; F244-A282 HydrophobicContact CB-CB 4.24Å; F244-A282 HydrophobicContact CD1-CB 3.79Å; F244-A282 HydrophobicContact CD2-CB 4.24Å; F244-A282 HydrophobicContact CE1-CB 4.13Å; F244-A282 HydrophobicContact CG-CB 3.84Å; F244-A282 HydrophobicContact CZ-CB 4.46Å; F244-Y285 HydrophobicContact CB-CD1 3.73Å; F244-Y285 HydrophobicContact CB-CE1 4.14Å; F244-Y285 HydrophobicContact CB-CG 4.16Å; F244-Y285 HydrophobicContact CD2-CD1 4.23Å; F244-Y285 HydrophobicContact CD2-CD2 4.2Å; F244-Y285 AromaticContact CD2-CG 3.76Å; F244-Y285 HydrophobicContact CD2-CG 3.76Å; F244-Y285 HydrophobicContact CG-CG 4.47Å |
| 245 | E | 92 | Very high | 91.4 | Very high | 32 Ų | 32 | 23.8 Ų | 23.8 | 15% | 0.15 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | -178.8 | -65.5 | -69.4 | 152 | 0 | 0 | 109.6 | R200 K201 D203 S243 T247 V248 G249 | R200-E245 WeakPolarHBondContact CA-OE2 2.79Å; R200-E245 VanDerWaalsContact CB-OE2 3.27Å; R200-E245 WeakPolarHBondContact CB-OE2 3.31Å; R200-E245 WeakPolarHBondContact CD-O 3.26Å; R200-E245 WeakPolarHBondContact CG-OE2 3.27Å; R200-E245 PolarHBondContact NE-O 3.01Å; R200-E245 IonicContact NE-OE2 2.57Å; R200-E245 VanDerWaalsContact NH1-C 3.33Å; R200-E245 PolarHBondContact NH1-O 3.25Å; R200-E245 PolarHBondContact NH2-O 3.14Å; K201-E245 PolarHBondContact N-OE2 3.11Å; D203-E245 HydrophobicContact CB-CB 3.79Å; D203-E245 HydrophobicContact CB-CG 4.01Å; S243-E245 PolarHBondContact OG-N 2.94Å; E245-T247 VanDerWaalsContact C-N 3.27Å; E245-T247 PolarHBondContact O-N 3.27Å; E245-V248 WeakPolarHBondContact O-CA 3.01Å; E245-V248 WeakPolarHBondContact O-CB 3.02Å; E245-V248 PolarHBondContact O-N 2.71Å; E245-G249 PolarHBondContact O-N 2.03Å |
| 246 | D | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -50.2 | -49.2 | 175.7 | -71.1 | -25 | 0 | 0 | 0 | 111.7 | L154 R200 S206 I207 L242 S243 F244 G249 L250 | L154-D246 HydrophobicContact CD2-CB 4.4Å; R200-D246 VanDerWaalsContact NH1-CA 3.27Å; R200-D246 PolarHBondContact NH1-O 3.39Å; R200-D246 IonicContact NH2-OD1 2.76Å; R200-D246 PolarHBondContact NH2-OD1 3.19Å; S206-D246 WeakPolarHBondContact CA-OD2 3.41Å; S206-D246 WeakPolarHBondContact CB-OD1 3.4Å; S206-D246 PolarHBondContact OG-OD1 3Å; S206-D246 PolarHBondContact OG-OD2 3.23Å; I207-D246 WeakPolarHBondContact CG2-OD2 3.29Å; I207-D246 PolarHBondContact N-OD2 3.34Å; L242-D246 HydrophobicContact CD1-CB 3.56Å; L242-D246 HydrophobicContact CG-CB 4.08Å; S243-D246 WeakPolarHBondContact OG-CB 2.88Å; S243-D246 PolarHBondContact OG-N 3.38Å; S243-D246 PolarHBondContact OG-OD2 3.43Å; S243-D246 VanDerWaalsContact OG-OD2 3.13Å; F244-D246 PolarHBondContact O-N 3.19Å; D246-G249 PolarHBondContact O-N 3.45Å; D246-L250 PolarHBondContact O-N 3.49Å |
| 247 | T | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 175.5 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | E90 L242 S243 F244 E245 G249 L250 N251 F272 Y285 | E90-T247 HydrophobicContact CB-CG2 3.78Å; L242-T247 VanDerWaalsContact CD2-OG1 3.26Å; L242-T247 WeakPolarHBondContact CD2-OG1 3.47Å; L242-T247 WeakPolarHBondContact CG-OG1 3.43Å; S243-T247 PolarHBondContact O-N 2.73Å; S243-T247 VanDerWaalsContact O-N 3.12Å; S243-T247 PolarHBondContact O-OG1 3.28Å; F244-T247 WeakPolarHBondContact O-CB 3.24Å; F244-T247 PolarHBondContact O-N 3.47Å; E245-T247 VanDerWaalsContact C-N 3.27Å; E245-T247 PolarHBondContact O-N 3.27Å; T247-G249 PolarHBondContact O-N 2.76Å; T247-L250 PolarHBondContact O-N 3.1Å; T247-N251 VanDerWaalsContact CG2-ND2 3.31Å; T247-N251 WeakPolarHBondContact CG2-ND2 3.29Å; T247-N251 WeakPolarHBondContact O-CB 3.37Å; T247-N251 PolarHBondContact O-N 3.01Å; T247-N251 PolarHBondContact O-ND2 2.59Å; T247-F272 HydrophobicContact CG2-CE2 4.11Å; T247-F272 HydrophobicContact CG2-CZ 3.6Å; T247-Y285 HydrophobicContact CG2-CE2 4.03Å; T247-Y285 PolarHBondContact OG1-OH 3.41Å |
| 248 | V | 92.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.7 | -44.6 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | R200 F244 E245 R252 F272 | R200-V248 HydrophobicContact CG-CB 4.37Å; R200-V248 HydrophobicContact CG-CG1 3.88Å; F244-V248 HydrophobicContact CD1-CG2 4.05Å; F244-V248 HydrophobicContact CD2-CG2 4.49Å; F244-V248 HydrophobicContact CE1-CG2 3.77Å; F244-V248 HydrophobicContact CE2-CG2 4.28Å; F244-V248 HydrophobicContact CG-CG2 4.42Å; F244-V248 HydrophobicContact CZ-CG2 3.92Å; F244-V248 WeakPolarHBondContact O-CG2 3.39Å; F244-V248 PolarHBondContact O-N 3.43Å; E245-V248 WeakPolarHBondContact O-CA 3.01Å; E245-V248 WeakPolarHBondContact O-CB 3.02Å; E245-V248 PolarHBondContact O-N 2.71Å; V248-R252 VanDerWaalsContact CG1-NH1 3.31Å; V248-R252 WeakPolarHBondContact O-CB 2.98Å; V248-R252 VanDerWaalsContact O-CG 3.29Å; V248-R252 WeakPolarHBondContact O-CG 2.92Å; V248-R252 PolarHBondContact O-N 3.48Å; V248-F272 HydrophobicContact CB-CD1 4.48Å; V248-F272 HydrophobicContact CB-CG 4.32Å; V248-F272 HydrophobicContact CG1-CB 4.24Å; V248-F272 HydrophobicContact CG1-CG 4.47Å; V248-F272 HydrophobicContact CG2-CB 3.93Å; V248-F272 HydrophobicContact CG2-CD1 3.31Å; V248-F272 HydrophobicContact CG2-CD2 4.14Å; V248-F272 HydrophobicContact CG2-CE1 3.73Å; V248-F272 HydrophobicContact CG2-CG 3.53Å; V248-F272 HydrophobicContact CG2-CZ 4.35Å |
| 249 | G | 91.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.3 | -43.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L40 R200 E245 D246 T247 N251 R252 L253 | L40-G249 VanDerWaalsContact CD2-CA 3.44Å; L40-G249 VanDerWaalsContact CD2-O 3.24Å; L40-G249 WeakPolarHBondContact CD2-O 3.5Å; R200-G249 VanDerWaalsContact NH1-CA 3.26Å; E245-G249 PolarHBondContact O-N 2.03Å; D246-G249 PolarHBondContact O-N 3.45Å; T247-G249 PolarHBondContact O-N 2.76Å; G249-N251 VanDerWaalsContact C-N 3.35Å; G249-R252 PolarHBondContact O-N 2.84Å; G249-L253 WeakPolarHBondContact O-CB 3.16Å; G249-L253 PolarHBondContact O-N 3.24Å |
| 250 | L | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.2 | -73.1 | 175.4 | 0 | 0 | 0 | 111.2 | T91 I93 L154 L157 V159 L242 D246 T247 R252 L253 Y254 | T91-L250 HydrophobicContact CG2-CB 3.84Å; T91-L250 HydrophobicContact CG2-CD1 4.18Å; I93-L250 HydrophobicContact CD1-CB 4.39Å; I93-L250 HydrophobicContact CD1-CD2 4.24Å; L154-L250 HydrophobicContact CD1-CD1 4.26Å; L154-L250 HydrophobicContact CG-CD1 4.29Å; L157-L250 HydrophobicContact CB-CD2 4.06Å; L157-L250 HydrophobicContact CD1-CD1 4.43Å; L157-L250 HydrophobicContact CD1-CD2 4.1Å; V159-L250 HydrophobicContact CG2-CD2 3.7Å; V159-L250 HydrophobicContact CG2-CG 4.5Å; L242-L250 HydrophobicContact CD1-CD1 4.18Å; D246-L250 PolarHBondContact O-N 3.49Å; T247-L250 PolarHBondContact O-N 3.1Å; L250-R252 VanDerWaalsContact C-N 3.35Å; L250-R252 PolarHBondContact O-N 2.96Å; L250-L253 PolarHBondContact O-N 2.8Å; L250-Y254 WeakPolarHBondContact O-CB 3.36Å; L250-Y254 PolarHBondContact O-N 2.82Å |
| 251 | N | 93.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.4 | -81.5 | -84.4 | 0 | 0 | 0 | 112.1 | E90 T247 G249 K255 C256 F272 | E90-N251 PolarHBondContact O-ND2 2.65Å; T247-N251 VanDerWaalsContact CG2-ND2 3.31Å; T247-N251 WeakPolarHBondContact CG2-ND2 3.29Å; T247-N251 WeakPolarHBondContact O-CB 3.37Å; T247-N251 PolarHBondContact O-N 3.01Å; T247-N251 PolarHBondContact O-ND2 2.59Å; G249-N251 VanDerWaalsContact C-N 3.35Å; N251-K255 WeakPolarHBondContact O-CA 3.48Å; N251-K255 PolarHBondContact O-N 2.82Å; N251-C256 HydrophobicContact CB-CB 4.12Å; N251-C256 PolarHBondContact O-N 3.27Å; N251-C256 WeakPolarHBondContact OD1-CB 3.02Å; N251-F272 HydrophobicContact CB-CE2 4.41Å |
| 252 | R | 90.7 | Very high | 90.4 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68 | -42.6 | 174.9 | -73.8 | 175.6 | 178 | 159.1 | 4.4 | 112.2 | T198 N199 V248 G249 L250 Y254 K255 | T198-R252 WeakPolarHBondContact O-CD 3.41Å; T198-R252 PolarHBondContact O-NH1 2.93Å; N199-R252 PolarHBondContact O-NH1 3.19Å; V248-R252 VanDerWaalsContact CG1-NH1 3.31Å; V248-R252 WeakPolarHBondContact O-CB 2.98Å; V248-R252 VanDerWaalsContact O-CG 3.29Å; V248-R252 WeakPolarHBondContact O-CG 2.92Å; V248-R252 PolarHBondContact O-N 3.48Å; G249-R252 PolarHBondContact O-N 2.84Å; L250-R252 VanDerWaalsContact C-N 3.35Å; L250-R252 PolarHBondContact O-N 2.96Å; R252-Y254 VanDerWaalsContact C-N 3.35Å; R252-Y254 PolarHBondContact O-N 3.19Å; R252-K255 PolarHBondContact O-N 3.43Å |
| 253 | L | 91.7 | Very high | 89.3 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | -179.3 | -172.8 | 62.8 | 0 | 0 | 0 | 111.5 | L40 L47 I196 G249 L250 | L40-L253 HydrophobicContact CD2-CB 4.23Å; L40-L253 HydrophobicContact CD2-CD2 4.23Å; L47-L253 HydrophobicContact CD1-CD1 3.84Å; L47-L253 HydrophobicContact CD1-CG 3.8Å; L47-L253 WeakPolarHBondContact CD1-O 3.43Å; L47-L253 HydrophobicContact CD2-CD1 4Å; L47-L253 HydrophobicContact CD2-CD2 3.79Å; L47-L253 HydrophobicContact CD2-CG 3.8Å; L47-L253 HydrophobicContact CG-CG 4.47Å; I196-L253 HydrophobicContact CD1-CD1 3.99Å; I196-L253 HydrophobicContact CG2-CD1 4.4Å; G249-L253 WeakPolarHBondContact O-CB 3.16Å; G249-L253 PolarHBondContact O-N 3.24Å; L250-L253 PolarHBondContact O-N 2.8Å |
| 254 | Y | 93.2 | Very high | 87.9 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -95.9 | 3.1 | 179.8 | -77.1 | -93 | 0 | 0 | 0 | 114.4 | L47 W48 I93 L157 L250 R252 C256 | L47-Y254 HydrophobicContact CB-CE1 4.22Å; L47-Y254 HydrophobicContact CD2-CE2 4.39Å; W48-Y254 HydrophobicContact CB-CE1 4.18Å; W48-Y254 WeakPolarHBondContact O-CE1 3.32Å; I93-Y254 HydrophobicContact CD1-CD2 3.68Å; I93-Y254 HydrophobicContact CD1-CE2 3.83Å; I93-Y254 HydrophobicContact CD1-CG 4.08Å; I93-Y254 HydrophobicContact CG1-CD1 4.15Å; I93-Y254 HydrophobicContact CG1-CD2 4.07Å; I93-Y254 HydrophobicContact CG1-CE1 4.43Å; I93-Y254 HydrophobicContact CG1-CE2 4.38Å; I93-Y254 HydrophobicContact CG1-CG 3.93Å; L157-Y254 HydrophobicContact CB-CE2 4.21Å; L157-Y254 HydrophobicContact CD2-CE2 4.35Å; L157-Y254 WeakPolarHBondContact CD2-OH 3.43Å; L157-Y254 PolarHBondContact O-OH 3.48Å; L250-Y254 WeakPolarHBondContact O-CB 3.36Å; L250-Y254 PolarHBondContact O-N 2.82Å; R252-Y254 VanDerWaalsContact C-N 3.35Å; R252-Y254 PolarHBondContact O-N 3.19Å; Y254-C256 VanDerWaalsContact C-N 3.34Å; Y254-C256 PolarHBondContact O-N 2.89Å |
| 255 | K | 92.2 | Very high | 87.2 | Confident | 144 Ų | 144 | 58.5 Ų | 58.5 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 48.1 | 178.7 | -53.8 | -178.8 | -178.2 | -176.7 | 0 | 112.8 | N251 R252 D257 R258 | N251-K255 WeakPolarHBondContact O-CA 3.48Å; N251-K255 PolarHBondContact O-N 2.82Å; R252-K255 PolarHBondContact O-N 3.43Å; K255-D257 PolarHBondContact O-N 3.15Å; K255-R258 HydrophobicContact CB-CB 4.43Å; K255-R258 WeakPolarHBondContact O-CB 3.37Å; K255-R258 PolarHBondContact O-N 3.11Å |
| 256 | C | 93.8 | Very high | 86.8 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.2 | -174 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | C92 N251 Y254 R258 K275 | C92-C256 HydrophobicContact CB-CB 3.54Å; C92-C256 WeakPolarHBondContact CB-SG 3.02Å; C92-C256 PolarHBondContact N-SG 2.76Å; C92-C256 WeakPolarHBondContact SG-CA 2.95Å; C92-C256 WeakPolarHBondContact SG-CB 3.49Å; C92-C256 CovalentContact SG-SG 2.04Å; C92-C256 PolarHBondContact SG-SG 3.13Å; N251-C256 HydrophobicContact CB-CB 4.12Å; N251-C256 PolarHBondContact O-N 3.27Å; N251-C256 WeakPolarHBondContact OD1-CB 3.02Å; Y254-C256 VanDerWaalsContact C-N 3.34Å; Y254-C256 PolarHBondContact O-N 2.89Å; C256-R258 VanDerWaalsContact C-N 3.35Å; C256-K275 HydrophobicContact CB-CB 4.36Å |
| 257 | D | 90.8 | Very high | 86.6 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.3 | 174.1 | 64 | -18.5 | 0 | 0 | 0 | 113.5 | K255 S259 C260 Q263 R273 | K255-D257 PolarHBondContact O-N 3.15Å; D257-S259 PolarHBondContact O-N 3.47Å; D257-S259 VanDerWaalsContact O-N 3.14Å; D257-C260 VanDerWaalsContact O-CB 3.28Å; D257-C260 WeakPolarHBondContact O-CB 3.35Å; D257-C260 PolarHBondContact O-N 3.47Å; D257-Q263 PolarHBondContact O-NE2 2.94Å; D257-R273 HydrophobicContact CB-CG 4.32Å |
| 258 | R | 89.3 | Confident | 86.4 | Confident | 202 Ų | 202 | 71.8 Ų | 71.8 | 76% | 0.762 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32 | -176.7 | -178.2 | 179.5 | 180 | -172.2 | -0.3 | 113.4 | K255 C256 Q263 | K255-R258 HydrophobicContact CB-CB 4.43Å; K255-R258 WeakPolarHBondContact O-CB 3.37Å; K255-R258 PolarHBondContact O-N 3.11Å; C256-R258 VanDerWaalsContact C-N 3.35Å; R258-Q263 PolarHBondContact O-NE2 3.47Å |
| 259 | S | 87 | Confident | 86.1 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 70% | 0.699 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -1.2 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | D257 S261 | D257-S259 PolarHBondContact O-N 3.47Å; D257-S259 VanDerWaalsContact O-N 3.14Å; S259-S261 PolarHBondContact O-N 3.25Å |
| 260 | C | 90.1 | Very high | 85.8 | Confident | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.041 | 44% | 0.442 | C | S | . | . | trans | -75.4 | 117.4 | -178.2 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | D257 N262 Q263 C277 | D257-C260 VanDerWaalsContact O-CB 3.28Å; D257-C260 WeakPolarHBondContact O-CB 3.35Å; D257-C260 PolarHBondContact O-N 3.47Å; C260-N262 PolarHBondContact O-N 2.83Å; C260-Q263 HydrophobicContact CB-CG 4.48Å; C260-Q263 WeakPolarHBondContact O-CG 3.2Å; C260-C277 WeakPolarHBondContact CA-SG 3.36Å; C260-C277 HydrophobicContact CB-CB 3.76Å; C260-C277 WeakPolarHBondContact CB-SG 3.35Å; C260-C277 WeakPolarHBondContact SG-CA 3.39Å; C260-C277 WeakPolarHBondContact SG-CB 3.45Å; C260-C277 CovalentContact SG-SG 2.04Å; C260-C277 PolarHBondContact SG-SG 3.43Å | ||
| 261 | S | 80.5 | Confident | 85.6 | Confident | 118 Ų | 118 | 83.1 Ų | 83.1 | 83% | 0.825 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.1 | -179.3 | -45.3 | 0 | 0 | 0 | 0 | 113.7 | S259 Q263 | S259-S261 PolarHBondContact O-N 3.25Å; S261-Q263 PolarHBondContact O-N 3.03Å |
| 262 | N | 69.1 | Low | 85.5 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 38.2 | -173.8 | -70.5 | -5.5 | 0 | 0 | 0 | 113.6 | C260 S264 T265 R273 | C260-N262 PolarHBondContact O-N 2.83Å; N262-S264 PolarHBondContact O-N 3.18Å; N262-S264 VanDerWaalsContact O-N 3.11Å; N262-T265 PolarHBondContact O-N 3.16Å; N262-R273 VanDerWaalsContact O-CZ 3.26Å; N262-R273 PolarHBondContact O-NH1 3.39Å; N262-R273 PolarHBondContact O-NH2 2.87Å |
| 263 | Q | 70.2 | Confident | 85.5 | Confident | 108 Ų | 108 | 80.1 Ų | 80.1 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.3 | 174.9 | -77.5 | 172.5 | 17.2 | 0 | 0 | 113.2 | D257 R258 C260 S261 T265 | D257-Q263 PolarHBondContact O-NE2 2.94Å; R258-Q263 PolarHBondContact O-NE2 3.47Å; C260-Q263 HydrophobicContact CB-CG 4.48Å; C260-Q263 WeakPolarHBondContact O-CG 3.2Å; S261-Q263 PolarHBondContact O-N 3.03Å; Q263-T265 VanDerWaalsContact C-N 3.34Å; Q263-T265 PolarHBondContact O-N 3.23Å |
| 264 | S | 64.2 | Low | 85.5 | Confident | 112 Ų | 112 | 80 Ų | 80 | 78% | 0.783 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.1 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 114 | N262 L266 | N262-S264 PolarHBondContact O-N 3.18Å; N262-S264 VanDerWaalsContact O-N 3.11Å; S264-L266 PolarHBondContact O-N 2.89Å |
| 265 | T | 77.2 | Confident | 85.4 | Confident | 89 Ų | 89 | 81.4 Ų | 81.4 | 55% | 0.546 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -83.6 | 111.3 | 173.4 | -46.5 | 0 | 0 | 0 | 0 | 108.9 | N262 Q263 R273 | N262-T265 PolarHBondContact O-N 3.16Å; Q263-T265 VanDerWaalsContact C-N 3.34Å; Q263-T265 PolarHBondContact O-N 3.23Å; T265-R273 PolarHBondContact O-NH2 3.27Å |
| 266 | L | 84.3 | Confident | 85.4 | Confident | 156 Ų | 156 | 80.2 Ų | 80.2 | 82% | 0.817 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 137 | 174.6 | -165.7 | 66.7 | 0 | 0 | 0 | 109.1 | S264 | S264-L266 PolarHBondContact O-N 2.89Š|
| 267 | C | 88.9 | Confident | 85.4 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 16% | 0.162 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -68 | 149.8 | 168.8 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | E271 R273 C279 | C267-E271 HydrophobicContact CB-CB 3.8Å; C267-R273 PolarHBondContact SG-N 2.95Å; C267-C279 WeakPolarHBondContact CA-SG 3.33Å; C267-C279 HydrophobicContact CB-CB 3.71Å; C267-C279 WeakPolarHBondContact CB-SG 3.24Å; C267-C279 WeakPolarHBondContact SG-CB 3.27Å; C267-C279 CovalentContact SG-SG 2.04Å; C267-C279 PolarHBondContact SG-SG 2.91Å |
| 268 | E | 90.2 | Very high | 85.4 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 61% | 0.607 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 155.9 | 178.8 | -68.2 | -60.1 | 150 | 0 | 0 | 111.8 | G270 E271 | E268-G270 PolarHBondContact O-N 2.77Å; E268-G270 VanDerWaalsContact O-N 3.15Å; E268-E271 HydrophobicContact CB-CG 4.43Å; E268-E271 WeakPolarHBondContact O-CB 3.37Å; E268-E271 PolarHBondContact O-N 2.89Å |
| 269 | P | 85.8 | Confident | 85.6 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 83% | 0.825 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 122.4 | 175.4 | -26.5 | 35.2 | 0 | 0 | 0 | 112.2 | ||
| 270 | G | 85.1 | Confident | 85.8 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 58% | 0.577 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | -5.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E268 | E268-G270 PolarHBondContact O-N 2.77Å; E268-G270 VanDerWaalsContact O-N 3.15Å |
| 271 | E | 91.3 | Very high | 85.9 | Confident | 57 Ų | 57 | 73 Ų | 73 | 27% | 0.266 | 42% | 0.422 | S | S | . | . | trans | -98.8 | 157.3 | 171.5 | -65.7 | -172.8 | 161.6 | 0 | 0 | 112.1 | C267 E268 C279 I280 N281 | C267-E271 HydrophobicContact CB-CB 3.8Å; E268-E271 HydrophobicContact CB-CG 4.43Å; E268-E271 WeakPolarHBondContact O-CB 3.37Å; E268-E271 PolarHBondContact O-N 2.89Å; E271-C279 HydrophobicContact CB-CB 4.37Å; E271-C279 WeakPolarHBondContact OE2-CB 3.47Å; E271-I280 WeakPolarHBondContact CA-O 3.47Å; E271-N281 HydrophobicContact CG-CB 3.89Å | ||
| 272 | F | 89.3 | Confident | 86.3 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 4% | 0.044 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149 | 167.3 | 85.9 | -79.9 | 0 | 0 | 0 | 111 | F244 T247 V248 N251 N274 C279 I280 | F244-F272 HydrophobicContact CD2-CD1 4.13Å; F244-F272 AromaticContact CD2-CE1 3.74Å; F244-F272 HydrophobicContact CD2-CE1 3.74Å; F244-F272 HydrophobicContact CE1-CD1 4.49Å; F244-F272 AromaticContact CE2-CD1 3.29Å; F244-F272 HydrophobicContact CE2-CD1 3.29Å; F244-F272 AromaticContact CE2-CE1 3.31Å; F244-F272 HydrophobicContact CE2-CE1 3.31Å; F244-F272 AromaticContact CZ-CD1 3.52Å; F244-F272 HydrophobicContact CZ-CD1 3.52Å; F244-F272 HydrophobicContact CZ-CE1 4.01Å; T247-F272 HydrophobicContact CG2-CE2 4.11Å; T247-F272 HydrophobicContact CG2-CZ 3.6Å; V248-F272 HydrophobicContact CB-CD1 4.48Å; V248-F272 HydrophobicContact CB-CG 4.32Å; V248-F272 HydrophobicContact CG1-CB 4.24Å; V248-F272 HydrophobicContact CG1-CG 4.47Å; V248-F272 HydrophobicContact CG2-CB 3.93Å; V248-F272 HydrophobicContact CG2-CD1 3.31Å; V248-F272 HydrophobicContact CG2-CD2 4.14Å; V248-F272 HydrophobicContact CG2-CE1 3.73Å; V248-F272 HydrophobicContact CG2-CG 3.53Å; V248-F272 HydrophobicContact CG2-CZ 4.35Å; N251-F272 HydrophobicContact CB-CE2 4.41Å; F272-N274 HydrophobicContact CE2-CB 3.74Å; F272-N274 HydrophobicContact CZ-CB 4Å; F272-N274 PolarHBondContact O-N 3.05Å; F272-C279 CarbonylContact O-C 3.56Å; F272-C279 WeakPolarHBondContact O-CA 3.44Å; F272-I280 HydrophobicContact CD1-CG2 3.63Å; F272-I280 HydrophobicContact CE1-CG2 3.23Å; F272-I280 HydrophobicContact CE2-CG2 4.49Å; F272-I280 HydrophobicContact CG-CG2 4.45Å; F272-I280 HydrophobicContact CZ-CG2 3.7Å; F272-I280 PolarHBondContact N-O 2.77Å; F272-I280 PolarHBondContact O-N 2.82Å |
| 273 | R | 91.9 | Very high | 87.1 | Confident | 30 Ų | 30 | 67 Ų | 67 | 11% | 0.113 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 117.7 | 171.7 | -171.4 | 176.2 | -63.8 | -107.6 | 7.5 | 109.5 | D257 N262 T265 C267 C277 V278 | D257-R273 HydrophobicContact CB-CG 4.32Å; N262-R273 VanDerWaalsContact O-CZ 3.26Å; N262-R273 PolarHBondContact O-NH1 3.39Å; N262-R273 PolarHBondContact O-NH2 2.87Å; T265-R273 PolarHBondContact O-NH2 3.27Å; C267-R273 PolarHBondContact SG-N 2.95Å; R273-C277 PolarHBondContact NH1-O 2.89Å; R273-V278 WeakPolarHBondContact CA-O 3.44Å |
| 274 | N | 91.6 | Very high | 88 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.08 | 39% | 0.386 | C | S | . | . | trans | -81.5 | 177.9 | 177.9 | 71.3 | 12.2 | 0 | 0 | 0 | 112.4 | F272 H276 C277 V278 I280 | F272-N274 HydrophobicContact CE2-CB 3.74Å; F272-N274 HydrophobicContact CZ-CB 4Å; F272-N274 PolarHBondContact O-N 3.05Å; N274-H276 PolarHBondContact O-N 3.21Å; N274-H276 VanDerWaalsContact O-N 3.12Å; N274-H276 WeakPolarHBondContact OD1-CA 2.98Å; N274-H276 WeakPolarHBondContact OD1-CB 3.29Å; N274-H276 PolarHBondContact OD1-N 3.33Å; N274-C277 PolarHBondContact O-N 3.36Å; N274-C277 PolarHBondContact OD1-N 2.99Å; N274-V278 PolarHBondContact N-O 2.03Å; N274-V278 PolarHBondContact OD1-N 2.94Å; N274-V278 PolarHBondContact OD1-O 3.2Å; N274-I280 HydrophobicContact CB-CG2 4.38Å | ||
| 275 | K | 91.5 | Very high | 89.3 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 24% | 0.235 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.9 | 176.7 | 75.4 | 176.1 | -166.3 | 174.2 | 0 | 114.6 | E88 E89 T91 C256 | E88-K275 PolarHBondContact O-NZ 3.29Å; E89-K275 WeakPolarHBondContact O-CE 3.02Å; E89-K275 PolarHBondContact O-NZ 2.05Å; T91-K275 WeakPolarHBondContact O-CD 3.38Å; C256-K275 HydrophobicContact CB-CB 4.36Å |
| 276 | H | 91.7 | Very high | 89.8 | Confident | 119 Ų | 119 | 57.3 Ų | 57.3 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 9.5 | 177.3 | -53.5 | 110.4 | 0 | 0 | 0 | 111.9 | N274 V278 | N274-H276 PolarHBondContact O-N 3.21Å; N274-H276 VanDerWaalsContact O-N 3.12Å; N274-H276 WeakPolarHBondContact OD1-CA 2.98Å; N274-H276 WeakPolarHBondContact OD1-CB 3.29Å; N274-H276 PolarHBondContact OD1-N 3.33Å; H276-V278 HydrophobicContact CB-CG2 4.47Å; H276-V278 PolarHBondContact O-N 3.41Å |
| 277 | C | 92.7 | Very high | 89.9 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 64.4 | 23 | -179.2 | -53.6 | 0 | 0 | 0 | 0 | 115 | C260 R273 N274 | C260-C277 WeakPolarHBondContact CA-SG 3.36Å; C260-C277 HydrophobicContact CB-CB 3.76Å; C260-C277 WeakPolarHBondContact CB-SG 3.35Å; C260-C277 WeakPolarHBondContact SG-CA 3.39Å; C260-C277 WeakPolarHBondContact SG-CB 3.45Å; C260-C277 CovalentContact SG-SG 2.04Å; C260-C277 PolarHBondContact SG-SG 3.43Å; R273-C277 PolarHBondContact NH1-O 2.89Å; N274-C277 PolarHBondContact O-N 3.36Å; N274-C277 PolarHBondContact OD1-N 2.99Å |
| 278 | V | 91.9 | Very high | 89.8 | Confident | 74 Ų | 74 | 58 Ų | 58 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | trans | -104.4 | 133.1 | 178 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | R273 N274 H276 | R273-V278 WeakPolarHBondContact CA-O 3.44Å; N274-V278 PolarHBondContact N-O 2.03Å; N274-V278 PolarHBondContact OD1-N 2.94Å; N274-V278 PolarHBondContact OD1-O 3.2Å; H276-V278 HydrophobicContact CB-CG2 4.47Å; H276-V278 PolarHBondContact O-N 3.41Å | ||
| 279 | C | 93.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 25% | 0.25 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.9 | 170.1 | -62.4 | 0 | 0 | 0 | 0 | 109.7 | C267 E271 F272 | C267-C279 WeakPolarHBondContact CA-SG 3.33Å; C267-C279 HydrophobicContact CB-CB 3.71Å; C267-C279 WeakPolarHBondContact CB-SG 3.24Å; C267-C279 WeakPolarHBondContact SG-CB 3.27Å; C267-C279 CovalentContact SG-SG 2.04Å; C267-C279 PolarHBondContact SG-SG 2.91Å; E271-C279 HydrophobicContact CB-CB 4.37Å; E271-C279 WeakPolarHBondContact OE2-CB 3.47Å; F272-C279 CarbonylContact O-C 3.56Å; F272-C279 WeakPolarHBondContact O-CA 3.44Å |
| 280 | I | 92 | Very high | 89.9 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.6 | -177.7 | -170.1 | 170.9 | 0 | 0 | 0 | 110.2 | F244 E271 F272 N274 K284 Y285 | F244-I280 HydrophobicContact CE2-CG2 4.43Å; F244-I280 WeakPolarHBondContact CE2-O 3.38Å; E271-I280 WeakPolarHBondContact CA-O 3.47Å; F272-I280 HydrophobicContact CD1-CG2 3.63Å; F272-I280 HydrophobicContact CE1-CG2 3.23Å; F272-I280 HydrophobicContact CE2-CG2 4.49Å; F272-I280 HydrophobicContact CG-CG2 4.45Å; F272-I280 HydrophobicContact CZ-CG2 3.7Å; F272-I280 PolarHBondContact N-O 2.77Å; F272-I280 PolarHBondContact O-N 2.82Å; N274-I280 HydrophobicContact CB-CG2 4.38Å; I280-K284 HydrophobicContact CD1-CB 4.37Å; I280-K284 HydrophobicContact CD1-CD 4.43Å; I280-K284 HydrophobicContact CD1-CG 3.95Å; I280-K284 HydrophobicContact CG1-CB 3.89Å; I280-K284 HydrophobicContact CG1-CD 4.12Å; I280-K284 HydrophobicContact CG1-CG 3.86Å; I280-Y285 HydrophobicContact CD1-CD2 4.42Å |
| 281 | N | 91.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 52 Ų | 52 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | trans | -97.7 | 169.6 | 171.3 | 57.9 | 54.1 | 0 | 0 | 0 | 111.7 | E271 S283 K284 Y285 | E271-N281 HydrophobicContact CG-CB 3.89Å; N281-S283 VanDerWaalsContact C-N 3.31Å; N281-S283 PolarHBondContact O-N 3.31Å; N281-S283 PolarHBondContact OD1-N 3.36Å; N281-K284 PolarHBondContact O-N 3.34Å; N281-K284 WeakPolarHBondContact OD1-CB 3.03Å; N281-K284 PolarHBondContact OD1-N 2.92Å; N281-Y285 WeakPolarHBondContact O-CB 3.46Å; N281-Y285 PolarHBondContact O-N 3.26Å | ||
| 282 | A | 88.9 | Confident | 90.2 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 35% | 0.347 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.2 | -38.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F244 Y285 A286 | F244-A282 HydrophobicContact CB-CB 4.24Å; F244-A282 HydrophobicContact CD1-CB 3.79Å; F244-A282 HydrophobicContact CD2-CB 4.24Å; F244-A282 HydrophobicContact CE1-CB 4.13Å; F244-A282 HydrophobicContact CG-CB 3.84Å; F244-A282 HydrophobicContact CZ-CB 4.46Å; A282-Y285 PolarHBondContact O-N 2.86Å; A282-A286 WeakPolarHBondContact O-CB 3.33Å; A282-A286 PolarHBondContact O-N 2.87Å |
| 283 | S | 86.7 | Confident | 90.5 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.5 | -48.3 | -179.2 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | N281 Y285 A286 F287 | N281-S283 VanDerWaalsContact C-N 3.31Å; N281-S283 PolarHBondContact O-N 3.31Å; N281-S283 PolarHBondContact OD1-N 3.36Å; S283-Y285 PolarHBondContact O-N 2.98Å; S283-A286 PolarHBondContact O-N 2.7Å; S283-F287 WeakPolarHBondContact O-CB 3.38Å; S283-F287 PolarHBondContact O-N 3.44Å |
| 284 | K | 88.9 | Confident | 90.6 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.1 | 179.6 | 167.6 | 173.2 | 45.9 | 0 | 111.7 | I280 N281 A286 F287 D288 | I280-K284 HydrophobicContact CD1-CB 4.37Å; I280-K284 HydrophobicContact CD1-CD 4.43Å; I280-K284 HydrophobicContact CD1-CG 3.95Å; I280-K284 HydrophobicContact CG1-CB 3.89Å; I280-K284 HydrophobicContact CG1-CD 4.12Å; I280-K284 HydrophobicContact CG1-CG 3.86Å; N281-K284 PolarHBondContact O-N 3.34Å; N281-K284 WeakPolarHBondContact OD1-CB 3.03Å; N281-K284 PolarHBondContact OD1-N 2.92Å; K284-A286 VanDerWaalsContact C-N 3.35Å; K284-A286 PolarHBondContact O-N 3Å; K284-F287 PolarHBondContact O-N 2.74Å; K284-D288 WeakPolarHBondContact CE-OD2 3.24Å; K284-D288 WeakPolarHBondContact CG-OD2 3.4Å; K284-D288 IonicContact NZ-OD1 2.93Å; K284-D288 PolarHBondContact NZ-OD1 3.23Å; K284-D288 IonicContact NZ-OD2 3.57Å; K284-D288 PolarHBondContact NZ-OD2 3.02Å; K284-D288 WeakPolarHBondContact O-CB 3.07Å; K284-D288 VanDerWaalsContact O-CG 3.29Å; K284-D288 PolarHBondContact O-N 3.02Å |
| 285 | Y | 90.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.2 | 180 | -89.9 | 0 | 0 | 0 | 112.4 | E90 L242 S243 F244 T247 I280 N281 A282 S283 R289 F328 | E90-Y285 HydrophobicContact CG-CE2 4.28Å; E90-Y285 WeakPolarHBondContact OE2-CE2 3.19Å; L242-Y285 PolarHBondContact O-OH 2.91Å; S243-Y285 PolarHBondContact O-OH 3.33Å; F244-Y285 HydrophobicContact CB-CD1 3.73Å; F244-Y285 HydrophobicContact CB-CE1 4.14Å; F244-Y285 HydrophobicContact CB-CG 4.16Å; F244-Y285 HydrophobicContact CD2-CD1 4.23Å; F244-Y285 HydrophobicContact CD2-CD2 4.2Å; F244-Y285 AromaticContact CD2-CG 3.76Å; F244-Y285 HydrophobicContact CD2-CG 3.76Å; F244-Y285 HydrophobicContact CG-CG 4.47Å; T247-Y285 HydrophobicContact CG2-CE2 4.03Å; T247-Y285 PolarHBondContact OG1-OH 3.41Å; I280-Y285 HydrophobicContact CD1-CD2 4.42Å; N281-Y285 WeakPolarHBondContact O-CB 3.46Å; N281-Y285 PolarHBondContact O-N 3.26Å; A282-Y285 PolarHBondContact O-N 2.86Å; S283-Y285 PolarHBondContact O-N 2.98Å; Y285-R289 PolarHBondContact O-N 3.25Å; Y285-R289 PolarHBondContact OH-NE 2.04Å; Y285-R289 PolarHBondContact OH-NH2 3.38Å; Y285-F328 HydrophobicContact CE1-CE2 4.31Å |
| 286 | A | 87.5 | Confident | 90.9 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 7% | 0.066 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A282 S283 K284 R289 C290 F328 A330 | A282-A286 WeakPolarHBondContact O-CB 3.33Å; A282-A286 PolarHBondContact O-N 2.87Å; S283-A286 PolarHBondContact O-N 2.7Å; K284-A286 VanDerWaalsContact C-N 3.35Å; K284-A286 PolarHBondContact O-N 3Å; A286-R289 PolarHBondContact O-N 2.93Å; A286-C290 WeakPolarHBondContact O-CB 3.25Å; A286-C290 PolarHBondContact O-N 3.27Å; A286-C290 VanDerWaalsContact O-N 3.15Å; A286-F328 HydrophobicContact CB-CB 3.86Å; A286-A330 HydrophobicContact CB-CB 3.89Å |
| 287 | F | 86.3 | Confident | 91.1 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62 | -51.1 | 179.5 | -178.9 | -95.6 | 0 | 0 | 0 | 112.2 | S283 K284 R289 C290 | S283-F287 WeakPolarHBondContact O-CB 3.38Å; S283-F287 PolarHBondContact O-N 3.44Å; K284-F287 PolarHBondContact O-N 2.74Å; F287-R289 PolarHBondContact O-N 3.04Å; F287-R289 VanDerWaalsContact O-N 3.11Å; F287-C290 PolarHBondContact O-N 3.47Å; F287-C290 VanDerWaalsContact O-N 3.13Å |
| 288 | D | 87.8 | Confident | 91.1 | Very high | 64 Ų | 64 | 65.6 Ų | 65.6 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.7 | -24 | -175.7 | -69 | -16.6 | 0 | 0 | 0 | 112.7 | K284 | K284-D288 WeakPolarHBondContact CE-OD2 3.24Å; K284-D288 WeakPolarHBondContact CG-OD2 3.4Å; K284-D288 IonicContact NZ-OD1 2.93Å; K284-D288 PolarHBondContact NZ-OD1 3.23Å; K284-D288 IonicContact NZ-OD2 3.57Å; K284-D288 PolarHBondContact NZ-OD2 3.02Å; K284-D288 WeakPolarHBondContact O-CB 3.07Å; K284-D288 VanDerWaalsContact O-CG 3.29Å; K284-D288 PolarHBondContact O-N 3.02Å |
| 289 | R | 89.8 | Confident | 91.3 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -100 | -7.5 | -179 | -69 | 169.5 | 64.4 | 90.9 | -18.7 | 114 | E90 L242 Y285 A286 F287 K291 | E90-R289 WeakPolarHBondContact OE1-CD 3.22Å; E90-R289 IonicContact OE1-CZ 3.28Å; E90-R289 IonicContact OE1-NE 3.29Å; E90-R289 IonicContact OE1-NH1 2.89Å; E90-R289 PolarHBondContact OE1-NH1 3.44Å; L242-R289 PolarHBondContact O-NH2 3.23Å; Y285-R289 PolarHBondContact O-N 3.25Å; Y285-R289 PolarHBondContact OH-NE 2.04Å; Y285-R289 PolarHBondContact OH-NH2 3.38Å; A286-R289 PolarHBondContact O-N 2.93Å; F287-R289 PolarHBondContact O-N 3.04Å; F287-R289 VanDerWaalsContact O-N 3.11Å; R289-K291 PolarHBondContact O-N 3.17Å |
| 290 | C | 88 | Confident | 91.5 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | trans | -82.1 | 67 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | A286 F287 C327 | A286-C290 WeakPolarHBondContact O-CB 3.25Å; A286-C290 PolarHBondContact O-N 3.27Å; A286-C290 VanDerWaalsContact O-N 3.15Å; F287-C290 PolarHBondContact O-N 3.47Å; F287-C290 VanDerWaalsContact O-N 3.13Å; C290-C327 WeakPolarHBondContact CA-SG 3.4Å; C290-C327 HydrophobicContact CB-CB 3.62Å; C290-C327 WeakPolarHBondContact CB-SG 3.44Å; C290-C327 WeakPolarHBondContact SG-CB 3.38Å; C290-C327 CovalentContact SG-SG 2.02Å; C290-C327 PolarHBondContact SG-SG 3.23Å | ||
| 291 | K | 90.1 | Very high | 91.6 | Very high | 136 Ų | 136 | 65.5 Ų | 65.5 | 59% | 0.591 | 35% | 0.347 | S | S | * | . | trans | -138.2 | 157.3 | -179.7 | 64.7 | -172.1 | 179 | -168.9 | 0 | 111.8 | R289 | R289-K291 PolarHBondContact O-N 3.17Š| ||
| 292 | D | 92.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 151.8 | 168.2 | -53.3 | -51.3 | 0 | 0 | 0 | 109.1 | V294 C300 F319 C320 R322 T323 | D292-V294 PolarHBondContact O-N 3.13Å; D292-C300 HydrophobicContact CB-CB 4.37Å; D292-F319 CarbonylContact C-O 3.21Å; D292-C320 WeakPolarHBondContact OD1-CA 3.35Å; D292-R322 PolarHBondContact OD1-N 2.9Å; D292-R322 VanDerWaalsContact OD1-N 3.16Å; D292-R322 IonicContact OD2-CZ 3.26Å; D292-R322 IonicContact OD2-NE 2.91Å; D292-R322 PolarHBondContact OD2-NE 3.25Å; D292-R322 VanDerWaalsContact OD2-NE 3.13Å; D292-R322 IonicContact OD2-NH2 3.11Å; D292-R322 PolarHBondContact OD2-NH2 3.41Å; D292-R322 VanDerWaalsContact OD2-NH2 3.11Å; D292-T323 WeakPolarHBondContact OD1-CB 3.46Å; D292-T323 PolarHBondContact OD1-N 3.17Å; D292-T323 PolarHBondContact OD1-OG1 2.61Å; D292-T323 PolarHBondContact OD2-OG1 3.01Å |
| 293 | D | 94.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -67.7 | 125.4 | 176.2 | -160.7 | -49.5 | 0 | 0 | 0 | 109 | K82 N295 E296 F319 | K82-D293 IonicContact NZ-OD2 3.14Å; K82-D293 PolarHBondContact NZ-OD2 3.49Å; D293-N295 PolarHBondContact O-N 2.98Å; D293-N295 VanDerWaalsContact O-N 3.15Å; D293-N295 PolarHBondContact OD1-N 3.22Å; D293-N295 PolarHBondContact OD1-ND2 3.24Å; D293-E296 HydrophobicContact CB-CB 4.17Å; D293-E296 HydrophobicContact CB-CG 4.07Å; D293-E296 PolarHBondContact O-N 2.93Å; D293-F319 HydrophobicContact CB-CB 4.35Å; D293-F319 HydrophobicContact CB-CD1 4Å; D293-F319 WeakPolarHBondContact CB-O 3.29Å; D293-F319 PolarHBondContact N-O 2.84Å | ||
| 294 | V | 94.2 | Very high | 91.9 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 70% | 0.697 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -60.1 | -29.4 | -175.6 | -65.1 | 0 | 0 | 0 | 0 | 112 | D292 E296 T297 | D292-V294 PolarHBondContact O-N 3.13Å; V294-E296 VanDerWaalsContact C-N 3.28Å; V294-E296 PolarHBondContact O-N 3.34Å; V294-T297 PolarHBondContact O-OG1 3.28Å |
