| 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 | 44.8 | Very low | 46.7 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 100% | 1.187 | 86% | 0.861 | S | S | * | * | 0 | 80.7 | 0 | -74.3 | 178.9 | 169 | 0 | 0 | 107.8 | |||||
| 2 | I | 44.8 | Very low | 47 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | trans | -139.1 | 91.5 | 175.2 | -58.5 | 178.1 | 0 | 0 | 0 | 104.5 | ||||
| 3 | S | 49.9 | Very low | 47.8 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 85% | 0.85 | S | S | * | * | trans | -110.6 | 126.2 | 176 | 46.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | D | 52.9 | Low | 49.6 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | 67.5 | 74.4 | 151.3 | -61.6 | -34.6 | 0 | 0 | 0 | 118.7 | ||||
| 5 | I | 49.8 | Very low | 52.1 | Low | 182 Ų | 182 | 138.1 Ų | 138.1 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | trans | -88.8 | 87 | 143.4 | -58.2 | 169.5 | 0 | 0 | 0 | 105.4 | ||||
| 6 | G | 47.7 | Very low | 54.4 | Low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -155.8 | 29.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 7 | S | 42.9 | Very low | 56.6 | Low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -145.7 | 43.1 | -172.1 | 62.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 8 | D | 44.3 | Very low | 58.6 | Low | 170 Ų | 170 | 135.5 Ų | 135.5 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -137.9 | 29.8 | 179.2 | -121.1 | -0.6 | 0 | 0 | 0 | 116.1 | ||||
| 9 | S | 45.3 | Very low | 60.4 | Low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -128.3 | 31.4 | -177.6 | 64.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 10 | R | 41.7 | Very low | 62.1 | Low | 247 Ų | 247 | 131.3 Ų | 131.3 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | trans | -115 | 26.8 | -175 | -87.5 | -174.3 | 173.8 | 176.9 | -0.6 | 116.3 | S12 | R10-S12 PolarHBondContact O-N 3.27Š| ||
| 11 | S | 49.1 | Very low | 63.6 | Low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -91.1 | 86.3 | 165.5 | -163.4 | 0 | 0 | 0 | 0 | 110 | ||
| 12 | S | 50.7 | Low | 65.9 | Low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | 31 | 94 | 154.7 | -40.1 | 0 | 0 | 0 | 0 | 118.3 | R10 E14 | R10-S12 PolarHBondContact O-N 3.27Å; S12-E14 PolarHBondContact O-N 3.06Å | ||
| 13 | S | 57.2 | Low | 68.3 | Low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | trans | -67.2 | 98.7 | 161.2 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | T15 | S13-T15 PolarHBondContact O-N 3.3Š| ||
| 14 | E | 73.1 | Confident | 70.4 | Confident | 94 Ų | 94 | 127.3 Ų | 127.3 | 44% | 0.439 | 68% | 0.683 | S | S | . | * | trans | -53.9 | 121.2 | 168.8 | -176.2 | 170.2 | -160.3 | 0 | 0 | 108.6 | S12 D18 A19 R22 | S12-E14 PolarHBondContact O-N 3.06Å; E14-D18 HydrophobicContact CG-CB 3.89Å; E14-A19 HydrophobicContact CG-CB 4.31Å; E14-R22 VanDerWaalsContact CD-NH1 3.31Å; E14-R22 WeakPolarHBondContact OE1-CD 3.4Å; E14-R22 IonicContact OE1-CZ 3.63Å; E14-R22 IonicContact OE1-NE 3.81Å; E14-R22 IonicContact OE1-NH1 2.7Å; E14-R22 PolarHBondContact OE1-NH1 3.13Å; E14-R22 IonicContact OE2-NH1 3.19Å; E14-R22 PolarHBondContact OE2-NH1 3Å | ||
| 15 | T | 87.3 | Confident | 72.4 | Confident | 74 Ų | 74 | 126.9 Ų | 126.9 | 45% | 0.454 | 67% | 0.674 | S | S | . | * | trans | -69.5 | 148.5 | 176.7 | -45 | 0 | 0 | 0 | 0 | 107.9 | S13 E17 D18 A19 | S13-T15 PolarHBondContact O-N 3.3Å; T15-E17 HydrophobicContact CG2-CB 4.2Å; T15-E17 HydrophobicContact CG2-CG 4.38Å; T15-E17 PolarHBondContact O-N 3.13Å; T15-E17 VanDerWaalsContact O-N 3.13Å; T15-D18 VanDerWaalsContact CB-OD2 3.27Å; T15-D18 WeakPolarHBondContact CB-OD2 3.35Å; T15-D18 PolarHBondContact N-OD2 3.08Å; T15-D18 VanDerWaalsContact N-OD2 3.11Å; T15-D18 WeakPolarHBondContact O-CB 3.03Å; T15-D18 PolarHBondContact O-N 2.95Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.11Å; T15-A19 PolarHBondContact O-N 2.93Å; T15-A19 VanDerWaalsContact O-N 3.09Å | ||
| 16 | I | 88.9 | Confident | 74.3 | Confident | 128 Ų | 128 | 121.5 Ų | 121.5 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -51.1 | -39 | 173.1 | -67.5 | 172.8 | 0 | 0 | 0 | 110.5 | D18 A19 F20 | I16-D18 PolarHBondContact O-N 2.94Å; I16-A19 PolarHBondContact O-N 3.35Å; I16-F20 HydrophobicContact CG2-CD2 3.55Å; I16-F20 HydrophobicContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.27Å; I16-F20 PolarHBondContact O-N 2.96Å |
| 17 | E | 91.3 | Very high | 76.4 | Confident | 156 Ų | 156 | 121.9 Ų | 121.9 | 73% | 0.729 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.4 | -42.9 | 174.7 | -64.9 | -179.3 | 178.9 | 0 | 0 | 113.2 | T15 A19 F20 H21 | T15-E17 HydrophobicContact CG2-CB 4.2Å; T15-E17 HydrophobicContact CG2-CG 4.38Å; T15-E17 PolarHBondContact O-N 3.13Å; T15-E17 VanDerWaalsContact O-N 3.13Å; E17-A19 VanDerWaalsContact C-N 3.35Å; E17-A19 PolarHBondContact O-N 3.18Å; E17-F20 PolarHBondContact O-N 3.33Å; E17-H21 WeakPolarHBondContact O-CB 3.32Å; E17-H21 PolarHBondContact O-N 3.24Å |
| 18 | D | 93.4 | Very high | 78.8 | Confident | 84 Ų | 84 | 121.3 Ų | 121.3 | 45% | 0.449 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -41.7 | 177.4 | -62.4 | -45.5 | 0 | 0 | 0 | 110.9 | E14 T15 I16 H21 R22 | E14-D18 HydrophobicContact CG-CB 3.89Å; T15-D18 VanDerWaalsContact CB-OD2 3.27Å; T15-D18 WeakPolarHBondContact CB-OD2 3.35Å; T15-D18 PolarHBondContact N-OD2 3.08Å; T15-D18 VanDerWaalsContact N-OD2 3.11Å; T15-D18 WeakPolarHBondContact O-CB 3.03Å; T15-D18 PolarHBondContact O-N 2.95Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.11Å; I16-D18 PolarHBondContact O-N 2.94Å; D18-H21 PolarHBondContact O-N 3.33Å; D18-R22 WeakPolarHBondContact O-CG 3.44Å; D18-R22 PolarHBondContact O-N 3.29Å |
| 19 | A | 93 | Very high | 81 | Confident | 43 Ų | 43 | 120.8 Ų | 120.8 | 36% | 0.355 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.9 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E14 T15 I16 E17 R22 Y23 | E14-A19 HydrophobicContact CG-CB 4.31Å; T15-A19 PolarHBondContact O-N 2.93Å; T15-A19 VanDerWaalsContact O-N 3.09Å; I16-A19 PolarHBondContact O-N 3.35Å; E17-A19 VanDerWaalsContact C-N 3.35Å; E17-A19 PolarHBondContact O-N 3.18Å; A19-R22 PolarHBondContact O-N 3.05Å; A19-Y23 WeakPolarHBondContact O-CB 3.42Å; A19-Y23 PolarHBondContact O-N 3.37Å |
| 20 | F | 94.5 | Very high | 83 | Confident | 143 Ų | 143 | 118.2 Ų | 118.2 | 63% | 0.627 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.9 | -42.7 | 174.6 | -86.7 | -74.4 | 0 | 0 | 0 | 111.9 | I16 E17 R22 Y23 Q24 | I16-F20 HydrophobicContact CG2-CD2 3.55Å; I16-F20 HydrophobicContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.27Å; I16-F20 PolarHBondContact O-N 2.96Å; E17-F20 PolarHBondContact O-N 3.33Å; F20-R22 VanDerWaalsContact C-N 3.34Å; F20-R22 PolarHBondContact O-N 3.02Å; F20-Y23 PolarHBondContact O-N 2.91Å; F20-Q24 WeakPolarHBondContact O-CB 3.25Å; F20-Q24 PolarHBondContact O-N 3.05Å |
| 21 | H | 93.7 | Very high | 85.3 | Confident | 127 Ų | 127 | 111.4 Ų | 111.4 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -39.7 | 178 | -168.5 | -34.5 | 0 | 0 | 0 | 111.7 | E17 D18 K25 | E17-H21 WeakPolarHBondContact O-CB 3.32Å; E17-H21 PolarHBondContact O-N 3.24Å; D18-H21 PolarHBondContact O-N 3.33Å; H21-K25 WeakPolarHBondContact O-CB 3.44Å; H21-K25 PolarHBondContact O-N 3.03Å |
| 22 | R | 93.4 | Very high | 87.3 | Confident | 165 Ų | 165 | 108.9 Ų | 108.9 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.2 | -43.6 | 174.1 | -74.7 | 173.9 | 67 | -161.4 | -0.3 | 111.9 | E14 D18 A19 F20 K25 S26 | E14-R22 VanDerWaalsContact CD-NH1 3.31Å; E14-R22 WeakPolarHBondContact OE1-CD 3.4Å; E14-R22 IonicContact OE1-CZ 3.63Å; E14-R22 IonicContact OE1-NE 3.81Å; E14-R22 IonicContact OE1-NH1 2.7Å; E14-R22 PolarHBondContact OE1-NH1 3.13Å; E14-R22 IonicContact OE2-NH1 3.19Å; E14-R22 PolarHBondContact OE2-NH1 3Å; D18-R22 WeakPolarHBondContact O-CG 3.44Å; D18-R22 PolarHBondContact O-N 3.29Å; A19-R22 PolarHBondContact O-N 3.05Å; F20-R22 VanDerWaalsContact C-N 3.34Å; F20-R22 PolarHBondContact O-N 3.02Å; R22-K25 PolarHBondContact O-N 3.48Å; R22-S26 PolarHBondContact O-N 3.23Å |
| 23 | Y | 93.5 | Very high | 89.3 | Confident | 159 Ų | 159 | 105.6 Ų | 105.6 | 62% | 0.624 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 177.4 | -177.6 | -101.3 | 0 | 0 | 0 | 111.5 | A19 F20 K25 S26 L27 | A19-Y23 WeakPolarHBondContact O-CB 3.42Å; A19-Y23 PolarHBondContact O-N 3.37Å; F20-Y23 PolarHBondContact O-N 2.91Å; Y23-K25 PolarHBondContact O-N 3.34Å; Y23-S26 WeakPolarHBondContact O-CB 3.42Å; Y23-S26 PolarHBondContact O-N 3.19Å; Y23-S26 VanDerWaalsContact O-N 3.12Å; Y23-L27 PolarHBondContact O-N 3.33Å |
| 24 | Q | 94.5 | Very high | 90.9 | Very high | 109 Ų | 109 | 107.1 Ų | 107.1 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 175.7 | -178.5 | 178.9 | -12.7 | 0 | 0 | 111.6 | F20 S26 L27 E28 | F20-Q24 WeakPolarHBondContact O-CB 3.25Å; F20-Q24 PolarHBondContact O-N 3.05Å; Q24-S26 VanDerWaalsContact C-N 3.27Å; Q24-S26 PolarHBondContact O-N 3.23Å; Q24-L27 WeakPolarHBondContact O-CB 3.4Å; Q24-L27 PolarHBondContact O-N 3.29Å; Q24-L27 VanDerWaalsContact O-N 3.07Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.41Å; Q24-E28 PolarHBondContact NE2-OE1 2.93Å; Q24-E28 WeakPolarHBondContact O-CG 3.17Å; Q24-E28 PolarHBondContact O-N 3.03Å |
| 25 | K | 94.7 | Very high | 91.8 | Very high | 142 Ų | 142 | 107.8 Ų | 107.8 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -35.5 | 177.1 | -172.8 | 175 | -176.4 | 174.6 | 0 | 112.6 | H21 R22 Y23 K29 | H21-K25 WeakPolarHBondContact O-CB 3.44Å; H21-K25 PolarHBondContact O-N 3.03Å; R22-K25 PolarHBondContact O-N 3.48Å; Y23-K25 PolarHBondContact O-N 3.34Å; K25-K29 PolarHBondContact O-N 3.29Å; K25-K29 VanDerWaalsContact O-N 3.17Å |
| 26 | S | 90.8 | Very high | 92.1 | Very high | 68 Ų | 68 | 106.5 Ų | 106.5 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 173.5 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | R22 Y23 Q24 K29 V30 | R22-S26 PolarHBondContact O-N 3.23Å; Y23-S26 WeakPolarHBondContact O-CB 3.42Å; Y23-S26 PolarHBondContact O-N 3.19Å; Y23-S26 VanDerWaalsContact O-N 3.12Å; Q24-S26 VanDerWaalsContact C-N 3.27Å; Q24-S26 PolarHBondContact O-N 3.23Å; S26-K29 PolarHBondContact O-N 3.28Å; S26-V30 WeakPolarHBondContact O-CG2 3.33Å; S26-V30 PolarHBondContact O-N 3.28Å |
| 27 | L | 91.6 | Very high | 92.3 | Very high | 74 Ų | 74 | 100.5 Ų | 100.5 | 39% | 0.387 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 177.9 | -173.2 | 66.7 | 0 | 0 | 0 | 111.2 | Y23 Q24 K29 V30 E31 | Y23-L27 PolarHBondContact O-N 3.33Å; Q24-L27 WeakPolarHBondContact O-CB 3.4Å; Q24-L27 PolarHBondContact O-N 3.29Å; Q24-L27 VanDerWaalsContact O-N 3.07Å; L27-K29 PolarHBondContact O-N 3.22Å; L27-V30 PolarHBondContact O-N 3.4Å; L27-E31 HydrophobicContact CG-CG 4.49Å; L27-E31 WeakPolarHBondContact O-CG 3.35Å; L27-E31 PolarHBondContact O-N 2.62Å |
| 28 | E | 93.2 | Very high | 92.4 | Very high | 101 Ų | 101 | 94.6 Ų | 94.6 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.1 | -37.5 | 175.9 | -71 | 169.4 | -174.9 | 0 | 0 | 111.9 | Q24 S32 | Q24-E28 WeakPolarHBondContact CG-OE1 3.41Å; Q24-E28 PolarHBondContact NE2-OE1 2.93Å; Q24-E28 WeakPolarHBondContact O-CG 3.17Å; Q24-E28 PolarHBondContact O-N 3.03Å; E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.01Å; E28-S32 PolarHBondContact O-OG 3.22Å |
| 29 | K | 90.2 | Very high | 92.5 | Very high | 160 Ų | 160 | 96.4 Ų | 96.4 | 70% | 0.696 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -40.9 | 174.8 | -172.8 | -177.4 | 176.2 | -171.8 | 0 | 112.4 | K25 S26 L27 S32 L33 | K25-K29 PolarHBondContact O-N 3.29Å; K25-K29 VanDerWaalsContact O-N 3.17Å; S26-K29 PolarHBondContact O-N 3.28Å; L27-K29 PolarHBondContact O-N 3.22Å; K29-S32 WeakPolarHBondContact CA-OG 3.29Å; K29-S32 PolarHBondContact O-OG 3.15Å; K29-L33 WeakPolarHBondContact O-CB 3.26Å; K29-L33 PolarHBondContact O-N 3.48Å |