| 295 | N | 95.1 | Very high | 92 | Very high | 135 Ų | 135 | 61.7 Ų | 61.7 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -77.6 | -15.6 | 179.2 | -58.1 | -53.2 | 0 | 0 | 0 | 112.8 | D293 | D293-N295 PolarHBondContact O-N 2.98Å; D293-N295 VanDerWaalsContact O-N 3.15Å; D293-N295 PolarHBondContact OD1-N 3.22Å; D293-N295 PolarHBondContact OD1-ND2 3.24Å |
| 296 | E | 95.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 66.8 Ų | 66.8 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -107.8 | 15.9 | -175.9 | -60.3 | -60 | 146.7 | 0 | 0 | 112.4 | D293 V294 K298 Y299 C300 Y315 F319 | D293-E296 HydrophobicContact CB-CB 4.17Å; D293-E296 HydrophobicContact CB-CG 4.07Å; D293-E296 PolarHBondContact O-N 2.93Å; V294-E296 VanDerWaalsContact C-N 3.28Å; V294-E296 PolarHBondContact O-N 3.34Å; E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 3.34Å; E296-K298 VanDerWaalsContact O-N 3.16Å; E296-Y299 CarbonylContact O-C 3.48Å; E296-Y299 WeakPolarHBondContact O-CA 3.46Å; E296-Y299 WeakPolarHBondContact O-CB 3.33Å; E296-Y299 PolarHBondContact O-N 3.11Å; E296-C300 PolarHBondContact O-N 2.96Å; E296-C300 PolarHBondContact O-SG 2.84Å; E296-C300 VanDerWaalsContact O-SG 3.37Å; E296-Y315 PolarHBondContact OE1-OH 3.16Å; E296-Y315 PolarHBondContact OE2-OH 2.99Å; E296-F319 HydrophobicContact CB-CB 4.43Å; E296-F319 HydrophobicContact CG-CB 4.06Å; E296-F319 HydrophobicContact CG-CD1 3.94Å; E296-F319 HydrophobicContact CG-CG 4.21Å |
| 297 | T | 93.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 66.7 Ų | 66.7 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -49.8 | -46.5 | -174.7 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | V294 C300 S301 | V294-T297 PolarHBondContact O-OG1 3.28Å; T297-C300 PolarHBondContact O-N 2.76Å; T297-S301 PolarHBondContact O-N 2.84Å |
| 298 | K | 94.6 | Very high | 92 | Very high | 173 Ų | 173 | 61.9 Ų | 61.9 | 75% | 0.752 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.7 | -33.6 | 177.5 | -177.8 | 179 | 178.7 | -179.2 | 0 | 112.7 | E296 S301 | E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 3.34Å; E296-K298 VanDerWaalsContact O-N 3.16Å; K298-S301 PolarHBondContact O-OG 3.31Å |
| 299 | Y | 96.2 | Very high | 92.1 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 14% | 0.137 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.7 | -46.6 | 176.5 | 177.4 | -83.7 | 0 | 0 | 0 | 110.2 | E296 D302 A303 K308 E312 Y315 A316 C320 | E296-Y299 CarbonylContact O-C 3.48Å; E296-Y299 WeakPolarHBondContact O-CA 3.46Å; E296-Y299 WeakPolarHBondContact O-CB 3.33Å; E296-Y299 PolarHBondContact O-N 3.11Å; Y299-D302 PolarHBondContact O-N 2.8Å; Y299-A303 PolarHBondContact O-N 3.27Å; Y299-K308 HydrophobicContact CD2-CD 4.32Å; Y299-K308 HydrophobicContact CE1-CD 4.25Å; Y299-K308 HydrophobicContact CE2-CD 3.75Å; Y299-E312 VanDerWaalsContact CE2-OE2 3.28Å; Y299-E312 WeakPolarHBondContact CE2-OE2 3.23Å; Y299-E312 WeakPolarHBondContact OH-CB 3.44Å; Y299-E312 PolarHBondContact OH-OE2 3.13Å; Y299-Y315 HydrophobicContact CD1-CD1 4.08Å; Y299-Y315 AromaticContact CD1-CE1 3.84Å; Y299-Y315 HydrophobicContact CD1-CE1 3.84Å; Y299-Y315 HydrophobicContact CD2-CD1 4.4Å; Y299-Y315 AromaticContact CD2-CE1 3.99Å; Y299-Y315 HydrophobicContact CD2-CE1 3.99Å; Y299-Y315 AromaticContact CE1-CD1 3.52Å; Y299-Y315 HydrophobicContact CE1-CD1 3.52Å; Y299-Y315 AromaticContact CE1-CE1 3.77Å; Y299-Y315 HydrophobicContact CE1-CE1 3.77Å; Y299-Y315 AromaticContact CE2-CD1 3.85Å; Y299-Y315 HydrophobicContact CE2-CD1 3.85Å; Y299-Y315 AromaticContact CE2-CE1 3.89Å; Y299-Y315 HydrophobicContact CE2-CE1 3.89Å; Y299-Y315 AromaticContact CG-CE1 3.96Å; Y299-Y315 HydrophobicContact CG-CE1 3.96Å; Y299-Y315 AromaticContact CZ-CD1 3.36Å; Y299-Y315 AromaticContact CZ-CE1 3.78Å; Y299-A316 HydrophobicContact CE1-CB 4.03Å; Y299-C320 VanDerWaalsContact CD1-SG 3.57Å |
| 300 | C | 95.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | D292 E296 T297 D302 A303 C320 T323 | D292-C300 HydrophobicContact CB-CB 4.37Å; E296-C300 PolarHBondContact O-N 2.96Å; E296-C300 PolarHBondContact O-SG 2.84Å; E296-C300 VanDerWaalsContact O-SG 3.37Å; T297-C300 PolarHBondContact O-N 2.76Å; C300-D302 PolarHBondContact O-N 2.66Å; C300-D302 VanDerWaalsContact O-N 3.16Å; C300-A303 VanDerWaalsContact O-CB 3.31Å; C300-A303 WeakPolarHBondContact O-CB 3.48Å; C300-A303 PolarHBondContact O-N 2.86Å; C300-C320 WeakPolarHBondContact CA-SG 3.38Å; C300-C320 HydrophobicContact CB-CB 3.77Å; C300-C320 WeakPolarHBondContact CB-SG 3.26Å; C300-C320 VanDerWaalsContact SG-CA 3.57Å; C300-C320 WeakPolarHBondContact SG-CB 3.42Å; C300-C320 CovalentContact SG-SG 2.04Å; C300-C320 PolarHBondContact SG-SG 3.27Å; C300-T323 WeakPolarHBondContact O-CG2 3.33Å |
| 301 | S | 94.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 57% | 0.566 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.6 | -32.5 | 177.3 | 65.8 | 0 | 0 | 0 | 0 | 113.5 | T297 K298 | T297-S301 PolarHBondContact O-N 2.84Å; K298-S301 PolarHBondContact O-OG 3.31Å |
| 302 | D | 93.7 | Very high | 91.6 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.9 | 179.5 | -70.5 | 5.3 | 0 | 0 | 0 | 112.7 | Y299 C300 V304 S305 K306 | Y299-D302 PolarHBondContact O-N 2.8Å; C300-D302 PolarHBondContact O-N 2.66Å; C300-D302 VanDerWaalsContact O-N 3.16Å; D302-V304 VanDerWaalsContact C-N 3.29Å; D302-V304 PolarHBondContact O-N 3.03Å; D302-S305 PolarHBondContact O-N 3.32Å; D302-S305 PolarHBondContact O-OG 2.78Å; D302-K306 HydrophobicContact CB-CD 4Å; D302-K306 HydrophobicContact CB-CG 4.35Å; D302-K306 WeakPolarHBondContact O-CB 3.21Å; D302-K306 PolarHBondContact O-N 3.08Å; D302-K306 WeakPolarHBondContact OD2-CE 3.04Å; D302-K306 IonicContact OD2-NZ 3.89Å; D302-K306 PolarHBondContact OD2-NZ 2.72Å |
| 303 | A | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -31.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y299 C300 N307 K308 C309 T323 | Y299-A303 PolarHBondContact O-N 3.27Å; C300-A303 VanDerWaalsContact O-CB 3.31Å; C300-A303 WeakPolarHBondContact O-CB 3.48Å; C300-A303 PolarHBondContact O-N 2.86Å; A303-N307 CarbonylContact O-C 3.56Å; A303-K308 HydrophobicContact CB-CB 4.15Å; A303-K308 PolarHBondContact O-N 3.02Å; A303-C309 PolarHBondContact O-N 3.02Å; A303-T323 HydrophobicContact CB-CG2 4.24Å |
| 304 | V | 89.2 | Confident | 91.3 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -53.8 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | D302 K306 N307 T323 P339 | D302-V304 VanDerWaalsContact C-N 3.29Å; D302-V304 PolarHBondContact O-N 3.03Å; V304-K306 PolarHBondContact O-N 3.03Å; V304-N307 PolarHBondContact O-N 2.91Å; V304-N307 VanDerWaalsContact O-N 3.11Å; V304-T323 HydrophobicContact CG2-CG2 3.71Å; V304-P339 HydrophobicContact CB-CB 4.49Å; V304-P339 HydrophobicContact CG1-CB 3.76Å; V304-P339 HydrophobicContact CG1-CG 4.45Å; V304-P339 HydrophobicContact CG2-CB 4.05Å; V304-P339 HydrophobicContact CG2-CG 4.08Å |
| 305 | S | 90 | Very high | 91.3 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.6 | -175.2 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | D302 Q344 | D302-S305 PolarHBondContact O-N 3.32Å; D302-S305 PolarHBondContact O-OG 2.78Å; S305-Q344 PolarHBondContact O-NE2 3.49Å |
| 306 | K | 88.4 | Confident | 91.2 | Very high | 112 Ų | 112 | 48.4 Ų | 48.4 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 16.9 | 177.1 | -59.6 | -175.7 | -179.1 | 162.4 | 0 | 113.6 | D302 V304 K308 | D302-K306 HydrophobicContact CB-CD 4Å; D302-K306 HydrophobicContact CB-CG 4.35Å; D302-K306 WeakPolarHBondContact O-CB 3.21Å; D302-K306 PolarHBondContact O-N 3.08Å; D302-K306 WeakPolarHBondContact OD2-CE 3.04Å; D302-K306 IonicContact OD2-NZ 3.89Å; D302-K306 PolarHBondContact OD2-NZ 2.72Å; V304-K306 PolarHBondContact O-N 3.03Å; K306-K308 HydrophobicContact CB-CG 4.08Å; K306-K308 PolarHBondContact O-N 3.38Å |
| 307 | N | 86.8 | Confident | 91.1 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 15.6 | -179.2 | -70.4 | -33.1 | 0 | 0 | 0 | 116.4 | A303 V304 C309 Y310 D311 L342 | A303-N307 CarbonylContact O-C 3.56Å; V304-N307 PolarHBondContact O-N 2.91Å; V304-N307 VanDerWaalsContact O-N 3.11Å; N307-C309 PolarHBondContact O-N 2.69Å; N307-C309 VanDerWaalsContact O-N 3.15Å; N307-Y310 PolarHBondContact O-N 3.39Å; N307-D311 WeakPolarHBondContact CB-OD2 3.44Å; N307-D311 PolarHBondContact O-N 3.42Å; N307-L342 PolarHBondContact ND2-O 3.28Å; N307-L342 PolarHBondContact OD1-N 3.08Å |
| 308 | K | 90.5 | Very high | 91 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.1 | -29.3 | -176.1 | -58.4 | 179 | 165.5 | -178.8 | 0 | 113.3 | Y299 A303 K306 Y310 E312 A313 A316 | Y299-K308 HydrophobicContact CD2-CD 4.32Å; Y299-K308 HydrophobicContact CE1-CD 4.25Å; Y299-K308 HydrophobicContact CE2-CD 3.75Å; A303-K308 HydrophobicContact CB-CB 4.15Å; A303-K308 PolarHBondContact O-N 3.02Å; K306-K308 HydrophobicContact CB-CG 4.08Å; K306-K308 PolarHBondContact O-N 3.38Å; K308-Y310 PolarHBondContact O-N 2.95Å; K308-Y310 VanDerWaalsContact O-N 3.07Å; K308-E312 HydrophobicContact CB-CB 4.24Å; K308-E312 CarbonylContact O-C 3.55Å; K308-E312 WeakPolarHBondContact O-CA 3.03Å; K308-E312 WeakPolarHBondContact O-CB 3.5Å; K308-E312 PolarHBondContact O-N 3.41Å; K308-A313 PolarHBondContact O-N 3.42Å; K308-A316 HydrophobicContact CB-CB 4.38Å; K308-A316 WeakPolarHBondContact O-CB 3.26Å |
| 309 | C | 90.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.8 | -20 | 172.9 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | A303 N307 C324 P339 | A303-C309 PolarHBondContact O-N 3.02Å; N307-C309 PolarHBondContact O-N 2.69Å; N307-C309 VanDerWaalsContact O-N 3.15Å; C309-C324 VanDerWaalsContact CA-SG 3.52Å; C309-C324 HydrophobicContact CB-CB 3.7Å; C309-C324 WeakPolarHBondContact CB-SG 3.49Å; C309-C324 WeakPolarHBondContact SG-CA 3.11Å; C309-C324 WeakPolarHBondContact SG-CB 3.3Å; C309-C324 CovalentContact SG-SG 2.05Å; C309-C324 PolarHBondContact SG-SG 2.88Å; C309-P339 HydrophobicContact CB-CG 4.27Å |
| 310 | Y | 85.6 | Confident | 91 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -112.2 | -50.3 | 177.9 | -63.9 | -76.3 | 0 | 0 | 0 | 111.9 | N307 K308 P338 P339 K341 | N307-Y310 PolarHBondContact O-N 3.39Å; K308-Y310 PolarHBondContact O-N 2.95Å; K308-Y310 VanDerWaalsContact O-N 3.07Å; Y310-P338 WeakPolarHBondContact OH-CB 3.49Å; Y310-P339 HydrophobicContact CE2-CG 4.32Å; Y310-P339 WeakPolarHBondContact CE2-O 3.49Å; Y310-P339 VanDerWaalsContact CZ-O 3.22Å; Y310-P339 PolarHBondContact OH-O 3.27Å; Y310-K341 HydrophobicContact CD2-CB 3.7Å; Y310-K341 HydrophobicContact CD2-CD 4.32Å; Y310-K341 HydrophobicContact CD2-CG 3.92Å; Y310-K341 HydrophobicContact CE2-CB 3.79Å; Y310-K341 HydrophobicContact CG-CB 4.17Å; Y310-K341 HydrophobicContact CG-CD 4.03Å; Y310-K341 HydrophobicContact CG-CG 4.16Å |
| 311 | D | 82.3 | Confident | 90.8 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 31% | 0.305 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -77.8 | -27.4 | -172.6 | -63.6 | -37.7 | 0 | 0 | 0 | 112.6 | N307 K341 R412 | N307-D311 WeakPolarHBondContact CB-OD2 3.44Å; N307-D311 PolarHBondContact O-N 3.42Å; D311-K341 IonicContact OD1-NZ 2.65Å; D311-R412 IonicContact OD1-CZ 2.73Å; D311-R412 IonicContact OD1-NH2 3.55Å; D311-R412 PolarHBondContact OD1-NH2 3.38Å |
| 312 | E | 88.9 | Confident | 90.5 | Very high | 89 Ų | 89 | 35.9 Ų | 35.9 | 42% | 0.416 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 29.1 | 176 | -61 | 179.3 | -145.5 | 0 | 0 | 111.4 | Y299 K308 K314 Y315 A316 | Y299-E312 VanDerWaalsContact CE2-OE2 3.28Å; Y299-E312 WeakPolarHBondContact CE2-OE2 3.23Å; Y299-E312 WeakPolarHBondContact OH-CB 3.44Å; Y299-E312 PolarHBondContact OH-OE2 3.13Å; K308-E312 HydrophobicContact CB-CB 4.24Å; K308-E312 CarbonylContact O-C 3.55Å; K308-E312 WeakPolarHBondContact O-CA 3.03Å; K308-E312 WeakPolarHBondContact O-CB 3.5Å; K308-E312 PolarHBondContact O-N 3.41Å; E312-K314 PolarHBondContact O-N 3.45Å; E312-Y315 PolarHBondContact O-N 2.02Å; E312-A316 PolarHBondContact O-N 2.91Å |
| 313 | A | 89.4 | Confident | 90.4 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 20% | 0.198 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -49.5 | -36.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | K308 Y315 A316 I317 | K308-A313 PolarHBondContact O-N 3.42Å; A313-Y315 PolarHBondContact O-N 3.04Å; A313-A316 PolarHBondContact O-N 3.31Å; A313-I317 HydrophobicContact CB-CD1 3.85Å; A313-I317 HydrophobicContact CB-CG1 4.22Å; A313-I317 VanDerWaalsContact O-CB 3.25Å; A313-I317 WeakPolarHBondContact O-CB 3.39Å; A313-I317 WeakPolarHBondContact O-CG1 3.43Å; A313-I317 PolarHBondContact O-N 2.78Å |
| 314 | K | 90.9 | Very high | 90.4 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.6 | -32.8 | 176.7 | 179.6 | 175.1 | 172.4 | -178.2 | 0 | 113.3 | E67 D76 L79 R144 T145 E312 P318 | E67-K314 WeakPolarHBondContact OE1-CD 3.25Å; E67-K314 IonicContact OE1-NZ 3.3Å; E67-K314 PolarHBondContact OE1-NZ 3.09Å; D76-K314 IonicContact OD1-NZ 3.73Å; D76-K314 PolarHBondContact OD1-NZ 3.22Å; L79-K314 HydrophobicContact CD1-CD 3.92Å; L79-K314 HydrophobicContact CD1-CG 3.48Å; L79-K314 VanDerWaalsContact CD1-CG 3.48Å; L79-K314 WeakPolarHBondContact CD2-O 3.21Å; R144-K314 WeakPolarHBondContact O-CE 3.5Å; T145-K314 HydrophobicContact CG2-CG 4.3Å; E312-K314 PolarHBondContact O-N 3.45Å; K314-P318 WeakPolarHBondContact O-CD 3.14Å; K314-P318 VanDerWaalsContact O-CG 3.32Å; K314-P318 WeakPolarHBondContact O-CG 3.45Å |
| 315 | Y | 94.4 | Very high | 90.2 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 17% | 0.169 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -98.9 | -50.2 | 173.3 | -172.1 | -87.8 | 0 | 0 | 0 | 111.4 | L75 L78 E296 Y299 E312 A313 I317 P318 F319 | L75-Y315 HydrophobicContact CD1-CD2 3.6Å; L75-Y315 HydrophobicContact CD1-CE2 4.36Å; L78-Y315 HydrophobicContact CD2-CD2 3.97Å; L78-Y315 HydrophobicContact CD2-CE2 3.58Å; E296-Y315 PolarHBondContact OE1-OH 3.16Å; E296-Y315 PolarHBondContact OE2-OH 2.99Å; Y299-Y315 HydrophobicContact CD1-CD1 4.08Å; Y299-Y315 AromaticContact CD1-CE1 3.84Å; Y299-Y315 HydrophobicContact CD1-CE1 3.84Å; Y299-Y315 HydrophobicContact CD2-CD1 4.4Å; Y299-Y315 AromaticContact CD2-CE1 3.99Å; Y299-Y315 HydrophobicContact CD2-CE1 3.99Å; Y299-Y315 AromaticContact CE1-CD1 3.52Å; Y299-Y315 HydrophobicContact CE1-CD1 3.52Å; Y299-Y315 AromaticContact CE1-CE1 3.77Å; Y299-Y315 HydrophobicContact CE1-CE1 3.77Å; Y299-Y315 AromaticContact CE2-CD1 3.85Å; Y299-Y315 HydrophobicContact CE2-CD1 3.85Å; Y299-Y315 AromaticContact CE2-CE1 3.89Å; Y299-Y315 HydrophobicContact CE2-CE1 3.89Å; Y299-Y315 AromaticContact CG-CE1 3.96Å; Y299-Y315 HydrophobicContact CG-CE1 3.96Å; Y299-Y315 AromaticContact CZ-CD1 3.36Å; Y299-Y315 AromaticContact CZ-CE1 3.78Å; E312-Y315 PolarHBondContact O-N 2.02Å; A313-Y315 PolarHBondContact O-N 3.04Å; Y315-I317 VanDerWaalsContact C-N 3.33Å; Y315-I317 PolarHBondContact O-N 3.36Å; Y315-P318 WeakPolarHBondContact O-CD 3.28Å; Y315-P318 WeakPolarHBondContact O-CG 3.29Å; Y315-F319 HydrophobicContact CD1-CD2 4.14Å; Y315-F319 AromaticContact CD2-CD2 3.93Å; Y315-F319 HydrophobicContact CD2-CD2 3.93Å; Y315-F319 AromaticContact CD2-CE2 3.93Å; Y315-F319 HydrophobicContact CD2-CE2 3.93Å; Y315-F319 HydrophobicContact CE1-CB 4.49Å; Y315-F319 HydrophobicContact CE1-CD2 4.17Å; Y315-F319 HydrophobicContact CE1-CG 4.45Å; Y315-F319 AromaticContact CE2-CD2 3.99Å; Y315-F319 HydrophobicContact CE2-CD2 3.99Å; Y315-F319 AromaticContact CE2-CE2 3.92Å; Y315-F319 HydrophobicContact CE2-CE2 3.92Å; Y315-F319 HydrophobicContact CG-CD2 4.05Å; Y315-F319 HydrophobicContact CG-CE2 4.47Å; Y315-F319 VanDerWaalsContact O-CD2 3.25Å; Y315-F319 WeakPolarHBondContact O-CD2 3.28Å; Y315-F319 PolarHBondContact O-N 3.2Å |
| 316 | A | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y299 K308 E312 A313 C320 | Y299-A316 HydrophobicContact CE1-CB 4.03Å; K308-A316 HydrophobicContact CB-CB 4.38Å; K308-A316 WeakPolarHBondContact O-CB 3.26Å; E312-A316 PolarHBondContact O-N 2.91Å; A313-A316 PolarHBondContact O-N 3.31Å; A316-C320 VanDerWaalsContact O-CA 3.3Å; A316-C320 WeakPolarHBondContact O-CA 3.05Å; A316-C320 WeakPolarHBondContact O-CB 3.17Å; A316-C320 PolarHBondContact O-N 3.25Å |
| 317 | I | 91.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.036 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -56.9 | -179.4 | -65.8 | 178 | 0 | 0 | 0 | 111.9 | E239 A313 Y315 F319 R321 R326 | E239-I317 HydrophobicContact CB-CD1 3.99Å; E239-I317 VanDerWaalsContact CD-CD1 3.45Å; E239-I317 HydrophobicContact CG-CD1 3.52Å; E239-I317 WeakPolarHBondContact OE1-CD1 3.34Å; A313-I317 HydrophobicContact CB-CD1 3.85Å; A313-I317 HydrophobicContact CB-CG1 4.22Å; A313-I317 VanDerWaalsContact O-CB 3.25Å; A313-I317 WeakPolarHBondContact O-CB 3.39Å; A313-I317 WeakPolarHBondContact O-CG1 3.43Å; A313-I317 PolarHBondContact O-N 2.78Å; Y315-I317 VanDerWaalsContact C-N 3.33Å; Y315-I317 PolarHBondContact O-N 3.36Å; I317-F319 VanDerWaalsContact C-N 3.25Å; I317-F319 PolarHBondContact O-N 2.7Å; I317-R321 WeakPolarHBondContact O-CG 2.96Å; I317-R321 PolarHBondContact O-N 2.66Å; I317-R326 HydrophobicContact CD1-CG 4.35Å; I317-R326 HydrophobicContact CG1-CG 4.12Å; I317-R326 HydrophobicContact CG2-CB 4.14Å; I317-R326 HydrophobicContact CG2-CG 3.99Å |
| 318 | P | 93.4 | Very high | 89.5 | Confident | 11 Ų | 11 | 25.7 Ų | 25.7 | 7% | 0.071 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.3 | -22.1 | -177.1 | 23.2 | -34.1 | 0 | 0 | 0 | 115 | L79 K82 V146 K314 Y315 | L79-P318 HydrophobicContact CD2-CG 4.12Å; K82-P318 WeakPolarHBondContact CE-O 3.44Å; K82-P318 HydrophobicContact CG-CB 4.41Å; V146-P318 HydrophobicContact CB-CB 3.95Å; V146-P318 HydrophobicContact CB-CG 4.32Å; V146-P318 HydrophobicContact CG1-CB 4.31Å; V146-P318 HydrophobicContact CG2-CB 3.61Å; V146-P318 HydrophobicContact CG2-CG 3.79Å; K314-P318 WeakPolarHBondContact O-CD 3.14Å; K314-P318 VanDerWaalsContact O-CG 3.32Å; K314-P318 WeakPolarHBondContact O-CG 3.45Å; Y315-P318 WeakPolarHBondContact O-CD 3.28Å; Y315-P318 WeakPolarHBondContact O-CG 3.29Å |
| 319 | F | 95.3 | Very high | 88.3 | Confident | 14 Ų | 14 | 27.4 Ų | 27.4 | 6% | 0.061 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -103.5 | -25.5 | -177.9 | -68.4 | -79.3 | 0 | 0 | 0 | 114.1 | L78 L79 K82 D292 D293 E296 Y315 I317 | L78-F319 HydrophobicContact CD2-CE2 3.67Å; L78-F319 HydrophobicContact CD2-CZ 3.61Å; L78-F319 HydrophobicContact CG-CZ 4.14Å; L79-F319 HydrophobicContact CD2-CE2 4.03Å; K82-F319 HydrophobicContact CB-CZ 4.16Å; K82-F319 HydrophobicContact CD-CE1 3.86Å; K82-F319 HydrophobicContact CD-CZ 4.02Å; K82-F319 HydrophobicContact CG-CE1 4.32Å; K82-F319 HydrophobicContact CG-CE2 4.49Å; K82-F319 HydrophobicContact CG-CZ 3.96Å; D292-F319 CarbonylContact C-O 3.21Å; D293-F319 HydrophobicContact CB-CB 4.35Å; D293-F319 HydrophobicContact CB-CD1 4Å; D293-F319 WeakPolarHBondContact CB-O 3.29Å; D293-F319 PolarHBondContact N-O 2.84Å; E296-F319 HydrophobicContact CB-CB 4.43Å; E296-F319 HydrophobicContact CG-CB 4.06Å; E296-F319 HydrophobicContact CG-CD1 3.94Å; E296-F319 HydrophobicContact CG-CG 4.21Å; Y315-F319 HydrophobicContact CD1-CD2 4.14Å; Y315-F319 AromaticContact CD2-CD2 3.93Å; Y315-F319 HydrophobicContact CD2-CD2 3.93Å; Y315-F319 AromaticContact CD2-CE2 3.93Å; Y315-F319 HydrophobicContact CD2-CE2 3.93Å; Y315-F319 HydrophobicContact CE1-CB 4.49Å; Y315-F319 HydrophobicContact CE1-CD2 4.17Å; Y315-F319 HydrophobicContact CE1-CG 4.45Å; Y315-F319 AromaticContact CE2-CD2 3.99Å; Y315-F319 HydrophobicContact CE2-CD2 3.99Å; Y315-F319 AromaticContact CE2-CE2 3.92Å; Y315-F319 HydrophobicContact CE2-CE2 3.92Å; Y315-F319 HydrophobicContact CG-CD2 4.05Å; Y315-F319 HydrophobicContact CG-CE2 4.47Å; Y315-F319 VanDerWaalsContact O-CD2 3.25Å; Y315-F319 WeakPolarHBondContact O-CD2 3.28Å; Y315-F319 PolarHBondContact O-N 3.2Å; I317-F319 VanDerWaalsContact C-N 3.25Å; I317-F319 PolarHBondContact O-N 2.7Å |
| 320 | C | 94.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -124.2 | 43.1 | -177.6 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | D292 Y299 C300 A316 R322 T323 C324 | D292-C320 WeakPolarHBondContact OD1-CA 3.35Å; Y299-C320 VanDerWaalsContact CD1-SG 3.57Å; C300-C320 WeakPolarHBondContact CA-SG 3.38Å; C300-C320 HydrophobicContact CB-CB 3.77Å; C300-C320 WeakPolarHBondContact CB-SG 3.26Å; C300-C320 VanDerWaalsContact SG-CA 3.57Å; C300-C320 WeakPolarHBondContact SG-CB 3.42Å; C300-C320 CovalentContact SG-SG 2.04Å; C300-C320 PolarHBondContact SG-SG 3.27Å; A316-C320 VanDerWaalsContact O-CA 3.3Å; A316-C320 WeakPolarHBondContact O-CA 3.05Å; A316-C320 WeakPolarHBondContact O-CB 3.17Å; A316-C320 PolarHBondContact O-N 3.25Å; C320-R322 VanDerWaalsContact C-N 3.26Å; C320-R322 PolarHBondContact O-N 2.77Å; C320-T323 PolarHBondContact O-N 3.07Å; C320-C324 WeakPolarHBondContact O-CB 3.49Å; C320-C324 PolarHBondContact O-N 2.93Å |
| 321 | R | 90.9 | Very high | 84.2 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -41.9 | -172.5 | -72.4 | -164.4 | 81.1 | 84.4 | 3.7 | 112.8 | E239 Y241 I317 G325 R326 | E239-R321 PolarHBondContact O-NH2 2.9Å; Y241-R321 VanDerWaalsContact CD2-NH1 3.29Å; I317-R321 WeakPolarHBondContact O-CG 2.96Å; I317-R321 PolarHBondContact O-N 2.66Å; R321-G325 PolarHBondContact O-N 2.84Å; R321-R326 PolarHBondContact NE-O 2.77Å; R321-R326 PolarHBondContact NH2-O 3.25Å; R321-R326 PolarHBondContact O-N 3.16Å |
| 322 | R | 90 | Very high | 82.2 | Confident | 130 Ų | 130 | 31.9 Ų | 31.9 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -48.6 | -179.3 | -178.3 | -175.1 | 64.4 | 162.9 | 1.3 | 110.5 | D292 C320 C324 G325 | D292-R322 PolarHBondContact OD1-N 2.9Å; D292-R322 VanDerWaalsContact OD1-N 3.16Å; D292-R322 IonicContact OD2-CZ 3.26Å; D292-R322 IonicContact OD2-NE 2.91Å; D292-R322 PolarHBondContact OD2-NE 3.25Å; D292-R322 VanDerWaalsContact OD2-NE 3.13Å; D292-R322 IonicContact OD2-NH2 3.11Å; D292-R322 PolarHBondContact OD2-NH2 3.41Å; D292-R322 VanDerWaalsContact OD2-NH2 3.11Å; C320-R322 VanDerWaalsContact C-N 3.26Å; C320-R322 PolarHBondContact O-N 2.77Å; R322-C324 VanDerWaalsContact C-N 3.29Å; R322-C324 PolarHBondContact O-N 3.14Å; R322-G325 PolarHBondContact O-N 2.98Å; R322-G325 VanDerWaalsContact O-N 3.09Å |
| 323 | T | 91.6 | Very high | 79.8 | Confident | 39 Ų | 39 | 36.1 Ų | 36.1 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -38.3 | 179 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | D292 C300 A303 V304 C320 G325 | D292-T323 WeakPolarHBondContact OD1-CB 3.46Å; D292-T323 PolarHBondContact OD1-N 3.17Å; D292-T323 PolarHBondContact OD1-OG1 2.61Å; D292-T323 PolarHBondContact OD2-OG1 3.01Å; C300-T323 WeakPolarHBondContact O-CG2 3.33Å; A303-T323 HydrophobicContact CB-CG2 4.24Å; V304-T323 HydrophobicContact CG2-CG2 3.71Å; C320-T323 PolarHBondContact O-N 3.07Å; T323-G325 VanDerWaalsContact C-N 3.29Å; T323-G325 PolarHBondContact O-N 3.11Å |
| 324 | C | 89.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.5 | 178.2 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | C309 C320 R322 R326 P339 | C309-C324 VanDerWaalsContact CA-SG 3.52Å; C309-C324 HydrophobicContact CB-CB 3.7Å; C309-C324 WeakPolarHBondContact CB-SG 3.49Å; C309-C324 WeakPolarHBondContact SG-CA 3.11Å; C309-C324 WeakPolarHBondContact SG-CB 3.3Å; C309-C324 CovalentContact SG-SG 2.05Å; C309-C324 PolarHBondContact SG-SG 2.88Å; C320-C324 WeakPolarHBondContact O-CB 3.49Å; C320-C324 PolarHBondContact O-N 2.93Å; R322-C324 VanDerWaalsContact C-N 3.29Å; R322-C324 PolarHBondContact O-N 3.14Å; C324-R326 VanDerWaalsContact C-N 3.28Å; C324-R326 HydrophobicContact CB-CG 4.35Å; C324-R326 PolarHBondContact O-N 3.28Å; C324-R326 PolarHBondContact O-NH1 3Å; C324-P339 WeakPolarHBondContact O-CD 3.47Å |
| 325 | G | 86.8 | Confident | 75.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 31 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | R321 R322 T323 | R321-G325 PolarHBondContact O-N 2.84Å; R322-G325 PolarHBondContact O-N 2.98Å; R322-G325 VanDerWaalsContact O-N 3.09Å; T323-G325 VanDerWaalsContact C-N 3.29Å; T323-G325 PolarHBondContact O-N 3.11Å |
| 326 | R | 87.1 | Confident | 74.1 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | trans | -103.5 | 30.9 | -178.5 | -64.9 | -54.8 | -165 | -79.2 | 5.1 | 113 | E239 I317 R321 C324 P338 | E239-R326 IonicContact OE1-NH2 2.78Å; E239-R326 PolarHBondContact OE1-NH2 3.3Å; E239-R326 IonicContact OE2-CZ 3.53Å; E239-R326 IonicContact OE2-NE 2.76Å; E239-R326 PolarHBondContact OE2-NE 3.2Å; E239-R326 IonicContact OE2-NH2 3.91Å; E239-R326 PolarHBondContact OE2-NH2 2.91Å; E239-R326 VanDerWaalsContact OE2-NH2 3.08Å; I317-R326 HydrophobicContact CD1-CG 4.35Å; I317-R326 HydrophobicContact CG1-CG 4.12Å; I317-R326 HydrophobicContact CG2-CB 4.14Å; I317-R326 HydrophobicContact CG2-CG 3.99Å; R321-R326 PolarHBondContact NE-O 2.77Å; R321-R326 PolarHBondContact NH2-O 3.25Å; R321-R326 PolarHBondContact O-N 3.16Å; C324-R326 VanDerWaalsContact C-N 3.28Å; C324-R326 HydrophobicContact CB-CG 4.35Å; C324-R326 PolarHBondContact O-N 3.28Å; C324-R326 PolarHBondContact O-NH1 3Å; R326-P338 VanDerWaalsContact NH1-CG 3.26Å | ||
| 327 | C | 84.5 | Confident | 73.2 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -81 | 153.5 | 174.9 | -62.3 | 0 | 0 | 0 | 0 | 112 | C290 R329 | C290-C327 WeakPolarHBondContact CA-SG 3.4Å; C290-C327 HydrophobicContact CB-CB 3.62Å; C290-C327 WeakPolarHBondContact CB-SG 3.44Å; C290-C327 WeakPolarHBondContact SG-CB 3.38Å; C290-C327 CovalentContact SG-SG 2.02Å; C290-C327 PolarHBondContact SG-SG 3.23Å; C327-R329 PolarHBondContact O-N 3.06Å |
| 328 | F | 78.5 | Confident | 72.7 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 132.6 | 164.7 | -61.8 | -58.5 | 0 | 0 | 0 | 108.7 | Q205 Y241 L242 Y285 A286 | Q205-F328 HydrophobicContact CB-CE1 4.31Å; Q205-F328 VanDerWaalsContact OE1-CD1 3.24Å; Y241-F328 HydrophobicContact CD1-CE2 4.26Å; L242-F328 WeakPolarHBondContact O-CE2 3.49Å; Y285-F328 HydrophobicContact CE1-CE2 4.31Å; A286-F328 HydrophobicContact CB-CB 3.86Å |
| 329 | R | 65.6 | Low | 72.4 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 120.9 | 173.3 | -71.8 | -176.8 | 179.8 | 169.5 | 6.6 | 108.9 | D231 C327 S336 | D231-R329 VanDerWaalsContact O-CB 3.29Å; D231-R329 WeakPolarHBondContact O-CB 3.32Å; D231-R329 VanDerWaalsContact O-CD 3.25Å; D231-R329 WeakPolarHBondContact O-CD 3.02Å; C327-R329 PolarHBondContact O-N 3.06Å; R329-S336 PolarHBondContact NE-O 2.88Å; R329-S336 PolarHBondContact NE-OG 3.29Å; R329-S336 PolarHBondContact NH2-O 2.84Å; R329-S336 PolarHBondContact NH2-OG 2.71Å |
| 330 | A | 46.9 | Very low | 71.8 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 24% | 0.24 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -147.5 | 84.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A286 S332 | A286-A330 HydrophobicContact CB-CB 3.89Å; A330-S332 PolarHBondContact O-N 2.96Å; A330-S332 PolarHBondContact O-OG 3.28Å |
| 331 | G | 42.7 | Very low | 71.3 | Confident | 91 Ų | 91 | 54 Ų | 54 | 94% | 0.938 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 56.1 | 19 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 332 | S | 40 | Very low | 71 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 46% | 0.462 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -136.6 | 133.7 | -168.8 | -45.8 | 0 | 0 | 0 | 0 | 111.9 | A330 G334 | A330-S332 PolarHBondContact O-N 2.96Å; A330-S332 PolarHBondContact O-OG 3.28Å; S332-G334 PolarHBondContact O-N 2.93Å |
| 333 | I | 37.6 | Very low | 70.9 | Confident | 177 Ų | 177 | 53 Ų | 53 | 91% | 0.908 | 32% | 0.32 | S | S | * | . | trans | -50 | 114.2 | -179.4 | -61.3 | 156.9 | 0 | 0 | 0 | 111 | ||||
| 334 | G | 46.6 | Very low | 70.6 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 175 | 144.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S332 S336 | S332-G334 PolarHBondContact O-N 2.93Å; G334-S336 PolarHBondContact O-N 3.19Å |
| 335 | I | 49.8 | Very low | 70.4 | Confident | 116 Ų | 116 | 55.3 Ų | 55.3 | 60% | 0.595 | 33% | 0.329 | S | S | * | . | trans | -58.7 | 98.1 | -178.7 | -56.2 | 168.7 | 0 | 0 | 0 | 108.6 | ||||
| 336 | S | 59.5 | Low | 70 | Confident | 30 Ų | 30 | 59 Ų | 59 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | trans | -110.7 | 4.5 | -179.8 | 64 | 0 | 0 | 0 | 0 | 111.8 | R329 G334 | R329-S336 PolarHBondContact NE-O 2.88Å; R329-S336 PolarHBondContact NE-OG 3.29Å; R329-S336 PolarHBondContact NH2-O 2.84Å; R329-S336 PolarHBondContact NH2-OG 2.71Å; G334-S336 PolarHBondContact O-N 3.19Å | ||
| 337 | T | 74.2 | Confident | 69.4 | Low | 88 Ų | 88 | 62.9 Ų | 62.9 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -95.5 | 124.2 | 171.7 | 45.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 338 | P | 82 | Confident | 69.1 | Low | 19 Ų | 19 | 68.4 Ų | 68.4 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -49 | 139.2 | 168.4 | -32.8 | 40.1 | 0 | 0 | 0 | 111.9 | Y310 R326 V387 | Y310-P338 WeakPolarHBondContact OH-CB 3.49Å; R326-P338 VanDerWaalsContact NH1-CG 3.26Å; P338-V387 HydrophobicContact CB-CG1 3.78Å; P338-V387 VanDerWaalsContact O-CG1 3.3Å; P338-V387 WeakPolarHBondContact O-CG1 3.46Å |
| 339 | P | 85.9 | Confident | 69.1 | Low | 24 Ų | 24 | 74.4 Ų | 74.4 | 16% | 0.156 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 151.5 | 177.5 | 27.5 | -35.1 | 0 | 0 | 0 | 110.6 | V304 C309 Y310 C324 K341 | V304-P339 HydrophobicContact CB-CB 4.49Å; V304-P339 HydrophobicContact CG1-CB 3.76Å; V304-P339 HydrophobicContact CG1-CG 4.45Å; V304-P339 HydrophobicContact CG2-CB 4.05Å; V304-P339 HydrophobicContact CG2-CG 4.08Å; C309-P339 HydrophobicContact CB-CG 4.27Å; Y310-P339 HydrophobicContact CE2-CG 4.32Å; Y310-P339 WeakPolarHBondContact CE2-O 3.49Å; Y310-P339 VanDerWaalsContact CZ-O 3.22Å; Y310-P339 PolarHBondContact OH-O 3.27Å; C324-P339 WeakPolarHBondContact O-CD 3.47Å; P339-K341 PolarHBondContact O-N 2.73Å |
| 340 | K | 83.7 | Confident | 70 | Confident | 153 Ų | 153 | 74.6 Ų | 74.6 | 67% | 0.665 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 134.4 | 174 | -66.4 | -175.6 | -178.9 | -177.9 | 0 | 110.5 | L342 V383 | K340-L342 PolarHBondContact O-N 3.18Å; K340-V383 HydrophobicContact CB-CG1 4.47Å |
| 341 | K | 83.8 | Confident | 71.9 | Confident | 23 Ų | 23 | 73.2 Ų | 73.2 | 10% | 0.1 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -69 | 123.5 | 168.8 | -173 | 175.5 | 177 | 178.1 | 0 | 108.5 | Y310 D311 P339 D409 | Y310-K341 HydrophobicContact CD2-CB 3.7Å; Y310-K341 HydrophobicContact CD2-CD 4.32Å; Y310-K341 HydrophobicContact CD2-CG 3.92Å; Y310-K341 HydrophobicContact CE2-CB 3.79Å; Y310-K341 HydrophobicContact CG-CB 4.17Å; Y310-K341 HydrophobicContact CG-CD 4.03Å; Y310-K341 HydrophobicContact CG-CG 4.16Å; D311-K341 IonicContact OD1-NZ 2.65Å; P339-K341 PolarHBondContact O-N 2.73Å; K341-D409 IonicContact NZ-OD2 3.11Å; K341-D409 PolarHBondContact NZ-OD2 2.82Å |
| 342 | L | 85 | Confident | 73.9 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 40% | 0.403 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 135.1 | 178.3 | -59.8 | 173.2 | 0 | 0 | 0 | 109.2 | N307 K340 Q344 | N307-L342 PolarHBondContact ND2-O 3.28Å; N307-L342 PolarHBondContact OD1-N 3.08Å; K340-L342 PolarHBondContact O-N 3.18Å; L342-Q344 PolarHBondContact O-N 3.33Å |
| 343 | C | 86.9 | Confident | 76 | Confident | 41 Ų | 41 | 74.4 Ų | 74.4 | 28% | 0.277 | 40% | 0.402 | S | S | . | . | trans | -81.8 | 111.2 | 166.8 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | C377 | C343-C377 HydrophobicContact CB-CB 3.67Å; C343-C377 WeakPolarHBondContact CB-SG 3.32Å; C343-C377 WeakPolarHBondContact SG-CA 3.46Å; C343-C377 WeakPolarHBondContact SG-CB 3.21Å; C343-C377 CovalentContact SG-SG 2.01Å; C343-C377 PolarHBondContact SG-SG 3.1Å | ||
| 344 | Q | 85.7 | Confident | 78.2 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | trans | -152.4 | 159.4 | 178.8 | 65.8 | -170.1 | 14.5 | 0 | 0 | 110 | S305 L342 | S305-Q344 PolarHBondContact O-NE2 3.49Å; L342-Q344 PolarHBondContact O-N 3.33Å | ||
| 345 | D | 86.6 | Confident | 79.9 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 131.9 | 169.2 | -64.3 | -19.1 | 0 | 0 | 0 | 109.6 | I348 C351 N369 C370 Q371 Y372 S373 | D345-I348 HydrophobicContact CB-CG1 4.24Å; D345-C351 HydrophobicContact CB-CB 4.24Å; D345-N369 CarbonylContact C-O 3.55Å; D345-N369 WeakPolarHBondContact CA-O 3.48Å; D345-C370 WeakPolarHBondContact OD1-CA 3.25Å; D345-Q371 PolarHBondContact OD1-N 3.14Å; D345-Y372 WeakPolarHBondContact OD1-CA 3.5Å; D345-Y372 WeakPolarHBondContact OD1-CB 3.05Å; D345-Y372 PolarHBondContact OD1-N 3.16Å; D345-S373 PolarHBondContact OD1-N 3.04Å; D345-S373 WeakPolarHBondContact OD2-CB 3.3Å; D345-S373 PolarHBondContact OD2-N 3.04Å; D345-S373 PolarHBondContact OD2-OG 3.35Å |
| 346 | V | 78.3 | Confident | 81.4 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 47% | 0.467 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -76.1 | -41.4 | -179.9 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | N369 | V346-N369 HydrophobicContact CB-CB 4.3Å; V346-N369 HydrophobicContact CG2-CB 4.37Å; V346-N369 PolarHBondContact N-O 2.96Å |
| 347 | E | 73.4 | Confident | 82.5 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -122.5 | 72.2 | -178.4 | -64.6 | -172.4 | 177.1 | 0 | 0 | 110.2 | N349 M350 C351 W365 | E347-N349 PolarHBondContact O-N 2.93Å; E347-M350 HydrophobicContact CB-CB 4.27Å; E347-M350 PolarHBondContact O-N 3.37Å; E347-M350 WeakPolarHBondContact OE2-CE 3.48Å; E347-C351 PolarHBondContact O-N 2.82Å; E347-C351 PolarHBondContact O-SG 3.44Å; E347-C351 VanDerWaalsContact O-SG 3.34Å; E347-W365 HydrophobicContact CB-CH2 4.34Å; E347-W365 HydrophobicContact CG-CH2 4.46Å; E347-W365 WeakPolarHBondContact OE2-CH2 3.21Å |
| 348 | I | 77.5 | Confident | 82.7 | Confident | 121 Ų | 121 | 65 Ų | 65 | 62% | 0.621 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -44.3 | -45.6 | -173.7 | -62.2 | 167 | 0 | 0 | 0 | 112.2 | D345 M350 C351 E352 | D345-I348 HydrophobicContact CB-CG1 4.24Å; I348-M350 VanDerWaalsContact C-N 3.34Å; I348-M350 PolarHBondContact O-N 3.27Å; I348-C351 PolarHBondContact O-N 2.84Å; I348-E352 PolarHBondContact O-N 3.45Å |
| 349 | N | 80 | Confident | 82.8 | Confident | 147 Ų | 147 | 67 Ų | 67 | 79% | 0.786 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.8 | -33.2 | -177.4 | -64.2 | -15.2 | 0 | 0 | 0 | 113.3 | E347 | E347-N349 PolarHBondContact O-N 2.93Å |
| 350 | M | 83.4 | Confident | 82.8 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -83.5 | -35.6 | 178.7 | -76.3 | -178.7 | 14.6 | 0 | 0 | 111.5 | E347 I348 E352 T353 Y354 W365 | E347-M350 HydrophobicContact CB-CB 4.27Å; E347-M350 PolarHBondContact O-N 3.37Å; E347-M350 WeakPolarHBondContact OE2-CE 3.48Å; I348-M350 VanDerWaalsContact C-N 3.34Å; I348-M350 PolarHBondContact O-N 3.27Å; M350-E352 VanDerWaalsContact C-N 3.35Å; M350-E352 PolarHBondContact O-N 3.4Å; M350-T353 PolarHBondContact O-N 2.83Å; M350-Y354 HydrophobicContact CB-CE2 4.48Å; M350-Y354 HydrophobicContact CE-CE2 3.99Å; M350-Y354 PolarHBondContact O-N 2.91Å; M350-W365 HydrophobicContact CE-CH2 3.43Å; M350-W365 VanDerWaalsContact CE-CH2 3.43Å; M350-W365 HydrophobicContact CE-CZ2 4.16Å; M350-W365 HydrophobicContact CE-CZ3 3.89Å |
| 351 | C | 86.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | -178.6 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | D345 E347 I348 T353 Y354 V355 C370 | D345-C351 HydrophobicContact CB-CB 4.24Å; E347-C351 PolarHBondContact O-N 2.82Å; E347-C351 PolarHBondContact O-SG 3.44Å; E347-C351 VanDerWaalsContact O-SG 3.34Å; I348-C351 PolarHBondContact O-N 2.84Å; C351-T353 VanDerWaalsContact C-N 3.28Å; C351-T353 PolarHBondContact O-N 3.26Å; C351-Y354 PolarHBondContact O-N 3.33Å; C351-V355 WeakPolarHBondContact O-CB 3.36Å; C351-V355 WeakPolarHBondContact O-CG2 3.36Å; C351-V355 PolarHBondContact O-N 2.84Å; C351-C370 WeakPolarHBondContact CA-SG 3.18Å; C351-C370 HydrophobicContact CB-CB 3.59Å; C351-C370 WeakPolarHBondContact CB-SG 3.32Å; C351-C370 WeakPolarHBondContact SG-CA 3.34Å; C351-C370 WeakPolarHBondContact SG-CB 3.47Å; C351-C370 CovalentContact SG-SG 2.04Å; C351-C370 PolarHBondContact SG-SG 3.21Å |
| 352 | E | 85.4 | Confident | 82.3 | Confident | 114 Ų | 114 | 63 Ų | 63 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.3 | -45 | 178.2 | -167.1 | -164.4 | 150.7 | 0 | 0 | 112 | I348 M350 K356 | I348-E352 PolarHBondContact O-N 3.45Å; M350-E352 VanDerWaalsContact C-N 3.35Å; M350-E352 PolarHBondContact O-N 3.4Å; E352-K356 WeakPolarHBondContact O-CG 3.47Å; E352-K356 PolarHBondContact O-N 2.83Å; E352-K356 IonicContact OE1-NZ 2.77Å; E352-K356 PolarHBondContact OE1-NZ 2.92Å |
| 353 | T | 84.7 | Confident | 82.1 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.5 | -44.5 | -178.9 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | M350 C351 V355 K356 E357 | M350-T353 PolarHBondContact O-N 2.83Å; C351-T353 VanDerWaalsContact C-N 3.28Å; C351-T353 PolarHBondContact O-N 3.26Å; T353-V355 PolarHBondContact O-N 2.84Å; T353-K356 PolarHBondContact O-N 3.28Å; T353-E357 WeakPolarHBondContact O-CG 3.44Å; T353-E357 PolarHBondContact O-N 3.25Å; T353-E357 VanDerWaalsContact O-N 3.07Å |
| 354 | Y | 83.8 | Confident | 81.9 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | -177.2 | -72.1 | -4.1 | 0 | 0 | 0 | 112.8 | M350 C351 E357 G358 Y359 W365 T366 | M350-Y354 HydrophobicContact CB-CE2 4.48Å; M350-Y354 HydrophobicContact CE-CE2 3.99Å; M350-Y354 PolarHBondContact O-N 2.91Å; C351-Y354 PolarHBondContact O-N 3.33Å; Y354-E357 CarbonylContact O-C 3.54Å; Y354-E357 PolarHBondContact O-N 3.26Å; Y354-G358 PolarHBondContact O-N 3.06Å; Y354-Y359 HydrophobicContact CD1-CD2 4.23Å; Y354-Y359 HydrophobicContact CD1-CE2 4.37Å; Y354-Y359 HydrophobicContact CG-CD2 4.38Å; Y354-Y359 WeakPolarHBondContact O-CB 3.36Å; Y354-Y359 WeakPolarHBondContact O-CD2 3.48Å; Y354-Y359 PolarHBondContact O-N 3.5Å; Y354-W365 HydrophobicContact CD2-CE3 4.32Å; Y354-W365 AromaticContact CD2-CZ3 3.94Å; Y354-W365 HydrophobicContact CD2-CZ3 3.94Å; Y354-W365 HydrophobicContact CE2-CE3 4.12Å; Y354-W365 AromaticContact CE2-CZ3 3.75Å; Y354-W365 HydrophobicContact CE2-CZ3 3.75Å; Y354-T366 HydrophobicContact CD2-CG2 4.5Å; Y354-T366 WeakPolarHBondContact CD2-OG1 3.46Å |
| 355 | V | 82 | Confident | 81.9 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 30% | 0.303 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 174.4 | 175 | 0 | 0 | 0 | 0 | 110.5 | C351 T353 E357 G358 C360 S373 | C351-V355 WeakPolarHBondContact O-CB 3.36Å; C351-V355 WeakPolarHBondContact O-CG2 3.36Å; C351-V355 PolarHBondContact O-N 2.84Å; T353-V355 PolarHBondContact O-N 2.84Å; V355-E357 PolarHBondContact O-N 2.98Å; V355-G358 PolarHBondContact O-N 2.86Å; V355-C360 WeakPolarHBondContact CG2-SG 3.33Å; V355-S373 VanDerWaalsContact CG2-CB 3.46Å |
| 356 | K | 82 | Confident | 81.9 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 176.9 | -75.1 | 173.5 | 173.8 | 173.5 | 0 | 113.1 | E352 T353 G358 L587 | E352-K356 WeakPolarHBondContact O-CG 3.47Å; E352-K356 PolarHBondContact O-N 2.83Å; E352-K356 IonicContact OE1-NZ 2.77Å; E352-K356 PolarHBondContact OE1-NZ 2.92Å; T353-K356 PolarHBondContact O-N 3.28Å; K356-G358 VanDerWaalsContact C-N 3.26Å; K356-G358 PolarHBondContact O-N 2.99Å; K356-L587 WeakPolarHBondContact CD-O 3.43Å; K356-L587 PolarHBondContact NZ-O 3.11Å |
| 357 | E | 82.3 | Confident | 82.2 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 9.9 | 177.5 | -67.7 | -73.8 | 143.7 | 0 | 0 | 113 | T353 Y354 V355 Y359 I469 R473 Q490 | T353-E357 WeakPolarHBondContact O-CG 3.44Å; T353-E357 PolarHBondContact O-N 3.25Å; T353-E357 VanDerWaalsContact O-N 3.07Å; Y354-E357 CarbonylContact O-C 3.54Å; Y354-E357 PolarHBondContact O-N 3.26Å; V355-E357 PolarHBondContact O-N 2.98Å; E357-Y359 VanDerWaalsContact C-N 3.29Å; E357-Y359 HydrophobicContact CB-CD2 3.46Å; E357-Y359 VanDerWaalsContact CB-CD2 3.46Å; E357-Y359 HydrophobicContact CB-CE2 3.41Å; E357-Y359 VanDerWaalsContact CB-CE2 3.41Å; E357-Y359 HydrophobicContact CG-CE2 4.26Å; E357-Y359 PolarHBondContact O-N 2.96Å; E357-I469 VanDerWaalsContact C-CG2 3.43Å; E357-I469 VanDerWaalsContact O-CG2 3.28Å; E357-I469 WeakPolarHBondContact O-CG2 3.43Å; E357-R473 IonicContact OE1-CZ 3.57Å; E357-R473 IonicContact OE1-NH1 3.9Å; E357-R473 PolarHBondContact OE1-NH1 3.26Å; E357-R473 IonicContact OE1-NH2 2.66Å; E357-R473 IonicContact OE2-CZ 2.72Å; E357-R473 IonicContact OE2-NH1 2.9Å; E357-R473 PolarHBondContact OE2-NH1 2.04Å; E357-R473 IonicContact OE2-NH2 3.22Å; E357-R473 PolarHBondContact OE2-NH2 3.34Å; E357-Q490 PolarHBondContact O-NE2 3.28Å; E357-Q490 PolarHBondContact OE2-NE2 3.15Å |
| 358 | G | 77.5 | Confident | 82.7 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 8.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y354 V355 K356 C360 H361 F362 | Y354-G358 PolarHBondContact O-N 3.06Å; V355-G358 PolarHBondContact O-N 2.86Å; K356-G358 VanDerWaalsContact C-N 3.26Å; K356-G358 PolarHBondContact O-N 2.99Å; G358-C360 PolarHBondContact O-N 3.2Å; G358-C360 VanDerWaalsContact O-N 3.16Å; G358-H361 PolarHBondContact O-N 3.01Å; G358-H361 VanDerWaalsContact O-N 3.16Å; G358-F362 VanDerWaalsContact O-CE1 3.23Å; G358-F362 WeakPolarHBondContact O-CE1 3.32Å |
| 359 | Y | 85.2 | Confident | 83.1 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -62.4 | -24 | -176.1 | -76.5 | -93.9 | 0 | 0 | 0 | 113.3 | Y354 E357 H361 F362 D363 T486 | Y354-Y359 HydrophobicContact CD1-CD2 4.23Å; Y354-Y359 HydrophobicContact CD1-CE2 4.37Å; Y354-Y359 HydrophobicContact CG-CD2 4.38Å; Y354-Y359 WeakPolarHBondContact O-CB 3.36Å; Y354-Y359 WeakPolarHBondContact O-CD2 3.48Å; Y354-Y359 PolarHBondContact O-N 3.5Å; E357-Y359 VanDerWaalsContact C-N 3.29Å; E357-Y359 HydrophobicContact CB-CD2 3.46Å; E357-Y359 VanDerWaalsContact CB-CD2 3.46Å; E357-Y359 HydrophobicContact CB-CE2 3.41Å; E357-Y359 VanDerWaalsContact CB-CE2 3.41Å; E357-Y359 HydrophobicContact CG-CE2 4.26Å; E357-Y359 PolarHBondContact O-N 2.96Å; Y359-H361 PolarHBondContact O-N 2.69Å; Y359-F362 AromaticContact CD1-CE2 3.51Å; Y359-F362 HydrophobicContact CD1-CE2 3.51Å; Y359-F362 AromaticContact CD1-CZ 3.78Å; Y359-F362 HydrophobicContact CD1-CZ 3.78Å; Y359-F362 HydrophobicContact CD2-CZ 4.47Å; Y359-F362 AromaticContact CE1-CE2 3.87Å; Y359-F362 HydrophobicContact CE1-CE2 3.87Å; Y359-F362 HydrophobicContact CE1-CZ 4.14Å; Y359-F362 HydrophobicContact CG-CE2 4.12Å; Y359-F362 AromaticContact CG-CZ 3.95Å; Y359-F362 HydrophobicContact CG-CZ 3.95Å; Y359-F362 PolarHBondContact O-N 3.35Å; Y359-D363 HydrophobicContact CD1-CB 3.82Å; Y359-D363 HydrophobicContact CG-CB 4.43Å; Y359-D363 WeakPolarHBondContact O-CB 3.33Å; Y359-D363 PolarHBondContact O-N 2.77Å; Y359-T486 HydrophobicContact CE1-CG2 3.92Å |
| 360 | C | 85.8 | Confident | 83.6 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -52.4 | -22.7 | 173.6 | -65.4 | 0 | 0 | 0 | 0 | 114.1 | V355 G358 K367 C374 | V355-C360 WeakPolarHBondContact CG2-SG 3.33Å; G358-C360 PolarHBondContact O-N 3.2Å; G358-C360 VanDerWaalsContact O-N 3.16Å; C360-K367 WeakPolarHBondContact O-CE 3.27Å; C360-K367 VanDerWaalsContact O-CG 3.23Å; C360-K367 WeakPolarHBondContact O-CG 3.47Å; C360-C374 VanDerWaalsContact CA-SG 3.58Å; C360-C374 HydrophobicContact CB-CB 3.64Å; C360-C374 WeakPolarHBondContact CB-SG 3.22Å; C360-C374 WeakPolarHBondContact SG-CA 3.19Å; C360-C374 WeakPolarHBondContact SG-CB 3.21Å; C360-C374 CovalentContact SG-SG 2.04Å; C360-C374 PolarHBondContact SG-SG 2.96Å |
| 361 | H | 80.8 | Confident | 83.8 | Confident | 64 Ų | 64 | 41.7 Ų | 41.7 | 30% | 0.296 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -91.4 | -26 | -175.3 | -64.7 | -63.6 | 0 | 0 | 0 | 114.4 | G358 Y359 K367 R466 Y468 | G358-H361 PolarHBondContact O-N 3.01Å; G358-H361 VanDerWaalsContact O-N 3.16Å; Y359-H361 PolarHBondContact O-N 2.69Å; H361-K367 WeakPolarHBondContact O-CE 3.42Å; H361-K367 PolarHBondContact O-NZ 3.19Å; H361-R466 PolarHBondContact CE1-NH2 2.05Å; H361-R466 PolarHBondContact NE2-NH2 2.6Å; H361-R466 VanDerWaalsContact NE2-NH2 3.18Å; H361-Y468 HydrophobicContact CB-CD1 3.75Å; H361-Y468 HydrophobicContact CB-CD2 4.32Å; H361-Y468 HydrophobicContact CB-CE1 3.65Å; H361-Y468 HydrophobicContact CB-CE2 4.23Å; H361-Y468 HydrophobicContact CB-CG 4.08Å; H361-Y468 AromaticContact CD2-CD1 3.09Å; H361-Y468 WeakPolarHBondContact CD2-CD1 3.04Å; H361-Y468 AromaticContact CD2-CE1 3.67Å; H361-Y468 AromaticContact CD2-CG 3.73Å; H361-Y468 AromaticContact CG-CD1 3.35Å; H361-Y468 AromaticContact CG-CE1 3.42Å; H361-Y468 VanDerWaalsContact CG-CE1 3.42Å; H361-Y468 AromaticContact ND1-CE1 3.85Å; H361-Y468 AromaticContact NE2-CD1 3.68Å |
| 362 | F | 76 | Confident | 84 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.8 | -5.7 | -170 | 60.7 | -101.5 | 0 | 0 | 0 | 114.9 | G358 Y359 T486 K489 Q490 | G358-F362 VanDerWaalsContact O-CE1 3.23Å; G358-F362 WeakPolarHBondContact O-CE1 3.32Å; Y359-F362 AromaticContact CD1-CE2 3.51Å; Y359-F362 HydrophobicContact CD1-CE2 3.51Å; Y359-F362 AromaticContact CD1-CZ 3.78Å; Y359-F362 HydrophobicContact CD1-CZ 3.78Å; Y359-F362 HydrophobicContact CD2-CZ 4.47Å; Y359-F362 AromaticContact CE1-CE2 3.87Å; Y359-F362 HydrophobicContact CE1-CE2 3.87Å; Y359-F362 HydrophobicContact CE1-CZ 4.14Å; Y359-F362 HydrophobicContact CG-CE2 4.12Å; Y359-F362 AromaticContact CG-CZ 3.95Å; Y359-F362 HydrophobicContact CG-CZ 3.95Å; Y359-F362 PolarHBondContact O-N 3.35Å; F362-T486 HydrophobicContact CE2-CG2 4.09Å; F362-T486 HydrophobicContact CZ-CG2 4.03Å; F362-K489 HydrophobicContact CB-CB 4.14Å; F362-K489 HydrophobicContact CB-CD 4.16Å; F362-K489 HydrophobicContact CD1-CB 3.84Å; F362-K489 HydrophobicContact CD2-CB 3.8Å; F362-K489 HydrophobicContact CD2-CD 3.53Å; F362-K489 HydrophobicContact CD2-CG 4.33Å; F362-K489 HydrophobicContact CE1-CB 4.19Å; F362-K489 HydrophobicContact CE2-CB 4.14Å; F362-K489 HydrophobicContact CE2-CD 4.17Å; F362-K489 HydrophobicContact CG-CB 3.64Å; F362-K489 HydrophobicContact CG-CD 3.97Å; F362-K489 HydrophobicContact CG-CG 4.4Å; F362-K489 HydrophobicContact CZ-CB 4.34Å; F362-Q490 HydrophobicContact CE1-CB 4.45Å; F362-Q490 HydrophobicContact CE1-CG 3.58Å; F362-Q490 HydrophobicContact CZ-CG 3.57Å |
| 363 | D | 81.2 | Confident | 84.2 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | trans | -108.8 | 109.1 | 178.4 | -178.6 | 58.2 | 0 | 0 | 0 | 110.9 | Y359 W365 T366 K367 | Y359-D363 HydrophobicContact CD1-CB 3.82Å; Y359-D363 HydrophobicContact CG-CB 4.43Å; Y359-D363 WeakPolarHBondContact O-CB 3.33Å; Y359-D363 PolarHBondContact O-N 2.77Å; D363-W365 PolarHBondContact O-N 3.25Å; D363-T366 PolarHBondContact O-N 2.75Å; D363-T366 VanDerWaalsContact OD2-CB 3.24Å; D363-T366 WeakPolarHBondContact OD2-CB 3.41Å; D363-T366 PolarHBondContact OD2-N 2.9Å; D363-T366 PolarHBondContact OD2-OG1 3.47Å; D363-K367 WeakPolarHBondContact O-CG 3.03Å; D363-K367 PolarHBondContact O-N 3.13Å | ||
| 364 | G | 82.6 | Confident | 84.4 | Confident | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -32.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K367 L368 | G364-K367 PolarHBondContact O-N 3.4Å; G364-L368 WeakPolarHBondContact O-CB 3.5Å; G364-L368 VanDerWaalsContact O-CG 3.23Å; G364-L368 WeakPolarHBondContact O-CG 3.33Å; G364-L368 PolarHBondContact O-N 3.42Å; G364-L368 VanDerWaalsContact O-N 3.07Å |
| 365 | W | 85.8 | Confident | 84.6 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 36% | 0.36 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.8 | -47.1 | 176.4 | -175.4 | 94.8 | 0 | 0 | 0 | 110.9 | E347 M350 Y354 D363 K367 L368 N369 | E347-W365 HydrophobicContact CB-CH2 4.34Å; E347-W365 HydrophobicContact CG-CH2 4.46Å; E347-W365 WeakPolarHBondContact OE2-CH2 3.21Å; M350-W365 HydrophobicContact CE-CH2 3.43Å; M350-W365 VanDerWaalsContact CE-CH2 3.43Å; M350-W365 HydrophobicContact CE-CZ2 4.16Å; M350-W365 HydrophobicContact CE-CZ3 3.89Å; Y354-W365 HydrophobicContact CD2-CE3 4.32Å; Y354-W365 AromaticContact CD2-CZ3 3.94Å; Y354-W365 HydrophobicContact CD2-CZ3 3.94Å; Y354-W365 HydrophobicContact CE2-CE3 4.12Å; Y354-W365 AromaticContact CE2-CZ3 3.75Å; Y354-W365 HydrophobicContact CE2-CZ3 3.75Å; D363-W365 PolarHBondContact O-N 3.25Å; W365-K367 PolarHBondContact O-N 2.83Å; W365-L368 PolarHBondContact O-N 2.86Å; W365-N369 HydrophobicContact CD2-CB 4.32Å; W365-N369 VanDerWaalsContact CE2-ND2 3.31Å; W365-N369 HydrophobicContact CE3-CB 4.34Å; W365-N369 HydrophobicContact CH2-CB 3.94Å; W365-N369 HydrophobicContact CZ2-CB 3.96Å; W365-N369 HydrophobicContact CZ3-CB 4.15Å; W365-N369 PolarHBondContact NE1-ND2 2.83Å; W365-N369 WeakPolarHBondContact O-CB 3.34Å; W365-N369 PolarHBondContact O-N 3.13Å; W365-N369 PolarHBondContact O-ND2 2.5Å |
| 366 | T | 85.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | Y354 D363 L368 N369 C370 | Y354-T366 HydrophobicContact CD2-CG2 4.5Å; Y354-T366 WeakPolarHBondContact CD2-OG1 3.46Å; D363-T366 PolarHBondContact O-N 2.75Å; D363-T366 VanDerWaalsContact OD2-CB 3.24Å; D363-T366 WeakPolarHBondContact OD2-CB 3.41Å; D363-T366 PolarHBondContact OD2-N 2.9Å; D363-T366 PolarHBondContact OD2-OG1 3.47Å; T366-L368 VanDerWaalsContact C-N 3.27Å; T366-L368 PolarHBondContact O-N 3.11Å; T366-N369 PolarHBondContact O-N 3.39Å; T366-C370 HydrophobicContact CG2-CB 4.06Å; T366-C370 WeakPolarHBondContact O-CA 3.43Å; T366-C370 WeakPolarHBondContact O-CB 3.47Å; T366-C370 PolarHBondContact O-N 3.19Å |
| 367 | K | 85.7 | Confident | 85.2 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53.2 | -46.4 | 175.1 | -72.1 | -177.3 | 177.8 | -174.7 | 0 | 111.8 | C360 H361 D363 G364 W365 Q371 L376 L411 V415 E418 | C360-K367 WeakPolarHBondContact O-CE 3.27Å; C360-K367 VanDerWaalsContact O-CG 3.23Å; C360-K367 WeakPolarHBondContact O-CG 3.47Å; H361-K367 WeakPolarHBondContact O-CE 3.42Å; H361-K367 PolarHBondContact O-NZ 3.19Å; D363-K367 WeakPolarHBondContact O-CG 3.03Å; D363-K367 PolarHBondContact O-N 3.13Å; G364-K367 PolarHBondContact O-N 3.4Å; W365-K367 PolarHBondContact O-N 2.83Å; K367-Q371 VanDerWaalsContact O-CG 3.25Å; K367-Q371 WeakPolarHBondContact O-CG 3.42Å; K367-L376 HydrophobicContact CB-CD1 3.74Å; K367-L376 HydrophobicContact CG-CD1 3.74Å; K367-L411 WeakPolarHBondContact O-CD2 3.5Å; K367-V415 HydrophobicContact CB-CG2 4.11Å; K367-V415 HydrophobicContact CD-CG2 3.96Å; K367-E418 IonicContact NZ-OE1 3.35Å; K367-E418 PolarHBondContact NZ-OE1 3.13Å; K367-E418 IonicContact NZ-OE2 2.73Å; K367-E418 PolarHBondContact NZ-OE2 2.94Å |
| 368 | L | 83.6 | Confident | 85.3 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78.6 | -32.4 | -174.8 | -67.8 | 174.9 | 0 | 0 | 0 | 114.7 | G364 W365 T366 Q371 L411 R412 V415 | G364-L368 WeakPolarHBondContact O-CB 3.5Å; G364-L368 VanDerWaalsContact O-CG 3.23Å; G364-L368 WeakPolarHBondContact O-CG 3.33Å; G364-L368 PolarHBondContact O-N 3.42Å; G364-L368 VanDerWaalsContact O-N 3.07Å; W365-L368 PolarHBondContact O-N 2.86Å; T366-L368 VanDerWaalsContact C-N 3.27Å; T366-L368 PolarHBondContact O-N 3.11Å; L368-Q371 WeakPolarHBondContact O-CG 3.34Å; L368-Q371 PolarHBondContact O-NE2 3.27Å; L368-L411 HydrophobicContact CD2-CB 4.35Å; L368-L411 HydrophobicContact CD2-CD2 4.12Å; L368-L411 HydrophobicContact CD2-CG 3.9Å; L368-R412 HydrophobicContact CD1-CG 4.19Å; L368-R412 HydrophobicContact CD2-CB 4.28Å; L368-R412 HydrophobicContact CD2-CG 3.46Å; L368-R412 VanDerWaalsContact CD2-CG 3.46Å; L368-R412 HydrophobicContact CG-CG 4.48Å; L368-V415 HydrophobicContact CD1-CG1 4.37Å; L368-V415 HydrophobicContact CD2-CG2 4.37Å; L368-V415 HydrophobicContact CG-CG2 4.24Å |
| 369 | N | 85.5 | Confident | 85.7 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -102.7 | -15.3 | -174.1 | -65.6 | -81.2 | 0 | 0 | 0 | 113.4 | D345 V346 W365 T366 | D345-N369 CarbonylContact C-O 3.55Å; D345-N369 WeakPolarHBondContact CA-O 3.48Å; V346-N369 HydrophobicContact CB-CB 4.3Å; V346-N369 HydrophobicContact CG2-CB 4.37Å; V346-N369 PolarHBondContact N-O 2.96Å; W365-N369 HydrophobicContact CD2-CB 4.32Å; W365-N369 VanDerWaalsContact CE2-ND2 3.31Å; W365-N369 HydrophobicContact CE3-CB 4.34Å; W365-N369 HydrophobicContact CH2-CB 3.94Å; W365-N369 HydrophobicContact CZ2-CB 3.96Å; W365-N369 HydrophobicContact CZ3-CB 4.15Å; W365-N369 PolarHBondContact NE1-ND2 2.83Å; W365-N369 WeakPolarHBondContact O-CB 3.34Å; W365-N369 PolarHBondContact O-N 3.13Å; W365-N369 PolarHBondContact O-ND2 2.5Å; T366-N369 PolarHBondContact O-N 3.39Å |
| 370 | C | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -118.2 | 38.6 | 178.8 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | D345 C351 T366 Y372 S373 C374 | D345-C370 WeakPolarHBondContact OD1-CA 3.25Å; C351-C370 WeakPolarHBondContact CA-SG 3.18Å; C351-C370 HydrophobicContact CB-CB 3.59Å; C351-C370 WeakPolarHBondContact CB-SG 3.32Å; C351-C370 WeakPolarHBondContact SG-CA 3.34Å; C351-C370 WeakPolarHBondContact SG-CB 3.47Å; C351-C370 CovalentContact SG-SG 2.04Å; C351-C370 PolarHBondContact SG-SG 3.21Å; T366-C370 HydrophobicContact CG2-CB 4.06Å; T366-C370 WeakPolarHBondContact O-CA 3.43Å; T366-C370 WeakPolarHBondContact O-CB 3.47Å; T366-C370 PolarHBondContact O-N 3.19Å; C370-Y372 PolarHBondContact O-N 2.78Å; C370-S373 PolarHBondContact O-N 2.76Å; C370-C374 WeakPolarHBondContact O-CB 3.43Å; C370-C374 PolarHBondContact O-N 3.31Å; C370-C374 PolarHBondContact O-SG 3.21Å |
| 371 | Q | 88 | Confident | 85.3 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -37.6 | -172.6 | -66.9 | 178.6 | 32.1 | 0 | 0 | 112.5 | D345 K367 L368 N375 L376 C377 L411 | D345-Q371 PolarHBondContact OD1-N 3.14Å; K367-Q371 VanDerWaalsContact O-CG 3.25Å; K367-Q371 WeakPolarHBondContact O-CG 3.42Å; L368-Q371 WeakPolarHBondContact O-CG 3.34Å; L368-Q371 PolarHBondContact O-NE2 3.27Å; Q371-N375 PolarHBondContact O-N 3.11Å; Q371-L376 PolarHBondContact O-N 3.2Å; Q371-C377 PolarHBondContact O-N 3.17Å; Q371-L411 HydrophobicContact CG-CD2 3.61Å |
| 372 | Y | 89.9 | Confident | 85.3 | Confident | 151 Ų | 151 | 50.4 Ų | 50.4 | 59% | 0.592 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -54.4 | 179.7 | -177.4 | -92.6 | 0 | 0 | 0 | 110.1 | D345 C370 C374 N375 | D345-Y372 WeakPolarHBondContact OD1-CA 3.5Å; D345-Y372 WeakPolarHBondContact OD1-CB 3.05Å; D345-Y372 PolarHBondContact OD1-N 3.16Å; C370-Y372 PolarHBondContact O-N 2.78Å; Y372-C374 VanDerWaalsContact C-N 3.26Å; Y372-C374 PolarHBondContact O-N 3.15Å; Y372-N375 PolarHBondContact O-N 2.77Å |
| 373 | S | 90.2 | Very high | 85.5 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29 | -179.9 | -72.1 | 0 | 0 | 0 | 0 | 113.7 | D345 V355 C370 N375 | D345-S373 PolarHBondContact OD1-N 3.04Å; D345-S373 WeakPolarHBondContact OD2-CB 3.3Å; D345-S373 PolarHBondContact OD2-N 3.04Å; D345-S373 PolarHBondContact OD2-OG 3.35Å; V355-S373 VanDerWaalsContact CG2-CB 3.46Å; C370-S373 PolarHBondContact O-N 2.76Å; S373-N375 VanDerWaalsContact C-N 3.29Å; S373-N375 PolarHBondContact O-N 2.83Å |
| 374 | C | 88.7 | Confident | 85.3 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.5 | 176 | -67.6 | 0 | 0 | 0 | 0 | 113.9 | C360 C370 Y372 L376 | C360-C374 VanDerWaalsContact CA-SG 3.58Å; C360-C374 HydrophobicContact CB-CB 3.64Å; C360-C374 WeakPolarHBondContact CB-SG 3.22Å; C360-C374 WeakPolarHBondContact SG-CA 3.19Å; C360-C374 WeakPolarHBondContact SG-CB 3.21Å; C360-C374 CovalentContact SG-SG 2.04Å; C360-C374 PolarHBondContact SG-SG 2.96Å; C370-C374 WeakPolarHBondContact O-CB 3.43Å; C370-C374 PolarHBondContact O-N 3.31Å; C370-C374 PolarHBondContact O-SG 3.21Å; Y372-C374 VanDerWaalsContact C-N 3.26Å; Y372-C374 PolarHBondContact O-N 3.15Å; C374-L376 VanDerWaalsContact C-N 3.26Å; C374-L376 HydrophobicContact CB-CB 4.48Å; C374-L376 HydrophobicContact CB-CD1 3.63Å; C374-L376 HydrophobicContact CB-CG 3.76Å; C374-L376 PolarHBondContact O-N 3.35Å |
| 375 | N | 88 | Confident | 85.1 | Confident | 138 Ų | 138 | 54.8 Ų | 54.8 | 74% | 0.738 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 43 | -172.1 | -66.7 | -38 | 0 | 0 | 0 | 112.7 | Q371 Y372 S373 | Q371-N375 PolarHBondContact O-N 3.11Å; Y372-N375 PolarHBondContact O-N 2.77Å; S373-N375 VanDerWaalsContact C-N 3.29Å; S373-N375 PolarHBondContact O-N 2.83Å |
| 376 | L | 89 | Confident | 84.5 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | trans | -109.3 | 11.6 | 178.5 | -61.8 | 173.9 | 0 | 0 | 0 | 112.6 | K367 Q371 C374 L411 | K367-L376 HydrophobicContact CB-CD1 3.74Å; K367-L376 HydrophobicContact CG-CD1 3.74Å; Q371-L376 PolarHBondContact O-N 3.2Å; C374-L376 VanDerWaalsContact C-N 3.26Å; C374-L376 HydrophobicContact CB-CB 4.48Å; C374-L376 HydrophobicContact CB-CD1 3.63Å; C374-L376 HydrophobicContact CB-CG 3.76Å; C374-L376 PolarHBondContact O-N 3.35Å; L376-L411 HydrophobicContact CB-CD1 4.37Å; L376-L411 HydrophobicContact CB-CD2 4.11Å; L376-L411 HydrophobicContact CD1-CD1 4.25Å | ||
| 377 | C | 88.2 | Confident | 83.7 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 127.8 | 173 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | C343 Q371 | C343-C377 HydrophobicContact CB-CB 3.67Å; C343-C377 WeakPolarHBondContact CB-SG 3.32Å; C343-C377 WeakPolarHBondContact SG-CA 3.46Å; C343-C377 WeakPolarHBondContact SG-CB 3.21Å; C343-C377 CovalentContact SG-SG 2.01Å; C343-C377 PolarHBondContact SG-SG 3.1Å; Q371-C377 PolarHBondContact O-N 3.17Å |
| 378 | P | 84.4 | Confident | 82.4 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 25% | 0.253 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 153.6 | 173.7 | 23.6 | -31.1 | 0 | 0 | 0 | 111.4 | V382 V383 | P378-V382 HydrophobicContact CB-CB 3.83Å; P378-V382 HydrophobicContact CB-CG1 3.56Å; P378-V383 HydrophobicContact CB-CG2 4.12Å; P378-V383 HydrophobicContact CG-CG2 3.62Å |
| 379 | S | 84.8 | Confident | 81.2 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 157.8 | 172.3 | 72.7 | 0 | 0 | 0 | 0 | 111 | D381 V382 V383 | S379-D381 PolarHBondContact O-N 2.64Å; S379-D381 VanDerWaalsContact O-N 3.13Å; S379-V382 PolarHBondContact O-N 3.4Å; S379-V382 WeakPolarHBondContact OG-CG2 3.39Å; S379-V382 PolarHBondContact OG-N 3.13Å; S379-V383 WeakPolarHBondContact O-CG2 3.07Å; S379-V383 PolarHBondContact O-N 2.86Å |
| 380 | P | 82.4 | Confident | 80.3 | Confident | 107 Ų | 107 | 53.5 Ų | 53.5 | 70% | 0.695 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54 | -34.2 | 177.9 | -28.1 | 36 | 0 | 0 | 0 | 114 | V383 K384 | P380-V383 PolarHBondContact O-N 2.88Å; P380-K384 WeakPolarHBondContact O-CB 3.38Å; P380-K384 PolarHBondContact O-N 3.26Å |
| 381 | D | 81.4 | Confident | 79.9 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.7 | -42.4 | 177.1 | -63.1 | -36.5 | 0 | 0 | 0 | 111.7 | S379 K384 R385 | S379-D381 PolarHBondContact O-N 2.64Å; S379-D381 VanDerWaalsContact O-N 3.13Å; D381-K384 PolarHBondContact O-N 2.88Å; D381-R385 WeakPolarHBondContact O-CB 3.5Å; D381-R385 PolarHBondContact O-N 2.93Å |
| 382 | V | 81.6 | Confident | 79.8 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 174.3 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | P378 S379 R385 Q386 | P378-V382 HydrophobicContact CB-CB 3.83Å; P378-V382 HydrophobicContact CB-CG1 3.56Å; S379-V382 PolarHBondContact O-N 3.4Å; S379-V382 WeakPolarHBondContact OG-CG2 3.39Å; S379-V382 PolarHBondContact OG-N 3.13Å; V382-R385 PolarHBondContact O-N 3.31Å; V382-Q386 HydrophobicContact CG1-CG 4.16Å; V382-Q386 WeakPolarHBondContact O-CB 3.26Å; V382-Q386 VanDerWaalsContact O-CG 3.29Å; V382-Q386 WeakPolarHBondContact O-CG 3.31Å; V382-Q386 PolarHBondContact O-N 2.86Å |
| 383 | V | 78.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | K340 P378 S379 P380 R385 Q386 V387 | K340-V383 HydrophobicContact CB-CG1 4.47Å; P378-V383 HydrophobicContact CB-CG2 4.12Å; P378-V383 HydrophobicContact CG-CG2 3.62Å; S379-V383 WeakPolarHBondContact O-CG2 3.07Å; S379-V383 PolarHBondContact O-N 2.86Å; P380-V383 PolarHBondContact O-N 2.88Å; V383-R385 VanDerWaalsContact C-N 3.31Å; V383-R385 PolarHBondContact O-N 3.2Å; V383-Q386 PolarHBondContact O-N 3.34Å; V383-V387 HydrophobicContact CG1-CG2 4.32Å; V383-V387 WeakPolarHBondContact O-CB 3.34Å; V383-V387 WeakPolarHBondContact O-CG2 3.2Å; V383-V387 PolarHBondContact O-N 3.24Å |
| 384 | K | 76.8 | Confident | 79.3 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 53% | 0.53 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 179.8 | -178 | -177.3 | 172.9 | -171.7 | 0 | 110.7 | P380 D381 V387 E388 | P380-K384 WeakPolarHBondContact O-CB 3.38Å; P380-K384 PolarHBondContact O-N 3.26Å; D381-K384 PolarHBondContact O-N 2.88Å; K384-V387 PolarHBondContact O-N 3.37Å; K384-E388 WeakPolarHBondContact CE-OE1 3.42Å; K384-E388 WeakPolarHBondContact O-CG 3.05Å; K384-E388 PolarHBondContact O-N 3.26Å; K384-E388 VanDerWaalsContact O-N 3.13Å |
| 385 | R | 79.4 | Confident | 79.2 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -58.6 | 175 | -164 | -174.7 | 72.9 | -176.1 | -4.7 | 109.9 | D381 V382 V383 V387 E388 T389 F405 D410 | D381-R385 WeakPolarHBondContact O-CB 3.5Å; D381-R385 PolarHBondContact O-N 2.93Å; V382-R385 PolarHBondContact O-N 3.31Å; V383-R385 VanDerWaalsContact C-N 3.31Å; V383-R385 PolarHBondContact O-N 3.2Å; R385-V387 PolarHBondContact O-N 2.89Å; R385-E388 CarbonylContact O-C 3.58Å; R385-E388 WeakPolarHBondContact O-CA 3.05Å; R385-E388 WeakPolarHBondContact O-CB 3.25Å; R385-E388 PolarHBondContact O-N 3.29Å; R385-T389 VanDerWaalsContact C-CG2 3.46Å; R385-T389 HydrophobicContact CB-CG2 4.5Å; R385-T389 HydrophobicContact CG-CG2 3.75Å; R385-T389 WeakPolarHBondContact O-CB 3.43Å; R385-T389 WeakPolarHBondContact O-CG2 3.18Å; R385-T389 PolarHBondContact O-N 2.87Å; R385-T389 PolarHBondContact O-OG1 2.76Å; R385-F405 VanDerWaalsContact CD-CD2 3.43Å; R385-F405 HydrophobicContact CG-CD2 4.17Å; R385-F405 HydrophobicContact CG-CE2 3.7Å; R385-F405 HydrophobicContact CG-CZ 4.11Å; R385-F405 VanDerWaalsContact NH1-CG 3.27Å; R385-D410 IonicContact CZ-OD2 3.56Å; R385-D410 IonicContact NH2-OD1 3.8Å; R385-D410 PolarHBondContact NH2-OD1 3.07Å; R385-D410 IonicContact NH2-OD2 3.05Å; R385-D410 PolarHBondContact NH2-OD2 3.16Å |
| 386 | Q | 73.3 | Confident | 79.2 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.2 | -30.1 | -177.5 | -76.2 | 177 | -10.3 | 0 | 0 | 115.3 | V382 V383 T389 D410 | V382-Q386 HydrophobicContact CG1-CG 4.16Å; V382-Q386 WeakPolarHBondContact O-CB 3.26Å; V382-Q386 VanDerWaalsContact O-CG 3.29Å; V382-Q386 WeakPolarHBondContact O-CG 3.31Å; V382-Q386 PolarHBondContact O-N 2.86Å; V383-Q386 PolarHBondContact O-N 3.34Å; Q386-T389 WeakPolarHBondContact CA-OG1 3.49Å; Q386-T389 PolarHBondContact O-OG1 2.7Å; Q386-D410 VanDerWaalsContact NE2-CB 3.29Å; Q386-D410 PolarHBondContact NE2-OD1 2.86Å |
| 387 | V | 68.9 | Low | 79.1 | Confident | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.8 | -47.1 | 173.6 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | P338 V383 K384 R385 T389 S390 | P338-V387 HydrophobicContact CB-CG1 3.78Å; P338-V387 VanDerWaalsContact O-CG1 3.3Å; P338-V387 WeakPolarHBondContact O-CG1 3.46Å; V383-V387 HydrophobicContact CG1-CG2 4.32Å; V383-V387 WeakPolarHBondContact O-CB 3.34Å; V383-V387 WeakPolarHBondContact O-CG2 3.2Å; V383-V387 PolarHBondContact O-N 3.24Å; K384-V387 PolarHBondContact O-N 3.37Å; R385-V387 PolarHBondContact O-N 2.89Å; V387-T389 VanDerWaalsContact C-N 3.33Å; V387-S390 PolarHBondContact O-OG 3.32Å |
| 388 | E | 59.3 | Low | 79 | Confident | 90 Ų | 90 | 41.8 Ų | 41.8 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69 | -29 | 178.2 | -70.5 | 171.2 | -176.4 | 0 | 0 | 112.6 | K384 R385 S390 D391 A394 | K384-E388 WeakPolarHBondContact CE-OE1 3.42Å; K384-E388 WeakPolarHBondContact O-CG 3.05Å; K384-E388 PolarHBondContact O-N 3.26Å; K384-E388 VanDerWaalsContact O-N 3.13Å; R385-E388 CarbonylContact O-C 3.58Å; R385-E388 WeakPolarHBondContact O-CA 3.05Å; R385-E388 WeakPolarHBondContact O-CB 3.25Å; R385-E388 PolarHBondContact O-N 3.29Å; E388-S390 PolarHBondContact O-N 2.97Å; E388-D391 WeakPolarHBondContact O-CA 3.36Å; E388-D391 WeakPolarHBondContact O-CB 3.41Å; E388-D391 PolarHBondContact O-N 3.44Å; E388-A394 HydrophobicContact CB-CB 4.5Å |
| 389 | T | 56.8 | Low | 79.1 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -11.4 | -170.7 | 54.3 | 0 | 0 | 0 | 0 | 115.6 | R385 Q386 V387 D391 Y395 F405 | R385-T389 VanDerWaalsContact C-CG2 3.46Å; R385-T389 HydrophobicContact CB-CG2 4.5Å; R385-T389 HydrophobicContact CG-CG2 3.75Å; R385-T389 WeakPolarHBondContact O-CB 3.43Å; R385-T389 WeakPolarHBondContact O-CG2 3.18Å; R385-T389 PolarHBondContact O-N 2.87Å; R385-T389 PolarHBondContact O-OG1 2.76Å; Q386-T389 WeakPolarHBondContact CA-OG1 3.49Å; Q386-T389 PolarHBondContact O-OG1 2.7Å; V387-T389 VanDerWaalsContact C-N 3.33Å; T389-D391 PolarHBondContact O-N 3.12Å; T389-Y395 WeakPolarHBondContact CB-OH 3.33Å; T389-Y395 HydrophobicContact CG2-CD2 4.35Å; T389-Y395 HydrophobicContact CG2-CE1 4.07Å; T389-Y395 HydrophobicContact CG2-CE2 3.38Å; T389-Y395 WeakPolarHBondContact CG2-OH 3.25Å; T389-Y395 VanDerWaalsContact O-CE2 3.29Å; T389-Y395 WeakPolarHBondContact O-CE2 3.39Å; T389-Y395 PolarHBondContact OG1-OH 2.99Å; T389-F405 HydrophobicContact CG2-CE2 4.14Å |
| 390 | S | 67.4 | Low | 79.3 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.2 | 161.6 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | F235 E239 V387 E388 | F235-S390 WeakPolarHBondContact CA-O 3Å; E239-S390 VanDerWaalsContact OE2-CB 3.26Å; E239-S390 WeakPolarHBondContact OE2-CB 3.4Å; V387-S390 PolarHBondContact O-OG 3.32Å; E388-S390 PolarHBondContact O-N 2.97Å |
| 391 | D | 81.4 | Confident | 79.6 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 116 | 170.2 | -164.8 | -24.5 | 0 | 0 | 0 | 111.2 | P233 L234 F235 E388 T389 R393 A394 | P233-D391 WeakPolarHBondContact CA-OD2 3.34Å; L234-D391 PolarHBondContact N-OD1 2.93Å; F235-D391 HydrophobicContact CE1-CB 4.5Å; E388-D391 WeakPolarHBondContact O-CA 3.36Å; E388-D391 WeakPolarHBondContact O-CB 3.41Å; E388-D391 PolarHBondContact O-N 3.44Å; T389-D391 PolarHBondContact O-N 3.12Å; D391-R393 VanDerWaalsContact CG-NE 3.28Å; D391-R393 PolarHBondContact O-N 2.86Å; D391-R393 VanDerWaalsContact O-N 3.14Å; D391-R393 WeakPolarHBondContact OD1-CB 3.49Å; D391-R393 VanDerWaalsContact OD1-CG 3.26Å; D391-R393 WeakPolarHBondContact OD1-CG 3.08Å; D391-R393 IonicContact OD1-CZ 3.33Å; D391-R393 PolarHBondContact OD1-N 3.34Å; D391-R393 IonicContact OD1-NE 3.9Å; D391-R393 PolarHBondContact OD1-NE 3.36Å; D391-R393 IonicContact OD2-CZ 2.7Å; D391-R393 IonicContact OD2-NE 3.78Å; D391-R393 PolarHBondContact OD2-NE 3.25Å; D391-R393 IonicContact OD2-NH2 3.47Å; D391-R393 PolarHBondContact OD2-NH2 3.12Å; D391-A394 PolarHBondContact O-N 2.84Å |
| 392 | V | 85.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.1 | -173.8 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | D211 P212 F213 L234 A394 Y395 L396 | D211-V392 WeakPolarHBondContact OD2-CG2 3.45Å; P212-V392 HydrophobicContact CB-CG1 4.05Å; P212-V392 HydrophobicContact CG-CB 4.4Å; P212-V392 HydrophobicContact CG-CG1 3.63Å; F213-V392 HydrophobicContact CD2-CG1 3.9Å; F213-V392 HydrophobicContact CE2-CG1 3.58Å; L234-V392 HydrophobicContact CB-CB 4.39Å; L234-V392 HydrophobicContact CD2-CB 4.13Å; L234-V392 HydrophobicContact CG-CB 4.14Å; L234-V392 WeakPolarHBondContact O-CB 3.49Å; L234-V392 WeakPolarHBondContact O-CG2 3.29Å; L234-V392 PolarHBondContact O-N 3.33Å; V392-A394 VanDerWaalsContact C-N 3.29Å; V392-A394 PolarHBondContact O-N 2.9Å; V392-Y395 WeakPolarHBondContact O-CB 3.34Å; V392-Y395 PolarHBondContact O-N 2.97Å; V392-L396 HydrophobicContact CG1-CG 4.46Å; V392-L396 PolarHBondContact O-N 3.31Å; V392-L396 VanDerWaalsContact O-N 3.09Å |