| 30 | V | 87.3 | Confident | 92.7 | Very high | 62 Ų | 62 | 95.5 Ų | 95.5 | 38% | 0.376 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | S26 L27 L33 R34 | S26-V30 WeakPolarHBondContact O-CG2 3.33Å; S26-V30 PolarHBondContact O-N 3.28Å; L27-V30 PolarHBondContact O-N 3.4Å; V30-L33 PolarHBondContact O-N 3.41Å; V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.5Å |
| 31 | E | 90.2 | Very high | 92.7 | Very high | 104 Ų | 104 | 89.5 Ų | 89.5 | 49% | 0.486 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 176.9 | -72.5 | 179.9 | 158.9 | 0 | 0 | 111.5 | L27 L33 R34 D35 | L27-E31 HydrophobicContact CG-CG 4.49Å; L27-E31 WeakPolarHBondContact O-CG 3.35Å; L27-E31 PolarHBondContact O-N 2.62Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.36Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 2.99Å; E31-R34 VanDerWaalsContact O-N 3.11Å; E31-D35 PolarHBondContact O-N 3.43Å |
| 32 | S | 92 | Very high | 92.8 | Very high | 68 Ų | 68 | 90 Ų | 90 | 48% | 0.476 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | E28 K29 D35 S36 | E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.01Å; E28-S32 PolarHBondContact O-OG 3.22Å; K29-S32 WeakPolarHBondContact CA-OG 3.29Å; K29-S32 PolarHBondContact O-OG 3.15Å; S32-D35 PolarHBondContact O-N 3.29Å; S32-S36 PolarHBondContact O-N 3.45Å |
| 33 | L | 91.6 | Very high | 93 | Very high | 38 Ų | 38 | 87 Ų | 87 | 20% | 0.199 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 172.4 | 179.1 | 63.8 | 0 | 0 | 0 | 111.5 | K29 V30 E31 D35 S36 V37 N91 D96 | K29-L33 WeakPolarHBondContact O-CB 3.26Å; K29-L33 PolarHBondContact O-N 3.48Å; V30-L33 PolarHBondContact O-N 3.41Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.36Å; L33-D35 VanDerWaalsContact C-N 3.31Å; L33-D35 PolarHBondContact O-N 2.88Å; L33-S36 PolarHBondContact O-N 3.31Å; L33-V37 HydrophobicContact CD1-CG2 4.4Å; L33-V37 WeakPolarHBondContact O-CB 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.26Å; L33-V37 PolarHBondContact O-N 3.37Å; L33-N91 WeakPolarHBondContact CD1-O 3.46Å; L33-D96 HydrophobicContact CD2-CB 3.97Å |
| 34 | R | 90.5 | Very high | 93.1 | Very high | 150 Ų | 150 | 80 Ų | 80 | 57% | 0.566 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.6 | -39.6 | 177.7 | -75.6 | -175.1 | 68.5 | -170.9 | 0.3 | 112.1 | V30 E31 V37 A38 I97 | V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.5Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 2.99Å; E31-R34 VanDerWaalsContact O-N 3.11Å; R34-V37 PolarHBondContact O-N 3.18Å; R34-A38 VanDerWaalsContact O-CB 3.32Å; R34-A38 WeakPolarHBondContact O-CB 3.31Å; R34-A38 PolarHBondContact O-N 2.69Å; R34-I97 HydrophobicContact CG-CD1 4.16Å; R34-I97 HydrophobicContact CG-CG1 4.26Å |
| 35 | D | 92.6 | Very high | 93.2 | Very high | 108 Ų | 108 | 78.2 Ų | 78.2 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.1 | -44 | 176.7 | -76 | -16.7 | 0 | 0 | 0 | 111.8 | E31 S32 L33 A38 M39 | E31-D35 PolarHBondContact O-N 3.43Å; S32-D35 PolarHBondContact O-N 3.29Å; L33-D35 VanDerWaalsContact C-N 3.31Å; L33-D35 PolarHBondContact O-N 2.88Å; D35-A38 PolarHBondContact O-N 3.43Å; D35-M39 WeakPolarHBondContact O-CG 3.47Å; D35-M39 PolarHBondContact O-N 3.22Å |
| 36 | S | 93.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 79.7 Ų | 79.7 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 175 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | S32 L33 A38 M39 D40 | S32-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-N 3.31Å; S36-A38 VanDerWaalsContact C-N 3.31Å; S36-A38 PolarHBondContact O-N 3.5Å; S36-M39 WeakPolarHBondContact O-CB 3.44Å; S36-M39 PolarHBondContact O-N 2.89Å; S36-M39 VanDerWaalsContact O-N 3.14Å; S36-D40 PolarHBondContact O-N 2.83Å |
| 37 | V | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 175.5 | 159 | 0 | 0 | 0 | 0 | 111.3 | L33 R34 M39 D40 L41 L88 V92 I97 F100 M103 | L33-V37 HydrophobicContact CD1-CG2 4.4Å; L33-V37 WeakPolarHBondContact O-CB 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.26Å; L33-V37 PolarHBondContact O-N 3.37Å; R34-V37 PolarHBondContact O-N 3.18Å; V37-M39 VanDerWaalsContact C-N 3.26Å; V37-M39 PolarHBondContact O-N 3.19Å; V37-D40 PolarHBondContact O-N 3.18Å; V37-L41 HydrophobicContact CG1-CD1 3.86Å; V37-L41 HydrophobicContact CG1-CG 4.22Å; V37-L41 WeakPolarHBondContact O-CB 3.42Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 2.99Å; V37-L88 HydrophobicContact CG2-CD2 4.44Å; V37-V92 HydrophobicContact CG2-CG2 3.3Å; V37-I97 HydrophobicContact CB-CD1 4.31Å; V37-I97 HydrophobicContact CG1-CD1 4.24Å; V37-I97 HydrophobicContact CG2-CD1 3.94Å; V37-F100 HydrophobicContact CG1-CD2 4.29Å; V37-F100 HydrophobicContact CG1-CE2 3.57Å; V37-F100 HydrophobicContact CG2-CE2 4.25Å; V37-M103 HydrophobicContact CG1-CE 4.33Å |
| 38 | A | 93.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 74.5 Ų | 74.5 | 26% | 0.256 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R34 D35 S36 R42 | R34-A38 VanDerWaalsContact O-CB 3.32Å; R34-A38 WeakPolarHBondContact O-CB 3.31Å; R34-A38 PolarHBondContact O-N 2.69Å; D35-A38 PolarHBondContact O-N 3.43Å; S36-A38 VanDerWaalsContact C-N 3.31Å; S36-A38 PolarHBondContact O-N 3.5Å; A38-R42 WeakPolarHBondContact O-CB 3.36Å; A38-R42 VanDerWaalsContact O-CG 3.31Å; A38-R42 WeakPolarHBondContact O-CG 3.3Å; A38-R42 PolarHBondContact O-N 3.09Å; A38-R42 VanDerWaalsContact O-N 3.11Å; A38-R42 PolarHBondContact O-NH1 3.41Å |
| 39 | M | 95.5 | Very high | 93.9 | Very high | 122 Ų | 122 | 76.2 Ų | 76.2 | 60% | 0.601 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.7 | -46.1 | 172.5 | -71.6 | -178.4 | 65.6 | 0 | 0 | 111.9 | D35 S36 V37 R42 R43 | D35-M39 WeakPolarHBondContact O-CG 3.47Å; D35-M39 PolarHBondContact O-N 3.22Å; S36-M39 WeakPolarHBondContact O-CB 3.44Å; S36-M39 PolarHBondContact O-N 2.89Å; S36-M39 VanDerWaalsContact O-N 3.14Å; V37-M39 VanDerWaalsContact C-N 3.26Å; V37-M39 PolarHBondContact O-N 3.19Å; M39-R42 VanDerWaalsContact CG-NH2 3.26Å; M39-R42 PolarHBondContact O-N 3.24Å; M39-R43 PolarHBondContact O-N 2.9Å |
| 40 | D | 95.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 71.8 Ų | 71.8 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 179.1 | -72.5 | -29.8 | 0 | 0 | 0 | 111.8 | S36 V37 R43 L44 I84 L88 | S36-D40 PolarHBondContact O-N 2.83Å; V37-D40 PolarHBondContact O-N 3.18Å; D40-R43 WeakPolarHBondContact O-CB 3.45Å; D40-R43 PolarHBondContact O-N 3.35Å; D40-R43 VanDerWaalsContact O-N 3.17Å; D40-L44 PolarHBondContact O-N 3.16Å; D40-I84 HydrophobicContact CB-CG2 4.28Å; D40-I84 WeakPolarHBondContact O-CG2 3.31Å; D40-L88 HydrophobicContact CB-CD1 4.47Å; D40-L88 HydrophobicContact CB-CD2 3.5Å; D40-L88 HydrophobicContact CB-CG 3.91Å |
| 41 | L | 95.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 68.8 Ų | 68.8 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.6 | -70.1 | 179.8 | 0 | 0 | 0 | 112.6 | V37 R43 L44 E45 L88 M103 | V37-L41 HydrophobicContact CG1-CD1 3.86Å; V37-L41 HydrophobicContact CG1-CG 4.22Å; V37-L41 WeakPolarHBondContact O-CB 3.42Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 2.99Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.31Å; L41-L44 WeakPolarHBondContact O-CB 3.23Å; L41-L44 PolarHBondContact O-N 2.8Å; L41-E45 WeakPolarHBondContact O-CB 3.35Å; L41-E45 PolarHBondContact O-N 3.41Å; L41-L88 HydrophobicContact CD2-CD1 3.92Å; L41-M103 HydrophobicContact CD1-CB 3.7Å; L41-M103 HydrophobicContact CD1-SD 4.42Å |
| 42 | R | 96.2 | Very high | 94.9 | Very high | 139 Ų | 139 | 65.9 Ų | 65.9 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -34 | 173.7 | -77.7 | -172 | -63.2 | -91.1 | 5.3 | 112.4 | A38 M39 R46 | A38-R42 WeakPolarHBondContact O-CB 3.36Å; A38-R42 VanDerWaalsContact O-CG 3.31Å; A38-R42 WeakPolarHBondContact O-CG 3.3Å; A38-R42 PolarHBondContact O-N 3.09Å; A38-R42 VanDerWaalsContact O-N 3.11Å; A38-R42 PolarHBondContact O-NH1 3.41Å; M39-R42 VanDerWaalsContact CG-NH2 3.26Å; M39-R42 PolarHBondContact O-N 3.24Å; R42-R46 PolarHBondContact O-N 3.3Å |
| 43 | R | 96.3 | Very high | 95 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 174.4 | -166.7 | -175.1 | 165.6 | -169.4 | -3.8 | 110.3 | M39 D40 L41 E45 R46 C47 E80 I84 | M39-R43 PolarHBondContact O-N 2.9Å; D40-R43 WeakPolarHBondContact O-CB 3.45Å; D40-R43 PolarHBondContact O-N 3.35Å; D40-R43 VanDerWaalsContact O-N 3.17Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.31Å; R43-E45 PolarHBondContact O-N 2.86Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.02Å; R43-R46 VanDerWaalsContact O-N 3.13Å; R43-C47 PolarHBondContact O-N 2.84Å; R43-C47 PolarHBondContact O-SG 3.29Å; R43-E80 IonicContact CZ-OE1 2.72Å; R43-E80 VanDerWaalsContact CZ-OE1 3.26Å; R43-E80 IonicContact NE-OE1 3.71Å; R43-E80 PolarHBondContact NE-OE1 3.44Å; R43-E80 IonicContact NH2-OE1 2.6Å; R43-E80 PolarHBondContact NH2-OE1 3.25Å; R43-I84 HydrophobicContact CB-CD1 4.04Å; R43-I84 HydrophobicContact CG-CD1 3.6Å; R43-I84 HydrophobicContact CG-CG1 4.31Å |
| 44 | L | 96.1 | Very high | 95.1 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.1 | -170.3 | 63.6 | 0 | 0 | 0 | 112 | D40 L41 R46 C47 E48 V81 I84 I107 L111 | D40-L44 PolarHBondContact O-N 3.16Å; L41-L44 WeakPolarHBondContact O-CB 3.23Å; L41-L44 PolarHBondContact O-N 2.8Å; L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.09Å; L44-C47 WeakPolarHBondContact O-CB 3.41Å; L44-C47 PolarHBondContact O-N 3.35Å; L44-C47 VanDerWaalsContact O-N 3.15Å; L44-E48 PolarHBondContact O-N 3.23Å; L44-V81 HydrophobicContact CD1-CB 4.43Å; L44-V81 HydrophobicContact CD1-CG1 3.96Å; L44-V81 HydrophobicContact CD1-CG2 4.42Å; L44-I84 HydrophobicContact CB-CG2 4Å; L44-I84 HydrophobicContact CD1-CB 4.37Å; L44-I84 HydrophobicContact CD1-CG2 4.28Å; L44-I107 HydrophobicContact CD2-CG2 4.1Å; L44-I107 HydrophobicContact CG-CG2 3.86Å; L44-L111 HydrophobicContact CD1-CD1 4.01Å; L44-L111 HydrophobicContact CG-CD1 4.37Å |
| 45 | E | 96.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 58 Ų | 58 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -31.8 | 175.9 | -166 | -160.3 | 147.3 | 0 | 0 | 112.4 | L41 R43 R49 I107 | L41-E45 WeakPolarHBondContact O-CB 3.35Å; L41-E45 PolarHBondContact O-N 3.41Å; R43-E45 PolarHBondContact O-N 2.86Å; E45-R49 WeakPolarHBondContact O-CG 3.42Å; E45-R49 PolarHBondContact O-N 3Å; E45-R49 VanDerWaalsContact O-N 3.12Å; E45-R49 PolarHBondContact O-NE 3.19Å; E45-R49 IonicContact OE1-CZ 3.26Å; E45-R49 IonicContact OE1-NE 2.78Å; E45-R49 IonicContact OE1-NH1 3.03Å; E45-R49 PolarHBondContact OE1-NH1 3.11Å; E45-R49 IonicContact OE1-NH2 3.73Å; E45-R49 PolarHBondContact OE1-NH2 3.39Å; E45-R49 IonicContact OE2-NH2 2.85Å; E45-I107 HydrophobicContact CB-CD1 3.89Å; E45-I107 HydrophobicContact CG-CD1 4.26Å |
| 46 | R | 96.9 | Very high | 95.1 | Very high | 173 Ų | 173 | 56.5 Ų | 56.5 | 65% | 0.653 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71.2 | -43 | 174.2 | -172.6 | -177.3 | -59.2 | -172.8 | 0.8 | 111.2 | R42 R43 L44 T50 | R42-R46 PolarHBondContact O-N 3.3Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.02Å; R43-R46 VanDerWaalsContact O-N 3.13Å; L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.09Å; R46-T50 WeakPolarHBondContact O-CB 3.49Å; R46-T50 PolarHBondContact O-N 3.21Å; R46-T50 PolarHBondContact O-OG1 3.09Å |
| 47 | C | 96.2 | Very high | 94.9 | Very high | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 176 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | R43 L44 R49 T50 I51 E80 V81 | R43-C47 PolarHBondContact O-N 2.84Å; R43-C47 PolarHBondContact O-SG 3.29Å; L44-C47 WeakPolarHBondContact O-CB 3.41Å; L44-C47 PolarHBondContact O-N 3.35Å; L44-C47 VanDerWaalsContact O-N 3.15Å; C47-R49 PolarHBondContact O-N 3.24Å; C47-T50 PolarHBondContact O-N 3.43Å; C47-T50 VanDerWaalsContact O-N 3.13Å; C47-I51 WeakPolarHBondContact O-CG1 3.44Å; C47-I51 PolarHBondContact O-N 3.46Å; C47-E80 PolarHBondContact SG-OE2 3.35Å; C47-V81 HydrophobicContact CB-CG2 3.93Å |