| 393 | R | 86.6 | Confident | 80.1 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 176.9 | -65.8 | 178.8 | -61.6 | 159.8 | 8.7 | 112.5 | L229 D230 V232 L234 D391 Y395 L396 E397 | L229-R393 HydrophobicContact CD1-CG 4.24Å; D230-R393 PolarHBondContact O-NH1 3.47Å; V232-R393 VanDerWaalsContact O-CD 3.27Å; V232-R393 WeakPolarHBondContact O-CD 3.29Å; V232-R393 PolarHBondContact O-NE 2.85Å; V232-R393 PolarHBondContact O-NH1 3.43Å; V232-R393 VanDerWaalsContact O-NH1 3.12Å; L234-R393 HydrophobicContact CB-CG 3.86Å; D391-R393 VanDerWaalsContact CG-NE 3.28Å; D391-R393 PolarHBondContact O-N 2.86Å; D391-R393 VanDerWaalsContact O-N 3.14Å; D391-R393 WeakPolarHBondContact OD1-CB 3.49Å; D391-R393 VanDerWaalsContact OD1-CG 3.26Å; D391-R393 WeakPolarHBondContact OD1-CG 3.08Å; D391-R393 IonicContact OD1-CZ 3.33Å; D391-R393 PolarHBondContact OD1-N 3.34Å; D391-R393 IonicContact OD1-NE 3.9Å; D391-R393 PolarHBondContact OD1-NE 3.36Å; D391-R393 IonicContact OD2-CZ 2.7Å; D391-R393 IonicContact OD2-NE 3.78Å; D391-R393 PolarHBondContact OD2-NE 3.25Å; D391-R393 IonicContact OD2-NH2 3.47Å; D391-R393 PolarHBondContact OD2-NH2 3.12Å; R393-Y395 PolarHBondContact O-N 2.88Å; R393-L396 PolarHBondContact O-N 2.04Å; R393-E397 WeakPolarHBondContact O-CG 3.2Å; R393-E397 PolarHBondContact O-N 2.94Å |
| 394 | A | 82.2 | Confident | 80.5 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -33.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | E388 D391 V392 A398 | E388-A394 HydrophobicContact CB-CB 4.5Å; D391-A394 PolarHBondContact O-N 2.84Å; V392-A394 VanDerWaalsContact C-N 3.29Å; V392-A394 PolarHBondContact O-N 2.9Å; A394-A398 WeakPolarHBondContact O-CB 3.21Å; A394-A398 PolarHBondContact O-N 3.46Å |
| 395 | Y | 86.1 | Confident | 81.1 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.9 | -39.6 | 175.9 | -72.3 | -76.4 | 0 | 0 | 0 | 113.8 | T389 V392 R393 E397 A398 Y399 F405 N406 R407 | T389-Y395 WeakPolarHBondContact CB-OH 3.33Å; T389-Y395 HydrophobicContact CG2-CD2 4.35Å; T389-Y395 HydrophobicContact CG2-CE1 4.07Å; T389-Y395 HydrophobicContact CG2-CE2 3.38Å; T389-Y395 WeakPolarHBondContact CG2-OH 3.25Å; T389-Y395 VanDerWaalsContact O-CE2 3.29Å; T389-Y395 WeakPolarHBondContact O-CE2 3.39Å; T389-Y395 PolarHBondContact OG1-OH 2.99Å; V392-Y395 WeakPolarHBondContact O-CB 3.34Å; V392-Y395 PolarHBondContact O-N 2.97Å; R393-Y395 PolarHBondContact O-N 2.88Å; Y395-E397 VanDerWaalsContact C-N 3.26Å; Y395-E397 PolarHBondContact O-N 2.89Å; Y395-A398 PolarHBondContact O-N 3.07Å; Y395-Y399 VanDerWaalsContact O-CB 3.3Å; Y395-Y399 WeakPolarHBondContact O-CB 3.08Å; Y395-Y399 PolarHBondContact O-N 3.28Å; Y395-F405 AromaticContact CD1-CD2 3.82Å; Y395-F405 HydrophobicContact CD1-CD2 3.82Å; Y395-F405 AromaticContact CD1-CE2 3.31Å; Y395-F405 HydrophobicContact CD1-CE2 3.31Å; Y395-F405 AromaticContact CD1-CZ 3.9Å; Y395-F405 HydrophobicContact CD1-CZ 3.9Å; Y395-F405 AromaticContact CE1-CD2 3.13Å; Y395-F405 HydrophobicContact CE1-CD2 3.13Å; Y395-F405 AromaticContact CE1-CE2 2.91Å; Y395-F405 HydrophobicContact CE1-CE2 2.91Å; Y395-F405 HydrophobicContact CE1-CG 4.26Å; Y395-F405 AromaticContact CE1-CZ 3.95Å; Y395-F405 HydrophobicContact CE1-CZ 3.95Å; Y395-F405 HydrophobicContact CG-CE2 4.28Å; Y395-F405 AromaticContact CZ-CD2 3.96Å; Y395-F405 AromaticContact CZ-CE2 3.62Å; Y395-N406 WeakPolarHBondContact CE1-O 3.5Å; Y395-N406 PolarHBondContact OH-O 2.85Å; Y395-R407 HydrophobicContact CD1-CB 4.47Å; Y395-R407 HydrophobicContact CD1-CG 3.27Å; Y395-R407 HydrophobicContact CD2-CG 3.82Å; Y395-R407 HydrophobicContact CE1-CB 3.96Å; Y395-R407 HydrophobicContact CE1-CG 3.18Å; Y395-R407 HydrophobicContact CE2-CB 4.17Å; Y395-R407 HydrophobicContact CE2-CG 3.7Å; Y395-R407 HydrophobicContact CG-CG 3.6Å; Y395-R407 VanDerWaalsContact CZ-CG 3.49Å; Y395-R407 WeakPolarHBondContact OH-CA 3.12Å; Y395-R407 PolarHBondContact OH-O 3.15Å |
| 396 | L | 89.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 174.6 | -67.5 | 172.7 | 0 | 0 | 0 | 110.3 | P212 F213 P221 E224 P225 L234 V392 R393 R400 | P212-L396 HydrophobicContact CB-CD2 4.06Å; P212-L396 HydrophobicContact CG-CD1 4.16Å; F213-L396 HydrophobicContact CE2-CD2 4.25Å; F213-L396 HydrophobicContact CZ-CD2 4.33Å; P221-L396 HydrophobicContact CB-CD2 3.66Å; P221-L396 HydrophobicContact CG-CD2 4.08Å; E224-L396 HydrophobicContact CB-CD2 4.34Å; P225-L396 HydrophobicContact CG-CD1 4.46Å; L234-L396 HydrophobicContact CD2-CD1 4.12Å; V392-L396 HydrophobicContact CG1-CG 4.46Å; V392-L396 PolarHBondContact O-N 3.31Å; V392-L396 VanDerWaalsContact O-N 3.09Å; R393-L396 PolarHBondContact O-N 2.04Å; L396-R400 WeakPolarHBondContact O-CB 2.99Å; L396-R400 WeakPolarHBondContact O-CD 3.05Å; L396-R400 WeakPolarHBondContact O-CG 3.34Å; L396-R400 PolarHBondContact O-N 3.39Å |
| 397 | E | 87.4 | Confident | 82.1 | Confident | 94 Ų | 94 | 40.7 Ų | 40.7 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 173.3 | -72.9 | -179.5 | -165.3 | 0 | 0 | 113.1 | R393 Y395 R400 K401 | R393-E397 WeakPolarHBondContact O-CG 3.2Å; R393-E397 PolarHBondContact O-N 2.94Å; Y395-E397 VanDerWaalsContact C-N 3.26Å; Y395-E397 PolarHBondContact O-N 2.89Å; E397-R400 PolarHBondContact O-N 2.01Å; E397-K401 WeakPolarHBondContact O-CG 3.35Å; E397-K401 PolarHBondContact O-N 2.83Å; E397-K401 VanDerWaalsContact O-N 3.15Å |
| 398 | A | 84.9 | Confident | 82.9 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A394 Y395 R400 K401 G402 D403 F405 | A394-A398 WeakPolarHBondContact O-CB 3.21Å; A394-A398 PolarHBondContact O-N 3.46Å; Y395-A398 PolarHBondContact O-N 3.07Å; A398-R400 VanDerWaalsContact C-N 3.29Å; A398-R400 PolarHBondContact O-N 2.75Å; A398-K401 CarbonylContact O-C 3.59Å; A398-K401 WeakPolarHBondContact O-CA 3.31Å; A398-K401 WeakPolarHBondContact O-CB 3.41Å; A398-K401 PolarHBondContact O-N 3.11Å; A398-G402 PolarHBondContact O-N 3.22Å; A398-G402 VanDerWaalsContact O-N 3.14Å; A398-D403 CarbonylContact C-O 3.51Å; A398-D403 HydrophobicContact CB-CB 4.09Å; A398-D403 PolarHBondContact O-N 3.3Å; A398-F405 HydrophobicContact CB-CD1 4.21Å; A398-F405 HydrophobicContact CB-CE1 3.12Å; A398-F405 HydrophobicContact CB-CZ 3.33Å |
| 399 | Y | 86.7 | Confident | 84.1 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.7 | -45.6 | 175.8 | 170.1 | -103.6 | 0 | 0 | 0 | 111.3 | N220 P221 Y395 K401 G402 | N220-Y399 HydrophobicContact CB-CE2 3.85Å; N220-Y399 WeakPolarHBondContact OD1-CE2 3.37Å; P221-Y399 HydrophobicContact CG-CD1 3.44Å; P221-Y399 VanDerWaalsContact CG-CD1 3.44Å; P221-Y399 HydrophobicContact CG-CD2 4.27Å; P221-Y399 HydrophobicContact CG-CE1 3.46Å; P221-Y399 VanDerWaalsContact CG-CE1 3.46Å; P221-Y399 HydrophobicContact CG-CE2 4.3Å; P221-Y399 HydrophobicContact CG-CG 3.86Å; Y395-Y399 VanDerWaalsContact O-CB 3.3Å; Y395-Y399 WeakPolarHBondContact O-CB 3.08Å; Y395-Y399 PolarHBondContact O-N 3.28Å; Y399-K401 PolarHBondContact O-N 3.17Å; Y399-G402 PolarHBondContact O-N 3.15Å |
| 400 | R | 88.7 | Confident | 85.6 | Confident | 128 Ų | 128 | 41.3 Ų | 41.3 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.6 | -27.8 | 176 | -71.8 | 166.8 | -175.8 | 162.4 | -4.6 | 113.5 | E224 L396 E397 A398 G402 | E224-R400 IonicContact OE2-CZ 2.9Å; E224-R400 VanDerWaalsContact OE2-CZ 3.28Å; E224-R400 IonicContact OE2-NE 3.64Å; E224-R400 PolarHBondContact OE2-NE 3.31Å; E224-R400 IonicContact OE2-NH2 2.86Å; E224-R400 PolarHBondContact OE2-NH2 3.39Å; L396-R400 WeakPolarHBondContact O-CB 2.99Å; L396-R400 WeakPolarHBondContact O-CD 3.05Å; L396-R400 WeakPolarHBondContact O-CG 3.34Å; L396-R400 PolarHBondContact O-N 3.39Å; E397-R400 PolarHBondContact O-N 2.01Å; A398-R400 VanDerWaalsContact C-N 3.29Å; A398-R400 PolarHBondContact O-N 2.75Å; R400-G402 VanDerWaalsContact C-N 3.3Å |
| 401 | K | 89.5 | Confident | 86.5 | Confident | 123 Ų | 123 | 41.4 Ų | 41.4 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -83.3 | -5.7 | 174.6 | -70 | 169.9 | -176.4 | 168.1 | 0 | 112.9 | E397 A398 Y399 D403 R447 | E397-K401 WeakPolarHBondContact O-CG 3.35Å; E397-K401 PolarHBondContact O-N 2.83Å; E397-K401 VanDerWaalsContact O-N 3.15Å; A398-K401 CarbonylContact O-C 3.59Å; A398-K401 WeakPolarHBondContact O-CA 3.31Å; A398-K401 WeakPolarHBondContact O-CB 3.41Å; A398-K401 PolarHBondContact O-N 3.11Å; Y399-K401 PolarHBondContact O-N 3.17Å; K401-D403 VanDerWaalsContact C-N 3.28Å; K401-R447 PolarHBondContact O-NH2 3.23Å |
| 402 | G | 86.7 | Confident | 86.8 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 50% | 0.495 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 13.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A398 Y399 R400 | A398-G402 PolarHBondContact O-N 3.22Å; A398-G402 VanDerWaalsContact O-N 3.14Å; Y399-G402 PolarHBondContact O-N 3.15Å; R400-G402 VanDerWaalsContact C-N 3.3Å |
| 403 | D | 87.1 | Confident | 87.1 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | trans | -84.4 | 141.8 | 175.1 | -58.7 | -33 | 0 | 0 | 0 | 109.2 | A398 K401 F405 | A398-D403 CarbonylContact C-O 3.51Å; A398-D403 HydrophobicContact CB-CB 4.09Å; A398-D403 PolarHBondContact O-N 3.3Å; K401-D403 VanDerWaalsContact C-N 3.28Å; D403-F405 HydrophobicContact CB-CD1 4.46Å; D403-F405 HydrophobicContact CB-CE1 4.32Å | ||
| 404 | C | 87.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | trans | -132.9 | 129.9 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | C440 | C404-C440 HydrophobicContact CB-CB 3.54Å; C404-C440 WeakPolarHBondContact CB-SG 3.46Å; C404-C440 WeakPolarHBondContact SG-CA 3.16Å; C404-C440 WeakPolarHBondContact SG-CB 3.41Å; C404-C440 CovalentContact SG-SG 2.03Å; C404-C440 PolarHBondContact SG-SG 3.42Å | ||
| 405 | F | 87.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | trans | -152 | 165.2 | 179 | 46.4 | -92.6 | 0 | 0 | 0 | 111.8 | R385 T389 Y395 A398 D403 R407 | R385-F405 VanDerWaalsContact CD-CD2 3.43Å; R385-F405 HydrophobicContact CG-CD2 4.17Å; R385-F405 HydrophobicContact CG-CE2 3.7Å; R385-F405 HydrophobicContact CG-CZ 4.11Å; R385-F405 VanDerWaalsContact NH1-CG 3.27Å; T389-F405 HydrophobicContact CG2-CE2 4.14Å; Y395-F405 AromaticContact CD1-CD2 3.82Å; Y395-F405 HydrophobicContact CD1-CD2 3.82Å; Y395-F405 AromaticContact CD1-CE2 3.31Å; Y395-F405 HydrophobicContact CD1-CE2 3.31Å; Y395-F405 AromaticContact CD1-CZ 3.9Å; Y395-F405 HydrophobicContact CD1-CZ 3.9Å; Y395-F405 AromaticContact CE1-CD2 3.13Å; Y395-F405 HydrophobicContact CE1-CD2 3.13Å; Y395-F405 AromaticContact CE1-CE2 2.91Å; Y395-F405 HydrophobicContact CE1-CE2 2.91Å; Y395-F405 HydrophobicContact CE1-CG 4.26Å; Y395-F405 AromaticContact CE1-CZ 3.95Å; Y395-F405 HydrophobicContact CE1-CZ 3.95Å; Y395-F405 HydrophobicContact CG-CE2 4.28Å; Y395-F405 AromaticContact CZ-CD2 3.96Å; Y395-F405 AromaticContact CZ-CE2 3.62Å; A398-F405 HydrophobicContact CB-CD1 4.21Å; A398-F405 HydrophobicContact CB-CE1 3.12Å; A398-F405 HydrophobicContact CB-CZ 3.33Å; D403-F405 HydrophobicContact CB-CD1 4.46Å; D403-F405 HydrophobicContact CB-CE1 4.32Å; F405-R407 PolarHBondContact O-N 3.28Å | ||
| 406 | N | 87.8 | Confident | 87.6 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | trans | -58.4 | 135.1 | 174.4 | -71.6 | -39.6 | 0 | 0 | 0 | 111.2 | Y395 C413 C433 Q435 S436 | Y395-N406 WeakPolarHBondContact CE1-O 3.5Å; Y395-N406 PolarHBondContact OH-O 2.85Å; N406-C413 HydrophobicContact CB-CB 4.18Å; N406-C433 WeakPolarHBondContact OD1-CA 3.4Å; N406-C433 PolarHBondContact OD1-O 2.99Å; N406-Q435 WeakPolarHBondContact OD1-CB 3.31Å; N406-Q435 PolarHBondContact OD1-N 3.14Å; N406-S436 PolarHBondContact ND2-OG 3.4Å; N406-S436 PolarHBondContact OD1-N 3.35Å; N406-S436 PolarHBondContact OD1-OG 2.99Å | ||
| 407 | R | 87.3 | Confident | 87.6 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.038 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -77.1 | -26.5 | 178.5 | -87.1 | -169.5 | 71.3 | -132.6 | 7.8 | 114.7 | D211 Y395 F405 S431 Q432 | D211-R407 IonicContact OD1-CZ 3.41Å; D211-R407 VanDerWaalsContact OD1-CZ 3.3Å; D211-R407 IonicContact OD1-NH1 3.39Å; D211-R407 PolarHBondContact OD1-NH1 2.78Å; D211-R407 IonicContact OD1-NH2 2.61Å; D211-R407 PolarHBondContact OD1-NH2 3.3Å; D211-R407 IonicContact OD2-CZ 3.64Å; D211-R407 IonicContact OD2-NH1 2.78Å; D211-R407 IonicContact OD2-NH2 3.63Å; D211-R407 PolarHBondContact OD2-NH2 3.02Å; Y395-R407 HydrophobicContact CD1-CB 4.47Å; Y395-R407 HydrophobicContact CD1-CG 3.27Å; Y395-R407 HydrophobicContact CD2-CG 3.82Å; Y395-R407 HydrophobicContact CE1-CB 3.96Å; Y395-R407 HydrophobicContact CE1-CG 3.18Å; Y395-R407 HydrophobicContact CE2-CB 4.17Å; Y395-R407 HydrophobicContact CE2-CG 3.7Å; Y395-R407 HydrophobicContact CG-CG 3.6Å; Y395-R407 VanDerWaalsContact CZ-CG 3.49Å; Y395-R407 WeakPolarHBondContact OH-CA 3.12Å; Y395-R407 PolarHBondContact OH-O 3.15Å; F405-R407 PolarHBondContact O-N 3.28Å; R407-S431 WeakPolarHBondContact CB-O 3.35Å; R407-S431 VanDerWaalsContact CD-O 3.26Å; R407-S431 WeakPolarHBondContact CD-O 3.1Å; R407-S431 PolarHBondContact NH1-O 3.37Å; R407-Q432 CarbonylContact C-O 3.28Å; R407-Q432 VanDerWaalsContact CA-O 3.23Å; R407-Q432 WeakPolarHBondContact CA-O 3.5Å; R407-Q432 WeakPolarHBondContact CB-O 3.33Å; R407-Q432 PolarHBondContact N-O 3.5Å; R407-Q432 VanDerWaalsContact NH1-NE2 3.2Å |
| 408 | Y | 85 | Confident | 87.6 | Confident | 79 Ų | 79 | 46.5 Ų | 46.5 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -109.4 | 177.7 | 177.5 | -167.9 | -115.4 | 0 | 0 | 0 | 110.8 | D410 R412 F416 F428 Q432 | Y408-D410 PolarHBondContact O-N 2.93Å; Y408-D410 VanDerWaalsContact O-N 3.11Å; Y408-R412 HydrophobicContact CD1-CB 3.96Å; Y408-R412 HydrophobicContact CE1-CB 3.74Å; Y408-R412 VanDerWaalsContact CE1-CD 3.44Å; Y408-R412 HydrophobicContact CE1-CG 4.22Å; Y408-R412 PolarHBondContact OH-NH1 3.37Å; Y408-F416 HydrophobicContact CD1-CE2 4.1Å; Y408-F416 AromaticContact CE1-CE2 3.8Å; Y408-F416 HydrophobicContact CE1-CE2 3.8Å; Y408-F416 HydrophobicContact CE1-CZ 4.27Å; Y408-F428 HydrophobicContact CD1-CZ 4.4Å; Y408-F428 HydrophobicContact CG-CZ 4.44Å; Y408-Q432 PolarHBondContact N-O 3Å |
| 409 | D | 84.8 | Confident | 87.5 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | trans | -52.3 | 118.6 | 178.3 | 179.6 | -75.7 | 0 | 0 | 0 | 110.7 | K341 L411 R412 C413 | K341-D409 IonicContact NZ-OD2 3.11Å; K341-D409 PolarHBondContact NZ-OD2 2.82Å; D409-L411 VanDerWaalsContact C-N 3.27Å; D409-L411 PolarHBondContact O-N 2.87Å; D409-L411 PolarHBondContact OD1-N 2.83Å; D409-R412 HydrophobicContact CB-CB 4.07Å; D409-R412 HydrophobicContact CB-CG 4.05Å; D409-R412 CarbonylContact O-C 3.6Å; D409-R412 WeakPolarHBondContact O-CA 3.33Å; D409-R412 WeakPolarHBondContact O-CB 2.93Å; D409-R412 PolarHBondContact O-N 3.16Å; D409-R412 WeakPolarHBondContact OD1-CG 3.16Å; D409-R412 PolarHBondContact OD1-N 3.47Å; D409-C413 PolarHBondContact O-N 2.86Å | ||
| 410 | D | 88 | Confident | 87.6 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.2 | -44 | -172.2 | -70.1 | 36.9 | 0 | 0 | 0 | 111.6 | R385 Q386 Y408 C413 E414 | R385-D410 IonicContact CZ-OD2 3.56Å; R385-D410 IonicContact NH2-OD1 3.8Å; R385-D410 PolarHBondContact NH2-OD1 3.07Å; R385-D410 IonicContact NH2-OD2 3.05Å; R385-D410 PolarHBondContact NH2-OD2 3.16Å; Q386-D410 VanDerWaalsContact NE2-CB 3.29Å; Q386-D410 PolarHBondContact NE2-OD1 2.86Å; Y408-D410 PolarHBondContact O-N 2.93Å; Y408-D410 VanDerWaalsContact O-N 3.11Å; D410-C413 WeakPolarHBondContact O-CB 3.4Å; D410-C413 PolarHBondContact O-N 3.28Å; D410-E414 WeakPolarHBondContact O-CB 3.1Å; D410-E414 PolarHBondContact O-N 3.17Å |
| 411 | L | 86.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.9 | -38.1 | -178.2 | -174.7 | 63.8 | 0 | 0 | 0 | 110.7 | K367 L368 Q371 L376 D409 E414 V415 | K367-L411 WeakPolarHBondContact O-CD2 3.5Å; L368-L411 HydrophobicContact CD2-CB 4.35Å; L368-L411 HydrophobicContact CD2-CD2 4.12Å; L368-L411 HydrophobicContact CD2-CG 3.9Å; Q371-L411 HydrophobicContact CG-CD2 3.61Å; L376-L411 HydrophobicContact CB-CD1 4.37Å; L376-L411 HydrophobicContact CB-CD2 4.11Å; L376-L411 HydrophobicContact CD1-CD1 4.25Å; D409-L411 VanDerWaalsContact C-N 3.27Å; D409-L411 PolarHBondContact O-N 2.87Å; D409-L411 PolarHBondContact OD1-N 2.83Å; L411-E414 PolarHBondContact O-N 3.3Å; L411-V415 WeakPolarHBondContact O-CB 3.01Å; L411-V415 VanDerWaalsContact O-CG2 3.29Å; L411-V415 WeakPolarHBondContact O-CG2 3.37Å; L411-V415 PolarHBondContact O-N 3.18Å |
| 412 | R | 88.2 | Confident | 87.5 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 18% | 0.177 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 170.4 | -69.2 | -177.1 | -178.4 | -168.5 | 0.2 | 111.4 | D311 L368 Y408 D409 E414 V415 F416 | D311-R412 IonicContact OD1-CZ 2.73Å; D311-R412 IonicContact OD1-NH2 3.55Å; D311-R412 PolarHBondContact OD1-NH2 3.38Å; L368-R412 HydrophobicContact CD1-CG 4.19Å; L368-R412 HydrophobicContact CD2-CB 4.28Å; L368-R412 HydrophobicContact CD2-CG 3.46Å; L368-R412 VanDerWaalsContact CD2-CG 3.46Å; L368-R412 HydrophobicContact CG-CG 4.48Å; Y408-R412 HydrophobicContact CD1-CB 3.96Å; Y408-R412 HydrophobicContact CE1-CB 3.74Å; Y408-R412 VanDerWaalsContact CE1-CD 3.44Å; Y408-R412 HydrophobicContact CE1-CG 4.22Å; Y408-R412 PolarHBondContact OH-NH1 3.37Å; D409-R412 HydrophobicContact CB-CB 4.07Å; D409-R412 HydrophobicContact CB-CG 4.05Å; D409-R412 CarbonylContact O-C 3.6Å; D409-R412 WeakPolarHBondContact O-CA 3.33Å; D409-R412 WeakPolarHBondContact O-CB 2.93Å; D409-R412 PolarHBondContact O-N 3.16Å; D409-R412 WeakPolarHBondContact OD1-CG 3.16Å; D409-R412 PolarHBondContact OD1-N 3.47Å; R412-E414 VanDerWaalsContact C-N 3.33Å; R412-E414 PolarHBondContact O-N 3.02Å; R412-V415 PolarHBondContact O-N 3.39Å; R412-F416 HydrophobicContact CB-CE2 4.06Å; R412-F416 HydrophobicContact CB-CZ 4.02Å; R412-F416 WeakPolarHBondContact O-CB 3.16Å; R412-F416 WeakPolarHBondContact O-CD1 3.34Å; R412-F416 WeakPolarHBondContact O-CD2 3.23Å; R412-F416 WeakPolarHBondContact O-CG 3.47Å; R412-F416 PolarHBondContact O-N 3.17Å |
| 413 | C | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 177 | -76.7 | 0 | 0 | 0 | 0 | 112.6 | N406 D409 D410 F416 A417 Q432 C433 S436 | N406-C413 HydrophobicContact CB-CB 4.18Å; D409-C413 PolarHBondContact O-N 2.86Å; D410-C413 WeakPolarHBondContact O-CB 3.4Å; D410-C413 PolarHBondContact O-N 3.28Å; C413-F416 PolarHBondContact O-N 2.75Å; C413-A417 VanDerWaalsContact O-CB 3.32Å; C413-A417 WeakPolarHBondContact O-CB 3.12Å; C413-A417 PolarHBondContact O-N 3.36Å; C413-Q432 PolarHBondContact SG-O 3.19Å; C413-Q432 VanDerWaalsContact SG-O 3.38Å; C413-C433 WeakPolarHBondContact CA-SG 3.26Å; C413-C433 HydrophobicContact CB-CB 3.54Å; C413-C433 WeakPolarHBondContact CB-SG 3.44Å; C413-C433 WeakPolarHBondContact SG-CA 3.42Å; C413-C433 WeakPolarHBondContact SG-CB 3.46Å; C413-C433 CovalentContact SG-SG 2.04Å; C413-C433 PolarHBondContact SG-SG 3.34Å; C413-S436 WeakPolarHBondContact CB-OG 3.41Å; C413-S436 WeakPolarHBondContact O-CB 3.27Å |
| 414 | E | 90.5 | Very high | 87.5 | Confident | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -51.6 | 173.1 | -175.7 | -179.8 | 176.2 | 0 | 0 | 110.7 | D410 L411 R412 F416 A417 E418 S436 | D410-E414 WeakPolarHBondContact O-CB 3.1Å; D410-E414 PolarHBondContact O-N 3.17Å; L411-E414 PolarHBondContact O-N 3.3Å; R412-E414 VanDerWaalsContact C-N 3.33Å; R412-E414 PolarHBondContact O-N 3.02Å; E414-F416 VanDerWaalsContact C-N 3.29Å; E414-F416 PolarHBondContact O-N 3.15Å; E414-A417 PolarHBondContact O-N 2.92Å; E414-E418 WeakPolarHBondContact O-CB 3.23Å; E414-E418 WeakPolarHBondContact O-CG 3.25Å; E414-E418 PolarHBondContact O-N 3.15Å; E414-S436 PolarHBondContact N-OG 2.01Å |
| 415 | V | 88.1 | Confident | 87.1 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | K367 L368 L411 R412 R419 | K367-V415 HydrophobicContact CB-CG2 4.11Å; K367-V415 HydrophobicContact CD-CG2 3.96Å; L368-V415 HydrophobicContact CD1-CG1 4.37Å; L368-V415 HydrophobicContact CD2-CG2 4.37Å; L368-V415 HydrophobicContact CG-CG2 4.24Å; L411-V415 WeakPolarHBondContact O-CB 3.01Å; L411-V415 VanDerWaalsContact O-CG2 3.29Å; L411-V415 WeakPolarHBondContact O-CG2 3.37Å; L411-V415 PolarHBondContact O-N 3.18Å; R412-V415 PolarHBondContact O-N 3.39Å; V415-R419 WeakPolarHBondContact O-CB 3.39Å; V415-R419 PolarHBondContact O-N 3.25Å; V415-R419 VanDerWaalsContact O-N 3.13Å |
| 416 | F | 87.4 | Confident | 87 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 18% | 0.18 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 176.8 | -62.9 | -16.3 | 0 | 0 | 0 | 111.5 | Y408 R412 C413 E414 R419 G420 D421 F428 M429 | Y408-F416 HydrophobicContact CD1-CE2 4.1Å; Y408-F416 AromaticContact CE1-CE2 3.8Å; Y408-F416 HydrophobicContact CE1-CE2 3.8Å; Y408-F416 HydrophobicContact CE1-CZ 4.27Å; R412-F416 HydrophobicContact CB-CE2 4.06Å; R412-F416 HydrophobicContact CB-CZ 4.02Å; R412-F416 WeakPolarHBondContact O-CB 3.16Å; R412-F416 WeakPolarHBondContact O-CD1 3.34Å; R412-F416 WeakPolarHBondContact O-CD2 3.23Å; R412-F416 WeakPolarHBondContact O-CG 3.47Å; R412-F416 PolarHBondContact O-N 3.17Å; C413-F416 PolarHBondContact O-N 2.75Å; E414-F416 VanDerWaalsContact C-N 3.29Å; E414-F416 PolarHBondContact O-N 3.15Å; F416-R419 WeakPolarHBondContact O-CB 3.46Å; F416-R419 PolarHBondContact O-N 3.23Å; F416-G420 PolarHBondContact O-N 2.02Å; F416-D421 HydrophobicContact CB-CB 3.98Å; F416-D421 WeakPolarHBondContact O-CB 3.45Å; F416-D421 PolarHBondContact O-N 2.95Å; F416-F428 HydrophobicContact CD2-CE1 4.2Å; F416-F428 HydrophobicContact CE2-CE1 4.2Å; F416-M429 HydrophobicContact CB-CE 3.69Å; F416-M429 HydrophobicContact CB-SD 3.91Å; F416-M429 HydrophobicContact CD2-SD 4.31Å |
| 417 | A | 89.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 19% | 0.19 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | C413 E414 R419 G420 C422 M429 S436 | C413-A417 VanDerWaalsContact O-CB 3.32Å; C413-A417 WeakPolarHBondContact O-CB 3.12Å; C413-A417 PolarHBondContact O-N 3.36Å; E414-A417 PolarHBondContact O-N 2.92Å; A417-R419 PolarHBondContact O-N 3.37Å; A417-G420 WeakPolarHBondContact O-CA 3.18Å; A417-G420 PolarHBondContact O-N 3.15Å; A417-C422 VanDerWaalsContact CB-SG 3.6Å; A417-M429 HydrophobicContact CB-CE 4.31Å; A417-S436 WeakPolarHBondContact CB-O 3.24Å |
| 418 | E | 86.8 | Confident | 86.6 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -33.7 | 174.7 | -73.7 | 179.9 | 165.7 | 0 | 0 | 112.6 | K367 E414 G420 | K367-E418 IonicContact NZ-OE1 3.35Å; K367-E418 PolarHBondContact NZ-OE1 3.13Å; K367-E418 IonicContact NZ-OE2 2.73Å; K367-E418 PolarHBondContact NZ-OE2 2.94Å; E414-E418 WeakPolarHBondContact O-CB 3.23Å; E414-E418 WeakPolarHBondContact O-CG 3.25Å; E414-E418 PolarHBondContact O-N 3.15Å; E418-G420 PolarHBondContact O-N 3.38Å |
| 419 | R | 83.5 | Confident | 86.8 | Confident | 171 Ų | 171 | 56.6 Ų | 56.6 | 65% | 0.645 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -10.6 | 175.9 | -163.9 | 175.6 | 71.3 | 172.3 | -3 | 113.3 | V415 F416 A417 D421 | V415-R419 WeakPolarHBondContact O-CB 3.39Å; V415-R419 PolarHBondContact O-N 3.25Å; V415-R419 VanDerWaalsContact O-N 3.13Å; F416-R419 WeakPolarHBondContact O-CB 3.46Å; F416-R419 PolarHBondContact O-N 3.23Å; A417-R419 PolarHBondContact O-N 3.37Å; R419-D421 IonicContact CZ-OD1 2.91Å; R419-D421 IonicContact CZ-OD2 2.74Å; R419-D421 IonicContact NE-OD1 3.48Å; R419-D421 PolarHBondContact NE-OD1 3.3Å; R419-D421 IonicContact NE-OD2 4Å; R419-D421 IonicContact NH2-OD1 2.79Å; R419-D421 PolarHBondContact NH2-OD1 3.07Å; R419-D421 IonicContact NH2-OD2 2.65Å; R419-D421 PolarHBondContact NH2-OD2 3.48Å |
| 420 | G | 87 | Confident | 86.9 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 27% | 0.268 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 12.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F416 A417 E418 C422 R423 T424 | F416-G420 PolarHBondContact O-N 2.02Å; A417-G420 WeakPolarHBondContact O-CA 3.18Å; A417-G420 PolarHBondContact O-N 3.15Å; E418-G420 PolarHBondContact O-N 3.38Å; G420-C422 PolarHBondContact O-N 3.45Å; G420-C422 VanDerWaalsContact O-N 3.16Å; G420-R423 PolarHBondContact O-N 3.14Å; G420-T424 PolarHBondContact O-N 3.22Å |
| 421 | D | 87.3 | Confident | 86.8 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -25.2 | -175.3 | -72.4 | 24.4 | 0 | 0 | 0 | 112.3 | F416 R419 R423 T424 N425 M429 | F416-D421 HydrophobicContact CB-CB 3.98Å; F416-D421 WeakPolarHBondContact O-CB 3.45Å; F416-D421 PolarHBondContact O-N 2.95Å; R419-D421 IonicContact CZ-OD1 2.91Å; R419-D421 IonicContact CZ-OD2 2.74Å; R419-D421 IonicContact NE-OD1 3.48Å; R419-D421 PolarHBondContact NE-OD1 3.3Å; R419-D421 IonicContact NE-OD2 4Å; R419-D421 IonicContact NH2-OD1 2.79Å; R419-D421 PolarHBondContact NH2-OD1 3.07Å; R419-D421 IonicContact NH2-OD2 2.65Å; R419-D421 PolarHBondContact NH2-OD2 3.48Å; D421-R423 PolarHBondContact O-N 3.43Å; D421-R423 VanDerWaalsContact O-N 3.11Å; D421-T424 WeakPolarHBondContact CA-OG1 3.44Å; D421-T424 PolarHBondContact O-N 2.91Å; D421-N425 CarbonylContact O-C 3.52Å; D421-N425 WeakPolarHBondContact O-CA 3.28Å; D421-N425 PolarHBondContact O-N 3.29Å; D421-M429 HydrophobicContact CB-CE 4.25Å; D421-M429 HydrophobicContact CB-CG 4.03Å; D421-M429 HydrophobicContact CB-SD 3.88Å; D421-M429 WeakPolarHBondContact O-CG 3.38Å |
| 422 | C | 89.2 | Confident | 86.9 | Confident | 37 Ų | 37 | 56 Ų | 56 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.2 | -31.5 | 173 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | A417 G420 C437 | A417-C422 VanDerWaalsContact CB-SG 3.6Å; G420-C422 PolarHBondContact O-N 3.45Å; G420-C422 VanDerWaalsContact O-N 3.16Å; C422-C437 VanDerWaalsContact CA-SG 3.56Å; C422-C437 HydrophobicContact CB-CB 3.81Å; C422-C437 WeakPolarHBondContact CB-SG 3.42Å; C422-C437 WeakPolarHBondContact SG-CA 3.35Å; C422-C437 WeakPolarHBondContact SG-CB 3.17Å; C422-C437 CovalentContact SG-SG 2.03Å; C422-C437 PolarHBondContact SG-SG 3.1Å |
| 423 | R | 88.8 | Confident | 87 | Confident | 227 Ų | 227 | 53.8 Ų | 53.8 | 86% | 0.857 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -93 | -39.3 | 177.6 | -62.1 | -178.1 | -177.7 | -179.7 | 0.6 | 112.4 | G420 D421 | G420-R423 PolarHBondContact O-N 3.14Å; D421-R423 PolarHBondContact O-N 3.43Å; D421-R423 VanDerWaalsContact O-N 3.11Å |
| 424 | T | 84.6 | Confident | 87 | Confident | 101 Ų | 101 | 54 Ų | 54 | 62% | 0.62 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -87.4 | -15.8 | -173.6 | 61.2 | 0 | 0 | 0 | 0 | 114 | G420 D421 | G420-T424 PolarHBondContact O-N 3.22Å; D421-T424 WeakPolarHBondContact CA-OG1 3.44Å; D421-T424 PolarHBondContact O-N 2.91Å |
| 425 | N | 80.3 | Confident | 87 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -141.2 | 55.6 | -179.5 | -169.7 | 13 | 0 | 0 | 0 | 111.4 | D421 G427 F428 M429 | D421-N425 CarbonylContact O-C 3.52Å; D421-N425 WeakPolarHBondContact O-CA 3.28Å; D421-N425 PolarHBondContact O-N 3.29Å; N425-G427 VanDerWaalsContact C-N 3.33Å; N425-G427 PolarHBondContact O-N 2.86Å; N425-F428 VanDerWaalsContact ND2-CB 3.33Å; N425-F428 WeakPolarHBondContact ND2-CB 3.4Å; N425-F428 PolarHBondContact O-N 3.21Å; N425-F428 WeakPolarHBondContact OD1-CB 3.45Å; N425-M429 HydrophobicContact CB-CG 4.48Å; N425-M429 WeakPolarHBondContact O-CB 3.18Å; N425-M429 VanDerWaalsContact O-CG 3.27Å; N425-M429 WeakPolarHBondContact O-CG 3.05Å; N425-M429 PolarHBondContact O-N 3.49Å |
| 426 | P | 85 | Confident | 87.2 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | -168.4 | 24.4 | -34.5 | 0 | 0 | 0 | 113 | M429 S430 | P426-M429 PolarHBondContact O-N 2.84Å; P426-S430 VanDerWaalsContact O-CB 3.31Å; P426-S430 WeakPolarHBondContact O-CB 3.35Å; P426-S430 PolarHBondContact O-N 3.37Å; P426-S430 PolarHBondContact O-OG 3.31Å; P426-S430 VanDerWaalsContact O-OG 3.08Å |
| 427 | G | 81.6 | Confident | 87.4 | Confident | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N425 S430 S431 | N425-G427 VanDerWaalsContact C-N 3.33Å; N425-G427 PolarHBondContact O-N 2.86Å; G427-S430 PolarHBondContact O-OG 2.82Å; G427-S431 WeakPolarHBondContact O-CB 2.97Å; G427-S431 PolarHBondContact O-N 3.33Å; G427-S431 PolarHBondContact O-OG 3.02Å |
| 428 | F | 85.3 | Confident | 87.4 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.8 | -46 | 172 | 178.1 | -91.5 | 0 | 0 | 0 | 110 | Y408 F416 N425 S430 S431 Q432 | Y408-F428 HydrophobicContact CD1-CZ 4.4Å; Y408-F428 HydrophobicContact CG-CZ 4.44Å; F416-F428 HydrophobicContact CD2-CE1 4.2Å; F416-F428 HydrophobicContact CE2-CE1 4.2Å; N425-F428 VanDerWaalsContact ND2-CB 3.33Å; N425-F428 WeakPolarHBondContact ND2-CB 3.4Å; N425-F428 PolarHBondContact O-N 3.21Å; N425-F428 WeakPolarHBondContact OD1-CB 3.45Å; F428-S430 PolarHBondContact O-N 2.79Å; F428-S431 PolarHBondContact O-N 3.25Å; F428-S431 PolarHBondContact O-OG 3.36Å; F428-S431 VanDerWaalsContact O-OG 3.12Å; F428-Q432 HydrophobicContact CD1-CB 4.14Å; F428-Q432 HydrophobicContact CD2-CB 4.29Å; F428-Q432 HydrophobicContact CD2-CG 3.8Å; F428-Q432 HydrophobicContact CE1-CB 3.82Å; F428-Q432 HydrophobicContact CE1-CG 4.33Å; F428-Q432 HydrophobicContact CE2-CB 4Å; F428-Q432 HydrophobicContact CE2-CG 3.58Å; F428-Q432 HydrophobicContact CG-CB 4.37Å; F428-Q432 HydrophobicContact CG-CG 4.28Å; F428-Q432 HydrophobicContact CZ-CB 3.74Å; F428-Q432 HydrophobicContact CZ-CG 3.86Å; F428-Q432 WeakPolarHBondContact O-CA 3.4Å; F428-Q432 WeakPolarHBondContact O-CB 3.38Å; F428-Q432 PolarHBondContact O-N 2.6Å |
| 429 | M | 88.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | -174 | -65.8 | -58.3 | -70.3 | 0 | 0 | 112.9 | F416 A417 D421 N425 P426 C433 T434 C437 | F416-M429 HydrophobicContact CB-CE 3.69Å; F416-M429 HydrophobicContact CB-SD 3.91Å; F416-M429 HydrophobicContact CD2-SD 4.31Å; A417-M429 HydrophobicContact CB-CE 4.31Å; D421-M429 HydrophobicContact CB-CE 4.25Å; D421-M429 HydrophobicContact CB-CG 4.03Å; D421-M429 HydrophobicContact CB-SD 3.88Å; D421-M429 WeakPolarHBondContact O-CG 3.38Å; N425-M429 HydrophobicContact CB-CG 4.48Å; N425-M429 WeakPolarHBondContact O-CB 3.18Å; N425-M429 VanDerWaalsContact O-CG 3.27Å; N425-M429 WeakPolarHBondContact O-CG 3.05Å; N425-M429 PolarHBondContact O-N 3.49Å; P426-M429 PolarHBondContact O-N 2.84Å; M429-C433 HydrophobicContact CE-CB 3.43Å; M429-C433 VanDerWaalsContact CE-CB 3.43Å; M429-C433 CarbonylContact O-C 3.56Å; M429-C433 VanDerWaalsContact O-CA 3.24Å; M429-C433 WeakPolarHBondContact O-CA 3.5Å; M429-C433 PolarHBondContact O-N 2.7Å; M429-C433 HydrophobicContact SD-CB 3.88Å; M429-T434 PolarHBondContact O-N 3Å; M429-C437 VanDerWaalsContact CB-SG 3.57Å; M429-C437 WeakPolarHBondContact CE-SG 3.47Å |
| 430 | S | 87.1 | Confident | 87.6 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 173.4 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | T216 G219 P426 G427 F428 T434 | T216-S430 PolarHBondContact O-OG 2.91Å; G219-S430 WeakPolarHBondContact CA-O 3.47Å; P426-S430 VanDerWaalsContact O-CB 3.31Å; P426-S430 WeakPolarHBondContact O-CB 3.35Å; P426-S430 PolarHBondContact O-N 3.37Å; P426-S430 PolarHBondContact O-OG 3.31Å; P426-S430 VanDerWaalsContact O-OG 3.08Å; G427-S430 PolarHBondContact O-OG 2.82Å; F428-S430 PolarHBondContact O-N 2.79Å; S430-T434 PolarHBondContact O-OG1 2.9Å |
| 431 | S | 87 | Confident | 87.2 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -85.4 | -22.1 | -178.2 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | F213 R407 G427 F428 | F213-S431 WeakPolarHBondContact O-CB 3.47Å; R407-S431 WeakPolarHBondContact CB-O 3.35Å; R407-S431 VanDerWaalsContact CD-O 3.26Å; R407-S431 WeakPolarHBondContact CD-O 3.1Å; R407-S431 PolarHBondContact NH1-O 3.37Å; G427-S431 WeakPolarHBondContact O-CB 2.97Å; G427-S431 PolarHBondContact O-N 3.33Å; G427-S431 PolarHBondContact O-OG 3.02Å; F428-S431 PolarHBondContact O-N 3.25Å; F428-S431 PolarHBondContact O-OG 3.36Å; F428-S431 VanDerWaalsContact O-OG 3.12Å |
| 432 | Q | 88.2 | Confident | 86 | Confident | 30 Ų | 30 | 58 Ų | 58 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -123.1 | -25.9 | -172 | -62.4 | -58.9 | -41.7 | 0 | 0 | 114.2 | R407 Y408 C413 F428 | R407-Q432 CarbonylContact C-O 3.28Å; R407-Q432 VanDerWaalsContact CA-O 3.23Å; R407-Q432 WeakPolarHBondContact CA-O 3.5Å; R407-Q432 WeakPolarHBondContact CB-O 3.33Å; R407-Q432 PolarHBondContact N-O 3.5Å; R407-Q432 VanDerWaalsContact NH1-NE2 3.2Å; Y408-Q432 PolarHBondContact N-O 3Å; C413-Q432 PolarHBondContact SG-O 3.19Å; C413-Q432 VanDerWaalsContact SG-O 3.38Å; F428-Q432 HydrophobicContact CD1-CB 4.14Å; F428-Q432 HydrophobicContact CD2-CB 4.29Å; F428-Q432 HydrophobicContact CD2-CG 3.8Å; F428-Q432 HydrophobicContact CE1-CB 3.82Å; F428-Q432 HydrophobicContact CE1-CG 4.33Å; F428-Q432 HydrophobicContact CE2-CB 4Å; F428-Q432 HydrophobicContact CE2-CG 3.58Å; F428-Q432 HydrophobicContact CG-CB 4.37Å; F428-Q432 HydrophobicContact CG-CG 4.28Å; F428-Q432 HydrophobicContact CZ-CB 3.74Å; F428-Q432 HydrophobicContact CZ-CG 3.86Å; F428-Q432 WeakPolarHBondContact O-CA 3.4Å; F428-Q432 WeakPolarHBondContact O-CB 3.38Å; F428-Q432 PolarHBondContact O-N 2.6Å |
| 433 | C | 90.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -135.2 | 39.6 | -171.4 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | N406 C413 M429 Q435 S436 C437 | N406-C433 WeakPolarHBondContact OD1-CA 3.4Å; N406-C433 PolarHBondContact OD1-O 2.99Å; C413-C433 WeakPolarHBondContact CA-SG 3.26Å; C413-C433 HydrophobicContact CB-CB 3.54Å; C413-C433 WeakPolarHBondContact CB-SG 3.44Å; C413-C433 WeakPolarHBondContact SG-CA 3.42Å; C413-C433 WeakPolarHBondContact SG-CB 3.46Å; C413-C433 CovalentContact SG-SG 2.04Å; C413-C433 PolarHBondContact SG-SG 3.34Å; M429-C433 HydrophobicContact CE-CB 3.43Å; M429-C433 VanDerWaalsContact CE-CB 3.43Å; M429-C433 CarbonylContact O-C 3.56Å; M429-C433 VanDerWaalsContact O-CA 3.24Å; M429-C433 WeakPolarHBondContact O-CA 3.5Å; M429-C433 PolarHBondContact O-N 2.7Å; M429-C433 HydrophobicContact SD-CB 3.88Å; C433-Q435 VanDerWaalsContact C-N 3.3Å; C433-Q435 PolarHBondContact O-N 3.46Å; C433-S436 PolarHBondContact O-N 3.2Å; C433-C437 PolarHBondContact O-N 3.24Å | ||
| 434 | T | 90.5 | Very high | 82 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -45.2 | -173.9 | -42.7 | 0 | 0 | 0 | 0 | 112 | M429 S430 C437 G438 L439 | M429-T434 PolarHBondContact O-N 3Å; S430-T434 PolarHBondContact O-OG1 2.9Å; T434-C437 PolarHBondContact O-N 3.48Å; T434-G438 PolarHBondContact O-N 3.35Å; T434-L439 HydrophobicContact CG2-CB 3.57Å; T434-L439 WeakPolarHBondContact O-CB 2.9Å; T434-L439 PolarHBondContact O-N 3.03Å |
| 435 | Q | 91 | Very high | 79.6 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -47.2 | -179.9 | -176.6 | 179.1 | 33.5 | 0 | 0 | 112.1 | N406 C433 C437 G438 C440 | N406-Q435 WeakPolarHBondContact OD1-CB 3.31Å; N406-Q435 PolarHBondContact OD1-N 3.14Å; C433-Q435 VanDerWaalsContact C-N 3.3Å; C433-Q435 PolarHBondContact O-N 3.46Å; Q435-C437 PolarHBondContact O-N 3.46Å; Q435-G438 PolarHBondContact O-N 2.95Å; Q435-C440 VanDerWaalsContact CA-SG 3.54Å |
| 436 | S | 92.2 | Very high | 77.5 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 25% | 0.245 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.8 | 178.8 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | N406 C413 E414 A417 C433 | N406-S436 PolarHBondContact ND2-OG 3.4Å; N406-S436 PolarHBondContact OD1-N 3.35Å; N406-S436 PolarHBondContact OD1-OG 2.99Å; C413-S436 WeakPolarHBondContact CB-OG 3.41Å; C413-S436 WeakPolarHBondContact O-CB 3.27Å; E414-S436 PolarHBondContact N-OG 2.01Å; A417-S436 WeakPolarHBondContact CB-O 3.24Å; C433-S436 PolarHBondContact O-N 3.2Å |
| 437 | C | 91.3 | Very high | 74.8 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4 | 173.9 | -67.2 | 0 | 0 | 0 | 0 | 114.8 | C422 M429 C433 T434 Q435 L439 | C422-C437 VanDerWaalsContact CA-SG 3.56Å; C422-C437 HydrophobicContact CB-CB 3.81Å; C422-C437 WeakPolarHBondContact CB-SG 3.42Å; C422-C437 WeakPolarHBondContact SG-CA 3.35Å; C422-C437 WeakPolarHBondContact SG-CB 3.17Å; C422-C437 CovalentContact SG-SG 2.03Å; C422-C437 PolarHBondContact SG-SG 3.1Å; M429-C437 VanDerWaalsContact CB-SG 3.57Å; M429-C437 WeakPolarHBondContact CE-SG 3.47Å; C433-C437 PolarHBondContact O-N 3.24Å; T434-C437 PolarHBondContact O-N 3.48Å; Q435-C437 PolarHBondContact O-N 3.46Å; C437-L439 VanDerWaalsContact C-N 3.28Å; C437-L439 HydrophobicContact CB-CD1 4.12Å; C437-L439 HydrophobicContact CB-CG 4.12Å; C437-L439 PolarHBondContact O-N 3.3Å |
| 438 | G | 89.6 | Confident | 72.5 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 30.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T434 Q435 | T434-G438 PolarHBondContact O-N 3.35Å; Q435-G438 PolarHBondContact O-N 2.95Å |
| 439 | L | 88.3 | Confident | 69.8 | Low | 71 Ų | 71 | 81.8 Ų | 81.8 | 37% | 0.372 | 45% | 0.447 | S | S | . | . | trans | -94.6 | -0.5 | 178.2 | -64.5 | 173.2 | 0 | 0 | 0 | 112.6 | T434 C437 | T434-L439 HydrophobicContact CG2-CB 3.57Å; T434-L439 WeakPolarHBondContact O-CB 2.9Å; T434-L439 PolarHBondContact O-N 3.03Å; C437-L439 VanDerWaalsContact C-N 3.28Å; C437-L439 HydrophobicContact CB-CD1 4.12Å; C437-L439 HydrophobicContact CB-CG 4.12Å; C437-L439 PolarHBondContact O-N 3.3Å | ||
| 440 | C | 87.5 | Confident | 67 | Low | 32 Ų | 32 | 84.9 Ų | 84.9 | 22% | 0.216 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -67.7 | 136.7 | 171.6 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | C404 Q435 D442 | C404-C440 HydrophobicContact CB-CB 3.54Å; C404-C440 WeakPolarHBondContact CB-SG 3.46Å; C404-C440 WeakPolarHBondContact SG-CA 3.16Å; C404-C440 WeakPolarHBondContact SG-CB 3.41Å; C404-C440 CovalentContact SG-SG 2.03Å; C404-C440 PolarHBondContact SG-SG 3.42Å; Q435-C440 VanDerWaalsContact CA-SG 3.54Å; C440-D442 PolarHBondContact O-N 2.85Å |
| 441 | P | 76.7 | Confident | 64.1 | Low | 80 Ų | 80 | 90.3 Ų | 90.3 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | trans | -62.2 | 137.3 | 176.1 | 24.5 | -31.7 | 0 | 0 | 0 | 110.6 | V443 | P441-V443 PolarHBondContact O-N 2.72Å; P441-V443 VanDerWaalsContact O-N 3.07Å | ||
| 442 | D | 63.4 | Low | 61.4 | Low | 158 Ų | 158 | 99.9 Ų | 99.9 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | trans | -63.4 | 109.1 | 175.8 | -68.6 | -43.3 | 0 | 0 | 0 | 109.8 | C440 E444 | C440-D442 PolarHBondContact O-N 2.85Å; D442-E444 VanDerWaalsContact C-N 3.26Å; D442-E444 PolarHBondContact O-N 2.99Å | ||
| 443 | V | 52.4 | Low | 58.5 | Low | 123 Ų | 123 | 104.8 Ų | 104.8 | 75% | 0.745 | 58% | 0.584 | S | S | * | * | trans | -78 | 76.3 | 179.5 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | P441 | P441-V443 PolarHBondContact O-N 2.72Å; P441-V443 VanDerWaalsContact O-N 3.07Å | ||
| 444 | E | 41.5 | Very low | 55.4 | Low | 170 Ų | 170 | 113.8 Ų | 113.8 | 79% | 0.794 | 63% | 0.626 | S | S | * | * | trans | -110.3 | 7.2 | 179.5 | -121.6 | -179.8 | -164.8 | 0 | 0 | 115.5 | D442 | D442-E444 VanDerWaalsContact C-N 3.26Å; D442-E444 PolarHBondContact O-N 2.99Å | ||
| 445 | N | 34.1 | Very low | 52.4 | Low | 158 Ų | 158 | 117.7 Ų | 117.7 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -152.1 | 24.7 | -175.7 | -89.5 | -47.5 | 0 | 0 | 0 | 120.1 | ||
| 446 | Q | 35.9 | Very low | 49.5 | Very low | 178 Ų | 178 | 118.6 Ų | 118.6 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -134.2 | 9.6 | -174.1 | -72.2 | -163.5 | -0 | 0 | 0 | 120.9 | ||
| 447 | R | 29.3 | Very low | 46.4 | Very low | 197 Ų | 197 | 123.5 Ų | 123.5 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -138.7 | 118.4 | 171.7 | -69.6 | -172.1 | -175.9 | 165.9 | 6.5 | 114.2 | K401 | K401-R447 PolarHBondContact O-NH2 3.23Š| ||
| 448 | P | 32.5 | Very low | 43.3 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -80.1 | 131.4 | 167.9 | 30.5 | -28.6 | 0 | 0 | 0 | 111.3 | ||||
| 449 | N | 28.3 | Very low | 40.4 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 32.9 | 90.3 | 158.7 | -69 | -14.7 | 0 | 0 | 0 | 118.3 | ||
| 450 | G | 30.1 | Very low | 37.7 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | trans | -154.2 | 113.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y452 | G450-Y452 PolarHBondContact O-N 3.43Š| ||
| 451 | S | 26.1 | Very low | 34.8 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | -63.7 | 99.4 | -176.7 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 452 | Y | 28.9 | Very low | 33.3 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -117.5 | 119.4 | 153.4 | -77.1 | -84.7 | 0 | 0 | 0 | 107.6 | G450 Q454 | G450-Y452 PolarHBondContact O-N 3.43Å; Y452-Q454 PolarHBondContact O-N 2.98Å | ||
| 453 | T | 27.8 | Very low | 32.8 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | -47.3 | 120.5 | 173.5 | 39.4 | 0 | 0 | 0 | 0 | 109.9 | S455 | T453-S455 PolarHBondContact O-N 2.6Š| ||
| 454 | Q | 26 | Very low | 33.3 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -50.7 | 99.2 | 174 | -70.1 | 172.9 | -12.8 | 0 | 0 | 110.2 | Y452 | Y452-Q454 PolarHBondContact O-N 2.98Š| ||
| 455 | S | 27.7 | Very low | 34.8 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | trans | -128.2 | 65.6 | 169.4 | 167.8 | 0 | 0 | 0 | 0 | 107.6 | T453 | T453-S455 PolarHBondContact O-N 2.6Š| ||
| 456 | S | 30 | Very low | 37.2 | Very low | 89 Ų | 89 | 125.7 Ų | 125.7 | 62% | 0.622 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 165.7 | 54.6 | 160.6 | 42.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 457 | N | 26.6 | Very low | 39.4 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | trans | -131.5 | 50.8 | 156.2 | -99.4 | -7.9 | 0 | 0 | 0 | 108.6 | I459 | N457-I459 PolarHBondContact O-N 3.48Š| ||
| 458 | T | 26.6 | Very low | 41.9 | Very low | 114 Ų | 114 | 109.8 Ų | 109.8 | 70% | 0.699 | 62% | 0.619 | S | S | * | * | trans | -84.6 | 79.8 | 146 | 31.9 | 0 | 0 | 0 | 0 | 107 | R460 | T458-R460 HydrophobicContact CG2-CG 4.09Å; T458-R460 PolarHBondContact O-N 3.39Å | ||
| 459 | I | 28.1 | Very low | 44.2 | Very low | 143 Ų | 143 | 104.6 Ų | 104.6 | 73% | 0.733 | 58% | 0.584 | S | S | * | * | -58.5 | 91.2 | 128.5 | -60.5 | 173.9 | 0 | 0 | 0 | 102.5 | N457 L461 | N457-I459 PolarHBondContact O-N 3.48Å; I459-L461 PolarHBondContact O-N 2.93Å | |||
| 460 | R | 32.1 | Very low | 46.8 | Very low | 151 Ų | 151 | 100.6 Ų | 100.6 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | trans | -60.7 | 105.7 | 167 | -89 | -172.2 | -171.1 | -162.1 | 3.2 | 103.2 | T458 | T458-R460 HydrophobicContact CG2-CG 4.09Å; T458-R460 PolarHBondContact O-N 3.39Å | ||
| 461 | L | 26.8 | Very low | 49.4 | Very low | 141 Ų | 141 | 98.6 Ų | 98.6 | 74% | 0.738 | 54% | 0.536 | S | S | * | . | trans | -39.4 | 138.3 | 166.1 | -78.3 | 150.1 | 0 | 0 | 0 | 107.3 | I459 A463 | I459-L461 PolarHBondContact O-N 2.93Å; L461-A463 PolarHBondContact O-N 3.44Å; L461-A463 VanDerWaalsContact O-N 3.12Å | ||
| 462 | P | 45.9 | Very low | 52.3 | Low | 115 Ų | 115 | 99 Ų | 99 | 75% | 0.747 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -41.8 | 128.9 | 176.1 | 16.8 | -30.1 | 0 | 0 | 0 | 108.3 | P464 | P462-P464 VanDerWaalsContact O-N 3.11Š|
| 463 | A | 52.8 | Low | 55.1 | Low | 46 Ų | 46 | 91.1 Ų | 91.1 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -38.7 | 122.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L461 C465 Y468 | L461-A463 PolarHBondContact O-N 3.44Å; L461-A463 VanDerWaalsContact O-N 3.12Å; A463-C465 PolarHBondContact O-N 3.22Å; A463-C465 VanDerWaalsContact O-N 3.13Å; A463-Y468 WeakPolarHBondContact CB-OH 3.38Å; A463-Y468 PolarHBondContact O-OH 3.27Å |
| 464 | P | 62.1 | Low | 58 | Low | 75 Ų | 75 | 84.8 Ų | 84.8 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | trans | -53 | 127.2 | -164.1 | 20.4 | -32.9 | 0 | 0 | 0 | 108.4 | P462 R466 Y468 | P462-P464 VanDerWaalsContact O-N 3.11Å; P464-R466 WeakPolarHBondContact O-CG 3.44Å; P464-R466 PolarHBondContact O-N 3.31Å; P464-Y468 PolarHBondContact O-OH 3.15Å | ||
| 465 | C | 73.4 | Confident | 61.1 | Low | 47 Ų | 47 | 77.6 Ų | 77.6 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -64.5 | 112 | -174.3 | -160.2 | 0 | 0 | 0 | 0 | 108.9 | A463 C498 Y502 | A463-C465 PolarHBondContact O-N 3.22Å; A463-C465 VanDerWaalsContact O-N 3.13Å; C465-C498 HydrophobicContact CB-CB 3.58Å; C465-C498 WeakPolarHBondContact CB-SG 3.19Å; C465-C498 WeakPolarHBondContact SG-CA 3.42Å; C465-C498 WeakPolarHBondContact SG-CB 3.23Å; C465-C498 CovalentContact SG-SG 2.02Å; C465-C498 PolarHBondContact SG-SG 2.91Å; C465-Y502 WeakPolarHBondContact O-CD2 3.38Å; C465-Y502 WeakPolarHBondContact O-CE2 3.31Å |
| 466 | R | 83.4 | Confident | 64 | Low | 97 Ų | 97 | 74.8 Ų | 74.8 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -158 | 175.6 | -176.1 | 70.3 | -178.3 | -177 | -149 | 2.4 | 110.7 | H361 P464 Y468 Y502 | H361-R466 PolarHBondContact CE1-NH2 2.05Å; H361-R466 PolarHBondContact NE2-NH2 2.6Å; H361-R466 VanDerWaalsContact NE2-NH2 3.18Å; P464-R466 WeakPolarHBondContact O-CG 3.44Å; P464-R466 PolarHBondContact O-N 3.31Å; R466-Y468 HydrophobicContact CG-CD1 3.93Å; R466-Y468 HydrophobicContact CG-CE1 3.74Å; R466-Y502 HydrophobicContact CB-CE2 4.27Å |
| 467 | N | 82.6 | Confident | 66.8 | Low | 14 Ų | 14 | 71.4 Ų | 71.4 | 8% | 0.075 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 130.8 | 160.8 | -64 | -29.8 | 0 | 0 | 0 | 109.8 | D471 C474 Q490 C491 G493 S494 | N467-D471 VanDerWaalsContact CB-OD1 3.29Å; N467-D471 WeakPolarHBondContact CB-OD1 3.24Å; N467-D471 PolarHBondContact ND2-OD1 2.79Å; N467-C474 HydrophobicContact CB-CB 4.21Å; N467-Q490 CarbonylContact C-O 3.48Å; N467-Q490 WeakPolarHBondContact CA-O 3.36Å; N467-C491 VanDerWaalsContact OD1-CA 3.23Å; N467-C491 WeakPolarHBondContact OD1-CA 3.09Å; N467-C491 PolarHBondContact OD1-O 3.13Å; N467-G493 WeakPolarHBondContact OD1-CA 2.97Å; N467-G493 PolarHBondContact OD1-N 3.3Å; N467-G493 VanDerWaalsContact OD1-N 3.15Å; N467-S494 PolarHBondContact ND2-OG 3.11Å; N467-S494 PolarHBondContact OD1-N 3.44Å; N467-S494 PolarHBondContact OD1-OG 3.28Å |
| 468 | Y | 81.3 | Confident | 69.8 | Low | 27 Ų | 27 | 66 Ų | 66 | 11% | 0.106 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -97.7 | -9 | 179.8 | -61.1 | -67.7 | 0 | 0 | 0 | 113.3 | H361 A463 P464 R466 K489 Q490 L492 | H361-Y468 HydrophobicContact CB-CD1 3.75Å; H361-Y468 HydrophobicContact CB-CD2 4.32Å; H361-Y468 HydrophobicContact CB-CE1 3.65Å; H361-Y468 HydrophobicContact CB-CE2 4.23Å; H361-Y468 HydrophobicContact CB-CG 4.08Å; H361-Y468 AromaticContact CD2-CD1 3.09Å; H361-Y468 WeakPolarHBondContact CD2-CD1 3.04Å; H361-Y468 AromaticContact CD2-CE1 3.67Å; H361-Y468 AromaticContact CD2-CG 3.73Å; H361-Y468 AromaticContact CG-CD1 3.35Å; H361-Y468 AromaticContact CG-CE1 3.42Å; H361-Y468 VanDerWaalsContact CG-CE1 3.42Å; H361-Y468 AromaticContact ND1-CE1 3.85Å; H361-Y468 AromaticContact NE2-CD1 3.68Å; A463-Y468 WeakPolarHBondContact CB-OH 3.38Å; A463-Y468 PolarHBondContact O-OH 3.27Å; P464-Y468 PolarHBondContact O-OH 3.15Å; R466-Y468 HydrophobicContact CG-CD1 3.93Å; R466-Y468 HydrophobicContact CG-CE1 3.74Å; Y468-K489 WeakPolarHBondContact CD2-O 3.23Å; Y468-K489 WeakPolarHBondContact CE2-O 3.5Å; Y468-Q490 PolarHBondContact N-O 2.9Å; Y468-L492 HydrophobicContact CE2-CD1 3.75Å; Y468-L492 HydrophobicContact CE2-CG 4.42Å |
| 469 | I | 82 | Confident | 72.8 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -119.4 | 170.9 | 165.8 | 66.6 | -176 | 0 | 0 | 0 | 107.8 | E357 D471 R473 C474 Q490 | E357-I469 VanDerWaalsContact C-CG2 3.43Å; E357-I469 VanDerWaalsContact O-CG2 3.28Å; E357-I469 WeakPolarHBondContact O-CG2 3.43Å; I469-D471 PolarHBondContact O-N 2.97Å; I469-R473 HydrophobicContact CD1-CG 4.1Å; I469-C474 WeakPolarHBondContact CG1-SG 2.99Å; I469-Q490 HydrophobicContact CD1-CB 3.94Å; I469-Q490 HydrophobicContact CD1-CG 4.45Å; I469-Q490 HydrophobicContact CG1-CB 4.2Å; I469-Q490 HydrophobicContact CG2-CB 4.29Å; I469-Q490 HydrophobicContact CG2-CG 4.22Å |
| 470 | D | 83.2 | Confident | 75.8 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | trans | -42.9 | 132.4 | 179.7 | 169.5 | 74.6 | 0 | 0 | 0 | 113.8 | Q472 R473 C474 | D470-Q472 VanDerWaalsContact C-N 3.33Å; D470-Q472 PolarHBondContact O-N 3.16Å; D470-Q472 WeakPolarHBondContact OD2-CA 3.42Å; D470-Q472 VanDerWaalsContact OD2-CB 3.26Å; D470-Q472 WeakPolarHBondContact OD2-CB 3.04Å; D470-Q472 PolarHBondContact OD2-N 2.95Å; D470-Q472 VanDerWaalsContact OD2-N 3.09Å; D470-R473 HydrophobicContact CB-CB 4.27Å; D470-R473 WeakPolarHBondContact O-CB 3.4Å; D470-R473 PolarHBondContact O-N 3.3Å; D470-R473 PolarHBondContact OD2-N 2.95Å; D470-C474 PolarHBondContact O-N 2.5Å | ||
| 471 | D | 84.8 | Confident | 78.5 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | -175.8 | -86 | -14.6 | 0 | 0 | 0 | 112.1 | N467 I469 R473 C474 D475 | N467-D471 VanDerWaalsContact CB-OD1 3.29Å; N467-D471 WeakPolarHBondContact CB-OD1 3.24Å; N467-D471 PolarHBondContact ND2-OD1 2.79Å; I469-D471 PolarHBondContact O-N 2.97Å; D471-R473 VanDerWaalsContact C-N 3.33Å; D471-R473 PolarHBondContact O-N 3.18Å; D471-C474 PolarHBondContact O-N 3.38Å; D471-D475 WeakPolarHBondContact O-CB 3.42Å; D471-D475 PolarHBondContact O-N 2.73Å |
| 472 | Q | 87 | Confident | 81.6 | Confident | 133 Ų | 133 | 60.1 Ų | 60.1 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 179.4 | -175.5 | -174.2 | 3.4 | 0 | 0 | 110.6 | D470 D475 A476 | D470-Q472 VanDerWaalsContact C-N 3.33Å; D470-Q472 PolarHBondContact O-N 3.16Å; D470-Q472 WeakPolarHBondContact OD2-CA 3.42Å; D470-Q472 VanDerWaalsContact OD2-CB 3.26Å; D470-Q472 WeakPolarHBondContact OD2-CB 3.04Å; D470-Q472 PolarHBondContact OD2-N 2.95Å; D470-Q472 VanDerWaalsContact OD2-N 3.09Å; Q472-D475 PolarHBondContact O-N 3.1Å; Q472-A476 WeakPolarHBondContact O-CB 3.13Å; Q472-A476 PolarHBondContact O-N 3.47Å |
| 473 | R | 86.5 | Confident | 83.6 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 173.1 | -179.6 | 178.7 | 176.3 | -172.1 | -8.5 | 111.5 | E357 I469 D470 D471 D475 A476 L477 Y584 | E357-R473 IonicContact OE1-CZ 3.57Å; E357-R473 IonicContact OE1-NH1 3.9Å; E357-R473 PolarHBondContact OE1-NH1 3.26Å; E357-R473 IonicContact OE1-NH2 2.66Å; E357-R473 IonicContact OE2-CZ 2.72Å; E357-R473 IonicContact OE2-NH1 2.9Å; E357-R473 PolarHBondContact OE2-NH1 2.04Å; E357-R473 IonicContact OE2-NH2 3.22Å; E357-R473 PolarHBondContact OE2-NH2 3.34Å; I469-R473 HydrophobicContact CD1-CG 4.1Å; D470-R473 HydrophobicContact CB-CB 4.27Å; D470-R473 WeakPolarHBondContact O-CB 3.4Å; D470-R473 PolarHBondContact O-N 3.3Å; D470-R473 PolarHBondContact OD2-N 2.95Å; D471-R473 VanDerWaalsContact C-N 3.33Å; D471-R473 PolarHBondContact O-N 3.18Å; R473-D475 VanDerWaalsContact C-N 3.31Å; R473-D475 PolarHBondContact O-N 3.49Å; R473-A476 PolarHBondContact O-N 3.16Å; R473-L477 HydrophobicContact CG-CD1 4.01Å; R473-L477 WeakPolarHBondContact O-CB 3.21Å; R473-L477 VanDerWaalsContact O-CG 3.28Å; R473-L477 WeakPolarHBondContact O-CG 3.46Å; R473-L477 PolarHBondContact O-N 3.49Å; R473-Y584 WeakPolarHBondContact CD-OH 3.01Å; R473-Y584 PolarHBondContact NE-OH 2.04Å; R473-Y584 PolarHBondContact NH1-OH 2.84Å |
| 474 | C | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 178 | -80.9 | 0 | 0 | 0 | 0 | 112.6 | N467 I469 D470 D471 L477 A478 C491 S494 | N467-C474 HydrophobicContact CB-CB 4.21Å; I469-C474 WeakPolarHBondContact CG1-SG 2.99Å; D470-C474 PolarHBondContact O-N 2.5Å; D471-C474 PolarHBondContact O-N 3.38Å; C474-L477 PolarHBondContact O-N 3.02Å; C474-A478 VanDerWaalsContact O-CB 3.27Å; C474-A478 WeakPolarHBondContact O-CB 3.18Å; C474-A478 PolarHBondContact O-N 3.36Å; C474-C491 WeakPolarHBondContact CA-SG 3.33Å; C474-C491 HydrophobicContact CB-CB 3.52Å; C474-C491 WeakPolarHBondContact CB-SG 2.98Å; C474-C491 WeakPolarHBondContact SG-CA 3.48Å; C474-C491 WeakPolarHBondContact SG-CB 3.48Å; C474-C491 CovalentContact SG-SG 2.04Å; C474-C491 PolarHBondContact SG-SG 3.33Å; C474-S494 WeakPolarHBondContact CB-OG 3.26Å; C474-S494 WeakPolarHBondContact O-CB 3.33Å |
| 475 | D | 91.2 | Very high | 86.4 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.3 | -74.1 | -7.6 | 0 | 0 | 0 | 112.7 | D471 Q472 R473 A478 K479 S494 R504 | D471-D475 WeakPolarHBondContact O-CB 3.42Å; D471-D475 PolarHBondContact O-N 2.73Å; Q472-D475 PolarHBondContact O-N 3.1Å; R473-D475 VanDerWaalsContact C-N 3.31Å; R473-D475 PolarHBondContact O-N 3.49Å; D475-A478 PolarHBondContact O-N 3.31Å; D475-K479 WeakPolarHBondContact O-CB 3.29Å; D475-K479 VanDerWaalsContact O-CG 3.26Å; D475-K479 WeakPolarHBondContact O-CG 3.42Å; D475-K479 PolarHBondContact O-N 3.37Å; D475-S494 VanDerWaalsContact OD1-CB 3.31Å; D475-S494 WeakPolarHBondContact OD1-CB 3.5Å; D475-S494 PolarHBondContact OD1-OG 2.86Å; D475-R504 IonicContact OD1-CZ 3.89Å; D475-R504 IonicContact OD1-NH1 3.08Å; D475-R504 PolarHBondContact OD1-NH1 3.39Å; D475-R504 IonicContact OD1-NH2 2.84Å; D475-R504 PolarHBondContact OD1-NH2 3.31Å; D475-R504 IonicContact OD2-CZ 3.28Å; D475-R504 IonicContact OD2-NH1 3.33Å; D475-R504 PolarHBondContact OD2-NH1 2.61Å; D475-R504 IonicContact OD2-NH2 2.66Å; D475-R504 PolarHBondContact OD2-NH2 3.5Å |
| 476 | A | 88.9 | Confident | 86.9 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q472 R473 A478 K479 E480 | Q472-A476 WeakPolarHBondContact O-CB 3.13Å; Q472-A476 PolarHBondContact O-N 3.47Å; R473-A476 PolarHBondContact O-N 3.16Å; A476-A478 VanDerWaalsContact C-N 3.35Å; A476-A478 PolarHBondContact O-N 3.08Å; A476-K479 PolarHBondContact O-N 2.89Å; A476-E480 WeakPolarHBondContact O-CG 3.32Å; A476-E480 PolarHBondContact O-N 3.38Å |
| 477 | L | 88.8 | Confident | 87 | Confident | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 179.1 | -69.4 | 171.8 | 0 | 0 | 0 | 112.5 | R473 C474 E480 G481 K482 T487 | R473-L477 HydrophobicContact CG-CD1 4.01Å; R473-L477 WeakPolarHBondContact O-CB 3.21Å; R473-L477 VanDerWaalsContact O-CG 3.28Å; R473-L477 WeakPolarHBondContact O-CG 3.46Å; R473-L477 PolarHBondContact O-N 3.49Å; C474-L477 PolarHBondContact O-N 3.02Å; L477-E480 PolarHBondContact O-N 3.18Å; L477-G481 PolarHBondContact O-N 2.84Å; L477-K482 HydrophobicContact CB-CB 4.37Å; L477-K482 HydrophobicContact CD2-CB 4.28Å; L477-K482 HydrophobicContact CD2-CD 3.67Å; L477-K482 WeakPolarHBondContact O-CB 3.39Å; L477-K482 PolarHBondContact O-N 2.83Å; L477-T487 HydrophobicContact CB-CG2 3.79Å; L477-T487 HydrophobicContact CD1-CG2 3.75Å; L477-T487 HydrophobicContact CG-CG2 4.3Å |
| 478 | A | 88.9 | Confident | 87.2 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C474 D475 A476 E480 G481 S494 | C474-A478 VanDerWaalsContact O-CB 3.27Å; C474-A478 WeakPolarHBondContact O-CB 3.18Å; C474-A478 PolarHBondContact O-N 3.36Å; D475-A478 PolarHBondContact O-N 3.31Å; A476-A478 VanDerWaalsContact C-N 3.35Å; A476-A478 PolarHBondContact O-N 3.08Å; A478-E480 VanDerWaalsContact C-N 3.26Å; A478-E480 PolarHBondContact O-N 3.21Å; A478-G481 PolarHBondContact O-N 2.55Å; A478-S494 VanDerWaalsContact CB-O 3.26Å; A478-S494 WeakPolarHBondContact CB-O 3.16Å |
| 479 | K | 91.3 | Very high | 87.3 | Confident | 186 Ų | 186 | 59.3 Ų | 59.3 | 81% | 0.809 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.1 | -33.8 | 174.7 | -75.1 | 172.9 | -177.7 | 176.2 | 0 | 112.7 | D475 A476 G481 | D475-K479 WeakPolarHBondContact O-CB 3.29Å; D475-K479 VanDerWaalsContact O-CG 3.26Å; D475-K479 WeakPolarHBondContact O-CG 3.42Å; D475-K479 PolarHBondContact O-N 3.37Å; A476-K479 PolarHBondContact O-N 2.89Å; K479-G481 PolarHBondContact O-N 3.21Å |
| 480 | E | 91.2 | Very high | 87.5 | Confident | 97 Ų | 97 | 59 Ų | 59 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 0.8 | 175.1 | -70.1 | 174.6 | -162.5 | 0 | 0 | 113.8 | A476 L477 A478 K482 | A476-E480 WeakPolarHBondContact O-CG 3.32Å; A476-E480 PolarHBondContact O-N 3.38Å; L477-E480 PolarHBondContact O-N 3.18Å; A478-E480 VanDerWaalsContact C-N 3.26Å; A478-E480 PolarHBondContact O-N 3.21Å; E480-K482 VanDerWaalsContact C-N 3.28Å; E480-K482 HydrophobicContact CB-CD 4.16Å; E480-K482 HydrophobicContact CB-CG 4.08Å; E480-K482 PolarHBondContact O-N 3.25Å; E480-K482 WeakPolarHBondContact OE2-CD 3.18Å; E480-K482 WeakPolarHBondContact OE2-CE 3.2Å; E480-K482 IonicContact OE2-NZ 3.53Å; E480-K482 PolarHBondContact OE2-NZ 3.49Å |
| 481 | G | 88.6 | Confident | 87.7 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 54% | 0.536 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 18.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | L477 A478 K479 C483 | L477-G481 PolarHBondContact O-N 2.84Å; A478-G481 PolarHBondContact O-N 2.55Å; K479-G481 PolarHBondContact O-N 3.21Å; G481-C483 PolarHBondContact O-N 2.85Å |
| 482 | K | 90.3 | Very high | 87.8 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 39% | 0.391 | 30% | 0.299 | S | S | . | . | trans | -85.4 | 19.3 | -176.5 | -66.8 | 179.5 | 174.9 | 166.6 | 0 | 114.2 | L477 E480 F484 T487 | L477-K482 HydrophobicContact CB-CB 4.37Å; L477-K482 HydrophobicContact CD2-CB 4.28Å; L477-K482 HydrophobicContact CD2-CD 3.67Å; L477-K482 WeakPolarHBondContact O-CB 3.39Å; L477-K482 PolarHBondContact O-N 2.83Å; E480-K482 VanDerWaalsContact C-N 3.28Å; E480-K482 HydrophobicContact CB-CD 4.16Å; E480-K482 HydrophobicContact CB-CG 4.08Å; E480-K482 PolarHBondContact O-N 3.25Å; E480-K482 WeakPolarHBondContact OE2-CD 3.18Å; E480-K482 WeakPolarHBondContact OE2-CE 3.2Å; E480-K482 IonicContact OE2-NZ 3.53Å; E480-K482 PolarHBondContact OE2-NZ 3.49Å; K482-F484 HydrophobicContact CB-CE1 4.49Å; K482-F484 PolarHBondContact O-N 3.42Å; K482-T487 HydrophobicContact CB-CG2 4.48Å; K482-T487 WeakPolarHBondContact O-CB 3.43Å; K482-T487 WeakPolarHBondContact O-CG2 3.42Å | ||
| 483 | C | 89.5 | Confident | 87.8 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | trans | -74.8 | 56.5 | -180 | -74.4 | 0 | 0 | 0 | 0 | 114.1 | G481 L488 C495 | G481-C483 PolarHBondContact O-N 2.85Å; C483-L488 HydrophobicContact CB-CD1 4.38Å; C483-C495 WeakPolarHBondContact CA-SG 3.41Å; C483-C495 HydrophobicContact CB-CB 3.63Å; C483-C495 WeakPolarHBondContact CB-SG 3.26Å; C483-C495 WeakPolarHBondContact SG-CA 3.47Å; C483-C495 WeakPolarHBondContact SG-CB 3.26Å; C483-C495 CovalentContact SG-SG 2.03Å; C483-C495 PolarHBondContact SG-SG 3.31Å | ||
| 484 | F | 88.9 | Confident | 88 | Confident | 86 Ų | 86 | 47.6 Ų | 47.6 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -142.1 | 166.9 | 174.8 | 56.5 | -93 | 0 | 0 | 0 | 110.7 | K482 T486 T487 L488 A709 | K482-F484 HydrophobicContact CB-CE1 4.49Å; K482-F484 PolarHBondContact O-N 3.42Å; F484-T486 PolarHBondContact O-N 3.5Å; F484-T487 PolarHBondContact O-N 2.95Å; F484-L488 PolarHBondContact O-N 3.46Å; F484-A709 HydrophobicContact CD2-CB 4.03Å; F484-A709 HydrophobicContact CE2-CB 4.25Å; F484-A709 HydrophobicContact CG-CB 4.24Å |
| 485 | G | 85.2 | Confident | 88.1 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | 58.2 | -134.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L488 K489 | G485-L488 PolarHBondContact O-N 2.95Å; G485-K489 PolarHBondContact O-N 2.8Å |
| 486 | T | 82.9 | Confident | 87.9 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 179.2 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | Y359 F362 F484 L488 K489 Q490 | Y359-T486 HydrophobicContact CE1-CG2 3.92Å; F362-T486 HydrophobicContact CE2-CG2 4.09Å; F362-T486 HydrophobicContact CZ-CG2 4.03Å; F484-T486 PolarHBondContact O-N 3.5Å; T486-L488 VanDerWaalsContact C-N 3.29Å; T486-L488 PolarHBondContact O-N 3.26Å; T486-K489 CarbonylContact O-C 3.44Å; T486-K489 WeakPolarHBondContact O-CA 3.02Å; T486-K489 WeakPolarHBondContact O-CB 3.03Å; T486-K489 PolarHBondContact O-N 2.99Å; T486-Q490 HydrophobicContact CG2-CG 4.1Å; T486-Q490 WeakPolarHBondContact O-CG 3.01Å; T486-Q490 PolarHBondContact O-N 3.44Å |
| 487 | T | 84.8 | Confident | 87.7 | Confident | 27 Ų | 27 | 58 Ų | 58 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -40 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | L477 K482 F484 K489 Q490 C491 | L477-T487 HydrophobicContact CB-CG2 3.79Å; L477-T487 HydrophobicContact CD1-CG2 3.75Å; L477-T487 HydrophobicContact CG-CG2 4.3Å; K482-T487 HydrophobicContact CB-CG2 4.48Å; K482-T487 WeakPolarHBondContact O-CB 3.43Å; K482-T487 WeakPolarHBondContact O-CG2 3.42Å; F484-T487 PolarHBondContact O-N 2.95Å; T487-K489 VanDerWaalsContact C-N 3.27Å; T487-K489 PolarHBondContact O-N 3.41Å; T487-Q490 PolarHBondContact O-N 2.03Å; T487-C491 VanDerWaalsContact O-CB 3.29Å; T487-C491 WeakPolarHBondContact O-CB 3.33Å; T487-C491 PolarHBondContact O-N 2.04Å |
| 488 | L | 86.8 | Confident | 87.2 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 174.8 | -175.6 | 59.9 | 0 | 0 | 0 | 112.2 | C483 F484 G485 T486 L492 C495 K497 | C483-L488 HydrophobicContact CB-CD1 4.38Å; F484-L488 PolarHBondContact O-N 3.46Å; G485-L488 PolarHBondContact O-N 2.95Å; T486-L488 VanDerWaalsContact C-N 3.29Å; T486-L488 PolarHBondContact O-N 3.26Å; L488-L492 WeakPolarHBondContact O-CD2 3.37Å; L488-C495 HydrophobicContact CD1-CB 3.78Å; L488-K497 HydrophobicContact CD1-CD 4.25Å; L488-K497 HydrophobicContact CD1-CG 3.49Å; L488-K497 VanDerWaalsContact CD1-CG 3.49Å |
| 489 | K | 83.2 | Confident | 86.2 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.6 | -35.5 | 178.2 | -62 | -178.8 | 177 | -171.3 | 0 | 112.1 | F362 Y468 G485 T486 T487 | F362-K489 HydrophobicContact CB-CB 4.14Å; F362-K489 HydrophobicContact CB-CD 4.16Å; F362-K489 HydrophobicContact CD1-CB 3.84Å; F362-K489 HydrophobicContact CD2-CB 3.8Å; F362-K489 HydrophobicContact CD2-CD 3.53Å; F362-K489 HydrophobicContact CD2-CG 4.33Å; F362-K489 HydrophobicContact CE1-CB 4.19Å; F362-K489 HydrophobicContact CE2-CB 4.14Å; F362-K489 HydrophobicContact CE2-CD 4.17Å; F362-K489 HydrophobicContact CG-CB 3.64Å; F362-K489 HydrophobicContact CG-CD 3.97Å; F362-K489 HydrophobicContact CG-CG 4.4Å; F362-K489 HydrophobicContact CZ-CB 4.34Å; Y468-K489 WeakPolarHBondContact CD2-O 3.23Å; Y468-K489 WeakPolarHBondContact CE2-O 3.5Å; G485-K489 PolarHBondContact O-N 2.8Å; T486-K489 CarbonylContact O-C 3.44Å; T486-K489 WeakPolarHBondContact O-CA 3.02Å; T486-K489 WeakPolarHBondContact O-CB 3.03Å; T486-K489 PolarHBondContact O-N 2.99Å; T487-K489 VanDerWaalsContact C-N 3.27Å; T487-K489 PolarHBondContact O-N 3.41Å |
| 490 | Q | 86.2 | Confident | 84.7 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.6 | -35.9 | 178.4 | -71.5 | 172 | -44 | 0 | 0 | 112.6 | E357 F362 N467 Y468 I469 T486 T487 | E357-Q490 PolarHBondContact O-NE2 3.28Å; E357-Q490 PolarHBondContact OE2-NE2 3.15Å; F362-Q490 HydrophobicContact CE1-CB 4.45Å; F362-Q490 HydrophobicContact CE1-CG 3.58Å; F362-Q490 HydrophobicContact CZ-CG 3.57Å; N467-Q490 CarbonylContact C-O 3.48Å; N467-Q490 WeakPolarHBondContact CA-O 3.36Å; Y468-Q490 PolarHBondContact N-O 2.9Å; I469-Q490 HydrophobicContact CD1-CB 3.94Å; I469-Q490 HydrophobicContact CD1-CG 4.45Å; I469-Q490 HydrophobicContact CG1-CB 4.2Å; I469-Q490 HydrophobicContact CG2-CB 4.29Å; I469-Q490 HydrophobicContact CG2-CG 4.22Å; T486-Q490 HydrophobicContact CG2-CG 4.1Å; T486-Q490 WeakPolarHBondContact O-CG 3.01Å; T486-Q490 PolarHBondContact O-N 3.44Å; T487-Q490 PolarHBondContact O-N 2.03Å |
| 491 | C | 89 | Confident | 83.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -120 | 44.4 | -166.2 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | N467 C474 T487 G493 S494 C495 | N467-C491 VanDerWaalsContact OD1-CA 3.23Å; N467-C491 WeakPolarHBondContact OD1-CA 3.09Å; N467-C491 PolarHBondContact OD1-O 3.13Å; C474-C491 WeakPolarHBondContact CA-SG 3.33Å; C474-C491 HydrophobicContact CB-CB 3.52Å; C474-C491 WeakPolarHBondContact CB-SG 2.98Å; C474-C491 WeakPolarHBondContact SG-CA 3.48Å; C474-C491 WeakPolarHBondContact SG-CB 3.48Å; C474-C491 CovalentContact SG-SG 2.04Å; C474-C491 PolarHBondContact SG-SG 3.33Å; T487-C491 VanDerWaalsContact O-CB 3.29Å; T487-C491 WeakPolarHBondContact O-CB 3.33Å; T487-C491 PolarHBondContact O-N 2.04Å; C491-G493 PolarHBondContact O-N 3.22Å; C491-S494 PolarHBondContact O-N 2.03Å; C491-C495 WeakPolarHBondContact O-CB 3.29Å; C491-C495 PolarHBondContact O-N 3.32Å; C491-C495 PolarHBondContact O-SG 2.82Å; C491-C495 VanDerWaalsContact O-SG 3.33Å |
| 492 | L | 87.2 | Confident | 81.9 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -37.6 | -175.1 | -66.9 | 170.1 | 0 | 0 | 0 | 112.3 | Y468 L488 N496 K497 C498 | Y468-L492 HydrophobicContact CE2-CD1 3.75Å; Y468-L492 HydrophobicContact CE2-CG 4.42Å; L488-L492 WeakPolarHBondContact O-CD2 3.37Å; L492-N496 PolarHBondContact O-N 3.43Å; L492-K497 HydrophobicContact CB-CB 4.41Å; L492-K497 HydrophobicContact CD2-CB 3.93Å; L492-K497 HydrophobicContact CD2-CG 4.42Å; L492-K497 PolarHBondContact O-N 3.42Å; L492-C498 VanDerWaalsContact C-SG 3.55Å |
| 493 | G | 86.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -61.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N467 C491 C495 N496 | N467-G493 WeakPolarHBondContact OD1-CA 2.97Å; N467-G493 PolarHBondContact OD1-N 3.3Å; N467-G493 VanDerWaalsContact OD1-N 3.15Å; C491-G493 PolarHBondContact O-N 3.22Å; G493-C495 PolarHBondContact O-N 3.41Å; G493-N496 PolarHBondContact O-N 3.33Å; G493-N496 VanDerWaalsContact O-N 3.11Å |
| 494 | S | 90.8 | Very high | 78.8 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.5 | -178.8 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | N467 C474 D475 A478 C491 N496 R504 | N467-S494 PolarHBondContact ND2-OG 3.11Å; N467-S494 PolarHBondContact OD1-N 3.44Å; N467-S494 PolarHBondContact OD1-OG 3.28Å; C474-S494 WeakPolarHBondContact CB-OG 3.26Å; C474-S494 WeakPolarHBondContact O-CB 3.33Å; D475-S494 VanDerWaalsContact OD1-CB 3.31Å; D475-S494 WeakPolarHBondContact OD1-CB 3.5Å; D475-S494 PolarHBondContact OD1-OG 2.86Å; A478-S494 VanDerWaalsContact CB-O 3.26Å; A478-S494 WeakPolarHBondContact CB-O 3.16Å; C491-S494 PolarHBondContact O-N 2.03Å; S494-N496 VanDerWaalsContact C-N 3.25Å; S494-N496 PolarHBondContact O-N 3.32Å; S494-R504 PolarHBondContact OG-NH2 2.83Å |
| 495 | C | 89.9 | Confident | 77 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 10.6 | 175.3 | -68.9 | 0 | 0 | 0 | 0 | 114.1 | C483 L488 C491 G493 K497 | C483-C495 WeakPolarHBondContact CA-SG 3.41Å; C483-C495 HydrophobicContact CB-CB 3.63Å; C483-C495 WeakPolarHBondContact CB-SG 3.26Å; C483-C495 WeakPolarHBondContact SG-CA 3.47Å; C483-C495 WeakPolarHBondContact SG-CB 3.26Å; C483-C495 CovalentContact SG-SG 2.03Å; C483-C495 PolarHBondContact SG-SG 3.31Å; L488-C495 HydrophobicContact CD1-CB 3.78Å; C491-C495 WeakPolarHBondContact O-CB 3.29Å; C491-C495 PolarHBondContact O-N 3.32Å; C491-C495 PolarHBondContact O-SG 2.82Å; C491-C495 VanDerWaalsContact O-SG 3.33Å; G493-C495 PolarHBondContact O-N 3.41Å; C495-K497 HydrophobicContact CB-CG 4.37Å; C495-K497 PolarHBondContact O-N 3.19Å |
| 496 | N | 86.2 | Confident | 75 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 77% | 0.765 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.6 | 178.6 | -62 | -28.4 | 0 | 0 | 0 | 112.8 | L492 G493 S494 | L492-N496 PolarHBondContact O-N 3.43Å; G493-N496 PolarHBondContact O-N 3.33Å; G493-N496 VanDerWaalsContact O-N 3.11Å; S494-N496 VanDerWaalsContact C-N 3.25Å; S494-N496 PolarHBondContact O-N 3.32Å |
| 497 | K | 86.2 | Confident | 72.8 | Confident | 129 Ų | 129 | 79 Ų | 79 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | trans | -97.5 | -4.1 | 175.5 | -65.4 | -49.5 | -176.9 | -171.6 | 0 | 114 | L488 L492 C495 | L488-K497 HydrophobicContact CD1-CD 4.25Å; L488-K497 HydrophobicContact CD1-CG 3.49Å; L488-K497 VanDerWaalsContact CD1-CG 3.49Å; L492-K497 HydrophobicContact CB-CB 4.41Å; L492-K497 HydrophobicContact CD2-CB 3.93Å; L492-K497 HydrophobicContact CD2-CG 4.42Å; L492-K497 PolarHBondContact O-N 3.42Å; C495-K497 HydrophobicContact CB-CG 4.37Å; C495-K497 PolarHBondContact O-N 3.19Å | ||