| 48 | E | 96.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.2 | -54.8 | 176.7 | 178.8 | -80.5 | 151.5 | 0 | 0 | 111.5 | L44 T50 I51 N52 I107 S110 L111 | L44-E48 PolarHBondContact O-N 3.23Å; E48-T50 PolarHBondContact O-N 2.95Å; E48-T50 VanDerWaalsContact O-N 3.15Å; E48-I51 PolarHBondContact O-N 2.94Å; E48-I51 VanDerWaalsContact O-N 3.13Å; E48-N52 WeakPolarHBondContact O-CB 3.32Å; E48-N52 PolarHBondContact O-N 2.85Å; E48-I107 HydrophobicContact CB-CG2 3.82Å; E48-I107 HydrophobicContact CG-CG2 4.05Å; E48-S110 VanDerWaalsContact OE1-CB 3.25Å; E48-S110 WeakPolarHBondContact OE1-CB 3.49Å; E48-S110 PolarHBondContact OE1-OG 3.38Å; E48-L111 HydrophobicContact CB-CD2 3.89Å; E48-L111 HydrophobicContact CB-CG 4.11Å; E48-L111 HydrophobicContact CG-CD2 4.15Å; E48-L111 HydrophobicContact CG-CG 4.09Å |
| 49 | R | 96.5 | Very high | 94.3 | Very high | 138 Ų | 138 | 56.1 Ų | 56.1 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.3 | -33.8 | 178.2 | -77.8 | -173.5 | -74.6 | -156.8 | -14.3 | 113.6 | E45 C47 G53 | E45-R49 WeakPolarHBondContact O-CG 3.42Å; E45-R49 PolarHBondContact O-N 3Å; E45-R49 VanDerWaalsContact O-N 3.12Å; E45-R49 PolarHBondContact O-NE 3.19Å; E45-R49 IonicContact OE1-CZ 3.26Å; E45-R49 IonicContact OE1-NE 2.78Å; E45-R49 IonicContact OE1-NH1 3.03Å; E45-R49 PolarHBondContact OE1-NH1 3.11Å; E45-R49 IonicContact OE1-NH2 3.73Å; E45-R49 PolarHBondContact OE1-NH2 3.39Å; E45-R49 IonicContact OE2-NH2 2.85Å; C47-R49 PolarHBondContact O-N 3.24Å; R49-G53 PolarHBondContact O-N 3.36Å |
| 50 | T | 96.7 | Very high | 93.8 | Very high | 66 Ų | 66 | 55.2 Ų | 55.2 | 41% | 0.405 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.1 | -41.6 | 179.8 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | R46 C47 E48 K54 M77 | R46-T50 WeakPolarHBondContact O-CB 3.49Å; R46-T50 PolarHBondContact O-N 3.21Å; R46-T50 PolarHBondContact O-OG1 3.09Å; C47-T50 PolarHBondContact O-N 3.43Å; C47-T50 VanDerWaalsContact O-N 3.13Å; E48-T50 PolarHBondContact O-N 2.95Å; E48-T50 VanDerWaalsContact O-N 3.15Å; T50-K54 WeakPolarHBondContact O-CB 3.44Å; T50-K54 PolarHBondContact O-N 3.28Å; T50-M77 HydrophobicContact CG2-CE 3.2Å; T50-M77 HydrophobicContact CG2-SD 4.21Å |
| 51 | I | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -52 | 173.7 | -68.3 | 164.8 | 0 | 0 | 0 | 109.6 | C47 E48 G53 K54 L55 A74 M77 F78 V81 L111 D114 | C47-I51 WeakPolarHBondContact O-CG1 3.44Å; C47-I51 PolarHBondContact O-N 3.46Å; E48-I51 PolarHBondContact O-N 2.94Å; E48-I51 VanDerWaalsContact O-N 3.13Å; I51-G53 PolarHBondContact O-N 3.43Å; I51-K54 WeakPolarHBondContact O-CA 3.4Å; I51-K54 WeakPolarHBondContact O-CB 3.32Å; I51-K54 PolarHBondContact O-N 3.17Å; I51-K54 VanDerWaalsContact O-N 3.08Å; I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 PolarHBondContact O-N 2.99Å; I51-A74 HydrophobicContact CG2-CB 4.38Å; I51-M77 HydrophobicContact CD1-CB 4.11Å; I51-M77 HydrophobicContact CG1-CB 3.63Å; I51-M77 HydrophobicContact CG1-SD 4.33Å; I51-F78 HydrophobicContact CD1-CD1 4.31Å; I51-F78 HydrophobicContact CD1-CD2 4.18Å; I51-F78 HydrophobicContact CD1-CE1 4.22Å; I51-F78 HydrophobicContact CD1-CE2 4.07Å; I51-F78 HydrophobicContact CD1-CG 4.31Å; I51-F78 HydrophobicContact CD1-CZ 4.11Å; I51-F78 HydrophobicContact CG2-CE2 3.8Å; I51-F78 HydrophobicContact CG2-CZ 3.98Å; I51-V81 HydrophobicContact CD1-CG2 3.81Å; I51-L111 HydrophobicContact CD1-CD2 3.9Å; I51-D114 HydrophobicContact CG2-CB 3.8Å; I51-D114 WeakPolarHBondContact CG2-OD2 3.45Å |
| 52 | N | 94.2 | Very high | 92.5 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 179.3 | -173.2 | -90.4 | 0 | 0 | 0 | 111 | E48 K54 L55 Q56 D114 | E48-N52 WeakPolarHBondContact O-CB 3.32Å; E48-N52 PolarHBondContact O-N 2.85Å; N52-K54 PolarHBondContact O-N 3.47Å; N52-L55 PolarHBondContact O-N 2.97Å; N52-Q56 WeakPolarHBondContact O-CG 3.47Å; N52-Q56 PolarHBondContact O-N 3.18Å; N52-D114 PolarHBondContact ND2-OD1 2.88Å |
| 53 | G | 94.2 | Very high | 91.8 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.1 | -34.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R49 I51 | R49-G53 PolarHBondContact O-N 3.36Å; I51-G53 PolarHBondContact O-N 3.43Å |
| 54 | K | 94.2 | Very high | 91.1 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.6 | -44 | 173.6 | -174.2 | 67.9 | -159.9 | -175.2 | 0 | 111.4 | T50 I51 N52 Q56 C57 I70 E73 A74 | T50-K54 WeakPolarHBondContact O-CB 3.44Å; T50-K54 PolarHBondContact O-N 3.28Å; I51-K54 WeakPolarHBondContact O-CA 3.4Å; I51-K54 WeakPolarHBondContact O-CB 3.32Å; I51-K54 PolarHBondContact O-N 3.17Å; I51-K54 VanDerWaalsContact O-N 3.08Å; N52-K54 PolarHBondContact O-N 3.47Å; K54-Q56 VanDerWaalsContact C-N 3.32Å; K54-Q56 PolarHBondContact O-N 3.27Å; K54-C57 WeakPolarHBondContact O-CB 3.2Å; K54-C57 PolarHBondContact O-N 3.33Å; K54-C57 VanDerWaalsContact O-N 3.17Å; K54-I70 HydrophobicContact CG-CG2 4.32Å; K54-I70 WeakPolarHBondContact O-CG2 3.32Å; K54-E73 HydrophobicContact CD-CB 4.4Å; K54-E73 WeakPolarHBondContact CE-OE2 3.39Å; K54-E73 HydrophobicContact CG-CB 4.44Å; K54-E73 IonicContact NZ-OE1 3.83Å; K54-E73 IonicContact NZ-OE2 3.43Å; K54-E73 PolarHBondContact NZ-OE2 3Å; K54-A74 HydrophobicContact CB-CB 4.41Å; K54-A74 HydrophobicContact CG-CB 4.13Å |
| 55 | L | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 178.6 | -68.9 | 172.1 | 0 | 0 | 0 | 112.7 | I51 N52 C57 I58 A74 D114 L117 I118 | I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 PolarHBondContact O-N 2.99Å; N52-L55 PolarHBondContact O-N 2.97Å; L55-C57 PolarHBondContact O-N 3.22Å; L55-C57 VanDerWaalsContact O-N 3.08Å; L55-I58 HydrophobicContact CD2-CD1 4.14Å; L55-I58 VanDerWaalsContact O-CB 3.31Å; L55-I58 WeakPolarHBondContact O-CB 3.19Å; L55-I58 WeakPolarHBondContact O-CD1 3.36Å; L55-I58 WeakPolarHBondContact O-CG1 3.4Å; L55-I58 PolarHBondContact O-N 3.01Å; L55-A74 HydrophobicContact CD2-CB 3.77Å; L55-A74 HydrophobicContact CG-CB 3.94Å; L55-D114 HydrophobicContact CD1-CB 3.55Å; L55-D114 WeakPolarHBondContact CD1-OD1 3.43Å; L55-L117 HydrophobicContact CB-CD2 4.41Å; L55-L117 HydrophobicContact CD1-CD2 4.37Å; L55-I118 HydrophobicContact CD1-CD1 4.23Å; L55-I118 HydrophobicContact CD1-CG1 4.16Å; L55-I118 HydrophobicContact CD2-CD1 4.2Å; L55-I118 HydrophobicContact CD2-CG1 3.65Å |
| 56 | Q | 90.2 | Very high | 90.3 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -60.4 | -19.6 | 173.4 | -67.9 | -54.3 | -43 | 0 | 0 | 113.2 | N52 K54 I58 H59 E163 | N52-Q56 WeakPolarHBondContact O-CG 3.47Å; N52-Q56 PolarHBondContact O-N 3.18Å; K54-Q56 VanDerWaalsContact C-N 3.32Å; K54-Q56 PolarHBondContact O-N 3.27Å; Q56-I58 PolarHBondContact O-N 2.9Å; Q56-I58 VanDerWaalsContact O-N 3.16Å; Q56-H59 PolarHBondContact O-N 3.08Å; Q56-H59 PolarHBondContact OE1-CD2 3.04Å; Q56-H59 VanDerWaalsContact OE1-CD2 3.27Å; Q56-E163 PolarHBondContact NE2-OE1 3.17Å |
| 57 | C | 90.4 | Very high | 89.9 | Confident | 39 Ų | 39 | 55 Ų | 55 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -64.5 | -15.1 | 173.3 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | K54 L55 H59 L60 G63 I70 | K54-C57 WeakPolarHBondContact O-CB 3.2Å; K54-C57 PolarHBondContact O-N 3.33Å; K54-C57 VanDerWaalsContact O-N 3.17Å; L55-C57 PolarHBondContact O-N 3.22Å; L55-C57 VanDerWaalsContact O-N 3.08Å; C57-H59 PolarHBondContact O-N 3.17Å; C57-L60 HydrophobicContact CB-CD1 4.08Å; C57-L60 WeakPolarHBondContact O-CB 3.41Å; C57-L60 PolarHBondContact O-N 3.48Å; C57-G63 VanDerWaalsContact O-CA 3.31Å; C57-G63 WeakPolarHBondContact O-CA 3.48Å; C57-I70 HydrophobicContact CB-CD1 3.84Å; C57-I70 HydrophobicContact CB-CG1 4.27Å; C57-I70 HydrophobicContact CB-CG2 4.48Å |
| 58 | I | 88.2 | Confident | 89.6 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.1 | -28.9 | 175.7 | -65 | 169.3 | 0 | 0 | 0 | 111.2 | L55 Q56 L60 L64 L67 I70 | L55-I58 HydrophobicContact CD2-CD1 4.14Å; L55-I58 VanDerWaalsContact O-CB 3.31Å; L55-I58 WeakPolarHBondContact O-CB 3.19Å; L55-I58 WeakPolarHBondContact O-CD1 3.36Å; L55-I58 WeakPolarHBondContact O-CG1 3.4Å; L55-I58 PolarHBondContact O-N 3.01Å; Q56-I58 PolarHBondContact O-N 2.9Å; Q56-I58 VanDerWaalsContact O-N 3.16Å; I58-L60 VanDerWaalsContact C-N 3.32Å; I58-L64 HydrophobicContact CG2-CD2 4.28Å; I58-L67 HydrophobicContact CB-CD1 4.44Å; I58-L67 HydrophobicContact CD1-CD1 3.58Å; I58-L67 HydrophobicContact CG1-CD1 3.71Å; I58-L67 HydrophobicContact CG2-CD1 3.86Å; I58-I70 HydrophobicContact CD1-CG2 4.32Å; I58-I70 HydrophobicContact CG1-CB 4.42Å; I58-I70 HydrophobicContact CG1-CD1 4.24Å; I58-I70 HydrophobicContact CG1-CG2 3.84Å |
| 59 | H | 84.8 | Confident | 89.5 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -83 | -5.4 | 179.8 | -56.9 | -60 | 0 | 0 | 0 | 114.1 | Q56 C57 E163 Y170 | Q56-H59 PolarHBondContact O-N 3.08Å; Q56-H59 PolarHBondContact OE1-CD2 3.04Å; Q56-H59 VanDerWaalsContact OE1-CD2 3.27Å; C57-H59 PolarHBondContact O-N 3.17Å; H59-E163 IonicContact CD2-OE1 3.25Å; H59-E163 IonicContact CE1-OE1 3.13Å; H59-E163 PolarHBondContact CE1-OE1 2.99Å; H59-E163 IonicContact NE2-OE1 3.84Å; H59-E163 PolarHBondContact NE2-OE1 2.96Å; H59-E163 IonicContact NE2-OE2 2.57Å; H59-Y170 HydrophobicContact CB-CD2 4.41Å; H59-Y170 HydrophobicContact CB-CE2 3.93Å; H59-Y170 AromaticContact CG-CE2 3.99Å; H59-Y170 AromaticContact ND1-CD2 3.57Å; H59-Y170 AromaticContact ND1-CE2 3.45Å; H59-Y170 WeakPolarHBondContact ND1-CE2 3.16Å |
| 60 | L | 85.6 | Confident | 89.3 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -71 | 157.1 | 174 | -61.9 | 176 | 0 | 0 | 0 | 110.2 | C57 I58 D62 G63 | C57-L60 HydrophobicContact CB-CD1 4.08Å; C57-L60 WeakPolarHBondContact O-CB 3.41Å; C57-L60 PolarHBondContact O-N 3.48Å; I58-L60 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.62Å; L60-D62 VanDerWaalsContact O-N 3.09Å; L60-G63 WeakPolarHBondContact O-CA 3.17Å; L60-G63 PolarHBondContact O-N 3.13Å |
| 61 | P | 80.8 | Confident | 89.2 | Confident | 126 Ų | 126 | 55 Ų | 55 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -36.7 | -176.1 | -29.4 | 35.8 | 0 | 0 | 0 | 114.9 | ||
| 62 | D | 82.5 | Confident | 89.1 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.4 | 176 | -74 | -27.8 | 0 | 0 | 0 | 113.9 | L60 L64 N65 K66 | L60-D62 PolarHBondContact O-N 2.62Å; L60-D62 VanDerWaalsContact O-N 3.09Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.03Å; D62-N65 PolarHBondContact O-N 3.18Å; D62-N65 VanDerWaalsContact O-N 3.15Å; D62-K66 PolarHBondContact O-N 3.21Å; D62-K66 VanDerWaalsContact O-N 3.11Å |
| 63 | G | 82.7 | Confident | 89.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -39.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C57 L60 K66 L67 | C57-G63 VanDerWaalsContact O-CA 3.31Å; C57-G63 WeakPolarHBondContact O-CA 3.48Å; L60-G63 WeakPolarHBondContact O-CA 3.17Å; L60-G63 PolarHBondContact O-N 3.13Å; G63-K66 CarbonylContact O-C 3.3Å; G63-K66 VanDerWaalsContact O-C 3.3Å; G63-K66 PolarHBondContact O-N 3.37Å; G63-L67 WeakPolarHBondContact O-CA 3.16Å; G63-L67 PolarHBondContact O-N 2.91Å |
| 64 | L | 81.2 | Confident | 89.2 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -38.1 | 177.3 | -67.3 | 175.2 | 0 | 0 | 0 | 113.1 | I58 D62 K66 L67 R171 | I58-L64 HydrophobicContact CG2-CD2 4.28Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.03Å; L64-K66 PolarHBondContact O-N 3.12Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.15Å; L64-R171 HydrophobicContact CD1-CB 3.66Å; L64-R171 HydrophobicContact CD1-CG 4.19Å |
| 65 | N | 85.3 | Confident | 89.2 | Confident | 140 Ų | 140 | 56.7 Ų | 56.7 | 75% | 0.749 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -29.3 | 175.1 | -69.3 | -33.8 | 0 | 0 | 0 | 111.5 | D62 | D62-N65 PolarHBondContact O-N 3.18Å; D62-N65 VanDerWaalsContact O-N 3.15Å |