| 498 | C | 77.7 | Confident | 70.2 | Confident | 29 Ų | 29 | 86.5 Ų | 86.5 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -89.2 | -2.2 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 115 | C465 L492 Y502 | C465-C498 HydrophobicContact CB-CB 3.58Å; C465-C498 WeakPolarHBondContact CB-SG 3.19Å; C465-C498 WeakPolarHBondContact SG-CA 3.42Å; C465-C498 WeakPolarHBondContact SG-CB 3.23Å; C465-C498 CovalentContact SG-SG 2.02Å; C465-C498 PolarHBondContact SG-SG 2.91Å; L492-C498 VanDerWaalsContact C-SG 3.55Å; C498-Y502 VanDerWaalsContact CB-CB 3.49Å; C498-Y502 HydrophobicContact CB-CD1 4.31Å; C498-Y502 HydrophobicContact CB-CD2 3.94Å; C498-Y502 HydrophobicContact CB-CG 3.64Å |
| 499 | G | 68.8 | Low | 67.5 | Low | 50 Ų | 50 | 91 Ų | 91 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | trans | 70.5 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N501 Y502 | G499-N501 PolarHBondContact O-N 3.36Å; G499-Y502 PolarHBondContact O-N 2.82Å | ||
| 500 | D | 58.4 | Low | 64.8 | Low | 173 Ų | 173 | 91 Ų | 91 | 93% | 0.925 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16 | -169.6 | -57.9 | -36.1 | 0 | 0 | 0 | 113.9 | Y502 | D500-Y502 VanDerWaalsContact C-N 3.33Å; D500-Y502 PolarHBondContact O-N 3.26Å |
| 501 | N | 58.9 | Low | 62.2 | Low | 160 Ų | 160 | 99.5 Ų | 99.5 | 86% | 0.856 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 8.7 | -179.7 | -73.4 | -18.1 | 0 | 0 | 0 | 114.1 | G499 Q503 | G499-N501 PolarHBondContact O-N 3.36Å; N501-Q503 PolarHBondContact O-N 2.98Å; N501-Q503 VanDerWaalsContact O-N 3.15Å |
| 502 | Y | 62.6 | Low | 59.2 | Low | 58 Ų | 58 | 105.5 Ų | 105.5 | 23% | 0.227 | 56% | 0.556 | C | S | . | * | trans | -75.6 | 102.4 | 176.4 | 179.4 | -116.9 | 0 | 0 | 0 | 111.4 | C465 R466 C498 G499 D500 R504 | C465-Y502 WeakPolarHBondContact O-CD2 3.38Å; C465-Y502 WeakPolarHBondContact O-CE2 3.31Å; R466-Y502 HydrophobicContact CB-CE2 4.27Å; C498-Y502 VanDerWaalsContact CB-CB 3.49Å; C498-Y502 HydrophobicContact CB-CD1 4.31Å; C498-Y502 HydrophobicContact CB-CD2 3.94Å; C498-Y502 HydrophobicContact CB-CG 3.64Å; G499-Y502 PolarHBondContact O-N 2.82Å; D500-Y502 VanDerWaalsContact C-N 3.33Å; D500-Y502 PolarHBondContact O-N 3.26Å; Y502-R504 HydrophobicContact CE1-CB 3.97Å; Y502-R504 HydrophobicContact CE1-CG 4.33Å; Y502-R504 PolarHBondContact O-N 3.47Å | ||
| 503 | Q | 58.1 | Low | 56.4 | Low | 174 Ų | 174 | 108.7 Ų | 108.7 | 81% | 0.813 | 58% | 0.577 | S | S | * | * | trans | -76.5 | 108.7 | 163.3 | -72.7 | -174 | -15.4 | 0 | 0 | 108.7 | N501 Q505 | N501-Q503 PolarHBondContact O-N 2.98Å; N501-Q503 VanDerWaalsContact O-N 3.15Å; Q503-Q505 PolarHBondContact O-N 2.57Å | ||
| 504 | R | 55.7 | Low | 53.6 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 40% | 0.396 | 61% | 0.613 | S | S | . | * | trans | -60.3 | 105.9 | 173.5 | -175.1 | -174.7 | -85.6 | -155.1 | -8.9 | 108.7 | D475 S494 Y502 T506 | D475-R504 IonicContact OD1-CZ 3.89Å; D475-R504 IonicContact OD1-NH1 3.08Å; D475-R504 PolarHBondContact OD1-NH1 3.39Å; D475-R504 IonicContact OD1-NH2 2.84Å; D475-R504 PolarHBondContact OD1-NH2 3.31Å; D475-R504 IonicContact OD2-CZ 3.28Å; D475-R504 IonicContact OD2-NH1 3.33Å; D475-R504 PolarHBondContact OD2-NH1 2.61Å; D475-R504 IonicContact OD2-NH2 2.66Å; D475-R504 PolarHBondContact OD2-NH2 3.5Å; S494-R504 PolarHBondContact OG-NH2 2.83Å; Y502-R504 HydrophobicContact CE1-CB 3.97Å; Y502-R504 HydrophobicContact CE1-CG 4.33Å; Y502-R504 PolarHBondContact O-N 3.47Å; R504-T506 PolarHBondContact O-N 2.87Å; R504-T506 VanDerWaalsContact O-N 3.13Å | ||
| 505 | Q | 51.9 | Low | 50.5 | Low | 167 Ų | 167 | 119.6 Ų | 119.6 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | trans | -74.6 | 97.9 | 167.7 | -71.5 | -176.8 | -6.4 | 0 | 0 | 107.4 | Q503 T507 | Q503-Q505 PolarHBondContact O-N 2.57Å; Q505-T507 PolarHBondContact O-N 2.92Å; Q505-T507 VanDerWaalsContact O-N 3.13Å | ||
| 506 | T | 42.7 | Very low | 47.6 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 66% | 0.656 | 67% | 0.674 | S | S | * | * | trans | -61.1 | 113.2 | 169 | 43.2 | 0 | 0 | 0 | 0 | 108.4 | R504 E508 | R504-T506 PolarHBondContact O-N 2.87Å; R504-T506 VanDerWaalsContact O-N 3.13Å; T506-E508 PolarHBondContact O-N 2.76Å | ||
| 507 | T | 37.5 | Very low | 44.8 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | trans | -69.9 | 78.5 | 172.2 | 38.9 | 0 | 0 | 0 | 0 | 110.5 | Q505 | Q505-T507 PolarHBondContact O-N 2.92Å; Q505-T507 VanDerWaalsContact O-N 3.13Å | ||
| 508 | E | 30.5 | Very low | 42.1 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -110.5 | 71.1 | 147.9 | -75.2 | -171.6 | 179.2 | 0 | 0 | 107.2 | T506 | T506-E508 PolarHBondContact O-N 2.76Š| ||
| 509 | I | 29.3 | Very low | 39.7 | Very low | 142 Ų | 142 | 133 Ų | 133 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | trans | -112.7 | 121.7 | 162 | -57.7 | 178.2 | 0 | 0 | 0 | 105.6 | H511 | I509-H511 PolarHBondContact O-N 2.04Å; I509-H511 VanDerWaalsContact O-N 3.15Å | ||
| 510 | P | 26.8 | Very low | 37.9 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | -58.7 | 123.9 | 177.5 | -12.6 | 24.4 | 0 | 0 | 0 | 108 | T512 | P510-T512 PolarHBondContact O-N 3.39Š| ||
| 511 | H | 30.5 | Very low | 36.5 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 85% | 0.852 | 73% | 0.726 | S | S | * | * | trans | -61.2 | 91.5 | 160.5 | -81.3 | -77.4 | 0 | 0 | 0 | 107.2 | I509 T513 | I509-H511 PolarHBondContact O-N 2.04Å; I509-H511 VanDerWaalsContact O-N 3.15Å; H511-T513 PolarHBondContact O-N 2.73Å | ||
| 512 | T | 27.6 | Very low | 35.3 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -63.7 | 94.3 | 158.3 | 29.6 | 0 | 0 | 0 | 0 | 106.6 | P510 T514 | P510-T512 PolarHBondContact O-N 3.39Å; T512-T514 PolarHBondContact O-N 3.13Å | ||
| 513 | T | 28 | Very low | 34 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | -48.1 | 104.6 | 167.2 | -38.9 | 0 | 0 | 0 | 0 | 107.7 | H511 T515 | H511-T513 PolarHBondContact O-N 2.73Å; T513-T515 HydrophobicContact CG2-CG2 4.01Å; T513-T515 PolarHBondContact O-N 3.43Å; T513-T515 PolarHBondContact O-OG1 2.78Å | ||
| 514 | T | 27.6 | Very low | 32.6 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -77.5 | 74.1 | 161 | -48.4 | 0 | 0 | 0 | 0 | 106 | T512 N516 | T512-T514 PolarHBondContact O-N 3.13Å; T514-N516 PolarHBondContact O-N 3.13Å; T514-N516 VanDerWaalsContact O-N 3.1Å | ||
| 515 | T | 25.8 | Very low | 31.5 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | -62.3 | 102.6 | 163.3 | 7.1 | 0 | 0 | 0 | 0 | 106.7 | T513 | T513-T515 HydrophobicContact CG2-CG2 4.01Å; T513-T515 PolarHBondContact O-N 3.43Å; T513-T515 PolarHBondContact O-OG1 2.78Å | ||
| 516 | N | 29.1 | Very low | 30.5 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -145.1 | 109 | 155.3 | -93.2 | -31.7 | 0 | 0 | 0 | 109.8 | T514 | T514-N516 PolarHBondContact O-N 3.13Å; T514-N516 VanDerWaalsContact O-N 3.1Å | ||
| 517 | I | 27 | Very low | 30.5 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 78.8 | 80.2 | 148.5 | -44 | 162.9 | 0 | 0 | 0 | 116.1 | ||||
| 518 | I | 29.9 | Very low | 31.2 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | -139.5 | 81.3 | 123.1 | -53.6 | -175.7 | 0 | 0 | 0 | 107.6 | N520 | I518-N520 HydrophobicContact CG2-CB 4.43Å; I518-N520 PolarHBondContact O-N 3.46Å; I518-N520 VanDerWaalsContact O-N 3.17Å | |||
| 519 | N | 27 | Very low | 33 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | -69.9 | 99.9 | 154.9 | -90.6 | -23.1 | 0 | 0 | 0 | 106.9 | ||||
| 520 | N | 30.5 | Very low | 35.2 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | -144.5 | 87.5 | 150.6 | -95.6 | -26.3 | 0 | 0 | 0 | 107.8 | I518 K522 | I518-N520 HydrophobicContact CG2-CB 4.43Å; I518-N520 PolarHBondContact O-N 3.46Å; I518-N520 VanDerWaalsContact O-N 3.17Å; N520-K522 PolarHBondContact O-N 3.01Å | ||
| 521 | N | 30 | Very low | 37.8 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 88% | 0.882 | 71% | 0.709 | S | S | * | * | trans | -51.6 | 105.6 | 157.3 | -84.8 | -27.6 | 0 | 0 | 0 | 108.7 | ||||
| 522 | K | 33.2 | Very low | 40 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 87% | 0.87 | 70% | 0.7 | S | S | * | * | trans | -143.2 | 94.8 | 152.3 | -123.5 | 177.4 | -176.3 | 180 | 0 | 109.3 | N520 | N520-K522 PolarHBondContact O-N 3.01Š| ||
| 523 | S | 35 | Very low | 42.4 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 52% | 0.524 | 67% | 0.674 | S | S | . | * | trans | 70.5 | 101.7 | 147.8 | -172.2 | 0 | 0 | 0 | 0 | 117.4 | L525 | S523-L525 PolarHBondContact O-N 3.23Å; S523-L525 WeakPolarHBondContact OG-CA 3.23Å; S523-L525 VanDerWaalsContact OG-CB 3.3Å; S523-L525 WeakPolarHBondContact OG-CB 3.29Å; S523-L525 WeakPolarHBondContact OG-CD1 3.02Å; S523-L525 WeakPolarHBondContact OG-CG 3.46Å; S523-L525 PolarHBondContact OG-N 3.31Å | ||
| 524 | L | 29.6 | Very low | 44.8 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 99% | 0.99 | 68% | 0.684 | S | S | * | * | trans | -48 | 81.4 | 135.4 | -164.2 | 84.3 | 0 | 0 | 0 | 108.6 | ||||
| 525 | L | 31.8 | Very low | 47.1 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | trans | -94.2 | 118.2 | -177.8 | -123.2 | 145.1 | 0 | 0 | 0 | 107.5 | S523 L527 | S523-L525 PolarHBondContact O-N 3.23Å; S523-L525 WeakPolarHBondContact OG-CA 3.23Å; S523-L525 VanDerWaalsContact OG-CB 3.3Å; S523-L525 WeakPolarHBondContact OG-CB 3.29Å; S523-L525 WeakPolarHBondContact OG-CD1 3.02Å; S523-L525 WeakPolarHBondContact OG-CG 3.46Å; S523-L525 PolarHBondContact OG-N 3.31Å; L525-L527 PolarHBondContact O-N 3.36Å | ||
| 526 | S | 32.1 | Very low | 49.7 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | trans | -40.4 | 121.5 | 166.3 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | E528 | S526-E528 PolarHBondContact O-N 3.07Š| ||
| 527 | L | 42.5 | Very low | 52.1 | Low | 168 Ų | 168 | 119.1 Ų | 119.1 | 88% | 0.88 | 63% | 0.633 | S | S | * | * | trans | -74.6 | 80.3 | 177.7 | -147.4 | 86.8 | 0 | 0 | 0 | 108.6 | L525 | L525-L527 PolarHBondContact O-N 3.36Š| ||
| 528 | E | 51.3 | Low | 54.3 | Low | 142 Ų | 142 | 119.6 Ų | 119.6 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | trans | -70.6 | 136.9 | 167.3 | -77.2 | -174.7 | 156.7 | 0 | 0 | 109.2 | S526 E530 | S526-E528 PolarHBondContact O-N 3.07Å; E528-E530 HydrophobicContact CB-CG 4.45Å; E528-E530 PolarHBondContact O-N 3.24Å; E528-E530 VanDerWaalsContact O-N 3.1Å | ||
| 529 | C | 67.7 | Low | 56.4 | Low | 52 Ų | 52 | 114.5 Ų | 114.5 | 35% | 0.351 | 60% | 0.598 | S | S | . | * | trans | -76.7 | 98.5 | -178.1 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | C563 | C529-C563 HydrophobicContact CB-CB 3.6Å; C529-C563 WeakPolarHBondContact CB-SG 3.35Å; C529-C563 WeakPolarHBondContact SG-CA 3.26Å; C529-C563 WeakPolarHBondContact SG-CB 3.4Å; C529-C563 CovalentContact SG-SG 2.01Å; C529-C563 PolarHBondContact SG-SG 3.38Å | ||
| 530 | E | 77.1 | Confident | 58.6 | Low | 104 Ų | 104 | 114.4 Ų | 114.4 | 49% | 0.486 | 59% | 0.59 | S | S | . | * | trans | -125.1 | 147.7 | -179 | -60.5 | -165.5 | 147.5 | 0 | 0 | 112.5 | E528 Q532 P557 | E528-E530 HydrophobicContact CB-CG 4.45Å; E528-E530 PolarHBondContact O-N 3.24Å; E528-E530 VanDerWaalsContact O-N 3.1Å; E530-Q532 PolarHBondContact O-N 3.06Å; E530-Q532 PolarHBondContact O-NE2 3.48Å; E530-Q532 VanDerWaalsContact O-NE2 3.15Å; E530-P557 WeakPolarHBondContact O-CG 3.26Å | ||
| 531 | D | 81 | Confident | 60.6 | Low | 50 Ų | 50 | 114.7 Ų | 114.7 | 27% | 0.267 | 59% | 0.592 | S | S | . | * | trans | -67.1 | 125 | 171.9 | -75.2 | -24.8 | 0 | 0 | 0 | 110.3 | S533 C536 C556 K558 T559 | D531-S533 VanDerWaalsContact C-N 3.33Å; D531-C536 HydrophobicContact CB-CB 3.9Å; D531-C556 WeakPolarHBondContact OD1-CA 3.47Å; D531-K558 WeakPolarHBondContact OD1-CA 3.32Å; D531-K558 WeakPolarHBondContact OD1-CB 3.45Å; D531-K558 PolarHBondContact OD1-N 2.93Å; D531-T559 PolarHBondContact OD1-N 2.88Å; D531-T559 WeakPolarHBondContact OD2-CB 3.45Å; D531-T559 PolarHBondContact OD2-N 3.44Å; D531-T559 PolarHBondContact OD2-OG1 3.45Å | ||
| 532 | Q | 76.4 | Confident | 62.9 | Low | 144 Ų | 144 | 109.1 Ų | 109.1 | 67% | 0.673 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -85.5 | -6.3 | -176.8 | -57.9 | -62.5 | -53 | 0 | 0 | 113 | E530 M555 | E530-Q532 PolarHBondContact O-N 3.06Å; E530-Q532 PolarHBondContact O-NE2 3.48Å; E530-Q532 VanDerWaalsContact O-NE2 3.15Å; Q532-M555 WeakPolarHBondContact CA-O 3.4Å; Q532-M555 WeakPolarHBondContact CB-O 3.27Å; Q532-M555 PolarHBondContact N-O 3.03Å |
| 533 | S | 78 | Confident | 65.2 | Low | 30 Ų | 30 | 103.4 Ų | 103.4 | 21% | 0.21 | 55% | 0.549 | C | S | . | . | trans | -128.9 | 135.7 | -177.4 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | D531 L535 C536 M555 | D531-S533 VanDerWaalsContact C-N 3.33Å; S533-L535 PolarHBondContact O-N 2.85Å; S533-L535 VanDerWaalsContact O-N 3.15Å; S533-L535 WeakPolarHBondContact OG-CB 2.97Å; S533-L535 PolarHBondContact OG-N 3.36Å; S533-L535 VanDerWaalsContact OG-N 3.13Å; S533-C536 WeakPolarHBondContact O-CB 3.28Å; S533-C536 PolarHBondContact O-N 3.27Å; S533-C536 VanDerWaalsContact O-N 3.1Å; S533-C536 PolarHBondContact O-SG 3.2Å; S533-M555 VanDerWaalsContact CB-CG 3.43Å; S533-M555 PolarHBondContact N-O 3.32Å | ||
| 534 | L | 78.3 | Confident | 67.3 | Low | 169 Ų | 169 | 102.6 Ų | 102.6 | 89% | 0.885 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.2 | 170.5 | -65.3 | 169.2 | 0 | 0 | 0 | 112.3 | C536 S537 | L534-C536 VanDerWaalsContact C-N 3.33Å; L534-S537 PolarHBondContact O-OG 3.37Å; L534-S537 VanDerWaalsContact O-OG 3.05Å |
| 535 | L | 76.9 | Confident | 69.5 | Low | 94 Ų | 94 | 95.5 Ų | 95.5 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -7 | 177.6 | -59.7 | 172.5 | 0 | 0 | 0 | 113.4 | S533 S537 Y538 Y539 | S533-L535 PolarHBondContact O-N 2.85Å; S533-L535 VanDerWaalsContact O-N 3.15Å; S533-L535 WeakPolarHBondContact OG-CB 2.97Å; S533-L535 PolarHBondContact OG-N 3.36Å; S533-L535 VanDerWaalsContact OG-N 3.13Å; L535-S537 PolarHBondContact O-N 3.28Å; L535-Y538 WeakPolarHBondContact O-CA 3.43Å; L535-Y538 VanDerWaalsContact O-CB 3.29Å; L535-Y538 WeakPolarHBondContact O-CB 3.29Å; L535-Y538 PolarHBondContact O-N 2.9Å; L535-Y539 HydrophobicContact CB-CD2 4.11Å; L535-Y539 HydrophobicContact CB-CE2 3.57Å; L535-Y539 WeakPolarHBondContact O-CD2 3.41Å; L535-Y539 PolarHBondContact O-N 3.4Å; L535-Y539 VanDerWaalsContact O-N 3.09Å |
| 536 | C | 80.5 | Confident | 71.5 | Confident | 1 Ų | 1 | 98.4 Ų | 98.4 | 1% | 0.007 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -59.3 | -33 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 112 | D531 S533 L534 Y538 Y539 K540 M555 C556 T559 | D531-C536 HydrophobicContact CB-CB 3.9Å; S533-C536 WeakPolarHBondContact O-CB 3.28Å; S533-C536 PolarHBondContact O-N 3.27Å; S533-C536 VanDerWaalsContact O-N 3.1Å; S533-C536 PolarHBondContact O-SG 3.2Å; L534-C536 VanDerWaalsContact C-N 3.33Å; C536-Y538 VanDerWaalsContact C-N 3.25Å; C536-Y538 PolarHBondContact O-N 3.45Å; C536-Y539 PolarHBondContact O-N 3Å; C536-Y539 VanDerWaalsContact O-N 3.15Å; C536-K540 PolarHBondContact O-N 3.05Å; C536-K540 VanDerWaalsContact O-N 3.07Å; C536-M555 PolarHBondContact SG-O 2.95Å; C536-C556 WeakPolarHBondContact CA-SG 3.28Å; C536-C556 HydrophobicContact CB-CB 3.78Å; C536-C556 WeakPolarHBondContact CB-SG 3.49Å; C536-C556 WeakPolarHBondContact SG-CA 3.38Å; C536-C556 WeakPolarHBondContact SG-CB 2.76Å; C536-C556 CovalentContact SG-SG 2.03Å; C536-C556 PolarHBondContact SG-SG 3.26Å; C536-T559 HydrophobicContact CB-CG2 4.22Å; C536-T559 WeakPolarHBondContact CB-OG1 3.45Å; C536-T559 VanDerWaalsContact O-CG2 3.26Å; C536-T559 WeakPolarHBondContact O-CG2 3.17Å |
| 537 | S | 77.9 | Confident | 73.6 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.6 | -35.3 | 170.7 | 60.5 | 0 | 0 | 0 | 0 | 114 | L534 L535 | L534-S537 PolarHBondContact O-OG 3.37Å; L534-S537 VanDerWaalsContact O-OG 3.05Å; L535-S537 PolarHBondContact O-N 3.28Å |
| 538 | Y | 74.4 | Confident | 74.7 | Confident | 161 Ų | 161 | 93.6 Ų | 93.6 | 63% | 0.631 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.6 | -40.2 | 176.2 | 178.9 | -97.7 | 0 | 0 | 0 | 111.4 | L535 C536 K540 T542 | L535-Y538 WeakPolarHBondContact O-CA 3.43Å; L535-Y538 VanDerWaalsContact O-CB 3.29Å; L535-Y538 WeakPolarHBondContact O-CB 3.29Å; L535-Y538 PolarHBondContact O-N 2.9Å; C536-Y538 VanDerWaalsContact C-N 3.25Å; C536-Y538 PolarHBondContact O-N 3.45Å; Y538-K540 VanDerWaalsContact C-N 3.28Å; Y538-K540 PolarHBondContact O-N 3.15Å; Y538-T542 HydrophobicContact CE1-CG2 4.35Å |
| 539 | Y | 73.9 | Confident | 75.3 | Confident | 50 Ų | 50 | 93.5 Ų | 93.5 | 20% | 0.196 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -72 | -19.5 | -178.1 | -63.1 | -52.4 | 0 | 0 | 0 | 114.6 | L535 C536 N541 T542 E544 M552 M555 | L535-Y539 HydrophobicContact CB-CD2 4.11Å; L535-Y539 HydrophobicContact CB-CE2 3.57Å; L535-Y539 WeakPolarHBondContact O-CD2 3.41Å; L535-Y539 PolarHBondContact O-N 3.4Å; L535-Y539 VanDerWaalsContact O-N 3.09Å; C536-Y539 PolarHBondContact O-N 3Å; C536-Y539 VanDerWaalsContact O-N 3.15Å; Y539-N541 PolarHBondContact O-N 3.39Å; Y539-N541 VanDerWaalsContact O-N 3.09Å; Y539-T542 WeakPolarHBondContact CA-OG1 3.39Å; Y539-T542 PolarHBondContact O-N 2.89Å; Y539-T542 PolarHBondContact O-OG1 2.78Å; Y539-E544 HydrophobicContact CD1-CB 4.12Å; Y539-E544 HydrophobicContact CD1-CG 3.71Å; Y539-E544 HydrophobicContact CE1-CG 4.12Å; Y539-M552 VanDerWaalsContact CB-CE 3.47Å; Y539-M552 HydrophobicContact CD2-CE 3.92Å; Y539-M552 HydrophobicContact CD2-SD 4.32Å; Y539-M552 HydrophobicContact CG-CE 3.8Å; Y539-M552 HydrophobicContact CG-SD 4.37Å; Y539-M555 HydrophobicContact CE2-SD 4.3Å |
| 540 | K | 73.1 | Confident | 75 | Confident | 150 Ų | 150 | 97.7 Ų | 97.7 | 65% | 0.652 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -36.2 | 176.5 | -172 | 176 | -178.5 | 177.4 | 0 | 113.8 | C536 Y538 T559 | C536-K540 PolarHBondContact O-N 3.05Å; C536-K540 VanDerWaalsContact O-N 3.07Å; Y538-K540 VanDerWaalsContact C-N 3.28Å; Y538-K540 PolarHBondContact O-N 3.15Å; K540-T559 HydrophobicContact CB-CG2 4.13Å |
| 541 | N | 72.7 | Confident | 74.4 | Confident | 152 Ų | 152 | 97 Ų | 97 | 81% | 0.813 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 12.6 | -177.1 | -63.6 | -24.7 | 0 | 0 | 0 | 113.5 | Y539 | Y539-N541 PolarHBondContact O-N 3.39Å; Y539-N541 VanDerWaalsContact O-N 3.09Å |
| 542 | T | 78.1 | Confident | 74.1 | Confident | 49 Ų | 49 | 94.8 Ų | 94.8 | 30% | 0.301 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -110.6 | 162.5 | -179 | 67 | 0 | 0 | 0 | 0 | 110.9 | Y538 Y539 E544 | Y538-T542 HydrophobicContact CE1-CG2 4.35Å; Y539-T542 WeakPolarHBondContact CA-OG1 3.39Å; Y539-T542 PolarHBondContact O-N 2.89Å; Y539-T542 PolarHBondContact O-OG1 2.78Å; T542-E544 PolarHBondContact O-N 2.91Å; T542-E544 VanDerWaalsContact OG1-CB 3.29Å; T542-E544 WeakPolarHBondContact OG1-CB 3.41Å; T542-E544 WeakPolarHBondContact OG1-CG 3.45Å; T542-E544 PolarHBondContact OG1-N 2.95Å |
| 543 | S | 81.4 | Confident | 73.7 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 9.9 | 173 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | C545 K546 T547 | S543-C545 PolarHBondContact O-N 2.88Å; S543-K546 PolarHBondContact O-N 3.35Å; S543-K546 VanDerWaalsContact O-N 3.11Å; S543-T547 PolarHBondContact O-N 3.22Å; S543-T547 PolarHBondContact O-OG1 3.44Å |
| 544 | E | 78.6 | Confident | 73.1 | Confident | 59 Ų | 59 | 97 Ų | 97 | 28% | 0.276 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | -175.3 | -67.9 | -68.1 | 157.6 | 0 | 0 | 112.5 | Y539 T542 K546 T547 N548 M552 | Y539-E544 HydrophobicContact CD1-CB 4.12Å; Y539-E544 HydrophobicContact CD1-CG 3.71Å; Y539-E544 HydrophobicContact CE1-CG 4.12Å; T542-E544 PolarHBondContact O-N 2.91Å; T542-E544 VanDerWaalsContact OG1-CB 3.29Å; T542-E544 WeakPolarHBondContact OG1-CB 3.41Å; T542-E544 WeakPolarHBondContact OG1-CG 3.45Å; T542-E544 PolarHBondContact OG1-N 2.95Å; E544-K546 PolarHBondContact O-N 2.77Å; E544-K546 VanDerWaalsContact O-N 3.08Å; E544-T547 WeakPolarHBondContact CA-OG1 3.47Å; E544-T547 PolarHBondContact O-N 3.36Å; E544-N548 WeakPolarHBondContact O-CA 3.41Å; E544-N548 PolarHBondContact O-N 2.96Å; E544-N548 PolarHBondContact OE2-ND2 3.49Å; E544-M552 HydrophobicContact CB-CE 4.22Å; E544-M552 HydrophobicContact CB-CG 4.15Å; E544-M552 HydrophobicContact CB-SD 4.01Å; E544-M552 WeakPolarHBondContact O-CG 3.31Å |
| 545 | C | 75.9 | Confident | 73.1 | Confident | 39 Ų | 39 | 91.4 Ų | 91.4 | 26% | 0.264 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.5 | -24.3 | 176 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | S543 C560 | S543-C545 PolarHBondContact O-N 2.88Å; C545-C560 HydrophobicContact CB-CB 3.78Å; C545-C560 WeakPolarHBondContact CB-SG 3.09Å; C545-C560 VanDerWaalsContact SG-CA 3.54Å; C545-C560 WeakPolarHBondContact SG-CB 3.44Å; C545-C560 CovalentContact SG-SG 2.05Å; C545-C560 PolarHBondContact SG-SG 3.46Å |
| 546 | K | 74.6 | Confident | 73.3 | Confident | 193 Ų | 193 | 87 Ų | 87 | 84% | 0.839 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -93.8 | -40.3 | 177.7 | -68.7 | -178.9 | 179.3 | 176.8 | 0 | 112.9 | S543 E544 | S543-K546 PolarHBondContact O-N 3.35Å; S543-K546 VanDerWaalsContact O-N 3.11Å; E544-K546 PolarHBondContact O-N 2.77Å; E544-K546 VanDerWaalsContact O-N 3.08Å |
| 547 | T | 74.7 | Confident | 73.2 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 54% | 0.54 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -84.1 | -34.3 | -174.1 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | S543 E544 | S543-T547 PolarHBondContact O-N 3.22Å; S543-T547 PolarHBondContact O-OG1 3.44Å; E544-T547 WeakPolarHBondContact CA-OG1 3.47Å; E544-T547 PolarHBondContact O-N 3.36Å |
| 548 | N | 66.8 | Low | 73.4 | Confident | 67 Ų | 67 | 89.4 Ų | 89.4 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -120.5 | 47.3 | -176.4 | -72.9 | -43.3 | 0 | 0 | 0 | 111.4 | E544 I550 I551 M552 | E544-N548 WeakPolarHBondContact O-CA 3.41Å; E544-N548 PolarHBondContact O-N 2.96Å; E544-N548 PolarHBondContact OE2-ND2 3.49Å; N548-I550 VanDerWaalsContact C-N 3.31Å; N548-I550 PolarHBondContact O-N 3.32Å; N548-I550 VanDerWaalsContact O-N 3.16Å; N548-I551 PolarHBondContact O-N 3.44Å; N548-I551 VanDerWaalsContact O-N 3.1Å; N548-M552 HydrophobicContact CB-CG 4.27Å; N548-M552 WeakPolarHBondContact O-CB 3.01Å; N548-M552 WeakPolarHBondContact O-CG 3.45Å; N548-M552 PolarHBondContact O-N 3.13Å |
| 549 | K | 63.7 | Low | 73.9 | Confident | 140 Ų | 140 | 83.2 Ų | 83.2 | 61% | 0.609 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -47.2 | -47.9 | -173.6 | -170.7 | 175.6 | -178 | -178.7 | 0 | 113.2 | I551 M552 L553 | K549-I551 PolarHBondContact O-N 3.49Å; K549-M552 PolarHBondContact O-N 3.25Å; K549-L553 HydrophobicContact CG-CD1 3.8Å; K549-L553 HydrophobicContact CG-CG 4.27Å; K549-L553 VanDerWaalsContact O-CB 3.28Å; K549-L553 WeakPolarHBondContact O-CB 3.49Å; K549-L553 WeakPolarHBondContact O-CD1 3.15Å; K549-L553 WeakPolarHBondContact O-CG 3.47Å; K549-L553 PolarHBondContact O-N 3.46Å |
| 550 | I | 60.3 | Low | 74.3 | Confident | 141 Ų | 141 | 81.7 Ų | 81.7 | 72% | 0.723 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.6 | -48.4 | -177.9 | -63 | 174.2 | 0 | 0 | 0 | 111.6 | N548 E554 | N548-I550 VanDerWaalsContact C-N 3.31Å; N548-I550 PolarHBondContact O-N 3.32Å; N548-I550 VanDerWaalsContact O-N 3.16Å; I550-E554 PolarHBondContact O-N 2.95Å |
| 551 | I | 65.2 | Low | 74.5 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.7 | -40 | -176.8 | -66.1 | 169.1 | 0 | 0 | 0 | 110.6 | N548 K549 E554 M555 | N548-I551 PolarHBondContact O-N 3.44Å; N548-I551 VanDerWaalsContact O-N 3.1Å; K549-I551 PolarHBondContact O-N 3.49Å; I551-E554 PolarHBondContact O-N 2.99Å; I551-M555 HydrophobicContact CG2-CE 3.4Å; I551-M555 VanDerWaalsContact O-CB 3.26Å; I551-M555 WeakPolarHBondContact O-CB 3.48Å; I551-M555 PolarHBondContact O-N 3.23Å |
| 552 | M | 74.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.1 | -30.1 | -178.2 | -69.4 | -53.3 | -66.2 | 0 | 0 | 113.3 | Y539 E544 N548 K549 E554 M555 C556 C560 | Y539-M552 VanDerWaalsContact CB-CE 3.47Å; Y539-M552 HydrophobicContact CD2-CE 3.92Å; Y539-M552 HydrophobicContact CD2-SD 4.32Å; Y539-M552 HydrophobicContact CG-CE 3.8Å; Y539-M552 HydrophobicContact CG-SD 4.37Å; E544-M552 HydrophobicContact CB-CE 4.22Å; E544-M552 HydrophobicContact CB-CG 4.15Å; E544-M552 HydrophobicContact CB-SD 4.01Å; E544-M552 WeakPolarHBondContact O-CG 3.31Å; N548-M552 HydrophobicContact CB-CG 4.27Å; N548-M552 WeakPolarHBondContact O-CB 3.01Å; N548-M552 WeakPolarHBondContact O-CG 3.45Å; N548-M552 PolarHBondContact O-N 3.13Å; K549-M552 PolarHBondContact O-N 3.25Å; M552-E554 VanDerWaalsContact C-N 3.26Å; M552-E554 PolarHBondContact O-N 2.82Å; M552-M555 HydrophobicContact SD-CE 4.34Å; M552-C556 HydrophobicContact CE-CB 3.67Å; M552-C556 CarbonylContact O-C 3.51Å; M552-C556 VanDerWaalsContact O-CA 3.31Å; M552-C556 WeakPolarHBondContact O-CA 2.99Å; M552-C556 PolarHBondContact O-N 3.01Å; M552-C560 WeakPolarHBondContact CE-SG 3.42Å |
| 553 | L | 69.4 | Low | 73.4 | Confident | 70 Ų | 70 | 78.4 Ų | 78.4 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.1 | -27.7 | 171.3 | -75 | 175.4 | 0 | 0 | 0 | 112.9 | K549 P557 S562 | K549-L553 HydrophobicContact CG-CD1 3.8Å; K549-L553 HydrophobicContact CG-CG 4.27Å; K549-L553 VanDerWaalsContact O-CB 3.28Å; K549-L553 WeakPolarHBondContact O-CB 3.49Å; K549-L553 WeakPolarHBondContact O-CD1 3.15Å; K549-L553 WeakPolarHBondContact O-CG 3.47Å; K549-L553 PolarHBondContact O-N 3.46Å; L553-P557 WeakPolarHBondContact O-CB 3.34Å; L553-S562 WeakPolarHBondContact CD2-OG 3.18Å |
| 554 | E | 65.2 | Low | 72.2 | Confident | 151 Ų | 151 | 80.8 Ų | 80.8 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -88.8 | -39.5 | 178.9 | -165.9 | 174 | -168.2 | 0 | 0 | 111.7 | I550 I551 M552 | I550-E554 PolarHBondContact O-N 2.95Å; I551-E554 PolarHBondContact O-N 2.99Å; M552-E554 VanDerWaalsContact C-N 3.26Å; M552-E554 PolarHBondContact O-N 2.82Å |
| 555 | M | 77 | Confident | 70.9 | Confident | 52 Ų | 52 | 84.6 Ų | 84.6 | 26% | 0.256 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -90 | -36.5 | -173.7 | -168.7 | -176.9 | -4.6 | 0 | 0 | 113.5 | Q532 S533 C536 Y539 I551 M552 P557 | Q532-M555 WeakPolarHBondContact CA-O 3.4Å; Q532-M555 WeakPolarHBondContact CB-O 3.27Å; Q532-M555 PolarHBondContact N-O 3.03Å; S533-M555 VanDerWaalsContact CB-CG 3.43Å; S533-M555 PolarHBondContact N-O 3.32Å; C536-M555 PolarHBondContact SG-O 2.95Å; Y539-M555 HydrophobicContact CE2-SD 4.3Å; I551-M555 HydrophobicContact CG2-CE 3.4Å; I551-M555 VanDerWaalsContact O-CB 3.26Å; I551-M555 WeakPolarHBondContact O-CB 3.48Å; I551-M555 PolarHBondContact O-N 3.23Å; M552-M555 HydrophobicContact SD-CE 4.34Å; M555-P557 VanDerWaalsContact C-CD 3.47Å |
| 556 | C | 82.4 | Confident | 69.9 | Low | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 45% | 0.447 | C | S | . | . | trans | -137 | 49.3 | -170.1 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | D531 C536 M552 K558 T559 C560 | D531-C556 WeakPolarHBondContact OD1-CA 3.47Å; C536-C556 WeakPolarHBondContact CA-SG 3.28Å; C536-C556 HydrophobicContact CB-CB 3.78Å; C536-C556 WeakPolarHBondContact CB-SG 3.49Å; C536-C556 WeakPolarHBondContact SG-CA 3.38Å; C536-C556 WeakPolarHBondContact SG-CB 2.76Å; C536-C556 CovalentContact SG-SG 2.03Å; C536-C556 PolarHBondContact SG-SG 3.26Å; M552-C556 HydrophobicContact CE-CB 3.67Å; M552-C556 CarbonylContact O-C 3.51Å; M552-C556 VanDerWaalsContact O-CA 3.31Å; M552-C556 WeakPolarHBondContact O-CA 2.99Å; M552-C556 PolarHBondContact O-N 3.01Å; C556-K558 PolarHBondContact O-N 3.36Å; C556-T559 HydrophobicContact CB-CG2 4.39Å; C556-T559 PolarHBondContact O-N 3.42Å; C556-C560 WeakPolarHBondContact O-CB 3.39Å; C556-C560 PolarHBondContact O-N 2.7Å | ||
| 557 | P | 78.6 | Confident | 69.6 | Low | 19 Ų | 19 | 80.1 Ų | 80.1 | 12% | 0.123 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.1 | -173.8 | 25.4 | -35.3 | 0 | 0 | 0 | 113.5 | E530 L553 M555 E561 S562 | E530-P557 WeakPolarHBondContact O-CG 3.26Å; L553-P557 WeakPolarHBondContact O-CB 3.34Å; M555-P557 VanDerWaalsContact C-CD 3.47Å; P557-E561 PolarHBondContact O-N 3.4Å; P557-S562 PolarHBondContact O-N 3.24Å |
| 558 | K | 82.1 | Confident | 69.7 | Low | 125 Ų | 125 | 81.2 Ų | 81.2 | 54% | 0.543 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -42.5 | 178.6 | -173.3 | -180 | -175.9 | 171.2 | 0 | 111.2 | D531 C556 C560 E561 | D531-K558 WeakPolarHBondContact OD1-CA 3.32Å; D531-K558 WeakPolarHBondContact OD1-CB 3.45Å; D531-K558 PolarHBondContact OD1-N 2.93Å; C556-K558 PolarHBondContact O-N 3.36Å; K558-C560 VanDerWaalsContact C-N 3.33Å; K558-C560 PolarHBondContact O-N 3.47Å; K558-E561 PolarHBondContact O-N 3.45Å |
| 559 | T | 84.6 | Confident | 70.5 | Confident | 31 Ų | 31 | 79.8 Ų | 79.8 | 19% | 0.19 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -34 | 174.4 | -79.5 | 0 | 0 | 0 | 0 | 112.6 | D531 C536 K540 C556 E561 | D531-T559 PolarHBondContact OD1-N 2.88Å; D531-T559 WeakPolarHBondContact OD2-CB 3.45Å; D531-T559 PolarHBondContact OD2-N 3.44Å; D531-T559 PolarHBondContact OD2-OG1 3.45Å; C536-T559 HydrophobicContact CB-CG2 4.22Å; C536-T559 WeakPolarHBondContact CB-OG1 3.45Å; C536-T559 VanDerWaalsContact O-CG2 3.26Å; C536-T559 WeakPolarHBondContact O-CG2 3.17Å; K540-T559 HydrophobicContact CB-CG2 4.13Å; C556-T559 HydrophobicContact CB-CG2 4.39Å; C556-T559 PolarHBondContact O-N 3.42Å; T559-E561 VanDerWaalsContact C-N 3.34Å |
| 560 | C | 81.6 | Confident | 71.2 | Confident | 18 Ų | 18 | 78 Ų | 78 | 12% | 0.122 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 21 | 177.7 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | C545 M552 C556 K558 S562 | C545-C560 HydrophobicContact CB-CB 3.78Å; C545-C560 WeakPolarHBondContact CB-SG 3.09Å; C545-C560 VanDerWaalsContact SG-CA 3.54Å; C545-C560 WeakPolarHBondContact SG-CB 3.44Å; C545-C560 CovalentContact SG-SG 2.05Å; C545-C560 PolarHBondContact SG-SG 3.46Å; M552-C560 WeakPolarHBondContact CE-SG 3.42Å; C556-C560 WeakPolarHBondContact O-CB 3.39Å; C556-C560 PolarHBondContact O-N 2.7Å; K558-C560 VanDerWaalsContact C-N 3.33Å; K558-C560 PolarHBondContact O-N 3.47Å; C560-S562 PolarHBondContact O-N 2.82Å; C560-S562 PolarHBondContact O-OG 2.94Å |
| 561 | E | 76.7 | Confident | 72.3 | Confident | 183 Ų | 183 | 72.7 Ų | 72.7 | 86% | 0.855 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 30.9 | 171.8 | -59.4 | -179.5 | 176 | 0 | 0 | 114.5 | P557 K558 T559 | P557-E561 PolarHBondContact O-N 3.4Å; K558-E561 PolarHBondContact O-N 3.45Å; T559-E561 VanDerWaalsContact C-N 3.34Å |
| 562 | S | 66.6 | Low | 73.2 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -111.4 | 19.8 | -173.4 | -66.1 | 0 | 0 | 0 | 0 | 113.6 | L553 P557 C560 E564 | L553-S562 WeakPolarHBondContact CD2-OG 3.18Å; P557-S562 PolarHBondContact O-N 3.24Å; C560-S562 PolarHBondContact O-N 2.82Å; C560-S562 PolarHBondContact O-OG 2.94Å; S562-E564 VanDerWaalsContact C-N 3.31Å; S562-E564 PolarHBondContact O-N 2.78Å | ||
| 563 | C | 62.9 | Low | 73.6 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 34% | 0.338 | 41% | 0.408 | S | S | . | . | trans | -71.3 | 88.2 | 165.5 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | C529 T565 | C529-C563 HydrophobicContact CB-CB 3.6Å; C529-C563 WeakPolarHBondContact CB-SG 3.35Å; C529-C563 WeakPolarHBondContact SG-CA 3.26Å; C529-C563 WeakPolarHBondContact SG-CB 3.4Å; C529-C563 CovalentContact SG-SG 2.01Å; C529-C563 PolarHBondContact SG-SG 3.38Å; C563-T565 PolarHBondContact O-N 3.47Å | ||
| 564 | E | 54.6 | Low | 74.3 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 60% | 0.598 | 42% | 0.42 | S | S | * | . | trans | -65.6 | 120.3 | 176.7 | -80.3 | 176.3 | 163.3 | 0 | 0 | 111.2 | S562 N566 | S562-E564 VanDerWaalsContact C-N 3.31Å; S562-E564 PolarHBondContact O-N 2.78Å; E564-N566 VanDerWaalsContact C-N 3.28Å | ||
| 565 | T | 52.1 | Low | 75.1 | Confident | 139 Ų | 139 | 73.5 Ų | 73.5 | 85% | 0.853 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -80.2 | -9.6 | 172.8 | 46.9 | 0 | 0 | 0 | 0 | 113.1 | C563 | C563-T565 PolarHBondContact O-N 3.47Š|
| 566 | N | 55.5 | Low | 75.6 | Confident | 102 Ų | 102 | 71 Ų | 71 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -117.8 | 123.4 | 177.1 | -73.3 | -14.7 | 0 | 0 | 0 | 108.9 | E564 E568 | E564-N566 VanDerWaalsContact C-N 3.28Å; N566-E568 HydrophobicContact CB-CG 4.4Å; N566-E568 PolarHBondContact O-N 3.05Å |
| 567 | C | 66.9 | Low | 75.8 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 24% | 0.243 | 41% | 0.41 | C | S | . | . | trans | -79.6 | 109.8 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | C602 | C567-C602 HydrophobicContact CB-CB 3.23Å; C567-C602 WeakPolarHBondContact CB-SG 3.45Å; C567-C602 WeakPolarHBondContact SG-CB 3.3Å; C567-C602 CovalentContact SG-SG 1.97Å; C567-C602 PolarHBondContact SG-SG 3.48Å | ||
| 568 | E | 77.9 | Confident | 75.9 | Confident | 112 Ų | 112 | 76.5 Ų | 76.5 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | trans | -127 | 163.6 | 175.2 | -63.2 | -177 | -175 | 0 | 0 | 110.1 | N566 | N566-E568 HydrophobicContact CB-CG 4.4Å; N566-E568 PolarHBondContact O-N 3.05Å | ||
| 569 | D | 82.5 | Confident | 75.8 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 19% | 0.193 | 40% | 0.397 | C | S | . | . | trans | -80.3 | 127.8 | 168.2 | -69.5 | -34.7 | 0 | 0 | 0 | 108.9 | C576 R594 C595 K596 K597 S598 | D569-C576 HydrophobicContact CB-CB 4.48Å; D569-R594 CarbonylContact C-O 3.56Å; D569-C595 WeakPolarHBondContact OD1-CA 3.47Å; D569-K596 PolarHBondContact OD1-N 3.19Å; D569-K597 WeakPolarHBondContact OD1-CA 3.29Å; D569-K597 WeakPolarHBondContact OD1-CB 3.45Å; D569-K597 PolarHBondContact OD1-N 2.04Å; D569-S598 PolarHBondContact OD1-N 3.17Å; D569-S598 VanDerWaalsContact OD2-CB 3.31Å; D569-S598 WeakPolarHBondContact OD2-CB 3.13Å; D569-S598 PolarHBondContact OD2-N 3.43Å; D569-S598 PolarHBondContact OD2-OG 3.18Å | ||