| 66 | K | 89.1 | Confident | 89.3 | Confident | 104 Ų | 104 | 60 Ų | 60 | 45% | 0.452 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 11.6 | 178 | -63.2 | 176.6 | -175.3 | 167.6 | 0 | 113.1 | D62 G63 L64 N68 Q69 I70 | D62-K66 PolarHBondContact O-N 3.21Å; D62-K66 VanDerWaalsContact O-N 3.11Å; G63-K66 CarbonylContact O-C 3.3Å; G63-K66 VanDerWaalsContact O-C 3.3Å; G63-K66 PolarHBondContact O-N 3.37Å; L64-K66 PolarHBondContact O-N 3.12Å; K66-N68 VanDerWaalsContact C-N 3.33Å; K66-N68 PolarHBondContact O-N 3.07Å; K66-Q69 WeakPolarHBondContact O-CA 3.31Å; K66-Q69 WeakPolarHBondContact O-CB 3.33Å; K66-Q69 PolarHBondContact O-N 3.15Å; K66-I70 HydrophobicContact CB-CD1 4.02Å; K66-I70 HydrophobicContact CB-CG1 4.27Å; K66-I70 WeakPolarHBondContact O-CG1 3.46Å; K66-I70 PolarHBondContact O-N 3.41Å |
| 67 | L | 89.4 | Confident | 89.6 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.4 | -47.6 | -171.6 | -178.9 | 66.6 | 0 | 0 | 0 | 112.5 | I58 G63 L64 Q69 I70 C71 C121 | I58-L67 HydrophobicContact CB-CD1 4.44Å; I58-L67 HydrophobicContact CD1-CD1 3.58Å; I58-L67 HydrophobicContact CG1-CD1 3.71Å; I58-L67 HydrophobicContact CG2-CD1 3.86Å; G63-L67 WeakPolarHBondContact O-CA 3.16Å; G63-L67 PolarHBondContact O-N 2.91Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.15Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.35Å; L67-I70 PolarHBondContact O-N 3.39Å; L67-C71 VanDerWaalsContact O-CB 3.32Å; L67-C71 WeakPolarHBondContact O-CB 3.31Å; L67-C71 PolarHBondContact O-N 3.28Å; L67-C71 PolarHBondContact O-SG 2.98Å; L67-C121 HydrophobicContact CD1-CB 4.05Å; L67-C121 HydrophobicContact CD2-CB 4.19Å; L67-C121 HydrophobicContact CG-CB 4.32Å |
| 68 | N | 90.1 | Very high | 89.8 | Confident | 121 Ų | 121 | 57.6 Ų | 57.6 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | 179.7 | -72 | -30.6 | 0 | 0 | 0 | 112.2 | K66 G72 | K66-N68 VanDerWaalsContact C-N 3.33Å; K66-N68 PolarHBondContact O-N 3.07Å; N68-G72 PolarHBondContact O-N 3.48Å |
| 69 | Q | 93.5 | Very high | 90.2 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.5 | -48.8 | 176.5 | -179.6 | -175.2 | -2.8 | 0 | 0 | 110.6 | K66 L67 C71 G72 E73 | K66-Q69 WeakPolarHBondContact O-CA 3.31Å; K66-Q69 WeakPolarHBondContact O-CB 3.33Å; K66-Q69 PolarHBondContact O-N 3.15Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.35Å; Q69-C71 PolarHBondContact O-N 3.36Å; Q69-G72 PolarHBondContact O-N 2.88Å; Q69-E73 VanDerWaalsContact CG-OE1 3.25Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.37Å; Q69-E73 PolarHBondContact NE2-OE1 2.92Å; Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 2.89Å |
| 70 | I | 93.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.036 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 179.5 | -67.8 | 164.6 | 0 | 0 | 0 | 110.7 | K54 C57 I58 K66 L67 G72 E73 A74 | K54-I70 HydrophobicContact CG-CG2 4.32Å; K54-I70 WeakPolarHBondContact O-CG2 3.32Å; C57-I70 HydrophobicContact CB-CD1 3.84Å; C57-I70 HydrophobicContact CB-CG1 4.27Å; C57-I70 HydrophobicContact CB-CG2 4.48Å; I58-I70 HydrophobicContact CD1-CG2 4.32Å; I58-I70 HydrophobicContact CG1-CB 4.42Å; I58-I70 HydrophobicContact CG1-CD1 4.24Å; I58-I70 HydrophobicContact CG1-CG2 3.84Å; K66-I70 HydrophobicContact CB-CD1 4.02Å; K66-I70 HydrophobicContact CB-CG1 4.27Å; K66-I70 WeakPolarHBondContact O-CG1 3.46Å; K66-I70 PolarHBondContact O-N 3.41Å; L67-I70 PolarHBondContact O-N 3.39Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.4Å; I70-E73 PolarHBondContact O-N 3.48Å; I70-A74 WeakPolarHBondContact O-CB 3.11Å; I70-A74 PolarHBondContact O-N 2.94Å |
| 71 | C | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.5 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | L67 Q69 E75 I118 K122 | L67-C71 VanDerWaalsContact O-CB 3.32Å; L67-C71 WeakPolarHBondContact O-CB 3.31Å; L67-C71 PolarHBondContact O-N 3.28Å; L67-C71 PolarHBondContact O-SG 2.98Å; Q69-C71 PolarHBondContact O-N 3.36Å; C71-E75 WeakPolarHBondContact O-CB 3.41Å; C71-E75 PolarHBondContact O-N 2.93Å; C71-I118 HydrophobicContact CB-CG2 4.25Å; C71-K122 HydrophobicContact CB-CD 3.98Å; C71-K122 HydrophobicContact CB-CG 4.02Å |
| 72 | G | 94.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 57 Ų | 57 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N68 Q69 I70 S76 | N68-G72 PolarHBondContact O-N 3.48Å; Q69-G72 PolarHBondContact O-N 2.88Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.4Å; G72-S76 PolarHBondContact O-N 2.99Å |
| 73 | E | 94.9 | Very high | 92.4 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 175.2 | -72.5 | 178.7 | -145.5 | 0 | 0 | 111.9 | K54 Q69 I70 E75 S76 M77 | K54-E73 HydrophobicContact CD-CB 4.4Å; K54-E73 WeakPolarHBondContact CE-OE2 3.39Å; K54-E73 HydrophobicContact CG-CB 4.44Å; K54-E73 IonicContact NZ-OE1 3.83Å; K54-E73 IonicContact NZ-OE2 3.43Å; K54-E73 PolarHBondContact NZ-OE2 3Å; Q69-E73 VanDerWaalsContact CG-OE1 3.25Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.37Å; Q69-E73 PolarHBondContact NE2-OE1 2.92Å; Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 2.89Å; I70-E73 PolarHBondContact O-N 3.48Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 2.85Å; E73-S76 PolarHBondContact O-N 3.2Å; E73-S76 PolarHBondContact O-OG 2.93Å; E73-M77 WeakPolarHBondContact O-CG 3.44Å |
| 74 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I51 K54 L55 I70 S76 M77 F78 I118 | I51-A74 HydrophobicContact CG2-CB 4.38Å; K54-A74 HydrophobicContact CB-CB 4.41Å; K54-A74 HydrophobicContact CG-CB 4.13Å; L55-A74 HydrophobicContact CD2-CB 3.77Å; L55-A74 HydrophobicContact CG-CB 3.94Å; I70-A74 WeakPolarHBondContact O-CB 3.11Å; I70-A74 PolarHBondContact O-N 2.94Å; A74-S76 PolarHBondContact O-N 3.46Å; A74-M77 WeakPolarHBondContact O-CB 3.25Å; A74-M77 PolarHBondContact O-N 3.43Å; A74-F78 WeakPolarHBondContact O-CD2 3.49Å; A74-I118 HydrophobicContact CB-CD1 3.85Å |
| 75 | E | 94.8 | Very high | 93.6 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 178.8 | -177.2 | 67.9 | -175.4 | 0 | 0 | 112.4 | C71 E73 M77 F78 K115 | C71-E75 WeakPolarHBondContact O-CB 3.41Å; C71-E75 PolarHBondContact O-N 2.93Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 2.85Å; E75-M77 PolarHBondContact O-N 3.1Å; E75-F78 PolarHBondContact O-N 3.36Å; E75-K115 IonicContact OE1-NZ 2.69Å; E75-K115 PolarHBondContact OE1-NZ 3.33Å; E75-K115 IonicContact OE2-NZ 3.89Å; E75-K115 PolarHBondContact OE2-NZ 3.13Å |
| 76 | S | 94.9 | Very high | 94 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.7 | -24.1 | 179.7 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | G72 E73 A74 F78 D79 | G72-S76 PolarHBondContact O-N 2.99Å; E73-S76 PolarHBondContact O-N 3.2Å; E73-S76 PolarHBondContact O-OG 2.93Å; A74-S76 PolarHBondContact O-N 3.46Å; S76-F78 VanDerWaalsContact C-N 3.26Å; S76-F78 PolarHBondContact O-N 2.99Å; S76-D79 WeakPolarHBondContact O-CB 3.48Å; S76-D79 PolarHBondContact O-N 2.74Å |
| 77 | M | 94.8 | Very high | 94.2 | Very high | 65 Ų | 65 | 52 Ų | 52 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.7 | -19.4 | 178.4 | -60.7 | 178 | 108.2 | 0 | 0 | 112.8 | T50 I51 E73 A74 E75 D79 E80 | T50-M77 HydrophobicContact CG2-CE 3.2Å; T50-M77 HydrophobicContact CG2-SD 4.21Å; I51-M77 HydrophobicContact CD1-CB 4.11Å; I51-M77 HydrophobicContact CG1-CB 3.63Å; I51-M77 HydrophobicContact CG1-SD 4.33Å; E73-M77 WeakPolarHBondContact O-CG 3.44Å; A74-M77 WeakPolarHBondContact O-CB 3.25Å; A74-M77 PolarHBondContact O-N 3.43Å; E75-M77 PolarHBondContact O-N 3.1Å; M77-D79 PolarHBondContact O-N 2.93Å; M77-E80 PolarHBondContact O-N 3.37Å |
| 78 | F | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.7 | -15.7 | 174.4 | -79.3 | -85.1 | 0 | 0 | 0 | 113.2 | I51 A74 E75 S76 E80 V81 R82 L111 D114 K115 I118 L136 | I51-F78 HydrophobicContact CD1-CD1 4.31Å; I51-F78 HydrophobicContact CD1-CD2 4.18Å; I51-F78 HydrophobicContact CD1-CE1 4.22Å; I51-F78 HydrophobicContact CD1-CE2 4.07Å; I51-F78 HydrophobicContact CD1-CG 4.31Å; I51-F78 HydrophobicContact CD1-CZ 4.11Å; I51-F78 HydrophobicContact CG2-CE2 3.8Å; I51-F78 HydrophobicContact CG2-CZ 3.98Å; A74-F78 WeakPolarHBondContact O-CD2 3.49Å; E75-F78 PolarHBondContact O-N 3.36Å; S76-F78 VanDerWaalsContact C-N 3.26Å; S76-F78 PolarHBondContact O-N 2.99Å; F78-E80 VanDerWaalsContact C-N 3.27Å; F78-E80 PolarHBondContact O-N 2.98Å; F78-V81 HydrophobicContact CD1-CB 4.35Å; F78-V81 HydrophobicContact CD1-CG1 4.44Å; F78-V81 HydrophobicContact CD1-CG2 4.32Å; F78-V81 WeakPolarHBondContact O-CB 3.25Å; F78-V81 PolarHBondContact O-N 3.42Å; F78-R82 WeakPolarHBondContact O-CG 3.35Å; F78-R82 PolarHBondContact O-N 2.91Å; F78-R82 PolarHBondContact O-NH1 3.08Å; F78-L111 HydrophobicContact CE1-CB 4.4Å; F78-L111 HydrophobicContact CE1-CD2 3.98Å; F78-D114 HydrophobicContact CZ-CB 4Å; F78-K115 HydrophobicContact CD1-CD 4.2Å; F78-K115 HydrophobicContact CD2-CD 4.25Å; F78-K115 HydrophobicContact CE1-CB 4.28Å; F78-K115 HydrophobicContact CE1-CD 4.02Å; F78-K115 HydrophobicContact CE2-CD 4.08Å; F78-K115 HydrophobicContact CG-CD 4.3Å; F78-K115 HydrophobicContact CZ-CB 4.07Å; F78-K115 HydrophobicContact CZ-CD 3.95Å; F78-I118 HydrophobicContact CD2-CD1 4.39Å; F78-I118 HydrophobicContact CE2-CD1 3.63Å; F78-L136 HydrophobicContact CD1-CD2 3.56Å; F78-L136 HydrophobicContact CE1-CD2 3.43Å; F78-L136 VanDerWaalsContact CE1-CD2 3.43Å |
| 79 | D | 95.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 47 Ų | 47 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.7 | -68.5 | 1.2 | 0 | 0 | 0 | 110.9 | S76 M77 R82 I83 | S76-D79 WeakPolarHBondContact O-CB 3.48Å; S76-D79 PolarHBondContact O-N 2.74Å; M77-D79 PolarHBondContact O-N 2.93Å; D79-R82 PolarHBondContact O-N 3.44Å; D79-R82 IonicContact OD1-CZ 2.78Å; D79-R82 VanDerWaalsContact OD1-CZ 3.25Å; D79-R82 IonicContact OD1-NH1 3.13Å; D79-R82 PolarHBondContact OD1-NH1 2.96Å; D79-R82 VanDerWaalsContact OD1-NH1 3.13Å; D79-R82 IonicContact OD1-NH2 3.12Å; D79-R82 PolarHBondContact OD1-NH2 2.72Å; D79-I83 WeakPolarHBondContact O-CG1 3.31Å; D79-I83 PolarHBondContact O-N 3.09Å |
| 80 | E | 94.8 | Very high | 94.3 | Very high | 78 Ų | 78 | 47.1 Ų | 47.1 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 176 | -171.3 | 172.1 | -162.7 | 0 | 0 | 111.6 | R43 C47 M77 F78 R82 I83 I84 | R43-E80 IonicContact CZ-OE1 2.72Å; R43-E80 VanDerWaalsContact CZ-OE1 3.26Å; R43-E80 IonicContact NE-OE1 3.71Å; R43-E80 PolarHBondContact NE-OE1 3.44Å; R43-E80 IonicContact NH2-OE1 2.6Å; R43-E80 PolarHBondContact NH2-OE1 3.25Å; C47-E80 PolarHBondContact SG-OE2 3.35Å; M77-E80 PolarHBondContact O-N 3.37Å; F78-E80 VanDerWaalsContact C-N 3.27Å; F78-E80 PolarHBondContact O-N 2.98Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 2.6Å; E80-I83 PolarHBondContact O-N 2.78Å; E80-I83 VanDerWaalsContact O-N 3.17Å; E80-I84 HydrophobicContact CG-CD1 3.92Å; E80-I84 HydrophobicContact CG-CG1 4.44Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.24Å |
| 81 | V | 96 | Very high | 94.1 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L44 C47 I51 F78 I83 I84 A85 L111 L136 | L44-V81 HydrophobicContact CD1-CB 4.43Å; L44-V81 HydrophobicContact CD1-CG1 3.96Å; L44-V81 HydrophobicContact CD1-CG2 4.42Å; C47-V81 HydrophobicContact CB-CG2 3.93Å; I51-V81 HydrophobicContact CD1-CG2 3.81Å; F78-V81 HydrophobicContact CD1-CB 4.35Å; F78-V81 HydrophobicContact CD1-CG1 4.44Å; F78-V81 HydrophobicContact CD1-CG2 4.32Å; F78-V81 WeakPolarHBondContact O-CB 3.25Å; F78-V81 PolarHBondContact O-N 3.42Å; V81-I83 VanDerWaalsContact C-N 3.33Å; V81-I83 PolarHBondContact O-N 3.05Å; V81-I84 PolarHBondContact O-N 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 2.57Å; V81-L111 HydrophobicContact CG1-CD1 3.82Å; V81-L111 HydrophobicContact CG1-CD2 4.47Å; V81-L111 HydrophobicContact CG2-CD1 4.49Å; V81-L111 HydrophobicContact CG2-CD2 3.97Å; V81-L136 HydrophobicContact CG1-CD2 4.27Å |
| 82 | R | 95.4 | Very high | 93.8 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 177.7 | -69.2 | -163 | -59.3 | -76.7 | 5.2 | 112.6 | F78 D79 E80 K86 S135 | F78-R82 WeakPolarHBondContact O-CG 3.35Å; F78-R82 PolarHBondContact O-N 2.91Å; F78-R82 PolarHBondContact O-NH1 3.08Å; D79-R82 PolarHBondContact O-N 3.44Å; D79-R82 IonicContact OD1-CZ 2.78Å; D79-R82 VanDerWaalsContact OD1-CZ 3.25Å; D79-R82 IonicContact OD1-NH1 3.13Å; D79-R82 PolarHBondContact OD1-NH1 2.96Å; D79-R82 VanDerWaalsContact OD1-NH1 3.13Å; D79-R82 IonicContact OD1-NH2 3.12Å; D79-R82 PolarHBondContact OD1-NH2 2.72Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 2.6Å; R82-K86 WeakPolarHBondContact O-CB 3.45Å; R82-K86 PolarHBondContact O-N 2.97Å; R82-S135 VanDerWaalsContact CD-O 3.26Å; R82-S135 WeakPolarHBondContact CD-O 3.46Å; R82-S135 VanDerWaalsContact CG-O 3.28Å; R82-S135 WeakPolarHBondContact CG-O 3.4Å |
| 83 | I | 95.6 | Very high | 93.3 | Very high | 96 Ų | 96 | 56.1 Ų | 56.1 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 176.9 | -68.7 | 165.3 | 0 | 0 | 0 | 110 | D79 E80 V81 K86 T87 | D79-I83 WeakPolarHBondContact O-CG1 3.31Å; D79-I83 PolarHBondContact O-N 3.09Å; E80-I83 PolarHBondContact O-N 2.78Å; E80-I83 VanDerWaalsContact O-N 3.17Å; V81-I83 VanDerWaalsContact C-N 3.33Å; V81-I83 PolarHBondContact O-N 3.05Å; I83-K86 PolarHBondContact O-N 2.83Å; I83-T87 PolarHBondContact O-N 3.13Å; I83-T87 PolarHBondContact O-OG1 3.32Å; I83-T87 VanDerWaalsContact O-OG1 3.08Å |
| 84 | I | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | -178.9 | -61.4 | 162.6 | 0 | 0 | 0 | 111.1 | D40 R43 L44 E80 V81 K86 T87 L88 | D40-I84 HydrophobicContact CB-CG2 4.28Å; D40-I84 WeakPolarHBondContact O-CG2 3.31Å; R43-I84 HydrophobicContact CB-CD1 4.04Å; R43-I84 HydrophobicContact CG-CD1 3.6Å; R43-I84 HydrophobicContact CG-CG1 4.31Å; L44-I84 HydrophobicContact CB-CG2 4Å; L44-I84 HydrophobicContact CD1-CB 4.37Å; L44-I84 HydrophobicContact CD1-CG2 4.28Å; E80-I84 HydrophobicContact CG-CD1 3.92Å; E80-I84 HydrophobicContact CG-CG1 4.44Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.24Å; V81-I84 PolarHBondContact O-N 3.25Å; I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 2.87Å; I84-T87 PolarHBondContact O-N 3.27Å; I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 2.96Å |
| 85 | A | 93.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | V81 L88 A89 V138 | V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 2.57Å; A85-L88 PolarHBondContact O-N 2.87Å; A85-A89 WeakPolarHBondContact O-CB 3.18Å; A85-A89 PolarHBondContact O-N 3.21Å; A85-V138 HydrophobicContact CB-CG1 4.01Å |
| 86 | K | 93.3 | Very high | 91.3 | Very high | 131 Ų | 131 | 61.5 Ų | 61.5 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | 174.7 | -176 | 177.4 | 178.2 | -178.9 | 0 | 112.1 | R82 I83 I84 L88 A89 D90 | R82-K86 WeakPolarHBondContact O-CB 3.45Å; R82-K86 PolarHBondContact O-N 2.97Å; I83-K86 PolarHBondContact O-N 2.83Å; I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 2.87Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.37Å; K86-A89 PolarHBondContact O-N 3.45Å; K86-A89 VanDerWaalsContact O-N 3.16Å; K86-D90 WeakPolarHBondContact O-CB 3.47Å; K86-D90 PolarHBondContact O-N 3.37Å |
| 87 | T | 93.5 | Very high | 90.7 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | I83 I84 D90 N91 | I83-T87 PolarHBondContact O-N 3.13Å; I83-T87 PolarHBondContact O-OG1 3.32Å; I83-T87 VanDerWaalsContact O-OG1 3.08Å; I84-T87 PolarHBondContact O-N 3.27Å; T87-D90 PolarHBondContact O-N 3.4Å; T87-N91 WeakPolarHBondContact CG2-ND2 3.5Å; T87-N91 VanDerWaalsContact O-CB 3.27Å; T87-N91 WeakPolarHBondContact O-CB 3.32Å; T87-N91 PolarHBondContact O-N 2.9Å; T87-N91 PolarHBondContact O-ND2 2.57Å |
| 88 | L | 93.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.8 | -73.8 | 168.7 | 0 | 0 | 0 | 111.9 | V37 D40 L41 I84 A85 K86 N91 V92 F100 V146 | V37-L88 HydrophobicContact CG2-CD2 4.44Å; D40-L88 HydrophobicContact CB-CD1 4.47Å; D40-L88 HydrophobicContact CB-CD2 3.5Å; D40-L88 HydrophobicContact CB-CG 3.91Å; L41-L88 HydrophobicContact CD2-CD1 3.92Å; I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 2.96Å; A85-L88 PolarHBondContact O-N 2.87Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.37Å; L88-N91 PolarHBondContact O-N 2.8Å; L88-V92 WeakPolarHBondContact O-CB 3.4Å; L88-V92 WeakPolarHBondContact O-CG2 3.06Å; L88-V92 PolarHBondContact O-N 2.85Å; L88-F100 HydrophobicContact CD2-CZ 4.37Å; L88-V146 HydrophobicContact CB-CG2 3.79Å |
| 89 | A | 91 | Very high | 89.5 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | A85 K86 V146 | A85-A89 WeakPolarHBondContact O-CB 3.18Å; A85-A89 PolarHBondContact O-N 3.21Å; K86-A89 PolarHBondContact O-N 3.45Å; K86-A89 VanDerWaalsContact O-N 3.16Å; A89-V146 HydrophobicContact CB-CB 4.08Å; A89-V146 HydrophobicContact CB-CG2 4.1Å |
| 90 | D | 90.6 | Very high | 89.2 | Confident | 114 Ų | 114 | 64 Ų | 64 | 61% | 0.61 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.4 | -33.7 | 178.7 | -70.6 | -21 | 0 | 0 | 0 | 111.9 | K86 T87 | K86-D90 WeakPolarHBondContact O-CB 3.47Å; K86-D90 PolarHBondContact O-N 3.37Å; T87-D90 PolarHBondContact O-N 3.4Å |
| 91 | N | 89.2 | Confident | 89 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -86.1 | -31.4 | -175.8 | -72.4 | -20.1 | 0 | 0 | 0 | 113.9 | L33 T87 L88 | L33-N91 WeakPolarHBondContact CD1-O 3.46Å; T87-N91 WeakPolarHBondContact CG2-ND2 3.5Å; T87-N91 VanDerWaalsContact O-CB 3.27Å; T87-N91 WeakPolarHBondContact O-CB 3.32Å; T87-N91 PolarHBondContact O-N 2.9Å; T87-N91 PolarHBondContact O-ND2 2.57Å; L88-N91 PolarHBondContact O-N 2.8Å |
| 92 | V | 88.2 | Confident | 88.7 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | trans | -108.3 | 120.7 | -173.1 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | V37 L88 D96 F100 S145 | V37-V92 HydrophobicContact CG2-CG2 3.3Å; L88-V92 WeakPolarHBondContact O-CB 3.4Å; L88-V92 WeakPolarHBondContact O-CG2 3.06Å; L88-V92 PolarHBondContact O-N 2.85Å; V92-D96 HydrophobicContact CG1-CB 4.4Å; V92-F100 HydrophobicContact CB-CE1 4.41Å; V92-F100 HydrophobicContact CB-CZ 4.27Å; V92-F100 HydrophobicContact CG1-CD1 4.15Å; V92-F100 HydrophobicContact CG1-CD2 4.22Å; V92-F100 HydrophobicContact CG1-CE1 4.12Å; V92-F100 HydrophobicContact CG1-CE2 4.24Å; V92-F100 HydrophobicContact CG1-CG 4.23Å; V92-F100 HydrophobicContact CG1-CZ 4.2Å; V92-F100 HydrophobicContact CG2-CE2 4Å; V92-F100 HydrophobicContact CG2-CZ 3.93Å; V92-S145 WeakPolarHBondContact O-CB 3.32Å; V92-S145 PolarHBondContact O-OG 3.01Å | ||
| 93 | K | 84.2 | Confident | 88.5 | Confident | 154 Ų | 154 | 67.2 Ų | 67.2 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | trans | -87 | 155.2 | 170.2 | -56.7 | -178.9 | 178.5 | -175.8 | 0 | 110.7 | G95 D96 | K93-G95 PolarHBondContact O-N 3.26Å; K93-G95 VanDerWaalsContact O-N 3.16Å; K93-D96 WeakPolarHBondContact CA-OD2 3.37Å; K93-D96 VanDerWaalsContact CB-OD2 3.26Å; K93-D96 WeakPolarHBondContact CB-OD2 3.47Å; K93-D96 PolarHBondContact N-OD2 3.29Å; K93-D96 WeakPolarHBondContact O-CB 3.36Å; K93-D96 PolarHBondContact O-N 3.45Å; K93-D96 VanDerWaalsContact O-N 3.1Å | ||
| 94 | L | 80.8 | Confident | 88.4 | Confident | 111 Ų | 111 | 63 Ų | 63 | 58% | 0.581 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 121.2 | 174.8 | -170.6 | 72.2 | 0 | 0 | 0 | 109.6 | ||
| 95 | G | 81.2 | Confident | 88.3 | Confident | 69 Ų | 69 | 66 Ų | 66 | 71% | 0.711 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | -7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K93 I97 | K93-G95 PolarHBondContact O-N 3.26Å; K93-G95 VanDerWaalsContact O-N 3.16Å; G95-I97 VanDerWaalsContact C-N 3.3Å; G95-I97 PolarHBondContact O-N 3.35Å |
| 96 | D | 82.1 | Confident | 88.3 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -64.1 | -36.7 | 178.2 | -76.5 | -12.4 | 0 | 0 | 0 | 112.1 | L33 V92 K93 | L33-D96 HydrophobicContact CD2-CB 3.97Å; V92-D96 HydrophobicContact CG1-CB 4.4Å; K93-D96 WeakPolarHBondContact CA-OD2 3.37Å; K93-D96 VanDerWaalsContact CB-OD2 3.26Å; K93-D96 WeakPolarHBondContact CB-OD2 3.47Å; K93-D96 PolarHBondContact N-OD2 3.29Å; K93-D96 WeakPolarHBondContact O-CB 3.36Å; K93-D96 PolarHBondContact O-N 3.45Å; K93-D96 VanDerWaalsContact O-N 3.1Å |
| 97 | I | 81.9 | Confident | 88.4 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -127 | 118.7 | -179.9 | -59.9 | 168.5 | 0 | 0 | 0 | 108.9 | R34 V37 G95 E99 F100 M103 | R34-I97 HydrophobicContact CG-CD1 4.16Å; R34-I97 HydrophobicContact CG-CG1 4.26Å; V37-I97 HydrophobicContact CB-CD1 4.31Å; V37-I97 HydrophobicContact CG1-CD1 4.24Å; V37-I97 HydrophobicContact CG2-CD1 3.94Å; G95-I97 VanDerWaalsContact C-N 3.3Å; G95-I97 PolarHBondContact O-N 3.35Å; I97-E99 PolarHBondContact O-N 2.93Å; I97-F100 HydrophobicContact CB-CB 4.12Å; I97-F100 HydrophobicContact CB-CD2 4.26Å; I97-F100 HydrophobicContact CD1-CD2 4.02Å; I97-F100 HydrophobicContact CD1-CE2 4.45Å; I97-F100 HydrophobicContact CG2-CB 4.33Å; I97-F100 HydrophobicContact CG2-CD2 4.46Å; I97-F100 WeakPolarHBondContact O-CB 3.35Å; I97-F100 PolarHBondContact O-N 3.02Å; I97-M103 HydrophobicContact CD1-CE 4.46Å; I97-M103 HydrophobicContact CG2-CE 3.6Å |
| 98 | P | 80.7 | Confident | 88.4 | Confident | 115 Ų | 115 | 62.9 Ų | 62.9 | 75% | 0.747 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 135.7 | 172.8 | -23.1 | 33.4 | 0 | 0 | 0 | 110.8 | F100 | P98-F100 PolarHBondContact O-N 3.16Š|
| 99 | E | 84.8 | Confident | 88.5 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 59% | 0.593 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 28.3 | 177.7 | -47.7 | -166.1 | 150.6 | 0 | 0 | 114.6 | I97 H101 K102 | I97-E99 PolarHBondContact O-N 2.93Å; E99-H101 PolarHBondContact O-N 3.42Å; E99-H101 VanDerWaalsContact O-N 3.11Å; E99-K102 HydrophobicContact CB-CB 4.49Å; E99-K102 HydrophobicContact CB-CD 4.08Å; E99-K102 HydrophobicContact CB-CG 4.23Å; E99-K102 WeakPolarHBondContact O-CB 3.26Å; E99-K102 PolarHBondContact O-N 3.05Å; E99-K102 IonicContact OE1-NZ 3.78Å; E99-K102 PolarHBondContact OE1-NZ 3.46Å; E99-K102 WeakPolarHBondContact OE2-CD 3.28Å; E99-K102 WeakPolarHBondContact OE2-CE 3.46Å; E99-K102 IonicContact OE2-NZ 3.65Å; E99-K102 PolarHBondContact OE2-NZ 3.27Å |
| 100 | F | 89.2 | Confident | 88.7 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 6% | 0.057 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -49.8 | -39.6 | 179.2 | 179.7 | -111.1 | 0 | 0 | 0 | 113.5 | V37 L88 V92 I97 P98 K102 M103 Y104 V146 | V37-F100 HydrophobicContact CG1-CD2 4.29Å; V37-F100 HydrophobicContact CG1-CE2 3.57Å; V37-F100 HydrophobicContact CG2-CE2 4.25Å; L88-F100 HydrophobicContact CD2-CZ 4.37Å; V92-F100 HydrophobicContact CB-CE1 4.41Å; V92-F100 HydrophobicContact CB-CZ 4.27Å; V92-F100 HydrophobicContact CG1-CD1 4.15Å; V92-F100 HydrophobicContact CG1-CD2 4.22Å; V92-F100 HydrophobicContact CG1-CE1 4.12Å; V92-F100 HydrophobicContact CG1-CE2 4.24Å; V92-F100 HydrophobicContact CG1-CG 4.23Å; V92-F100 HydrophobicContact CG1-CZ 4.2Å; V92-F100 HydrophobicContact CG2-CE2 4Å; V92-F100 HydrophobicContact CG2-CZ 3.93Å; I97-F100 HydrophobicContact CB-CB 4.12Å; I97-F100 HydrophobicContact CB-CD2 4.26Å; I97-F100 HydrophobicContact CD1-CD2 4.02Å; I97-F100 HydrophobicContact CD1-CE2 4.45Å; I97-F100 HydrophobicContact CG2-CB 4.33Å; I97-F100 HydrophobicContact CG2-CD2 4.46Å; I97-F100 WeakPolarHBondContact O-CB 3.35Å; I97-F100 PolarHBondContact O-N 3.02Å; P98-F100 PolarHBondContact O-N 3.16Å; F100-K102 VanDerWaalsContact C-N 3.33Å; F100-K102 PolarHBondContact O-N 3Å; F100-M103 HydrophobicContact CB-CE 4.24Å; F100-M103 HydrophobicContact CD2-CE 3.29Å; F100-M103 HydrophobicContact CE2-CE 4Å; F100-M103 HydrophobicContact CG-CE 4.15Å; F100-M103 WeakPolarHBondContact O-CB 3.27Å; F100-M103 PolarHBondContact O-N 3.42Å; F100-M103 VanDerWaalsContact O-N 3.13Å; F100-Y104 HydrophobicContact CD1-CD1 4.3Å; F100-Y104 AromaticContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CE1-CD1 4.03Å; F100-Y104 AromaticContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CE1-CE1 3.46Å; F100-Y104 VanDerWaalsContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CG-CE1 4.33Å; F100-Y104 HydrophobicContact CZ-CD1 4.23Å; F100-Y104 HydrophobicContact CZ-CE1 4.11Å; F100-Y104 VanDerWaalsContact O-CD1 3.32Å; F100-Y104 WeakPolarHBondContact O-CD1 3.43Å; F100-Y104 WeakPolarHBondContact O-CE1 3.14Å; F100-V146 HydrophobicContact CE1-CG2 3.8Å; F100-V146 HydrophobicContact CZ-CG2 4.31Å |