| 570 | I | 79.3 | Confident | 75.8 | Confident | 102 Ų | 102 | 72.6 Ų | 72.6 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -71.7 | -39.2 | 175.3 | -59 | 179.8 | 0 | 0 | 0 | 110.1 | R594 | I570-R594 WeakPolarHBondContact CA-O 3.06Å; I570-R594 HydrophobicContact CB-CB 4.39Å; I570-R594 WeakPolarHBondContact CB-O 3.43Å; I570-R594 PolarHBondContact N-O 2.91Å |
| 571 | D | 82.2 | Confident | 75.7 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 17% | 0.166 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -84 | 153.1 | 175 | -77.1 | -42.8 | 0 | 0 | 0 | 111.6 | V575 C576 R594 | D571-V575 HydrophobicContact CB-CB 4.05Å; D571-V575 HydrophobicContact CB-CG1 3.76Å; D571-C576 PolarHBondContact O-SG 2.74Å; D571-R594 PolarHBondContact N-O 3.27Å; D571-R594 IonicContact OD1-CZ 3.13Å; D571-R594 IonicContact OD1-NE 2.66Å; D571-R594 IonicContact OD1-NH2 3.35Å; D571-R594 PolarHBondContact OD1-NH2 2.82Å; D571-R594 WeakPolarHBondContact OD2-CB 3.26Å; D571-R594 IonicContact OD2-CZ 3.74Å; D571-R594 IonicContact OD2-NE 3.73Å; D571-R594 PolarHBondContact OD2-NE 3.1Å; D571-R594 IonicContact OD2-NH2 2.77Å; D571-R594 PolarHBondContact OD2-NH2 3.48Å |
| 572 | S | 84.5 | Confident | 75.9 | Confident | 68 Ų | 68 | 74.3 Ų | 74.3 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | trans | -55.7 | 147.8 | 177.6 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | S574 V575 C576 | S572-S574 PolarHBondContact O-N 3.09Å; S572-S574 PolarHBondContact OG-OG 3.05Å; S572-V575 WeakPolarHBondContact O-CA 3.34Å; S572-V575 WeakPolarHBondContact O-CB 3.44Å; S572-V575 PolarHBondContact O-N 2.76Å; S572-V575 VanDerWaalsContact OG-CG2 3.28Å; S572-V575 WeakPolarHBondContact OG-CG2 3.38Å; S572-C576 PolarHBondContact O-N 3.23Å | ||
| 573 | L | 84.1 | Confident | 76.5 | Confident | 116 Ų | 116 | 73.3 Ų | 73.3 | 61% | 0.607 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -50.6 | -35.6 | -179.7 | -174.6 | 64 | 0 | 0 | 0 | 113.3 | N577 | L573-N577 WeakPolarHBondContact O-CB 3.41Å; L573-N577 PolarHBondContact O-N 3.17Å; L573-N577 PolarHBondContact O-ND2 3.12Å |
| 574 | S | 82.2 | Confident | 77.3 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 60% | 0.601 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 175.8 | 56 | 0 | 0 | 0 | 0 | 113 | S572 D578 | S572-S574 PolarHBondContact O-N 3.09Å; S572-S574 PolarHBondContact OG-OG 3.05Å; S574-D578 WeakPolarHBondContact O-CB 3.12Å; S574-D578 PolarHBondContact O-N 3.4Å |
| 575 | V | 83 | Confident | 78.7 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | D571 S572 D578 L579 | D571-V575 HydrophobicContact CB-CB 4.05Å; D571-V575 HydrophobicContact CB-CG1 3.76Å; S572-V575 WeakPolarHBondContact O-CA 3.34Å; S572-V575 WeakPolarHBondContact O-CB 3.44Å; S572-V575 PolarHBondContact O-N 2.76Å; S572-V575 VanDerWaalsContact OG-CG2 3.28Å; S572-V575 WeakPolarHBondContact OG-CG2 3.38Å; V575-D578 PolarHBondContact O-N 3.31Å; V575-L579 HydrophobicContact CG1-CD1 4.09Å; V575-L579 WeakPolarHBondContact O-CG 3.23Å; V575-L579 PolarHBondContact O-N 3Å |
| 576 | C | 88 | Confident | 79.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 178.5 | -70.1 | 0 | 0 | 0 | 0 | 113 | D569 D571 S572 D578 L579 V580 C595 S598 | D569-C576 HydrophobicContact CB-CB 4.48Å; D571-C576 PolarHBondContact O-SG 2.74Å; S572-C576 PolarHBondContact O-N 3.23Å; C576-D578 VanDerWaalsContact C-N 3.33Å; C576-D578 PolarHBondContact O-N 3.36Å; C576-L579 PolarHBondContact O-N 3.36Å; C576-V580 VanDerWaalsContact O-CG2 3.26Å; C576-V580 WeakPolarHBondContact O-CG2 3.4Å; C576-V580 PolarHBondContact O-N 2.99Å; C576-C595 WeakPolarHBondContact CA-SG 3.49Å; C576-C595 HydrophobicContact CB-CB 3.65Å; C576-C595 WeakPolarHBondContact CB-SG 3.44Å; C576-C595 VanDerWaalsContact SG-CA 3.54Å; C576-C595 WeakPolarHBondContact SG-CB 3.48Å; C576-C595 CovalentContact SG-SG 2.04Å; C576-C595 PolarHBondContact SG-SG 3.04Å; C576-S598 VanDerWaalsContact CB-OG 3.3Å; C576-S598 WeakPolarHBondContact CB-OG 3.47Å |
| 577 | N | 86.5 | Confident | 80.3 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 171.6 | -74.7 | -17.9 | 0 | 0 | 0 | 111.7 | L573 V580 Q581 | L573-N577 WeakPolarHBondContact O-CB 3.41Å; L573-N577 PolarHBondContact O-N 3.17Å; L573-N577 PolarHBondContact O-ND2 3.12Å; N577-V580 PolarHBondContact O-N 2.99Å; N577-Q581 WeakPolarHBondContact O-CB 3.43Å; N577-Q581 WeakPolarHBondContact O-CG 3.43Å; N577-Q581 PolarHBondContact O-N 3.19Å |
| 578 | D | 80.2 | Confident | 80.6 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 32% | 0.316 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.8 | -175.1 | 64.3 | 0 | 0 | 0 | 111.5 | S574 V575 C576 Q581 R582 | S574-D578 WeakPolarHBondContact O-CB 3.12Å; S574-D578 PolarHBondContact O-N 3.4Å; V575-D578 PolarHBondContact O-N 3.31Å; C576-D578 VanDerWaalsContact C-N 3.33Å; C576-D578 PolarHBondContact O-N 3.36Å; D578-Q581 PolarHBondContact O-N 3.37Å; D578-R582 WeakPolarHBondContact O-CB 3.38Å; D578-R582 VanDerWaalsContact O-CG 3.23Å; D578-R582 WeakPolarHBondContact O-CG 3.47Å; D578-R582 PolarHBondContact O-N 2.93Å; D578-R582 IonicContact OD1-CZ 3.69Å; D578-R582 VanDerWaalsContact OD1-CZ 3.26Å; D578-R582 IonicContact OD1-NE 3.11Å; D578-R582 PolarHBondContact OD1-NE 2.74Å; D578-R582 IonicContact OD1-NH2 2.69Å; D578-R582 PolarHBondContact OD1-NH2 3.2Å; D578-R582 IonicContact OD2-CZ 2.73Å; D578-R582 IonicContact OD2-NE 3.58Å; D578-R582 PolarHBondContact OD2-NE 3.33Å; D578-R582 IonicContact OD2-NH1 3.61Å; D578-R582 IonicContact OD2-NH2 3.01Å; D578-R582 PolarHBondContact OD2-NH2 3.16Å; D578-R582 VanDerWaalsContact OD2-NH2 3.11Å |
| 579 | L | 80.4 | Confident | 80.4 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.8 | -77.1 | 168.2 | 0 | 0 | 0 | 112.6 | V575 C576 R582 G583 Y584 H591 C595 | V575-L579 HydrophobicContact CG1-CD1 4.09Å; V575-L579 WeakPolarHBondContact O-CG 3.23Å; V575-L579 PolarHBondContact O-N 3Å; C576-L579 PolarHBondContact O-N 3.36Å; L579-R582 PolarHBondContact O-N 2.65Å; L579-G583 PolarHBondContact O-N 3.24Å; L579-Y584 HydrophobicContact CD2-CD1 4.38Å; L579-Y584 HydrophobicContact CD2-CD2 3.55Å; L579-Y584 HydrophobicContact CD2-CE2 4.29Å; L579-Y584 HydrophobicContact CD2-CG 3.58Å; L579-Y584 PolarHBondContact O-N 3.29Å; L579-H591 HydrophobicContact CD1-CB 4.18Å; L579-H591 HydrophobicContact CD2-CB 3.98Å; L579-C595 WeakPolarHBondContact CD1-SG 3.32Å |
| 580 | V | 84.2 | Confident | 79.7 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 37% | 0.37 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | C576 N577 R582 G583 S598 | C576-V580 VanDerWaalsContact O-CG2 3.26Å; C576-V580 WeakPolarHBondContact O-CG2 3.4Å; C576-V580 PolarHBondContact O-N 2.99Å; N577-V580 PolarHBondContact O-N 2.99Å; V580-R582 VanDerWaalsContact C-N 3.25Å; V580-R582 PolarHBondContact O-N 3Å; V580-G583 PolarHBondContact O-N 3.39Å; V580-S598 VanDerWaalsContact CG2-O 3.28Å; V580-S598 WeakPolarHBondContact CG2-O 3.03Å |
| 581 | Q | 80.5 | Confident | 79.6 | Confident | 156 Ų | 156 | 70 Ų | 70 | 73% | 0.729 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.8 | -34.1 | 179.3 | -77.3 | -171 | -4.7 | 0 | 0 | 112.8 | N577 D578 G583 | N577-Q581 WeakPolarHBondContact O-CB 3.43Å; N577-Q581 WeakPolarHBondContact O-CG 3.43Å; N577-Q581 PolarHBondContact O-N 3.19Å; D578-Q581 PolarHBondContact O-N 3.37Å; Q581-G583 VanDerWaalsContact C-N 3.32Å |
| 582 | R | 79.9 | Confident | 79.6 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 30% | 0.302 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 6 | 177.6 | -65.3 | 175.5 | -167.2 | -147.6 | 10.4 | 113.8 | D578 L579 V580 Y584 | D578-R582 WeakPolarHBondContact O-CB 3.38Å; D578-R582 VanDerWaalsContact O-CG 3.23Å; D578-R582 WeakPolarHBondContact O-CG 3.47Å; D578-R582 PolarHBondContact O-N 2.93Å; D578-R582 IonicContact OD1-CZ 3.69Å; D578-R582 VanDerWaalsContact OD1-CZ 3.26Å; D578-R582 IonicContact OD1-NE 3.11Å; D578-R582 PolarHBondContact OD1-NE 2.74Å; D578-R582 IonicContact OD1-NH2 2.69Å; D578-R582 PolarHBondContact OD1-NH2 3.2Å; D578-R582 IonicContact OD2-CZ 2.73Å; D578-R582 IonicContact OD2-NE 3.58Å; D578-R582 PolarHBondContact OD2-NE 3.33Å; D578-R582 IonicContact OD2-NH1 3.61Å; D578-R582 IonicContact OD2-NH2 3.01Å; D578-R582 PolarHBondContact OD2-NH2 3.16Å; D578-R582 VanDerWaalsContact OD2-NH2 3.11Å; L579-R582 PolarHBondContact O-N 2.65Å; V580-R582 VanDerWaalsContact C-N 3.25Å; V580-R582 PolarHBondContact O-N 3Å; R582-Y584 VanDerWaalsContact C-N 3.31Å; R582-Y584 HydrophobicContact CB-CD2 3.51Å; R582-Y584 HydrophobicContact CB-CE2 3.49Å; R582-Y584 VanDerWaalsContact CB-CE2 3.49Å; R582-Y584 HydrophobicContact CG-CE2 4.33Å; R582-Y584 PolarHBondContact O-N 2.98Å |
| 583 | G | 78.2 | Confident | 79.2 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 12.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L579 V580 Q581 C585 N586 L587 | L579-G583 PolarHBondContact O-N 3.24Å; V580-G583 PolarHBondContact O-N 3.39Å; Q581-G583 VanDerWaalsContact C-N 3.32Å; G583-C585 PolarHBondContact O-N 2.92Å; G583-C585 VanDerWaalsContact O-N 3.16Å; G583-N586 PolarHBondContact O-N 2.98Å; G583-L587 WeakPolarHBondContact O-CG 3.01Å |
| 584 | Y | 81.4 | Confident | 79.2 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 10% | 0.102 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -19.6 | -175.6 | -78.6 | -81.7 | 0 | 0 | 0 | 114.4 | R473 L579 R582 N586 L587 S588 H591 T592 | R473-Y584 WeakPolarHBondContact CD-OH 3.01Å; R473-Y584 PolarHBondContact NE-OH 2.04Å; R473-Y584 PolarHBondContact NH1-OH 2.84Å; L579-Y584 HydrophobicContact CD2-CD1 4.38Å; L579-Y584 HydrophobicContact CD2-CD2 3.55Å; L579-Y584 HydrophobicContact CD2-CE2 4.29Å; L579-Y584 HydrophobicContact CD2-CG 3.58Å; L579-Y584 PolarHBondContact O-N 3.29Å; R582-Y584 VanDerWaalsContact C-N 3.31Å; R582-Y584 HydrophobicContact CB-CD2 3.51Å; R582-Y584 HydrophobicContact CB-CE2 3.49Å; R582-Y584 VanDerWaalsContact CB-CE2 3.49Å; R582-Y584 HydrophobicContact CG-CE2 4.33Å; R582-Y584 PolarHBondContact O-N 2.98Å; Y584-N586 PolarHBondContact O-N 3.11Å; Y584-L587 PolarHBondContact O-N 3.13Å; Y584-S588 PolarHBondContact O-N 2.91Å; Y584-H591 AromaticContact CD1-ND1 3.92Å; Y584-T592 PolarHBondContact O-OG1 3.02Å |
| 585 | C | 83.2 | Confident | 79.5 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.5 | -29.4 | 175.4 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | G583 T592 C599 | G583-C585 PolarHBondContact O-N 2.92Å; G583-C585 VanDerWaalsContact O-N 3.16Å; C585-T592 VanDerWaalsContact C-OG1 3.3Å; C585-T592 WeakPolarHBondContact CA-OG1 3.26Å; C585-T592 PolarHBondContact O-OG1 2.89Å; C585-C599 WeakPolarHBondContact CA-SG 3.36Å; C585-C599 HydrophobicContact CB-CB 3.54Å; C585-C599 WeakPolarHBondContact CB-SG 3.44Å; C585-C599 WeakPolarHBondContact SG-CA 3.49Å; C585-C599 WeakPolarHBondContact SG-CB 3.29Å; C585-C599 CovalentContact SG-SG 2.04Å; C585-C599 PolarHBondContact SG-SG 3.03Å |
| 586 | N | 76.2 | Confident | 79.7 | Confident | 152 Ų | 152 | 64.8 Ų | 64.8 | 81% | 0.813 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -103.7 | -19 | 178 | -65.4 | -24.6 | 0 | 0 | 0 | 113.2 | G583 Y584 | G583-N586 PolarHBondContact O-N 2.98Å; Y584-N586 PolarHBondContact O-N 3.11Å |
| 587 | L | 65.1 | Low | 79.5 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -94.2 | -26.7 | -172.9 | -64.2 | 170.7 | 0 | 0 | 0 | 113.2 | K356 G583 Y584 | K356-L587 WeakPolarHBondContact CD-O 3.43Å; K356-L587 PolarHBondContact NZ-O 3.11Å; G583-L587 WeakPolarHBondContact O-CG 3.01Å; Y584-L587 PolarHBondContact O-N 3.13Å |
| 588 | S | 72.9 | Confident | 79.6 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | trans | -141.4 | 102.3 | -170 | 162.9 | 0 | 0 | 0 | 0 | 113 | Y584 P590 H591 T592 | Y584-S588 PolarHBondContact O-N 2.91Å; S588-P590 VanDerWaalsContact C-CD 3.48Å; S588-P590 VanDerWaalsContact C-N 3.31Å; S588-P590 VanDerWaalsContact O-N 3.15Å; S588-P590 WeakPolarHBondContact OG-CD 3.02Å; S588-H591 WeakPolarHBondContact CB-ND1 3.46Å; S588-H591 PolarHBondContact O-N 2.91Å; S588-H591 VanDerWaalsContact O-N 3.11Å; S588-H591 PolarHBondContact OG-N 2.85Å; S588-H591 PolarHBondContact OG-ND1 3.48Å; S588-T592 WeakPolarHBondContact O-CB 3.35Å; S588-T592 PolarHBondContact O-N 2.79Å; S588-T592 PolarHBondContact O-OG1 2.68Å | ||
| 589 | K | 73 | Confident | 80 | Confident | 165 Ų | 165 | 65.7 Ų | 65.7 | 72% | 0.717 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -48.5 | -41.3 | 175 | -168.3 | 179.3 | -177.5 | -176.1 | 0 | 114.1 | T592 Q593 | K589-T592 WeakPolarHBondContact O-CB 3.44Å; K589-T592 PolarHBondContact O-N 3.39Å; K589-Q593 VanDerWaalsContact O-CG 3.26Å; K589-Q593 WeakPolarHBondContact O-CG 3.43Å; K589-Q593 PolarHBondContact O-N 2.73Å |
| 590 | P | 69.8 | Low | 80.1 | Confident | 83 Ų | 83 | 68 Ų | 68 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 175.6 | -25.9 | 35 | 0 | 0 | 0 | 114.3 | S588 T592 Q593 R594 | S588-P590 VanDerWaalsContact C-CD 3.48Å; S588-P590 VanDerWaalsContact C-N 3.31Å; S588-P590 VanDerWaalsContact O-N 3.15Å; S588-P590 WeakPolarHBondContact OG-CD 3.02Å; P590-T592 VanDerWaalsContact C-N 3.33Å; P590-T592 PolarHBondContact O-N 3.29Å; P590-Q593 PolarHBondContact O-N 2.93Å; P590-R594 WeakPolarHBondContact O-CG 3.45Å; P590-R594 PolarHBondContact O-N 2.76Å; P590-R594 VanDerWaalsContact O-N 3.15Å |
| 591 | H | 76.7 | Confident | 79.7 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 176 | -68.3 | 112.1 | 0 | 0 | 0 | 112.1 | L579 Y584 S588 Q593 R594 C595 | L579-H591 HydrophobicContact CD1-CB 4.18Å; L579-H591 HydrophobicContact CD2-CB 3.98Å; Y584-H591 AromaticContact CD1-ND1 3.92Å; S588-H591 WeakPolarHBondContact CB-ND1 3.46Å; S588-H591 PolarHBondContact O-N 2.91Å; S588-H591 VanDerWaalsContact O-N 3.11Å; S588-H591 PolarHBondContact OG-N 2.85Å; S588-H591 PolarHBondContact OG-ND1 3.48Å; H591-Q593 VanDerWaalsContact C-N 3.25Å; H591-Q593 PolarHBondContact O-N 3.47Å; H591-R594 PolarHBondContact O-N 2.93Å; H591-C595 PolarHBondContact O-N 3.3Å |
| 592 | T | 81.9 | Confident | 79.2 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.1 | -38.9 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | Y584 C585 S588 K589 P590 C595 K596 I601 | Y584-T592 PolarHBondContact O-OG1 3.02Å; C585-T592 VanDerWaalsContact C-OG1 3.3Å; C585-T592 WeakPolarHBondContact CA-OG1 3.26Å; C585-T592 PolarHBondContact O-OG1 2.89Å; S588-T592 WeakPolarHBondContact O-CB 3.35Å; S588-T592 PolarHBondContact O-N 2.79Å; S588-T592 PolarHBondContact O-OG1 2.68Å; K589-T592 WeakPolarHBondContact O-CB 3.44Å; K589-T592 PolarHBondContact O-N 3.39Å; P590-T592 VanDerWaalsContact C-N 3.33Å; P590-T592 PolarHBondContact O-N 3.29Å; T592-C595 CarbonylContact O-C 3.12Å; T592-K596 WeakPolarHBondContact O-CA 3.41Å; T592-K596 PolarHBondContact O-N 2.92Å; T592-I601 HydrophobicContact CG2-CD1 3Å; T592-I601 HydrophobicContact CG2-CG1 4.17Å |
| 593 | Q | 76.6 | Confident | 77.9 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.318 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -76.1 | -20.5 | 176.5 | -68.3 | -62.9 | -36.6 | 0 | 0 | 113.7 | K589 P590 H591 K596 | K589-Q593 VanDerWaalsContact O-CG 3.26Å; K589-Q593 WeakPolarHBondContact O-CG 3.43Å; K589-Q593 PolarHBondContact O-N 2.73Å; P590-Q593 PolarHBondContact O-N 2.93Å; H591-Q593 VanDerWaalsContact C-N 3.25Å; H591-Q593 PolarHBondContact O-N 3.47Å; Q593-K596 WeakPolarHBondContact O-CD 3.39Å; Q593-K596 WeakPolarHBondContact O-CE 3.4Å; Q593-K596 VanDerWaalsContact O-CG 3.31Å; Q593-K596 WeakPolarHBondContact O-CG 3.14Å |
| 594 | R | 83.9 | Confident | 76.4 | Confident | 117 Ų | 117 | 73.2 Ų | 73.2 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -88.3 | -22.2 | 175.6 | -67.4 | 176.7 | 64.8 | 143.8 | 5.8 | 113.1 | D569 I570 D571 P590 H591 | D569-R594 CarbonylContact C-O 3.56Å; I570-R594 WeakPolarHBondContact CA-O 3.06Å; I570-R594 HydrophobicContact CB-CB 4.39Å; I570-R594 WeakPolarHBondContact CB-O 3.43Å; I570-R594 PolarHBondContact N-O 2.91Å; D571-R594 PolarHBondContact N-O 3.27Å; D571-R594 IonicContact OD1-CZ 3.13Å; D571-R594 IonicContact OD1-NE 2.66Å; D571-R594 IonicContact OD1-NH2 3.35Å; D571-R594 PolarHBondContact OD1-NH2 2.82Å; D571-R594 WeakPolarHBondContact OD2-CB 3.26Å; D571-R594 IonicContact OD2-CZ 3.74Å; D571-R594 IonicContact OD2-NE 3.73Å; D571-R594 PolarHBondContact OD2-NE 3.1Å; D571-R594 IonicContact OD2-NH2 2.77Å; D571-R594 PolarHBondContact OD2-NH2 3.48Å; P590-R594 WeakPolarHBondContact O-CG 3.45Å; P590-R594 PolarHBondContact O-N 2.76Å; P590-R594 VanDerWaalsContact O-N 3.15Å; H591-R594 PolarHBondContact O-N 2.93Å |
| 595 | C | 88.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -122.8 | 45.4 | 179.2 | -66.7 | 0 | 0 | 0 | 0 | 110.9 | D569 C576 L579 H591 T592 K597 S598 C599 | D569-C595 WeakPolarHBondContact OD1-CA 3.47Å; C576-C595 WeakPolarHBondContact CA-SG 3.49Å; C576-C595 HydrophobicContact CB-CB 3.65Å; C576-C595 WeakPolarHBondContact CB-SG 3.44Å; C576-C595 VanDerWaalsContact SG-CA 3.54Å; C576-C595 WeakPolarHBondContact SG-CB 3.48Å; C576-C595 CovalentContact SG-SG 2.04Å; C576-C595 PolarHBondContact SG-SG 3.04Å; L579-C595 WeakPolarHBondContact CD1-SG 3.32Å; H591-C595 PolarHBondContact O-N 3.3Å; T592-C595 CarbonylContact O-C 3.12Å; C595-K597 VanDerWaalsContact C-N 3.26Å; C595-K597 PolarHBondContact O-N 3.42Å; C595-S598 PolarHBondContact O-N 3.16Å; C595-C599 WeakPolarHBondContact O-CB 3.02Å; C595-C599 PolarHBondContact O-N 3.04Å; C595-C599 PolarHBondContact O-SG 3.46Å; C595-C599 VanDerWaalsContact O-SG 3.36Å |
| 596 | K | 85.2 | Confident | 71.8 | Confident | 53 Ų | 53 | 86.9 Ų | 86.9 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -38.2 | -172.2 | -72.3 | 166 | 174.8 | 172.1 | 0 | 113.1 | D569 T592 Q593 G600 I601 | D569-K596 PolarHBondContact OD1-N 3.19Å; T592-K596 WeakPolarHBondContact O-CA 3.41Å; T592-K596 PolarHBondContact O-N 2.92Å; Q593-K596 WeakPolarHBondContact O-CD 3.39Å; Q593-K596 WeakPolarHBondContact O-CE 3.4Å; Q593-K596 VanDerWaalsContact O-CG 3.31Å; Q593-K596 WeakPolarHBondContact O-CG 3.14Å; K596-G600 PolarHBondContact O-N 2.96Å; K596-I601 PolarHBondContact O-N 3.15Å |
| 597 | K | 85.4 | Confident | 69.6 | Low | 97 Ų | 97 | 86 Ų | 86 | 42% | 0.422 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -50.4 | 180 | -176.1 | 177.4 | -175.7 | 168.8 | 0 | 110.2 | D569 C595 C599 G600 | D569-K597 WeakPolarHBondContact OD1-CA 3.29Å; D569-K597 WeakPolarHBondContact OD1-CB 3.45Å; D569-K597 PolarHBondContact OD1-N 2.04Å; C595-K597 VanDerWaalsContact C-N 3.26Å; C595-K597 PolarHBondContact O-N 3.42Å; K597-C599 VanDerWaalsContact C-N 3.29Å; K597-C599 PolarHBondContact O-N 2.72Å; K597-G600 PolarHBondContact O-N 3.01Å |
| 598 | S | 89.2 | Confident | 67.8 | Low | 32 Ų | 32 | 89.3 Ų | 89.3 | 22% | 0.224 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35 | 177.1 | -75.4 | 0 | 0 | 0 | 0 | 113.2 | D569 C576 V580 C595 G600 | D569-S598 PolarHBondContact OD1-N 3.17Å; D569-S598 VanDerWaalsContact OD2-CB 3.31Å; D569-S598 WeakPolarHBondContact OD2-CB 3.13Å; D569-S598 PolarHBondContact OD2-N 3.43Å; D569-S598 PolarHBondContact OD2-OG 3.18Å; C576-S598 VanDerWaalsContact CB-OG 3.3Å; C576-S598 WeakPolarHBondContact CB-OG 3.47Å; V580-S598 VanDerWaalsContact CG2-O 3.28Å; V580-S598 WeakPolarHBondContact CG2-O 3.03Å; C595-S598 PolarHBondContact O-N 3.16Å; S598-G600 VanDerWaalsContact C-N 3.25Å; S598-G600 PolarHBondContact O-N 3.3Å |
| 599 | C | 88.2 | Confident | 65.6 | Low | 25 Ų | 25 | 97.4 Ų | 97.4 | 17% | 0.169 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 3.3 | 176.1 | -69.7 | 0 | 0 | 0 | 0 | 114.1 | C585 C595 K597 I601 | C585-C599 WeakPolarHBondContact CA-SG 3.36Å; C585-C599 HydrophobicContact CB-CB 3.54Å; C585-C599 WeakPolarHBondContact CB-SG 3.44Å; C585-C599 WeakPolarHBondContact SG-CA 3.49Å; C585-C599 WeakPolarHBondContact SG-CB 3.29Å; C585-C599 CovalentContact SG-SG 2.04Å; C585-C599 PolarHBondContact SG-SG 3.03Å; C595-C599 WeakPolarHBondContact O-CB 3.02Å; C595-C599 PolarHBondContact O-N 3.04Å; C595-C599 PolarHBondContact O-SG 3.46Å; C595-C599 VanDerWaalsContact O-SG 3.36Å; K597-C599 VanDerWaalsContact C-N 3.29Å; K597-C599 PolarHBondContact O-N 2.72Å; C599-I601 VanDerWaalsContact C-N 3.27Å; C599-I601 HydrophobicContact CB-CG1 4.47Å; C599-I601 PolarHBondContact O-N 3.46Å |
| 600 | G | 82.1 | Confident | 63.4 | Low | 61 Ų | 61 | 95.2 Ų | 95.2 | 63% | 0.629 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 19 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K596 K597 S598 C602 | K596-G600 PolarHBondContact O-N 2.96Å; K597-G600 PolarHBondContact O-N 3.01Å; S598-G600 VanDerWaalsContact C-N 3.25Å; S598-G600 PolarHBondContact O-N 3.3Å; G600-C602 VanDerWaalsContact C-N 3.27Å |
| 601 | I | 76.3 | Confident | 61.6 | Low | 92 Ų | 92 | 98.7 Ų | 98.7 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | trans | -76.2 | -21.5 | 179 | -69 | -165.1 | 0 | 0 | 0 | 111.9 | T592 K596 C599 | T592-I601 HydrophobicContact CG2-CD1 3Å; T592-I601 HydrophobicContact CG2-CG1 4.17Å; K596-I601 PolarHBondContact O-N 3.15Å; C599-I601 VanDerWaalsContact C-N 3.27Å; C599-I601 HydrophobicContact CB-CG1 4.47Å; C599-I601 PolarHBondContact O-N 3.46Å | ||
| 602 | C | 68.7 | Low | 59.4 | Low | 36 Ų | 36 | 100.8 Ų | 100.8 | 24% | 0.243 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -107.1 | 133.1 | -180 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | C567 G600 | C567-C602 HydrophobicContact CB-CB 3.23Å; C567-C602 WeakPolarHBondContact CB-SG 3.45Å; C567-C602 WeakPolarHBondContact SG-CB 3.3Å; C567-C602 CovalentContact SG-SG 1.97Å; C567-C602 PolarHBondContact SG-SG 3.48Å; G600-C602 VanDerWaalsContact C-N 3.27Å |
| 603 | K | 52.9 | Low | 57 | Low | 200 Ų | 200 | 105.1 Ų | 105.1 | 87% | 0.87 | 57% | 0.567 | S | S | * | * | trans | -85 | 118.8 | 163.8 | -72.2 | -177.4 | 176.5 | -179.8 | 0 | 108.3 | T605 | K603-T605 PolarHBondContact O-N 2.86Š| ||
| 604 | D | 46.5 | Very low | 54.8 | Low | 108 Ų | 108 | 110.3 Ų | 110.3 | 58% | 0.578 | 59% | 0.593 | S | S | * | * | trans | -62.7 | 115 | 170.6 | -83.6 | -34 | 0 | 0 | 0 | 109.7 | K606 | D604-K606 PolarHBondContact O-N 2.03Š| ||
| 605 | T | 37.4 | Very low | 52.3 | Low | 148 Ų | 148 | 109.1 Ų | 109.1 | 91% | 0.908 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -76.4 | 34.1 | 177.6 | -2.4 | 0 | 0 | 0 | 0 | 113.5 | K603 | K603-T605 PolarHBondContact O-N 2.86Š|
| 606 | K | 31.4 | Very low | 49.5 | Very low | 188 Ų | 188 | 116.1 Ų | 116.1 | 82% | 0.817 | 64% | 0.64 | S | S | * | * | trans | -145.5 | 89.4 | 178 | -75.8 | -176.9 | 179.6 | 171.9 | 0 | 110.5 | D604 | D604-K606 PolarHBondContact O-N 2.03Š| ||
| 607 | V | 28.6 | Very low | 47.1 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | trans | 179.7 | 109 | 146.8 | 158.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 608 | L | 28.6 | Very low | 44.4 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 88% | 0.88 | 69% | 0.691 | S | S | * | * | trans | 155.5 | 82.4 | 140.9 | -84.8 | 152.2 | 0 | 0 | 0 | 111 | ||||
| 609 | K | 26.5 | Very low | 41.6 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | trans | -70.1 | 153.2 | 148.6 | -80 | -179.9 | 172.8 | 178.8 | 0 | 108.7 | ||||
| 610 | T | 27.5 | Very low | 38.8 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | trans | 69.2 | 101.6 | 160.1 | 55.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 611 | N | 31.2 | Very low | 36.3 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | -170.1 | 120 | 86 | -93 | -20.5 | 0 | 0 | 0 | 111.9 | |||||
| 612 | S | 29.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 127.1 | 164.2 | 40.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 613 | S | 31.9 | Very low | 32.3 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 177.3 | 118.7 | 130.1 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 614 | M | 30.1 | Very low | 31.3 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 65.7 | 140.3 | 144.2 | -57.4 | -173.7 | 75 | 0 | 0 | 118.8 | ||||
| 615 | S | 32 | Very low | 30.6 | Very low | 92 Ų | 92 | 144.5 Ų | 144.5 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | cis | -174.2 | 137.2 | -8.6 | 47.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 616 | N | 30.4 | Very low | 30.4 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 22.2 | 122.9 | 149 | -64.4 | -18.8 | 0 | 0 | 0 | 120.6 | ||||
| 617 | N | 34.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | -171 | 105.9 | 111 | -99.8 | -17.5 | 0 | 0 | 0 | 114.5 | |||||
| 618 | R | 29.4 | Very low | 30.6 | Very low | 227 Ų | 227 | 147 Ų | 147 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | 21.2 | 134.4 | 128.1 | -118.7 | 179.8 | -157.4 | -173.6 | 4.9 | 122.1 | |||||
| 619 | T | 29.1 | Very low | 30.7 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | 104.2 | 105.3 | 132.8 | 1.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 620 | S | 29.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | 54.8 | 121.9 | 131.7 | 65.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 621 | V | 29.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -143.7 | 142.3 | 131.5 | -179 | 0 | 0 | 0 | 0 | 110 | ||||
| 622 | I | 29.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 146 Ų | 146 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -80.5 | 146.5 | -170.3 | -67 | 151.1 | 0 | 0 | 0 | 111.5 | ||||
| 623 | V | 30.9 | Very low | 31.8 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -124.2 | 122.3 | 157.7 | -179.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 624 | S | 33.8 | Very low | 31.9 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -94.6 | 148.9 | -173.4 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 625 | N | 31.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -64.3 | 149.6 | 172.6 | -84.9 | -25.4 | 0 | 0 | 0 | 113.3 | ||||
| 626 | R | 32.5 | Very low | 32.1 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -159.7 | 116.1 | 138.7 | -111.3 | 176.2 | -169 | -170.9 | 2.9 | 112.3 | ||||
| 627 | T | 29.7 | Very low | 32.2 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -69.7 | 140.2 | 159 | 36.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 628 | T | 35.4 | Very low | 31.8 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -167.8 | 147.7 | 138.8 | 0.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 629 | E | 30.6 | Very low | 32.1 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -69.8 | 152.9 | -169.4 | -57.3 | 159.5 | 123 | 0 | 0 | 115.1 | ||||
| 630 | I | 37.4 | Very low | 32.2 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | -141.6 | 124.2 | 139.1 | -60.6 | -175.5 | 0 | 0 | 0 | 107.9 | ||||
| 631 | G | 31.3 | Very low | 32.4 | Very low | 64 Ų | 64 | 142 Ų | 142 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | trans | -110.1 | 172.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 632 | K | 33.2 | Very low | 32.5 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 67.3 | 128 | 151.5 | -77.2 | -179.3 | 174.7 | 176 | 0 | 121.1 | ||||
| 633 | I | 35.4 | Very low | 32.9 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | -170.6 | 103.5 | 122.4 | -83.3 | 147.2 | 0 | 0 | 0 | 105.9 | |||||
| 634 | I | 33.2 | Very low | 32.7 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | 65.6 | 122.6 | 91.6 | -55.4 | 161.1 | 0 | 0 | 0 | 111.9 | |||||
| 635 | S | 36.1 | Very low | 32.6 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | -164.4 | 123.9 | 52.2 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 636 | T | 30.2 | Very low | 32.5 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | 47.9 | 115.2 | 95.2 | 51 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 637 | T | 33.1 | Very low | 32.2 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | -156.7 | 124.4 | 112.6 | -35 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 638 | T | 27.5 | Very low | 32.3 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -117.3 | 141.2 | 174.8 | 36.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 639 | V | 34.3 | Very low | 31.9 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 92% | 0.915 | 80% | 0.795 | S | S | * | * | trans | -138.5 | 137 | 148.3 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 640 | A | 31 | Very low | 32 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -93 | 170.9 | -155.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 641 | P | 35.3 | Very low | 31.6 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -104.1 | 154.4 | 174.1 | 37.9 | -28.3 | 0 | 0 | 0 | 112.6 | ||||
| 642 | T | 32.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -165.2 | 122.2 | 153.9 | 39.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 643 | N | 36.4 | Very low | 31.6 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | 175.3 | 122.8 | 110.6 | -88.3 | -21.3 | 0 | 0 | 0 | 112.3 | |||||
| 644 | S | 27.6 | Very low | 31.3 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 143 | 168 | 47 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 645 | V | 31.4 | Very low | 31.3 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -142.3 | 135.8 | 142.2 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 646 | T | 29 | Very low | 30.9 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -82.9 | 158.8 | -168 | 22 | 0 | 0 | 0 | 0 | 116 | ||||
| 647 | F | 25.5 | Very low | 31 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -42.8 | 147.4 | 168.2 | -102.7 | -111.5 | 0 | 0 | 0 | 117 | T649 | F647-T649 HydrophobicContact CD1-CG2 3.94Å; F647-T649 HydrophobicContact CE1-CG2 3.87Å | ||
| 648 | S | 31.8 | Very low | 30.7 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -149.8 | 131.9 | 127.6 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 649 | T | 26.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | trans | -96.2 | 143.7 | 175.9 | 39.6 | 0 | 0 | 0 | 0 | 110.5 | F647 | F647-T649 HydrophobicContact CD1-CG2 3.94Å; F647-T649 HydrophobicContact CE1-CG2 3.87Å | ||
| 650 | T | 32.7 | Very low | 30.4 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -142.2 | 137 | 145.1 | 39.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 651 | K | 28.9 | Very low | 30.3 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -87.9 | 179.1 | -174 | -76.9 | 177.4 | 164.2 | 176.6 | 0 | 112.3 | ||||
| 652 | D | 34.3 | Very low | 30.1 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 97.7 | 142.6 | 151.9 | -56 | -33.3 | 0 | 0 | 0 | 115.1 | ||||
| 653 | S | 31.8 | Very low | 29.9 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -167.1 | 132.2 | -10.2 | -106 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 654 | L | 28.5 | Very low | 29.5 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | 72.5 | 136.6 | 108.2 | -94.6 | 147.6 | 0 | 0 | 0 | 118.6 | |||||
| 655 | N | 32.8 | Very low | 29.8 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 80.6 | 126.3 | 164.1 | -54 | -22.1 | 0 | 0 | 0 | 116.4 | ||||
| 656 | G | 27.5 | Very low | 29.7 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 110.6 | 120.9 | 25.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 657 | I | 32.3 | Very low | 29.8 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 92% | 0.918 | 77% | 0.765 | S | S | * | * | trans | 173.2 | 138 | 143.8 | -85.7 | 153.6 | 0 | 0 | 0 | 111.1 | ||||
| 658 | E | 26.5 | Very low | 30.1 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -82.3 | 170.5 | -170.6 | -73.6 | 176 | 118.7 | 0 | 0 | 117.1 | ||||
| 659 | M | 27 | Very low | 30 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 62.9 | 141.9 | 138.3 | -81.6 | -175.8 | -167.4 | 0 | 0 | 118.6 | ||||
| 660 | T | 30 | Very low | 30.2 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -172.2 | 170.1 | 34.2 | 1.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 661 | S | 28 | Very low | 30.1 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -48.4 | 167.3 | 175 | 52.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 662 | T | 30.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | 170 | 129.5 | 89.9 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 663 | I | 29.3 | Very low | 30.1 | Very low | 146 Ų | 146 | 142 Ų | 142 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 68 | 114.8 | 140 | -59.3 | 171.1 | 0 | 0 | 0 | 124.2 | ||||
| 664 | S | 28.7 | Very low | 30.4 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | 33.1 | 138.3 | 124.2 | -42.6 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 665 | R | 32.6 | Very low | 30.6 | Very low | 232 Ų | 232 | 141.1 Ų | 141.1 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | 172.8 | 116 | 119.1 | -94.4 | 175.3 | 172.5 | 177.7 | -1.6 | 110.2 | |||||
| 666 | T | 30.7 | Very low | 30.6 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | 49.1 | 142 | 96.1 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 667 | A | 30.4 | Very low | 30.9 | Very low | 87 Ų | 87 | 144.6 Ų | 144.6 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | cis | -169.1 | 157.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 668 | E | 30.9 | Very low | 30.8 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | 163.6 | 121 | 99.4 | -85.2 | 178.8 | 164.6 | 0 | 0 | 106.4 | |||||
| 669 | I | 29.5 | Very low | 31 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | 56.1 | 110.4 | 92.6 | -55.5 | 172.5 | 0 | 0 | 0 | 114.7 | |||||
| 670 | S | 32.6 | Very low | 31 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | -172.9 | 139.2 | 117.5 | -168.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 671 | S | 28.7 | Very low | 31 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -77.1 | 157 | -176.2 | 53.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 672 | R | 32.5 | Very low | 31 | Very low | 253 Ų | 253 | 150.4 Ų | 150.4 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | -170 | 150.5 | 122.5 | -102.8 | 167.2 | -172.5 | -164.4 | 2.9 | 113.4 | |||||