| 101 | H | 89.4 | Confident | 88.9 | Confident | 39 Ų | 39 | 59 Ų | 59 | 18% | 0.181 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -55.8 | -42.2 | 177 | -172.5 | 72.6 | 0 | 0 | 0 | 113.6 | E99 M103 Y104 E105 D152 | E99-H101 PolarHBondContact O-N 3.42Å; E99-H101 VanDerWaalsContact O-N 3.11Å; H101-M103 PolarHBondContact O-N 3.13Å; H101-M103 VanDerWaalsContact O-N 3.1Å; H101-Y104 VanDerWaalsContact CA-CE1 3.46Å; H101-Y104 HydrophobicContact CB-CE1 4.46Å; H101-Y104 AromaticContact ND1-CE2 3.57Å; H101-Y104 AromaticContact ND1-CZ 3.43Å; H101-Y104 PolarHBondContact ND1-OH 3.06Å; H101-Y104 VanDerWaalsContact ND1-OH 3.09Å; H101-Y104 PolarHBondContact O-N 3.22Å; H101-Y104 VanDerWaalsContact O-N 3.09Å; H101-E105 IonicContact CD2-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.22Å; H101-D152 IonicContact CE1-OD2 3.42Å; H101-D152 PolarHBondContact CE1-OD2 2.9Å; H101-D152 IonicContact NE2-OD1 2.81Å; H101-D152 IonicContact NE2-OD2 2.61Å; H101-D152 PolarHBondContact NE2-OD2 3.05Å; H101-D152 VanDerWaalsContact NE2-OD2 3.13Å |
| 102 | K | 89.8 | Confident | 89.2 | Confident | 116 Ų | 116 | 55.6 Ų | 55.6 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -62.9 | -22.4 | -179.4 | -64 | -170.6 | -170.6 | 166.7 | 0 | 113.2 | E99 F100 Y104 | E99-K102 HydrophobicContact CB-CB 4.49Å; E99-K102 HydrophobicContact CB-CD 4.08Å; E99-K102 HydrophobicContact CB-CG 4.23Å; E99-K102 WeakPolarHBondContact O-CB 3.26Å; E99-K102 PolarHBondContact O-N 3.05Å; E99-K102 IonicContact OE1-NZ 3.78Å; E99-K102 PolarHBondContact OE1-NZ 3.46Å; E99-K102 WeakPolarHBondContact OE2-CD 3.28Å; E99-K102 WeakPolarHBondContact OE2-CE 3.46Å; E99-K102 IonicContact OE2-NZ 3.65Å; E99-K102 PolarHBondContact OE2-NZ 3.27Å; F100-K102 VanDerWaalsContact C-N 3.33Å; F100-K102 PolarHBondContact O-N 3Å; K102-Y104 VanDerWaalsContact C-N 3.3Å; K102-Y104 PolarHBondContact O-N 3.34Å |
| 103 | M | 91.8 | Very high | 89.6 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -74.5 | -21.3 | 179.9 | -61.8 | -166.7 | -78.3 | 0 | 0 | 113.1 | V37 L41 I97 F100 H101 | V37-M103 HydrophobicContact CG1-CE 4.33Å; L41-M103 HydrophobicContact CD1-CB 3.7Å; L41-M103 HydrophobicContact CD1-SD 4.42Å; I97-M103 HydrophobicContact CD1-CE 4.46Å; I97-M103 HydrophobicContact CG2-CE 3.6Å; F100-M103 HydrophobicContact CB-CE 4.24Å; F100-M103 HydrophobicContact CD2-CE 3.29Å; F100-M103 HydrophobicContact CE2-CE 4Å; F100-M103 HydrophobicContact CG-CE 4.15Å; F100-M103 WeakPolarHBondContact O-CB 3.27Å; F100-M103 PolarHBondContact O-N 3.42Å; F100-M103 VanDerWaalsContact O-N 3.13Å; H101-M103 PolarHBondContact O-N 3.13Å; H101-M103 VanDerWaalsContact O-N 3.1Å |
| 104 | Y | 92.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -8.6 | -177.5 | 66.7 | -99.7 | 0 | 0 | 0 | 114.6 | F100 H101 K102 S106 I107 L108 S145 H147 | F100-Y104 HydrophobicContact CD1-CD1 4.3Å; F100-Y104 AromaticContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CE1-CD1 4.03Å; F100-Y104 AromaticContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CE1-CE1 3.46Å; F100-Y104 VanDerWaalsContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CG-CE1 4.33Å; F100-Y104 HydrophobicContact CZ-CD1 4.23Å; F100-Y104 HydrophobicContact CZ-CE1 4.11Å; F100-Y104 VanDerWaalsContact O-CD1 3.32Å; F100-Y104 WeakPolarHBondContact O-CD1 3.43Å; F100-Y104 WeakPolarHBondContact O-CE1 3.14Å; H101-Y104 VanDerWaalsContact CA-CE1 3.46Å; H101-Y104 HydrophobicContact CB-CE1 4.46Å; H101-Y104 AromaticContact ND1-CE2 3.57Å; H101-Y104 AromaticContact ND1-CZ 3.43Å; H101-Y104 PolarHBondContact ND1-OH 3.06Å; H101-Y104 VanDerWaalsContact ND1-OH 3.09Å; H101-Y104 PolarHBondContact O-N 3.22Å; H101-Y104 VanDerWaalsContact O-N 3.09Å; K102-Y104 VanDerWaalsContact C-N 3.3Å; K102-Y104 PolarHBondContact O-N 3.34Å; Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 3.37Å; Y104-I107 PolarHBondContact O-N 2.81Å; Y104-L108 HydrophobicContact CD2-CB 4.26Å; Y104-L108 HydrophobicContact CD2-CD2 4.16Å; Y104-L108 HydrophobicContact CE2-CD2 3.95Å; Y104-L108 WeakPolarHBondContact O-CB 3.35Å; Y104-L108 PolarHBondContact O-N 2.61Å; Y104-S145 PolarHBondContact OH-O 3.44Å; Y104-S145 VanDerWaalsContact OH-O 3.07Å; Y104-H147 PolarHBondContact OH-N 3.4Å; Y104-H147 PolarHBondContact OH-O 3.26Å |
| 105 | E | 93.3 | Very high | 90.7 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52.2 | -45.2 | -177.3 | 67.5 | -175 | -161.8 | 0 | 0 | 112.6 | H101 I107 L108 Q109 | H101-E105 IonicContact CD2-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.22Å; E105-I107 PolarHBondContact O-N 2.78Å; E105-L108 PolarHBondContact O-N 2.65Å; E105-Q109 WeakPolarHBondContact O-CB 3.41Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.1Å |
| 106 | S | 93.4 | Very high | 91.3 | Very high | 87 Ų | 87 | 41 Ų | 41 | 61% | 0.608 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -65.9 | -37.2 | 180 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | Y104 S110 | Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 3.37Å; S106-S110 PolarHBondContact O-N 3.42Å |
| 107 | I | 95.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 38 Ų | 38 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70 | -42.4 | 178 | -57.1 | 169.2 | 0 | 0 | 0 | 108.9 | L44 E45 E48 Y104 E105 S110 L111 | L44-I107 HydrophobicContact CD2-CG2 4.1Å; L44-I107 HydrophobicContact CG-CG2 3.86Å; E45-I107 HydrophobicContact CB-CD1 3.89Å; E45-I107 HydrophobicContact CG-CD1 4.26Å; E48-I107 HydrophobicContact CB-CG2 3.82Å; E48-I107 HydrophobicContact CG-CG2 4.05Å; Y104-I107 PolarHBondContact O-N 2.81Å; E105-I107 PolarHBondContact O-N 2.78Å; I107-S110 PolarHBondContact O-N 3.5Å; I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 WeakPolarHBondContact O-CG 3.44Å; I107-L111 PolarHBondContact O-N 3.12Å |
| 108 | L | 94 | Very high | 92.3 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.7 | -171.8 | 61.6 | 0 | 0 | 0 | 111.3 | Y104 E105 S110 L111 I112 L136 V138 L148 | Y104-L108 HydrophobicContact CD2-CB 4.26Å; Y104-L108 HydrophobicContact CD2-CD2 4.16Å; Y104-L108 HydrophobicContact CE2-CD2 3.95Å; Y104-L108 WeakPolarHBondContact O-CB 3.35Å; Y104-L108 PolarHBondContact O-N 2.61Å; E105-L108 PolarHBondContact O-N 2.65Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.78Å; L108-L111 PolarHBondContact O-N 3.5Å; L108-I112 HydrophobicContact CG-CD1 4.25Å; L108-I112 WeakPolarHBondContact O-CD1 3.43Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.13Å; L108-L136 HydrophobicContact CD1-CD1 3.71Å; L108-V138 HydrophobicContact CD1-CG1 4.44Å; L108-L148 HydrophobicContact CD1-CD1 4.46Å; L108-L148 HydrophobicContact CD2-CB 4.45Å; L108-L148 HydrophobicContact CD2-CD1 3.57Å; L108-L148 HydrophobicContact CG-CD1 3.9Å |
| 109 | Q | 95 | Very high | 92.9 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 175.5 | -71.5 | 162.7 | 19.6 | 0 | 0 | 112.1 | E105 I112 F113 D152 L155 G156 | E105-Q109 WeakPolarHBondContact O-CB 3.41Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.1Å; Q109-I112 PolarHBondContact O-N 3.06Å; Q109-F113 PolarHBondContact O-N 2.97Å; Q109-F113 VanDerWaalsContact O-N 3.07Å; Q109-D152 HydrophobicContact CG-CB 4.07Å; Q109-D152 PolarHBondContact NE2-OD1 3.13Å; Q109-L155 HydrophobicContact CG-CB 4Å; Q109-G156 VanDerWaalsContact O-CA 3.23Å; Q109-G156 WeakPolarHBondContact O-CA 3.4Å |
| 110 | S | 95 | Very high | 93.2 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 20% | 0.196 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 175.7 | -164.7 | 0 | 0 | 0 | 0 | 112.4 | E48 S106 I107 L108 I112 F113 D114 | E48-S110 VanDerWaalsContact OE1-CB 3.25Å; E48-S110 WeakPolarHBondContact OE1-CB 3.49Å; E48-S110 PolarHBondContact OE1-OG 3.38Å; S106-S110 PolarHBondContact O-N 3.42Å; I107-S110 PolarHBondContact O-N 3.5Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.78Å; S110-I112 VanDerWaalsContact C-N 3.3Å; S110-I112 PolarHBondContact O-N 3.15Å; S110-F113 VanDerWaalsContact O-CB 3.31Å; S110-F113 WeakPolarHBondContact O-CB 3.42Å; S110-F113 PolarHBondContact O-N 3.09Å; S110-F113 VanDerWaalsContact O-N 3.15Å; S110-D114 PolarHBondContact O-N 3.48Å |
| 111 | L | 96 | Very high | 93.1 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -35.3 | 176 | -70.9 | 169.2 | 0 | 0 | 0 | 112.7 | L44 E48 I51 F78 V81 I107 L108 K115 L136 | L44-L111 HydrophobicContact CD1-CD1 4.01Å; L44-L111 HydrophobicContact CG-CD1 4.37Å; E48-L111 HydrophobicContact CB-CD2 3.89Å; E48-L111 HydrophobicContact CB-CG 4.11Å; E48-L111 HydrophobicContact CG-CD2 4.15Å; E48-L111 HydrophobicContact CG-CG 4.09Å; I51-L111 HydrophobicContact CD1-CD2 3.9Å; F78-L111 HydrophobicContact CE1-CB 4.4Å; F78-L111 HydrophobicContact CE1-CD2 3.98Å; V81-L111 HydrophobicContact CG1-CD1 3.82Å; V81-L111 HydrophobicContact CG1-CD2 4.47Å; V81-L111 HydrophobicContact CG2-CD1 4.49Å; V81-L111 HydrophobicContact CG2-CD2 3.97Å; I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 WeakPolarHBondContact O-CG 3.44Å; I107-L111 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 3.5Å; L111-K115 VanDerWaalsContact O-CB 3.32Å; L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 2.92Å; L111-L136 HydrophobicContact CB-CD1 4.33Å; L111-L136 HydrophobicContact CB-CD2 4.03Å |
| 112 | I | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 173.4 | -66.5 | 163 | 0 | 0 | 0 | 110.4 | L108 Q109 S110 K115 C116 V132 L136 L148 D152 Y153 | L108-I112 HydrophobicContact CG-CD1 4.25Å; L108-I112 WeakPolarHBondContact O-CD1 3.43Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.13Å; Q109-I112 PolarHBondContact O-N 3.06Å; S110-I112 VanDerWaalsContact C-N 3.3Å; S110-I112 PolarHBondContact O-N 3.15Å; I112-K115 PolarHBondContact O-N 3.36Å; I112-C116 WeakPolarHBondContact O-CB 3.35Å; I112-C116 PolarHBondContact O-N 3.17Å; I112-C116 PolarHBondContact O-SG 3.07Å; I112-V132 HydrophobicContact CB-CG1 4.27Å; I112-V132 HydrophobicContact CG1-CG1 3.78Å; I112-V132 HydrophobicContact CG2-CG1 4.16Å; I112-L136 HydrophobicContact CG1-CD1 3.88Å; I112-L148 HydrophobicContact CD1-CD1 3.36Å; I112-L148 HydrophobicContact CG1-CD1 4.27Å; I112-D152 HydrophobicContact CD1-CB 4.14Å; I112-D152 WeakPolarHBondContact CD1-O 3.41Å; I112-Y153 HydrophobicContact CG2-CD2 4.05Å |
| 113 | F | 94.7 | Very high | 92.9 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 9% | 0.088 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.9 | -53.7 | 175.4 | 168.4 | -97.3 | 0 | 0 | 0 | 110.6 | Q109 S110 K115 C116 L117 G156 L159 L160 E163 | Q109-F113 PolarHBondContact O-N 2.97Å; Q109-F113 VanDerWaalsContact O-N 3.07Å; S110-F113 VanDerWaalsContact O-CB 3.31Å; S110-F113 WeakPolarHBondContact O-CB 3.42Å; S110-F113 PolarHBondContact O-N 3.09Å; S110-F113 VanDerWaalsContact O-N 3.15Å; F113-K115 VanDerWaalsContact C-N 3.32Å; F113-K115 PolarHBondContact O-N 3.11Å; F113-C116 PolarHBondContact O-N 2.9Å; F113-L117 HydrophobicContact CE1-CD2 4.08Å; F113-L117 HydrophobicContact CZ-CD2 4.14Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 3.29Å; F113-G156 VanDerWaalsContact CB-O 3.3Å; F113-G156 WeakPolarHBondContact CB-O 3.39Å; F113-L159 HydrophobicContact CD2-CB 4.25Å; F113-L159 HydrophobicContact CE2-CB 4.09Å; F113-L160 HydrophobicContact CD2-CB 4.37Å; F113-L160 HydrophobicContact CD2-CD1 4.49Å; F113-L160 HydrophobicContact CE2-CB 4.45Å; F113-L160 HydrophobicContact CE2-CD1 4.34Å; F113-E163 HydrophobicContact CE2-CB 4.06Å; F113-E163 HydrophobicContact CZ-CB 3.86Å; F113-E163 HydrophobicContact CZ-CG 3.83Å |
| 114 | D | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | -179 | -73.7 | -19.2 | 0 | 0 | 0 | 111.4 | I51 N52 L55 F78 S110 L117 I118 | I51-D114 HydrophobicContact CG2-CB 3.8Å; I51-D114 WeakPolarHBondContact CG2-OD2 3.45Å; N52-D114 PolarHBondContact ND2-OD1 2.88Å; L55-D114 HydrophobicContact CD1-CB 3.55Å; L55-D114 WeakPolarHBondContact CD1-OD1 3.43Å; F78-D114 HydrophobicContact CZ-CB 4Å; S110-D114 PolarHBondContact O-N 3.48Å; D114-L117 PolarHBondContact O-N 2.88Å; D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.43Å |
| 115 | K | 94.5 | Very high | 92.6 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 179.6 | -165.6 | 75.1 | -166.5 | 179.6 | 0 | 112.2 | E75 F78 L111 I112 F113 I118 A119 L127 | E75-K115 IonicContact OE1-NZ 2.69Å; E75-K115 PolarHBondContact OE1-NZ 3.33Å; E75-K115 IonicContact OE2-NZ 3.89Å; E75-K115 PolarHBondContact OE2-NZ 3.13Å; F78-K115 HydrophobicContact CD1-CD 4.2Å; F78-K115 HydrophobicContact CD2-CD 4.25Å; F78-K115 HydrophobicContact CE1-CB 4.28Å; F78-K115 HydrophobicContact CE1-CD 4.02Å; F78-K115 HydrophobicContact CE2-CD 4.08Å; F78-K115 HydrophobicContact CG-CD 4.3Å; F78-K115 HydrophobicContact CZ-CB 4.07Å; F78-K115 HydrophobicContact CZ-CD 3.95Å; L111-K115 VanDerWaalsContact O-CB 3.32Å; L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 2.92Å; I112-K115 PolarHBondContact O-N 3.36Å; F113-K115 VanDerWaalsContact C-N 3.32Å; F113-K115 PolarHBondContact O-N 3.11Å; K115-I118 PolarHBondContact O-N 3.15Å; K115-A119 PolarHBondContact O-N 3.03Å; K115-A119 VanDerWaalsContact O-N 3.09Å; K115-L127 HydrophobicContact CB-CD1 4.47Å; K115-L127 HydrophobicContact CG-CD1 3.57Å |
| 116 | C | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.2 | -36.1 | 178.2 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | I112 F113 A119 F120 L126 L157 L160 | I112-C116 WeakPolarHBondContact O-CB 3.35Å; I112-C116 PolarHBondContact O-N 3.17Å; I112-C116 PolarHBondContact O-SG 3.07Å; F113-C116 PolarHBondContact O-N 2.9Å; C116-A119 PolarHBondContact O-N 2.68Å; C116-F120 WeakPolarHBondContact O-CB 3.34Å; C116-F120 PolarHBondContact O-N 3.41Å; C116-L126 HydrophobicContact CB-CD1 4.16Å; C116-L157 HydrophobicContact CB-CD2 3.71Å; C116-L157 VanDerWaalsContact SG-CD2 3.54Å; C116-L160 HydrophobicContact CB-CD2 3.98Å |
| 117 | L | 92.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 174.1 | -177.9 | 60.9 | 0 | 0 | 0 | 111.2 | L55 F113 D114 A119 F120 C121 L160 E163 L164 | L55-L117 HydrophobicContact CB-CD2 4.41Å; L55-L117 HydrophobicContact CD1-CD2 4.37Å; F113-L117 HydrophobicContact CE1-CD2 4.08Å; F113-L117 HydrophobicContact CZ-CD2 4.14Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 3.29Å; D114-L117 PolarHBondContact O-N 2.88Å; L117-A119 PolarHBondContact O-N 3.27Å; L117-F120 PolarHBondContact O-N 2.98Å; L117-C121 VanDerWaalsContact O-CB 3.32Å; L117-C121 WeakPolarHBondContact O-CB 3.34Å; L117-C121 PolarHBondContact O-N 3.23Å; L117-C121 PolarHBondContact O-SG 2.98Å; L117-L160 HydrophobicContact CB-CD1 3.97Å; L117-L160 HydrophobicContact CD1-CD1 4.06Å; L117-E163 HydrophobicContact CD1-CG 4.14Å; L117-E163 HydrophobicContact CD2-CG 4.07Å; L117-L164 HydrophobicContact CD1-CD2 4.04Å |
| 118 | I | 92.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 175.7 | -71 | 165.1 | 0 | 0 | 0 | 111.1 | L55 C71 A74 F78 D114 K115 F120 C121 K122 | L55-I118 HydrophobicContact CD1-CD1 4.23Å; L55-I118 HydrophobicContact CD1-CG1 4.16Å; L55-I118 HydrophobicContact CD2-CD1 4.2Å; L55-I118 HydrophobicContact CD2-CG1 3.65Å; C71-I118 HydrophobicContact CB-CG2 4.25Å; A74-I118 HydrophobicContact CB-CD1 3.85Å; F78-I118 HydrophobicContact CD2-CD1 4.39Å; F78-I118 HydrophobicContact CE2-CD1 3.63Å; D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.43Å; K115-I118 PolarHBondContact O-N 3.15Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.32Å; I118-C121 PolarHBondContact O-N 3.22Å; I118-K122 HydrophobicContact CG2-CD 3.86Å; I118-K122 WeakPolarHBondContact O-CG 3.44Å; I118-K122 PolarHBondContact O-N 3.45Å |
| 119 | A | 92.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K115 C116 L117 K122 E123 R124 K125 L127 | K115-A119 PolarHBondContact O-N 3.03Å; K115-A119 VanDerWaalsContact O-N 3.09Å; C116-A119 PolarHBondContact O-N 2.68Å; L117-A119 PolarHBondContact O-N 3.27Å; A119-K122 PolarHBondContact O-N 3.02Å; A119-E123 WeakPolarHBondContact O-CA 3.33Å; A119-E123 WeakPolarHBondContact O-CB 3.42Å; A119-E123 PolarHBondContact O-N 3.17Å; A119-R124 PolarHBondContact O-N 3.17Å; A119-K125 CarbonylContact C-O 3.54Å; A119-L127 HydrophobicContact CB-CD1 3.8Å; A119-L127 HydrophobicContact CB-CD2 3.61Å; A119-L127 HydrophobicContact CB-CG 3.46Å; A119-L127 VanDerWaalsContact CB-CG 3.46Å |
| 120 | F | 90.7 | Very high | 92.2 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 26% | 0.263 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.8 | -39.2 | 177.2 | -167.1 | -84.6 | 0 | 0 | 0 | 112 | C116 L117 I118 R124 K125 L164 | C116-F120 WeakPolarHBondContact O-CB 3.34Å; C116-F120 PolarHBondContact O-N 3.41Å; L117-F120 PolarHBondContact O-N 2.98Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.32Å; F120-R124 VanDerWaalsContact O-CA 3.25Å; F120-R124 WeakPolarHBondContact O-CA 3.44Å; F120-R124 WeakPolarHBondContact O-CD 3.46Å; F120-R124 PolarHBondContact O-N 3.43Å; F120-R124 PolarHBondContact O-NH1 3Å; F120-K125 WeakPolarHBondContact CA-O 3.33Å; F120-K125 PolarHBondContact N-O 3.45Å; F120-L164 HydrophobicContact CB-CD2 4.38Å; F120-L164 HydrophobicContact CD1-CD1 3.69Å; F120-L164 HydrophobicContact CD1-CD2 3.15Å; F120-L164 HydrophobicContact CD1-CG 4.03Å; F120-L164 HydrophobicContact CD2-CD1 3.99Å; F120-L164 HydrophobicContact CE1-CD1 3.56Å; F120-L164 HydrophobicContact CE1-CD2 3.49Å; F120-L164 VanDerWaalsContact CE1-CD2 3.49Å; F120-L164 HydrophobicContact CE1-CG 4.06Å; F120-L164 HydrophobicContact CE2-CD1 3.87Å; F120-L164 HydrophobicContact CG-CD1 3.89Å; F120-L164 HydrophobicContact CG-CD2 3.87Å; F120-L164 HydrophobicContact CZ-CD1 3.65Å; F120-L164 HydrophobicContact CZ-CD2 4.44Å |
| 121 | C | 87.8 | Confident | 92.2 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 177.3 | -77.1 | 0 | 0 | 0 | 0 | 112.7 | L67 L117 I118 | L67-C121 HydrophobicContact CD1-CB 4.05Å; L67-C121 HydrophobicContact CD2-CB 4.19Å; L67-C121 HydrophobicContact CG-CB 4.32Å; L117-C121 VanDerWaalsContact O-CB 3.32Å; L117-C121 WeakPolarHBondContact O-CB 3.34Å; L117-C121 PolarHBondContact O-N 3.23Å; L117-C121 PolarHBondContact O-SG 2.98Å; I118-C121 PolarHBondContact O-N 3.22Å |
| 122 | K | 87 | Confident | 92.1 | Very high | 99 Ų | 99 | 47.1 Ų | 47.1 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -83.4 | -43.5 | -177.5 | -68.3 | 176.3 | 68 | -178 | 0 | 113.4 | C71 I118 A119 | C71-K122 HydrophobicContact CB-CD 3.98Å; C71-K122 HydrophobicContact CB-CG 4.02Å; I118-K122 HydrophobicContact CG2-CD 3.86Å; I118-K122 WeakPolarHBondContact O-CG 3.44Å; I118-K122 PolarHBondContact O-N 3.45Å; A119-K122 PolarHBondContact O-N 3.02Å |
| 123 | E | 88.2 | Confident | 92 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 52% | 0.523 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -119.7 | -7.3 | -166.6 | -60.2 | -179.2 | -158.9 | 0 | 0 | 114 | A119 K125 | A119-E123 WeakPolarHBondContact O-CA 3.33Å; A119-E123 WeakPolarHBondContact O-CB 3.42Å; A119-E123 PolarHBondContact O-N 3.17Å; E123-K125 HydrophobicContact CB-CB 4.37Å; E123-K125 HydrophobicContact CB-CD 4.38Å; E123-K125 HydrophobicContact CB-CG 4.37Å; E123-K125 PolarHBondContact O-N 3.37Å |
| 124 | R | 86.8 | Confident | 91.9 | Very high | 135 Ų | 135 | 50.5 Ų | 50.5 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 56.8 | 34.3 | -173 | -52.9 | -66 | 172.6 | -156.2 | -1.4 | 112.6 | A119 F120 | A119-R124 PolarHBondContact O-N 3.17Å; F120-R124 VanDerWaalsContact O-CA 3.25Å; F120-R124 WeakPolarHBondContact O-CA 3.44Å; F120-R124 WeakPolarHBondContact O-CD 3.46Å; F120-R124 PolarHBondContact O-N 3.43Å; F120-R124 PolarHBondContact O-NH1 3Å |
| 125 | K | 90.1 | Very high | 91.8 | Very high | 128 Ų | 128 | 51.9 Ų | 51.9 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | trans | -124 | 149.6 | 179.1 | -68.9 | 177.4 | -174.5 | 172.8 | 0 | 111 | A119 F120 E123 | A119-K125 CarbonylContact C-O 3.54Å; F120-K125 WeakPolarHBondContact CA-O 3.33Å; F120-K125 PolarHBondContact N-O 3.45Å; E123-K125 HydrophobicContact CB-CB 4.37Å; E123-K125 HydrophobicContact CB-CD 4.38Å; E123-K125 HydrophobicContact CB-CG 4.37Å; E123-K125 PolarHBondContact O-N 3.37Å | ||
| 126 | L | 91.3 | Very high | 91.8 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 129.7 | 167.9 | -171.7 | 64 | 0 | 0 | 0 | 108.6 | C116 L157 L160 | C116-L126 HydrophobicContact CB-CD1 4.16Å; L126-L157 HydrophobicContact CD1-CD1 4.23Å; L126-L157 HydrophobicContact CD1-CD2 3.64Å; L126-L157 HydrophobicContact CD2-CD1 4.07Å; L126-L157 HydrophobicContact CG-CD1 4.49Å; L126-L160 HydrophobicContact CD1-CD2 3.59Å |
| 127 | L | 92.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -72 | 139.9 | 176.9 | -61.4 | 179.2 | 0 | 0 | 0 | 110.1 | K115 A119 V131 V132 Y153 | K115-L127 HydrophobicContact CB-CD1 4.47Å; K115-L127 HydrophobicContact CG-CD1 3.57Å; A119-L127 HydrophobicContact CB-CD1 3.8Å; A119-L127 HydrophobicContact CB-CD2 3.61Å; A119-L127 HydrophobicContact CB-CG 3.46Å; A119-L127 VanDerWaalsContact CB-CG 3.46Å; L127-V131 HydrophobicContact CB-CG1 4.41Å; L127-V131 HydrophobicContact CD2-CG1 3.92Å; L127-V132 HydrophobicContact CB-CG2 3.48Å; L127-V132 VanDerWaalsContact CB-CG2 3.48Å; L127-V132 HydrophobicContact CD1-CG2 4.02Å; L127-V132 HydrophobicContact CG-CG2 4.41Å; L127-Y153 PolarHBondContact O-OH 3.35Å |
| 128 | T | 93.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 53.9 Ų | 53.9 | 44% | 0.436 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 162.4 | 173.7 | 75 | 0 | 0 | 0 | 0 | 110.8 | E130 V131 V132 | T128-E130 VanDerWaalsContact C-N 3.28Å; T128-E130 WeakPolarHBondContact CB-OE2 3.48Å; T128-E130 PolarHBondContact O-N 3.39Å; T128-E130 PolarHBondContact OG1-OE2 3.17Å; T128-V131 PolarHBondContact O-N 3.2Å; T128-V131 VanDerWaalsContact O-N 3.17Å; T128-V131 WeakPolarHBondContact OG1-CG2 3.47Å; T128-V132 WeakPolarHBondContact O-CG2 3.45Å; T128-V132 PolarHBondContact O-N 3.33Å |
| 129 | F | 93 | Very high | 91.6 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -50 | -46.9 | 178.4 | 178.8 | -113.3 | 0 | 0 | 0 | 113.1 | V132 A133 T140 L148 T149 L150 Y153 | F129-V132 PolarHBondContact O-N 3.36Å; F129-A133 WeakPolarHBondContact O-CB 3.39Å; F129-A133 PolarHBondContact O-N 3.44Å; F129-T140 HydrophobicContact CD1-CG2 3.88Å; F129-T140 HydrophobicContact CE1-CG2 3.37Å; F129-T140 HydrophobicContact CZ-CG2 3.93Å; F129-L148 HydrophobicContact CD2-CD2 3.83Å; F129-L148 HydrophobicContact CD2-CG 4.37Å; F129-L148 HydrophobicContact CE2-CB 4.43Å; F129-L148 HydrophobicContact CE2-CD2 3.53Å; F129-L148 HydrophobicContact CE2-CG 3.59Å; F129-L148 HydrophobicContact CZ-CD2 4.22Å; F129-L148 HydrophobicContact CZ-CG 4.14Å; F129-L148 WeakPolarHBondContact CZ-O 3.48Å; F129-T149 WeakPolarHBondContact CE2-O 3.41Å; F129-L150 HydrophobicContact CD2-CD1 4.47Å; F129-Y153 HydrophobicContact CD2-CD1 4.26Å; F129-Y153 HydrophobicContact CD2-CD2 4.14Å; F129-Y153 AromaticContact CD2-CG 3.75Å; F129-Y153 HydrophobicContact CD2-CG 3.75Å |
| 130 | E | 93.3 | Very high | 91.5 | Very high | 109 Ų | 109 | 58.2 Ų | 58.2 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.1 | -36.1 | -177.2 | -55.3 | 73.6 | -159.5 | 0 | 0 | 112 | T128 S134 | T128-E130 VanDerWaalsContact C-N 3.28Å; T128-E130 WeakPolarHBondContact CB-OE2 3.48Å; T128-E130 PolarHBondContact O-N 3.39Å; T128-E130 PolarHBondContact OG1-OE2 3.17Å; E130-S134 WeakPolarHBondContact O-CB 3.38Å; E130-S134 PolarHBondContact O-N 2.88Å; E130-S134 PolarHBondContact O-OG 3.11Å |
| 131 | V | 93.5 | Very high | 91.4 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 39% | 0.394 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | L127 T128 S135 | L127-V131 HydrophobicContact CB-CG1 4.41Å; L127-V131 HydrophobicContact CD2-CG1 3.92Å; T128-V131 PolarHBondContact O-N 3.2Å; T128-V131 VanDerWaalsContact O-N 3.17Å; T128-V131 WeakPolarHBondContact OG1-CG2 3.47Å; V131-S135 VanDerWaalsContact O-CB 3.31Å; V131-S135 WeakPolarHBondContact O-CB 3.39Å; V131-S135 PolarHBondContact O-N 3.3Å; V131-S135 PolarHBondContact O-OG 3.39Å |