| 673 | K | 31.6 | Very low | 30.9 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -99.8 | 177.2 | -158.8 | -106.7 | -167.6 | 177.8 | 175.9 | 0 | 113.8 | ||||
| 674 | P | 38.6 | Very low | 30.8 | Very low | 117 Ų | 117 | 159.3 Ų | 159.3 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -114.7 | -178.6 | -150.1 | 44.5 | -38 | 0 | 0 | 0 | 115.9 | ||||
| 675 | S | 32.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 160.4 Ų | 160.4 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -163.3 | 122.2 | 151.9 | 113.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 676 | S | 32.7 | Very low | 30.5 | Very low | 96 Ų | 96 | 159 Ų | 159 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | 82 | 136.2 | 105.5 | 87.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 677 | K | 33.5 | Very low | 30.3 | Very low | 193 Ų | 193 | 160.2 Ų | 160.2 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | cis | -157 | 154.3 | 31.4 | -75.4 | 176 | 174.2 | 171 | 0 | 113.6 | ||||
| 678 | H | 29.6 | Very low | 30.1 | Very low | 169 Ų | 169 | 161.8 Ų | 161.8 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | -13.4 | 147.1 | 162.6 | -67.6 | -87.1 | 0 | 0 | 0 | 124 | ||||
| 679 | K | 31.9 | Very low | 30.1 | Very low | 210 Ų | 210 | 158.6 Ų | 158.6 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | -162.3 | 143.2 | 115.1 | -106.3 | 173.1 | -176.9 | -179.8 | 0 | 113.7 | |||||
| 680 | F | 27.3 | Very low | 30.2 | Very low | 185 Ų | 185 | 159.7 Ų | 159.7 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -60.6 | 151.2 | -172.6 | -82.8 | -115.1 | 0 | 0 | 0 | 116 | ||||
| 681 | V | 29 | Very low | 29.9 | Very low | 138 Ų | 138 | 165 Ų | 165 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | -163 | 130.2 | 126.8 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 682 | T | 28.5 | Very low | 30.1 | Very low | 130 Ų | 130 | 164.2 Ų | 164.2 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -9.5 | 121.1 | 174.4 | 50.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 683 | K | 27.4 | Very low | 30.1 | Very low | 199 Ų | 199 | 160.9 Ų | 160.9 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -84.9 | 122.9 | 161.8 | -112.7 | 178.5 | 177.9 | 179.2 | 0 | 109.9 | T685 | K683-T685 PolarHBondContact O-N 3.44Š| ||
| 684 | R | 27.1 | Very low | 30.3 | Very low | 243 Ų | 243 | 156.6 Ų | 156.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -72.6 | 111.4 | 158 | -89.5 | -178.7 | 176 | 174 | -2.7 | 108.1 | Y686 | R684-Y686 PolarHBondContact O-N 3.28Š| ||
| 685 | T | 26.9 | Very low | 30.3 | Very low | 124 Ų | 124 | 160.7 Ų | 160.7 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -72.8 | 110.5 | 167.5 | 33.3 | 0 | 0 | 0 | 0 | 109.3 | K683 | K683-T685 PolarHBondContact O-N 3.44Š| ||
| 686 | Y | 27.6 | Very low | 31.3 | Very low | 204 Ų | 204 | 162.3 Ų | 162.3 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -81.5 | 117.1 | 153.4 | -103.7 | -99.3 | 0 | 0 | 0 | 106.8 | R684 P688 | R684-Y686 PolarHBondContact O-N 3.28Å; Y686-P688 WeakPolarHBondContact O-CD 3.39Å | ||
| 687 | L | 26.5 | Very low | 32.6 | Very low | 156 Ų | 156 | 165 Ų | 165 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -60.6 | 125.4 | 173 | -86 | 118.5 | 0 | 0 | 0 | 109.3 | S689 | L687-S689 PolarHBondContact O-N 3.11Š| ||
| 688 | P | 27.6 | Very low | 34.7 | Very low | 120 Ų | 120 | 157.9 Ų | 157.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -74.7 | 109.8 | 157.4 | 10.6 | 5.1 | 0 | 0 | 0 | 106.8 | Y686 E690 | Y686-P688 WeakPolarHBondContact O-CD 3.39Å; P688-E690 PolarHBondContact O-N 2.79Å; P688-E690 VanDerWaalsContact O-N 3.12Å | ||
| 689 | S | 30.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 153.8 Ų | 153.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -67.4 | 111.7 | 166.9 | 55.4 | 0 | 0 | 0 | 0 | 108.6 | L687 | L687-S689 PolarHBondContact O-N 3.11Š| ||
| 690 | E | 31.2 | Very low | 40 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | 59.9 | 79.7 | 151.4 | -67 | 175.5 | 168.4 | 0 | 0 | 117.1 | P688 S692 | P688-E690 PolarHBondContact O-N 2.79Å; P688-E690 VanDerWaalsContact O-N 3.12Å; E690-S692 VanDerWaalsContact C-N 3.29Å; E690-S692 PolarHBondContact O-N 3.15Å | ||
| 691 | Y | 27.3 | Very low | 42.8 | Very low | 227 Ų | 227 | 143.2 Ų | 143.2 | 89% | 0.89 | 71% | 0.705 | S | S | * | * | trans | -70.2 | 91.5 | 138 | -119.9 | -96.9 | 0 | 0 | 0 | 107.5 | E693 | Y691-E693 PolarHBondContact O-N 3.09Š| ||
| 692 | S | 31.8 | Very low | 45.6 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | trans | -73.6 | 113.7 | 154 | -178.1 | 0 | 0 | 0 | 0 | 106.7 | E690 D694 | E690-S692 VanDerWaalsContact C-N 3.29Å; E690-S692 PolarHBondContact O-N 3.15Å; S692-D694 PolarHBondContact O-N 3.1Å; S692-D694 PolarHBondContact OG-OD1 3.27Å | ||
| 693 | E | 31.9 | Very low | 48.4 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 67% | 0.669 | S | S | * | * | trans | -64.7 | 72.4 | 156.9 | -73.9 | -176 | 152.8 | 0 | 0 | 108.6 | Y691 K695 | Y691-E693 PolarHBondContact O-N 3.09Å; E693-K695 PolarHBondContact O-N 3.21Å | ||
| 694 | D | 37.2 | Very low | 51.1 | Low | 119 Ų | 119 | 137.1 Ų | 137.1 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | trans | -68.1 | 104.3 | 167.8 | -86.2 | 0.1 | 0 | 0 | 0 | 106.8 | S692 Q696 | S692-D694 PolarHBondContact O-N 3.1Å; S692-D694 PolarHBondContact OG-OD1 3.27Å; D694-Q696 PolarHBondContact O-N 2.9Å | ||
| 695 | K | 38.6 | Very low | 53.9 | Low | 203 Ų | 203 | 131 Ų | 131 | 88% | 0.883 | 65% | 0.651 | S | S | * | * | trans | -44.9 | 98.2 | 149.7 | -80.9 | 178.4 | 176.5 | 175.4 | 0 | 106.3 | E693 E697 | E693-K695 PolarHBondContact O-N 3.21Å; K695-E697 VanDerWaalsContact C-N 3.29Å; K695-E697 PolarHBondContact O-N 3.15Å | ||
| 696 | Q | 52.7 | Low | 56.8 | Low | 135 Ų | 135 | 126.2 Ų | 126.2 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | trans | -66.4 | 95.1 | -175.6 | -161.4 | 110.5 | 76 | 0 | 0 | 107.4 | D694 C698 R701 | D694-Q696 PolarHBondContact O-N 2.9Å; Q696-C698 PolarHBondContact O-N 3.44Å; Q696-R701 VanDerWaalsContact OE1-NH2 3.12Å | ||
| 697 | E | 61.2 | Low | 59.7 | Low | 154 Ų | 154 | 116.5 Ų | 116.5 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | trans | -55.1 | 133.5 | 179 | -160 | 174.6 | -162 | 0 | 0 | 108.5 | K695 I699 | K695-E697 VanDerWaalsContact C-N 3.29Å; K695-E697 PolarHBondContact O-N 3.15Å; E697-I699 VanDerWaalsContact C-N 3.3Å; E697-I699 HydrophobicContact CB-CG2 4.25Å; E697-I699 HydrophobicContact CG-CG2 4.14Å; E697-I699 PolarHBondContact O-N 3.15Å | ||
| 698 | C | 77.3 | Confident | 62.6 | Low | 43 Ų | 43 | 111.9 Ų | 111.9 | 29% | 0.291 | 56% | 0.563 | S | S | . | * | trans | -73.6 | 90.1 | -178.2 | -166.9 | 0 | 0 | 0 | 0 | 110.5 | Q696 C732 | Q696-C698 PolarHBondContact O-N 3.44Å; C698-C732 HydrophobicContact CB-CB 3.74Å; C698-C732 WeakPolarHBondContact CB-SG 3.28Å; C698-C732 WeakPolarHBondContact SG-CA 3.44Å; C698-C732 WeakPolarHBondContact SG-CB 3.46Å; C698-C732 CovalentContact SG-SG 2.01Å; C698-C732 PolarHBondContact SG-SG 3.05Å | ||
| 699 | I | 84.7 | Confident | 65.3 | Low | 83 Ų | 83 | 106.9 Ų | 106.9 | 43% | 0.426 | 53% | 0.532 | S | S | . | . | trans | -123.1 | 153.8 | 179.5 | 65 | 173.5 | 0 | 0 | 0 | 110.5 | E697 | E697-I699 VanDerWaalsContact C-N 3.3Å; E697-I699 HydrophobicContact CB-CG2 4.25Å; E697-I699 HydrophobicContact CG-CG2 4.14Å; E697-I699 PolarHBondContact O-N 3.15Å | ||
| 700 | D | 87.6 | Confident | 68 | Low | 33 Ų | 33 | 104 Ų | 104 | 18% | 0.176 | 50% | 0.504 | C | S | . | . | trans | -73 | 126.6 | 163.7 | -64.4 | -35.9 | 0 | 0 | 0 | 108.4 | L724 C725 L726 K727 T728 | D700-L724 CarbonylContact C-O 3.59Å; D700-C725 WeakPolarHBondContact OD1-CA 3.35Å; D700-L726 PolarHBondContact OD1-N 2.85Å; D700-K727 WeakPolarHBondContact OD1-CA 3.31Å; D700-K727 WeakPolarHBondContact OD1-CB 3.14Å; D700-K727 PolarHBondContact OD1-N 3.34Å; D700-T728 PolarHBondContact OD1-N 2.96Å; D700-T728 WeakPolarHBondContact OD2-CB 3.26Å; D700-T728 PolarHBondContact OD2-N 2.97Å; D700-T728 PolarHBondContact OD2-OG1 3.21Å | ||
| 701 | R | 86.8 | Confident | 70.7 | Confident | 140 Ų | 140 | 99 Ų | 99 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -86.3 | 4 | 174.6 | -60.9 | -170.9 | -177 | -163.8 | 4.8 | 112.9 | Q696 L724 | Q696-R701 VanDerWaalsContact OE1-NH2 3.12Å; R701-L724 HydrophobicContact CB-CD2 4.28Å; R701-L724 PolarHBondContact N-O 3.05Å |
| 702 | Y | 86.7 | Confident | 73.5 | Confident | 101 Ų | 101 | 94.3 Ų | 94.3 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -127.2 | 155.6 | 178.5 | -149.7 | -111.7 | 0 | 0 | 0 | 108.9 | K704 S706 W710 L724 | Y702-K704 PolarHBondContact O-N 2.89Å; Y702-S706 VanDerWaalsContact CD1-CB 3.4Å; Y702-S706 VanDerWaalsContact CE1-CB 3.46Å; Y702-W710 HydrophobicContact CD1-CE3 4.27Å; Y702-W710 AromaticContact CD1-CH2 3.36Å; Y702-W710 HydrophobicContact CD1-CH2 3.36Å; Y702-W710 HydrophobicContact CD1-CZ2 4.3Å; Y702-W710 AromaticContact CD1-CZ3 3.34Å; Y702-W710 HydrophobicContact CD1-CZ3 3.34Å; Y702-W710 AromaticContact CE1-CH2 3.23Å; Y702-W710 HydrophobicContact CE1-CH2 3.23Å; Y702-W710 AromaticContact CE1-CZ2 3.86Å; Y702-W710 HydrophobicContact CE1-CZ2 3.86Å; Y702-W710 AromaticContact CE1-CZ3 3.76Å; Y702-W710 HydrophobicContact CE1-CZ3 3.76Å; Y702-W710 HydrophobicContact CE2-CH2 4.42Å; Y702-W710 HydrophobicContact CG-CH2 4.07Å; Y702-W710 AromaticContact CG-CZ3 3.91Å; Y702-W710 HydrophobicContact CG-CZ3 3.91Å; Y702-W710 AromaticContact CZ-CH2 3.82Å; Y702-L724 HydrophobicContact CD2-CD1 4.25Å; Y702-L724 PolarHBondContact N-O 2.87Å |
| 703 | P | 87.7 | Confident | 75.9 | Confident | 76 Ų | 76 | 94 Ų | 94 | 49% | 0.494 | 46% | 0.464 | S | S | . | . | trans | -51.4 | 132.5 | -178.6 | -29.8 | 36.6 | 0 | 0 | 0 | 112.4 | T705 S706 C707 | P703-T705 PolarHBondContact O-N 2.66Å; P703-T705 VanDerWaalsContact O-N 3.1Å; P703-S706 WeakPolarHBondContact O-CB 3.35Å; P703-S706 PolarHBondContact O-N 3.35Å; P703-C707 PolarHBondContact O-N 3.3Å | ||
| 704 | K | 83.2 | Confident | 78.3 | Confident | 161 Ų | 161 | 87.2 Ų | 87.2 | 70% | 0.7 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -51.3 | -38.2 | -176.6 | -173 | 179.4 | 179.8 | -175.6 | 0 | 112.6 | Y702 C707 V708 | Y702-K704 PolarHBondContact O-N 2.89Å; K704-C707 PolarHBondContact O-N 3.08Å; K704-V708 WeakPolarHBondContact O-CB 3.2Å; K704-V708 VanDerWaalsContact O-CG2 3.26Å; K704-V708 WeakPolarHBondContact O-CG2 3.26Å; K704-V708 PolarHBondContact O-N 3.49Å |
| 705 | T | 86.2 | Confident | 80.6 | Confident | 114 Ų | 114 | 86.6 Ų | 86.6 | 70% | 0.699 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.3 | -45.9 | 177 | 48 | 0 | 0 | 0 | 0 | 112.2 | P703 V708 A709 | P703-T705 PolarHBondContact O-N 2.66Å; P703-T705 VanDerWaalsContact O-N 3.1Å; T705-V708 PolarHBondContact O-N 3.3Å; T705-A709 WeakPolarHBondContact O-CB 3.3Å; T705-A709 PolarHBondContact O-N 3.11Å |
| 706 | S | 87.7 | Confident | 82.9 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | Y702 P703 V708 A709 W710 | Y702-S706 VanDerWaalsContact CD1-CB 3.4Å; Y702-S706 VanDerWaalsContact CE1-CB 3.46Å; P703-S706 WeakPolarHBondContact O-CB 3.35Å; P703-S706 PolarHBondContact O-N 3.35Å; S706-V708 VanDerWaalsContact C-N 3.32Å; S706-V708 PolarHBondContact O-N 3.38Å; S706-A709 PolarHBondContact O-N 3.5Å; S706-W710 WeakPolarHBondContact O-CB 3.03Å; S706-W710 PolarHBondContact O-N 3.18Å |
| 707 | C | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.8 | -71 | 0 | 0 | 0 | 0 | 112.3 | P703 K704 W710 K711 C725 T728 | P703-C707 PolarHBondContact O-N 3.3Å; K704-C707 PolarHBondContact O-N 3.08Å; C707-W710 PolarHBondContact O-N 3.45Å; C707-K711 WeakPolarHBondContact O-CB 3.4Å; C707-K711 PolarHBondContact O-N 2.05Å; C707-C725 WeakPolarHBondContact CA-SG 3.47Å; C707-C725 HydrophobicContact CB-CB 3.58Å; C707-C725 WeakPolarHBondContact CB-SG 3.31Å; C707-C725 VanDerWaalsContact SG-CA 3.55Å; C707-C725 WeakPolarHBondContact SG-CB 3.11Å; C707-C725 CovalentContact SG-SG 2.03Å; C707-C725 PolarHBondContact SG-SG 3.23Å; C707-T728 VanDerWaalsContact C-CG2 3.45Å; C707-T728 HydrophobicContact CB-CG2 3.88Å; C707-T728 VanDerWaalsContact O-CG2 3.26Å; C707-T728 WeakPolarHBondContact O-CG2 3.35Å |
| 708 | V | 88.5 | Confident | 85.1 | Confident | 58 Ų | 58 | 76.1 Ų | 76.1 | 35% | 0.352 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | K704 T705 S706 W710 K711 N712 T728 | K704-V708 WeakPolarHBondContact O-CB 3.2Å; K704-V708 VanDerWaalsContact O-CG2 3.26Å; K704-V708 WeakPolarHBondContact O-CG2 3.26Å; K704-V708 PolarHBondContact O-N 3.49Å; T705-V708 PolarHBondContact O-N 3.3Å; S706-V708 VanDerWaalsContact C-N 3.32Å; S706-V708 PolarHBondContact O-N 3.38Å; V708-W710 PolarHBondContact O-N 2.89Å; V708-K711 PolarHBondContact O-N 2.87Å; V708-N712 WeakPolarHBondContact O-CB 3.31Å; V708-N712 PolarHBondContact O-N 2.9Å; V708-N712 PolarHBondContact O-OD1 2.04Å; V708-T728 HydrophobicContact CG2-CG2 4.16Å |
| 709 | A | 83.1 | Confident | 85 | Confident | 15 Ų | 15 | 78.4 Ų | 78.4 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F484 T705 S706 K711 N712 T713 | F484-A709 HydrophobicContact CD2-CB 4.03Å; F484-A709 HydrophobicContact CE2-CB 4.25Å; F484-A709 HydrophobicContact CG-CB 4.24Å; T705-A709 WeakPolarHBondContact O-CB 3.3Å; T705-A709 PolarHBondContact O-N 3.11Å; S706-A709 PolarHBondContact O-N 3.5Å; A709-K711 VanDerWaalsContact C-N 3.34Å; A709-K711 PolarHBondContact O-N 2.75Å; A709-N712 PolarHBondContact O-N 2.98Å; A709-T713 WeakPolarHBondContact O-CG2 3.47Å; A709-T713 PolarHBondContact O-N 3.29Å; A709-T713 PolarHBondContact O-OG1 3.09Å; A709-T713 VanDerWaalsContact O-OG1 3.13Å |
| 710 | W | 87.8 | Confident | 84.7 | Confident | 51 Ų | 51 | 79.7 Ų | 79.7 | 19% | 0.193 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.9 | -72.7 | -25.4 | 0 | 0 | 0 | 113.6 | Y702 S706 C707 V708 T713 G714 Y715 V721 C725 | Y702-W710 HydrophobicContact CD1-CE3 4.27Å; Y702-W710 AromaticContact CD1-CH2 3.36Å; Y702-W710 HydrophobicContact CD1-CH2 3.36Å; Y702-W710 HydrophobicContact CD1-CZ2 4.3Å; Y702-W710 AromaticContact CD1-CZ3 3.34Å; Y702-W710 HydrophobicContact CD1-CZ3 3.34Å; Y702-W710 AromaticContact CE1-CH2 3.23Å; Y702-W710 HydrophobicContact CE1-CH2 3.23Å; Y702-W710 AromaticContact CE1-CZ2 3.86Å; Y702-W710 HydrophobicContact CE1-CZ2 3.86Å; Y702-W710 AromaticContact CE1-CZ3 3.76Å; Y702-W710 HydrophobicContact CE1-CZ3 3.76Å; Y702-W710 HydrophobicContact CE2-CH2 4.42Å; Y702-W710 HydrophobicContact CG-CH2 4.07Å; Y702-W710 AromaticContact CG-CZ3 3.91Å; Y702-W710 HydrophobicContact CG-CZ3 3.91Å; Y702-W710 AromaticContact CZ-CH2 3.82Å; S706-W710 WeakPolarHBondContact O-CB 3.03Å; S706-W710 PolarHBondContact O-N 3.18Å; C707-W710 PolarHBondContact O-N 3.45Å; V708-W710 PolarHBondContact O-N 2.89Å; W710-T713 WeakPolarHBondContact CA-OG1 3.45Å; W710-T713 PolarHBondContact O-N 2.73Å; W710-T713 PolarHBondContact O-OG1 3.36Å; W710-G714 PolarHBondContact O-N 3.43Å; W710-Y715 WeakPolarHBondContact O-CB 3.4Å; W710-Y715 PolarHBondContact O-N 2.98Å; W710-V721 HydrophobicContact CB-CG1 3.87Å; W710-V721 HydrophobicContact CD2-CG1 4.14Å; W710-V721 HydrophobicContact CD2-CG2 3.99Å; W710-V721 HydrophobicContact CE3-CB 4.34Å; W710-V721 HydrophobicContact CE3-CG1 3.75Å; W710-V721 HydrophobicContact CE3-CG2 3.99Å; W710-V721 HydrophobicContact CG-CG1 4.25Å; W710-V721 HydrophobicContact CG-CG2 4.34Å; W710-V721 HydrophobicContact CZ3-CG2 4.38Å; W710-C725 VanDerWaalsContact CE3-SG 3.52Å |
| 711 | K | 86.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 172 | -176.9 | -169.6 | -173 | 167.1 | 0 | 111.2 | C707 V708 A709 T713 G714 T728 H730 | C707-K711 WeakPolarHBondContact O-CB 3.4Å; C707-K711 PolarHBondContact O-N 2.05Å; V708-K711 PolarHBondContact O-N 2.87Å; A709-K711 VanDerWaalsContact C-N 3.34Å; A709-K711 PolarHBondContact O-N 2.75Å; K711-T713 PolarHBondContact O-N 3.07Å; K711-G714 PolarHBondContact O-N 3.36Å; K711-G714 VanDerWaalsContact O-N 3.12Å; K711-T728 HydrophobicContact CB-CG2 3.87Å; K711-T728 HydrophobicContact CD-CG2 3.83Å; K711-T728 VanDerWaalsContact CD-O 3.31Å; K711-T728 WeakPolarHBondContact CD-O 3.34Å; K711-T728 WeakPolarHBondContact CE-O 3.34Å; K711-T728 HydrophobicContact CG-CG2 4.42Å; K711-T728 PolarHBondContact NZ-O 3.24Å; K711-H730 PolarHBondContact NZ-NE2 3.25Å |
| 712 | N | 87.2 | Confident | 84.1 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 68% | 0.684 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.2 | -25.5 | -178.1 | -67.9 | -8.9 | 0 | 0 | 0 | 112.7 | V708 A709 | V708-N712 WeakPolarHBondContact O-CB 3.31Å; V708-N712 PolarHBondContact O-N 2.9Å; V708-N712 PolarHBondContact O-OD1 2.04Å; A709-N712 PolarHBondContact O-N 2.98Å |
| 713 | T | 82.5 | Confident | 83.9 | Confident | 72 Ų | 72 | 75 Ų | 75 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.2 | 175.6 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | A709 W710 K711 Y715 | A709-T713 WeakPolarHBondContact O-CG2 3.47Å; A709-T713 PolarHBondContact O-N 3.29Å; A709-T713 PolarHBondContact O-OG1 3.09Å; A709-T713 VanDerWaalsContact O-OG1 3.13Å; W710-T713 WeakPolarHBondContact CA-OG1 3.45Å; W710-T713 PolarHBondContact O-N 2.73Å; W710-T713 PolarHBondContact O-OG1 3.36Å; K711-T713 PolarHBondContact O-N 3.07Å; T713-Y715 WeakPolarHBondContact O-CD2 3.03Å; T713-Y715 WeakPolarHBondContact OG1-CD2 3.02Å; T713-Y715 WeakPolarHBondContact OG1-CE2 3.04Å |
| 714 | G | 82.4 | Confident | 84 | Confident | 41 Ų | 41 | 74.3 Ų | 74.3 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 12.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W710 K711 C716 | W710-G714 PolarHBondContact O-N 3.43Å; K711-G714 PolarHBondContact O-N 3.36Å; K711-G714 VanDerWaalsContact O-N 3.12Å; G714-C716 VanDerWaalsContact C-N 3.27Å; G714-C716 PolarHBondContact O-N 2.77Å |
| 715 | Y | 85.8 | Confident | 84.3 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -78.6 | -6 | -174.4 | -80.8 | -120.2 | 0 | 0 | 0 | 114.2 | W710 T713 N717 F718 V721 | W710-Y715 WeakPolarHBondContact O-CB 3.4Å; W710-Y715 PolarHBondContact O-N 2.98Å; T713-Y715 WeakPolarHBondContact O-CD2 3.03Å; T713-Y715 WeakPolarHBondContact OG1-CD2 3.02Å; T713-Y715 WeakPolarHBondContact OG1-CE2 3.04Å; Y715-N717 PolarHBondContact O-N 3.4Å; Y715-F718 AromaticContact CD1-CD2 3.75Å; Y715-F718 HydrophobicContact CD1-CD2 3.75Å; Y715-F718 AromaticContact CD1-CE2 3.88Å; Y715-F718 HydrophobicContact CD1-CE2 3.88Å; Y715-F718 HydrophobicContact CE1-CD2 4.49Å; Y715-F718 HydrophobicContact CE1-CE2 4.24Å; Y715-F718 AromaticContact CG-CD2 3.96Å; Y715-F718 HydrophobicContact CG-CD2 3.96Å; Y715-F718 HydrophobicContact CG-CE2 4.06Å; Y715-F718 WeakPolarHBondContact O-CD2 3.28Å; Y715-F718 PolarHBondContact O-N 3.36Å; Y715-V721 WeakPolarHBondContact O-CB 3.11Å |
| 716 | C | 86 | Confident | 84.4 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -57.9 | -16.8 | 175.4 | -73.2 | 0 | 0 | 0 | 0 | 113.7 | G714 F718 C729 | G714-C716 VanDerWaalsContact C-N 3.27Å; G714-C716 PolarHBondContact O-N 2.77Å; C716-F718 VanDerWaalsContact C-N 3.33Å; C716-C729 VanDerWaalsContact CA-SG 3.53Å; C716-C729 HydrophobicContact CB-CB 3.64Å; C716-C729 WeakPolarHBondContact CB-SG 3.35Å; C716-C729 WeakPolarHBondContact SG-CA 3.44Å; C716-C729 WeakPolarHBondContact SG-CB 3.31Å; C716-C729 CovalentContact SG-SG 2.04Å; C716-C729 PolarHBondContact SG-SG 2.97Å |
| 717 | N | 81.9 | Confident | 84.5 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 79% | 0.786 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -78.2 | -13.2 | 175.5 | -63.3 | -22.9 | 0 | 0 | 0 | 113.7 | Y715 | Y715-N717 PolarHBondContact O-N 3.4Š|
| 718 | F | 79.2 | Confident | 84.6 | Confident | 101 Ų | 101 | 67.9 Ų | 67.9 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -83.5 | 135.4 | 178.2 | -67.5 | -80.1 | 0 | 0 | 0 | 111.5 | Y715 C716 H720 V721 S722 | Y715-F718 AromaticContact CD1-CD2 3.75Å; Y715-F718 HydrophobicContact CD1-CD2 3.75Å; Y715-F718 AromaticContact CD1-CE2 3.88Å; Y715-F718 HydrophobicContact CD1-CE2 3.88Å; Y715-F718 HydrophobicContact CE1-CD2 4.49Å; Y715-F718 HydrophobicContact CE1-CE2 4.24Å; Y715-F718 AromaticContact CG-CD2 3.96Å; Y715-F718 HydrophobicContact CG-CD2 3.96Å; Y715-F718 HydrophobicContact CG-CE2 4.06Å; Y715-F718 WeakPolarHBondContact O-CD2 3.28Å; Y715-F718 PolarHBondContact O-N 3.36Å; C716-F718 VanDerWaalsContact C-N 3.33Å; F718-H720 PolarHBondContact O-N 3.3Å; F718-H720 VanDerWaalsContact O-N 3.13Å; F718-V721 HydrophobicContact CB-CG2 4.41Å; F718-V721 PolarHBondContact O-N 3.23Å; F718-V721 VanDerWaalsContact O-N 3.15Å; F718-S722 WeakPolarHBondContact O-CB 3.13Å; F718-S722 PolarHBondContact O-N 3.26Å; F718-S722 PolarHBondContact O-OG 3.31Å |
| 719 | P | 74.8 | Confident | 84.7 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.2 | -27.7 | -177.7 | -28.8 | 35.5 | 0 | 0 | 0 | 115.6 | S722 K723 | P719-S722 VanDerWaalsContact CA-OG 3.23Å; P719-S722 WeakPolarHBondContact CA-OG 3.39Å; P719-S722 PolarHBondContact O-OG 2.86Å; P719-K723 WeakPolarHBondContact O-CD 3.28Å; P719-K723 VanDerWaalsContact O-CG 3.26Å; P719-K723 WeakPolarHBondContact O-CG 3.33Å |
| 720 | H | 78.4 | Confident | 84.9 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.1 | -36.1 | 179.2 | 65.5 | -87.4 | 0 | 0 | 0 | 112 | F718 L724 | F718-H720 PolarHBondContact O-N 3.3Å; F718-H720 VanDerWaalsContact O-N 3.13Å; H720-L724 WeakPolarHBondContact O-CD1 3.17Å; H720-L724 VanDerWaalsContact O-CG 3.27Å; H720-L724 WeakPolarHBondContact O-CG 3.43Å |
| 721 | V | 80.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.1 | -47.3 | 176 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | W710 Y715 F718 K723 L724 C725 | W710-V721 HydrophobicContact CB-CG1 3.87Å; W710-V721 HydrophobicContact CD2-CG1 4.14Å; W710-V721 HydrophobicContact CD2-CG2 3.99Å; W710-V721 HydrophobicContact CE3-CB 4.34Å; W710-V721 HydrophobicContact CE3-CG1 3.75Å; W710-V721 HydrophobicContact CE3-CG2 3.99Å; W710-V721 HydrophobicContact CG-CG1 4.25Å; W710-V721 HydrophobicContact CG-CG2 4.34Å; W710-V721 HydrophobicContact CZ3-CG2 4.38Å; Y715-V721 WeakPolarHBondContact O-CB 3.11Å; F718-V721 HydrophobicContact CB-CG2 4.41Å; F718-V721 PolarHBondContact O-N 3.23Å; F718-V721 VanDerWaalsContact O-N 3.15Å; V721-K723 PolarHBondContact O-N 3.49Å; V721-L724 PolarHBondContact O-N 3.3Å; V721-C725 HydrophobicContact CG1-CB 4.47Å; V721-C725 PolarHBondContact O-N 3.25Å |
| 722 | S | 81.2 | Confident | 84 | Confident | 25 Ų | 25 | 69.3 Ų | 69.3 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.7 | -33.9 | 179.8 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | F718 P719 L726 L731 | F718-S722 WeakPolarHBondContact O-CB 3.13Å; F718-S722 PolarHBondContact O-N 3.26Å; F718-S722 PolarHBondContact O-OG 3.31Å; P719-S722 VanDerWaalsContact CA-OG 3.23Å; P719-S722 WeakPolarHBondContact CA-OG 3.39Å; P719-S722 PolarHBondContact O-OG 2.86Å; S722-L726 WeakPolarHBondContact O-CD2 3.45Å; S722-L731 WeakPolarHBondContact O-CD1 3.4Å |
| 723 | K | 82.4 | Confident | 82.8 | Confident | 152 Ų | 152 | 71.2 Ų | 71.2 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -74.9 | -27.1 | 174.9 | -75.3 | 178.8 | -177.8 | -177.7 | 0 | 114.1 | P719 V721 | P719-K723 WeakPolarHBondContact O-CD 3.28Å; P719-K723 VanDerWaalsContact O-CG 3.26Å; P719-K723 WeakPolarHBondContact O-CG 3.33Å; V721-K723 PolarHBondContact O-N 3.49Å |
| 724 | L | 88.6 | Confident | 81.4 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -94.5 | -30.8 | -175.4 | -72.7 | 177.7 | 0 | 0 | 0 | 112.7 | D700 R701 Y702 H720 V721 | D700-L724 CarbonylContact C-O 3.59Å; R701-L724 HydrophobicContact CB-CD2 4.28Å; R701-L724 PolarHBondContact N-O 3.05Å; Y702-L724 HydrophobicContact CD2-CD1 4.25Å; Y702-L724 PolarHBondContact N-O 2.87Å; H720-L724 WeakPolarHBondContact O-CD1 3.17Å; H720-L724 VanDerWaalsContact O-CG 3.27Å; H720-L724 WeakPolarHBondContact O-CG 3.43Å; V721-L724 PolarHBondContact O-N 3.3Å |
| 725 | C | 90.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -118.3 | 48.3 | -173.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | D700 C707 W710 V721 K727 T728 C729 | D700-C725 WeakPolarHBondContact OD1-CA 3.35Å; C707-C725 WeakPolarHBondContact CA-SG 3.47Å; C707-C725 HydrophobicContact CB-CB 3.58Å; C707-C725 WeakPolarHBondContact CB-SG 3.31Å; C707-C725 VanDerWaalsContact SG-CA 3.55Å; C707-C725 WeakPolarHBondContact SG-CB 3.11Å; C707-C725 CovalentContact SG-SG 2.03Å; C707-C725 PolarHBondContact SG-SG 3.23Å; W710-C725 VanDerWaalsContact CE3-SG 3.52Å; V721-C725 HydrophobicContact CG1-CB 4.47Å; V721-C725 PolarHBondContact O-N 3.25Å; C725-K727 VanDerWaalsContact C-N 3.33Å; C725-K727 PolarHBondContact O-N 3.05Å; C725-T728 PolarHBondContact O-N 2.88Å; C725-C729 WeakPolarHBondContact O-CB 3.21Å; C725-C729 PolarHBondContact O-N 3.03Å; C725-C729 PolarHBondContact O-SG 2.85Å | ||
| 726 | L | 88.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 75.5 Ų | 75.5 | 12% | 0.12 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -42.9 | -173.1 | -71.3 | 162.8 | 0 | 0 | 0 | 113.5 | D700 S722 H730 L731 C732 I735 | D700-L726 PolarHBondContact OD1-N 2.85Å; S722-L726 WeakPolarHBondContact O-CD2 3.45Å; L726-H730 PolarHBondContact O-N 2.57Å; L726-L731 HydrophobicContact CD2-CB 4.1Å; L726-L731 PolarHBondContact O-N 2.95Å; L726-C732 PolarHBondContact O-N 3.2Å; L726-I735 HydrophobicContact CD1-CD1 4.23Å; L726-I735 HydrophobicContact CD2-CD1 3.76Å |
| 727 | K | 89.1 | Confident | 75.9 | Confident | 127 Ų | 127 | 79 Ų | 79 | 55% | 0.552 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -47.2 | -178 | -174 | 176.7 | -176.6 | 169.7 | 0 | 110.8 | D700 C725 C729 H730 | D700-K727 WeakPolarHBondContact OD1-CA 3.31Å; D700-K727 WeakPolarHBondContact OD1-CB 3.14Å; D700-K727 PolarHBondContact OD1-N 3.34Å; C725-K727 VanDerWaalsContact C-N 3.33Å; C725-K727 PolarHBondContact O-N 3.05Å; K727-C729 PolarHBondContact O-N 3.41Å; K727-H730 PolarHBondContact O-N 3.3Å |
| 728 | T | 91.4 | Very high | 74.1 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -37.9 | -179 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | D700 C707 V708 K711 C725 H730 | D700-T728 PolarHBondContact OD1-N 2.96Å; D700-T728 WeakPolarHBondContact OD2-CB 3.26Å; D700-T728 PolarHBondContact OD2-N 2.97Å; D700-T728 PolarHBondContact OD2-OG1 3.21Å; C707-T728 VanDerWaalsContact C-CG2 3.45Å; C707-T728 HydrophobicContact CB-CG2 3.88Å; C707-T728 VanDerWaalsContact O-CG2 3.26Å; C707-T728 WeakPolarHBondContact O-CG2 3.35Å; V708-T728 HydrophobicContact CG2-CG2 4.16Å; K711-T728 HydrophobicContact CB-CG2 3.87Å; K711-T728 HydrophobicContact CD-CG2 3.83Å; K711-T728 VanDerWaalsContact CD-O 3.31Å; K711-T728 WeakPolarHBondContact CD-O 3.34Å; K711-T728 WeakPolarHBondContact CE-O 3.34Å; K711-T728 HydrophobicContact CG-CG2 4.42Å; K711-T728 PolarHBondContact NZ-O 3.24Å; C725-T728 PolarHBondContact O-N 2.88Å; T728-H730 PolarHBondContact O-N 3.1Å |
| 729 | C | 90.4 | Very high | 72.4 | Confident | 13 Ų | 13 | 77 Ų | 77 | 9% | 0.088 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 5.8 | 175.5 | -68 | 0 | 0 | 0 | 0 | 114.2 | C716 C725 K727 L731 | C716-C729 VanDerWaalsContact CA-SG 3.53Å; C716-C729 HydrophobicContact CB-CB 3.64Å; C716-C729 WeakPolarHBondContact CB-SG 3.35Å; C716-C729 WeakPolarHBondContact SG-CA 3.44Å; C716-C729 WeakPolarHBondContact SG-CB 3.31Å; C716-C729 CovalentContact SG-SG 2.04Å; C716-C729 PolarHBondContact SG-SG 2.97Å; C725-C729 WeakPolarHBondContact O-CB 3.21Å; C725-C729 PolarHBondContact O-N 3.03Å; C725-C729 PolarHBondContact O-SG 2.85Å; K727-C729 PolarHBondContact O-N 3.41Å; C729-L731 HydrophobicContact CB-CD1 3.86Å; C729-L731 HydrophobicContact CB-CG 3.96Å; C729-L731 PolarHBondContact O-N 3.02Å |
| 730 | H | 87 | Confident | 71.1 | Confident | 133 Ų | 133 | 80.3 Ų | 80.3 | 62% | 0.616 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 27 | -179.3 | -56.8 | -64.1 | 0 | 0 | 0 | 115.1 | K711 L726 K727 T728 C732 | K711-H730 PolarHBondContact NZ-NE2 3.25Å; L726-H730 PolarHBondContact O-N 2.57Å; K727-H730 PolarHBondContact O-N 3.3Å; T728-H730 PolarHBondContact O-N 3.1Å; H730-C732 VanDerWaalsContact C-N 3.32Å |
| 731 | L | 83.5 | Confident | 69.3 | Low | 49 Ų | 49 | 81.5 Ų | 81.5 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.5 | -179.3 | -61.1 | 172 | 0 | 0 | 0 | 113.3 | S722 L726 C729 K733 T734 | S722-L731 WeakPolarHBondContact O-CD1 3.4Å; L726-L731 HydrophobicContact CD2-CB 4.1Å; L726-L731 PolarHBondContact O-N 2.95Å; C729-L731 HydrophobicContact CB-CD1 3.86Å; C729-L731 HydrophobicContact CB-CG 3.96Å; C729-L731 PolarHBondContact O-N 3.02Å; L731-K733 PolarHBondContact O-N 2.88Å; L731-T734 PolarHBondContact O-N 2.86Å; L731-T734 PolarHBondContact O-OG1 2.54Å; L731-T734 VanDerWaalsContact O-OG1 3.08Å |
| 732 | C | 72.8 | Confident | 67.3 | Low | 40 Ų | 40 | 90.7 Ų | 90.7 | 27% | 0.27 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.6 | -34.2 | 173 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | C698 L726 H730 T734 | C698-C732 HydrophobicContact CB-CB 3.74Å; C698-C732 WeakPolarHBondContact CB-SG 3.28Å; C698-C732 WeakPolarHBondContact SG-CA 3.44Å; C698-C732 WeakPolarHBondContact SG-CB 3.46Å; C698-C732 CovalentContact SG-SG 2.01Å; C698-C732 PolarHBondContact SG-SG 3.05Å; L726-C732 PolarHBondContact O-N 3.2Å; H730-C732 VanDerWaalsContact C-N 3.32Å; C732-T734 PolarHBondContact O-N 3.27Å |
| 733 | K | 61.6 | Low | 65.5 | Low | 167 Ų | 167 | 94.1 Ų | 94.1 | 73% | 0.726 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -78.4 | -15.9 | -175.6 | -77.1 | -176.3 | 174.1 | -178.2 | 0 | 113.9 | L731 | L731-K733 PolarHBondContact O-N 2.88Å |
| 734 | T | 52.6 | Low | 63.6 | Low | 72 Ų | 72 | 93.8 Ų | 93.8 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -83 | -21.6 | 178.4 | 6 | 0 | 0 | 0 | 0 | 112.9 | L731 C732 L738 | L731-T734 PolarHBondContact O-N 2.86Å; L731-T734 PolarHBondContact O-OG1 2.54Å; L731-T734 VanDerWaalsContact O-OG1 3.08Å; C732-T734 PolarHBondContact O-N 3.27Å; T734-L738 WeakPolarHBondContact O-CB 2.77Å; T734-L738 WeakPolarHBondContact O-CD1 2.94Å; T734-L738 VanDerWaalsContact O-CG 3.29Å; T734-L738 WeakPolarHBondContact O-CG 3Å; T734-L738 PolarHBondContact O-N 3.47Å |
| 735 | I | 50.8 | Low | 61.1 | Low | 90 Ų | 90 | 98.1 Ų | 98.1 | 46% | 0.462 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -81.5 | -31.4 | -178.7 | -64.4 | 174.7 | 0 | 0 | 0 | 111.9 | L726 S739 | L726-I735 HydrophobicContact CD1-CD1 4.23Å; L726-I735 HydrophobicContact CD2-CD1 3.76Å; I735-S739 PolarHBondContact O-N 3.33Å |
| 736 | E | 44.1 | Very low | 58.4 | Low | 147 Ų | 147 | 107.9 Ų | 107.9 | 69% | 0.687 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.2 | -32.5 | 171.9 | -82.6 | -175.9 | 145.2 | 0 | 0 | 113.2 | S739 K740 | E736-S739 PolarHBondContact O-OG 1.97Å; E736-K740 PolarHBondContact O-N 2.99Å |
| 737 | L | 43.8 | Very low | 56.9 | Low | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.8 | -36.4 | 175.1 | -85.7 | 154.5 | 0 | 0 | 0 | 111.6 | S739 K740 Y741 | L737-S739 PolarHBondContact O-N 2.9Å; L737-K740 PolarHBondContact O-N 2.01Å; L737-Y741 HydrophobicContact CD2-CE2 3.96Å; L737-Y741 WeakPolarHBondContact O-CD2 3Å; L737-Y741 PolarHBondContact O-N 3.3Å |
| 738 | L | 43.7 | Very low | 55.2 | Low | 123 Ų | 123 | 111.4 Ų | 111.4 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.4 | -21.7 | 178.2 | -72.6 | 168.1 | 0 | 0 | 0 | 113.8 | T734 | T734-L738 WeakPolarHBondContact O-CB 2.77Å; T734-L738 WeakPolarHBondContact O-CD1 2.94Å; T734-L738 VanDerWaalsContact O-CG 3.29Å; T734-L738 WeakPolarHBondContact O-CG 3Å; T734-L738 PolarHBondContact O-N 3.47Å |
| 739 | S | 44.9 | Very low | 53.2 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 57% | 0.566 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.9 | -30.1 | 171.7 | 78.6 | 0 | 0 | 0 | 0 | 112.3 | I735 E736 L737 | I735-S739 PolarHBondContact O-N 3.33Å; E736-S739 PolarHBondContact O-OG 1.97Å; L737-S739 PolarHBondContact O-N 2.9Å |
| 740 | K | 46.3 | Very low | 51 | Low | 162 Ų | 162 | 122.8 Ų | 122.8 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.8 | -25.7 | -179.1 | -160.1 | 172.9 | -176.8 | 178.2 | 0 | 114.2 | E736 L737 | E736-K740 PolarHBondContact O-N 2.99Å; L737-K740 PolarHBondContact O-N 2.01Å |
| 741 | Y | 41.7 | Very low | 48.8 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 52% | 0.522 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -102.8 | -1.4 | 179.3 | -66.8 | -72.3 | 0 | 0 | 0 | 114.7 | L737 L744 | L737-Y741 HydrophobicContact CD2-CE2 3.96Å; L737-Y741 WeakPolarHBondContact O-CD2 3Å; L737-Y741 PolarHBondContact O-N 3.3Å; Y741-L744 PolarHBondContact O-N 3.22Å |
| 742 | R | 38.9 | Very low | 46.5 | Very low | 193 Ų | 193 | 127.1 Ų | 127.1 | 73% | 0.728 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -63.5 | -27.3 | 179.2 | -139.7 | 174.2 | -154.3 | 174.4 | 7 | 115.1 | L744 I746 | R742-L744 VanDerWaalsContact C-N 3.27Å; R742-L744 PolarHBondContact O-N 2.94Å; R742-I746 WeakPolarHBondContact O-CG1 3.46Å |
| 743 | P | 43.1 | Very low | 44.6 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 63% | 0.63 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -76.1 | -7.4 | 175.1 | -15.9 | 30.8 | 0 | 0 | 0 | 115.1 | ||
| 744 | L | 42 | Very low | 43.3 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -107 | 3.3 | -177 | -74.7 | 162.1 | 0 | 0 | 0 | 113.5 | Y741 R742 | Y741-L744 PolarHBondContact O-N 3.22Å; R742-L744 VanDerWaalsContact C-N 3.27Å; R742-L744 PolarHBondContact O-N 2.94Å |
| 745 | I | 37.4 | Very low | 42.5 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | trans | -132.1 | 35.8 | 176.3 | -43.9 | 179.8 | 0 | 0 | 0 | 110 | ||||
| 746 | I | 33.3 | Very low | 41.7 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 100% | 1.056 | 69% | 0.69 | S | S | * | * | trans | -98.8 | 0 | 170.7 | -67.8 | 171.4 | 0 | 0 | 0 | 109.9 | R742 | R742-I746 WeakPolarHBondContact O-CG1 3.46Š|
Retrieved 746 of 746 residues in 609.5 ms
(Link to these results)