| 132 | V | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -47.8 | 175 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | I112 L127 T128 F129 S134 S135 L136 Y153 | I112-V132 HydrophobicContact CB-CG1 4.27Å; I112-V132 HydrophobicContact CG1-CG1 3.78Å; I112-V132 HydrophobicContact CG2-CG1 4.16Å; L127-V132 HydrophobicContact CB-CG2 3.48Å; L127-V132 VanDerWaalsContact CB-CG2 3.48Å; L127-V132 HydrophobicContact CD1-CG2 4.02Å; L127-V132 HydrophobicContact CG-CG2 4.41Å; T128-V132 WeakPolarHBondContact O-CG2 3.45Å; T128-V132 PolarHBondContact O-N 3.33Å; F129-V132 PolarHBondContact O-N 3.36Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.17Å; V132-S135 WeakPolarHBondContact O-CB 3.44Å; V132-S135 PolarHBondContact O-N 3.07Å; V132-S135 VanDerWaalsContact O-N 3.1Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.27Å; V132-L136 WeakPolarHBondContact O-CG 3.18Å; V132-L136 PolarHBondContact O-N 2.87Å; V132-Y153 HydrophobicContact CB-CD2 4.49Å; V132-Y153 HydrophobicContact CB-CE2 4.49Å; V132-Y153 HydrophobicContact CG2-CD2 4.38Å; V132-Y153 HydrophobicContact CG2-CE2 3.96Å |
| 133 | A | 93.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F129 S135 L136 G137 V138 T140 L148 | F129-A133 WeakPolarHBondContact O-CB 3.39Å; F129-A133 PolarHBondContact O-N 3.44Å; A133-S135 VanDerWaalsContact C-N 3.31Å; A133-S135 PolarHBondContact O-N 3.42Å; A133-L136 PolarHBondContact O-N 3.1Å; A133-G137 PolarHBondContact O-N 3.16Å; A133-V138 CarbonylContact C-O 3.53Å; A133-V138 HydrophobicContact CB-CG2 4.12Å; A133-V138 PolarHBondContact O-N 3.38Å; A133-T140 HydrophobicContact CB-CG2 3.48Å; A133-T140 VanDerWaalsContact CB-CG2 3.48Å; A133-L148 HydrophobicContact CB-CD2 3.91Å |
| 134 | S | 93.1 | Very high | 91 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 63% | 0.629 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.4 | -38.9 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | E130 V132 G137 | E130-S134 WeakPolarHBondContact O-CB 3.38Å; E130-S134 PolarHBondContact O-N 2.88Å; E130-S134 PolarHBondContact O-OG 3.11Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.17Å; S134-G137 PolarHBondContact O-N 3.19Å |
| 135 | S | 92.5 | Very high | 90.8 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.7 | -32 | 180 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | R82 V131 V132 A133 | R82-S135 VanDerWaalsContact CD-O 3.26Å; R82-S135 WeakPolarHBondContact CD-O 3.46Å; R82-S135 VanDerWaalsContact CG-O 3.28Å; R82-S135 WeakPolarHBondContact CG-O 3.4Å; V131-S135 VanDerWaalsContact O-CB 3.31Å; V131-S135 WeakPolarHBondContact O-CB 3.39Å; V131-S135 PolarHBondContact O-N 3.3Å; V131-S135 PolarHBondContact O-OG 3.39Å; V132-S135 WeakPolarHBondContact O-CB 3.44Å; V132-S135 PolarHBondContact O-N 3.07Å; V132-S135 VanDerWaalsContact O-N 3.1Å; A133-S135 VanDerWaalsContact C-N 3.31Å; A133-S135 PolarHBondContact O-N 3.42Å |
| 136 | L | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -87.2 | -11.5 | 177.4 | -60.9 | -179.7 | 0 | 0 | 0 | 112.5 | F78 V81 L108 L111 I112 V132 A133 V138 | F78-L136 HydrophobicContact CD1-CD2 3.56Å; F78-L136 HydrophobicContact CE1-CD2 3.43Å; F78-L136 VanDerWaalsContact CE1-CD2 3.43Å; V81-L136 HydrophobicContact CG1-CD2 4.27Å; L108-L136 HydrophobicContact CD1-CD1 3.71Å; L111-L136 HydrophobicContact CB-CD1 4.33Å; L111-L136 HydrophobicContact CB-CD2 4.03Å; I112-L136 HydrophobicContact CG1-CD1 3.88Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.27Å; V132-L136 WeakPolarHBondContact O-CG 3.18Å; V132-L136 PolarHBondContact O-N 2.87Å; A133-L136 PolarHBondContact O-N 3.1Å; L136-V138 HydrophobicContact CB-CG1 4.42Å; L136-V138 HydrophobicContact CB-CG2 4.13Å |
| 137 | G | 92 | Very high | 90.7 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 27.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A133 S134 | A133-G137 PolarHBondContact O-N 3.16Å; S134-G137 PolarHBondContact O-N 3.19Å |
| 138 | V | 91.9 | Very high | 90.7 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | trans | -111.4 | 151.9 | -180 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | A85 L108 A133 L136 V146 L148 | A85-V138 HydrophobicContact CB-CG1 4.01Å; L108-V138 HydrophobicContact CD1-CG1 4.44Å; A133-V138 CarbonylContact C-O 3.53Å; A133-V138 HydrophobicContact CB-CG2 4.12Å; A133-V138 PolarHBondContact O-N 3.38Å; L136-V138 HydrophobicContact CB-CG1 4.42Å; L136-V138 HydrophobicContact CB-CG2 4.13Å; V138-V146 HydrophobicContact CB-CG1 4.33Å; V138-V146 HydrophobicContact CG1-CG1 3.79Å; V138-L148 HydrophobicContact CG2-CB 3.8Å | ||
| 139 | S | 91 | Very high | 90.6 | Very high | 41 Ų | 41 | 42 Ų | 42 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -79.8 | 152.8 | 176.4 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | D141 H147 L148 | S139-D141 WeakPolarHBondContact OG-CB 3.27Å; S139-D141 PolarHBondContact OG-N 2.89Å; S139-H147 CarbonylContact O-C 3.46Å; S139-H147 WeakPolarHBondContact O-CA 3.31Å; S139-H147 WeakPolarHBondContact O-CB 3.48Å; S139-L148 PolarHBondContact O-N 2.95Å |
| 140 | T | 90.7 | Very high | 90.6 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -92.5 | -4 | 165.2 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | F129 A133 | F129-T140 HydrophobicContact CD1-CG2 3.88Å; F129-T140 HydrophobicContact CE1-CG2 3.37Å; F129-T140 HydrophobicContact CZ-CG2 3.93Å; A133-T140 HydrophobicContact CB-CG2 3.48Å; A133-T140 VanDerWaalsContact CB-CG2 3.48Å |
| 141 | D | 88.8 | Confident | 90.6 | Very high | 75 Ų | 75 | 46.4 Ų | 46.4 | 40% | 0.401 | 27% | 0.272 | S | S | . | . | trans | -87.1 | 123.7 | -179.3 | -172.3 | 1.7 | 0 | 0 | 0 | 111.6 | S139 T143 V144 H147 | S139-D141 WeakPolarHBondContact OG-CB 3.27Å; S139-D141 PolarHBondContact OG-N 2.89Å; D141-T143 PolarHBondContact O-N 2.82Å; D141-T143 VanDerWaalsContact O-N 3.16Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.49Å; D141-T143 PolarHBondContact OD1-N 3.43Å; D141-T143 PolarHBondContact OD1-OG1 2.89Å; D141-T143 PolarHBondContact OD2-OG1 3.16Å; D141-V144 PolarHBondContact O-N 2.78Å; D141-H147 VanDerWaalsContact O-CB 3.27Å; D141-H147 WeakPolarHBondContact O-CB 3.38Å | ||
| 142 | H | 85.5 | Confident | 90.6 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.546 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10.3 | 176.7 | -58.4 | -64.3 | 0 | 0 | 0 | 113.8 | V144 H147 | H142-V144 PolarHBondContact O-N 2.85Å; H142-H147 AromaticContact ND1-CD2 3.37Å; H142-H147 PolarHBondContact ND1-CD2 2.63Å; H142-H147 AromaticContact ND1-NE2 3.32Å; H142-H147 PolarHBondContact ND1-NE2 3.08Å |
| 143 | T | 84.4 | Confident | 90.5 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 56% | 0.564 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.1 | 174.2 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | D141 | D141-T143 PolarHBondContact O-N 2.82Å; D141-T143 VanDerWaalsContact O-N 3.16Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.49Å; D141-T143 PolarHBondContact OD1-N 3.43Å; D141-T143 PolarHBondContact OD1-OG1 2.89Å; D141-T143 PolarHBondContact OD2-OG1 3.16Å |
| 144 | V | 85 | Confident | 90.5 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -103.2 | 146.3 | -179.4 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | D141 H142 H147 | D141-V144 PolarHBondContact O-N 2.78Å; H142-V144 PolarHBondContact O-N 2.85Å; V144-H147 PolarHBondContact O-ND1 3.01Å |
| 145 | S | 83.1 | Confident | 90.5 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -61.1 | -44.6 | 178.9 | 54 | 0 | 0 | 0 | 0 | 113 | V92 Y104 | V92-S145 WeakPolarHBondContact O-CB 3.32Å; V92-S145 PolarHBondContact O-OG 3.01Å; Y104-S145 PolarHBondContact OH-O 3.44Å; Y104-S145 VanDerWaalsContact OH-O 3.07Å |
| 146 | V | 87.8 | Confident | 90.5 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -99.7 | 98.6 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | L88 A89 F100 V138 | L88-V146 HydrophobicContact CB-CG2 3.79Å; A89-V146 HydrophobicContact CB-CB 4.08Å; A89-V146 HydrophobicContact CB-CG2 4.1Å; F100-V146 HydrophobicContact CE1-CG2 3.8Å; F100-V146 HydrophobicContact CZ-CG2 4.31Å; V138-V146 HydrophobicContact CB-CG1 4.33Å; V138-V146 HydrophobicContact CG1-CG1 3.79Å |
| 147 | H | 91.2 | Very high | 90.4 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 11% | 0.111 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -135.5 | 153.8 | 176.4 | 66.6 | -91.2 | 0 | 0 | 0 | 111.3 | Y104 S139 D141 H142 V144 | Y104-H147 PolarHBondContact OH-N 3.4Å; Y104-H147 PolarHBondContact OH-O 3.26Å; S139-H147 CarbonylContact O-C 3.46Å; S139-H147 WeakPolarHBondContact O-CA 3.31Å; S139-H147 WeakPolarHBondContact O-CB 3.48Å; D141-H147 VanDerWaalsContact O-CB 3.27Å; D141-H147 WeakPolarHBondContact O-CB 3.38Å; H142-H147 AromaticContact ND1-CD2 3.37Å; H142-H147 PolarHBondContact ND1-CD2 2.63Å; H142-H147 AromaticContact ND1-NE2 3.32Å; H142-H147 PolarHBondContact ND1-NE2 3.08Å; V144-H147 PolarHBondContact O-ND1 3.01Å |
| 148 | L | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -92.6 | 126.3 | 172.6 | 178.6 | 67.3 | 0 | 0 | 0 | 108.9 | L108 I112 F129 A133 V138 S139 D152 | L108-L148 HydrophobicContact CD1-CD1 4.46Å; L108-L148 HydrophobicContact CD2-CB 4.45Å; L108-L148 HydrophobicContact CD2-CD1 3.57Å; L108-L148 HydrophobicContact CG-CD1 3.9Å; I112-L148 HydrophobicContact CD1-CD1 3.36Å; I112-L148 HydrophobicContact CG1-CD1 4.27Å; F129-L148 HydrophobicContact CD2-CD2 3.83Å; F129-L148 HydrophobicContact CD2-CG 4.37Å; F129-L148 HydrophobicContact CE2-CB 4.43Å; F129-L148 HydrophobicContact CE2-CD2 3.53Å; F129-L148 HydrophobicContact CE2-CG 3.59Å; F129-L148 HydrophobicContact CZ-CD2 4.22Å; F129-L148 HydrophobicContact CZ-CG 4.14Å; F129-L148 WeakPolarHBondContact CZ-O 3.48Å; A133-L148 HydrophobicContact CB-CD2 3.91Å; V138-L148 HydrophobicContact CG2-CB 3.8Å; S139-L148 PolarHBondContact O-N 2.95Å; L148-D152 HydrophobicContact CD1-CB 3.71Å | ||
| 149 | T | 92.8 | Very high | 89.9 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 14% | 0.135 | 31% | 0.307 | C | S | . | . | trans | -92.1 | 155.5 | 171.6 | 74.8 | 0 | 0 | 0 | 0 | 110.8 | F129 Q151 D152 Y153 | F129-T149 WeakPolarHBondContact CE2-O 3.41Å; T149-Q151 PolarHBondContact O-N 3.35Å; T149-Q151 PolarHBondContact OG1-N 3.4Å; T149-D152 WeakPolarHBondContact CB-OD2 3.46Å; T149-D152 PolarHBondContact N-OD2 3.14Å; T149-D152 VanDerWaalsContact N-OD2 3.12Å; T149-D152 PolarHBondContact O-N 3.36Å; T149-D152 PolarHBondContact OG1-N 3.5Å; T149-D152 VanDerWaalsContact OG1-N 3.15Å; T149-D152 PolarHBondContact OG1-OD2 3Å; T149-Y153 PolarHBondContact O-N 3.11Å | ||
| 150 | L | 92.8 | Very high | 89.8 | Confident | 103 Ų | 103 | 55.9 Ų | 55.9 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58 | -33.4 | 172.8 | -179.5 | 61.4 | 0 | 0 | 0 | 111.6 | F129 Y153 L154 | F129-L150 HydrophobicContact CD2-CD1 4.47Å; L150-Y153 HydrophobicContact CD1-CD1 4.26Å; L150-Y153 PolarHBondContact O-N 2.94Å; L150-L154 HydrophobicContact CD1-CD1 4.46Å; L150-L154 HydrophobicContact CD1-CG 4.32Å; L150-L154 HydrophobicContact CG-CD1 4.14Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CG 3.26Å; L150-L154 PolarHBondContact O-N 2.91Å |
| 151 | Q | 93 | Very high | 89.5 | Confident | 133 Ų | 133 | 56.9 Ų | 56.9 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 177 | -179.1 | 176.6 | -40 | 0 | 0 | 111.4 | T149 Y153 L154 L155 | T149-Q151 PolarHBondContact O-N 3.35Å; T149-Q151 PolarHBondContact OG1-N 3.4Å; Q151-Y153 VanDerWaalsContact C-N 3.31Å; Q151-Y153 PolarHBondContact O-N 2.89Å; Q151-L154 PolarHBondContact O-N 3.26Å; Q151-L155 HydrophobicContact CG-CD1 3.83Å; Q151-L155 HydrophobicContact CG-CG 4.36Å; Q151-L155 WeakPolarHBondContact O-CB 3.39Å; Q151-L155 VanDerWaalsContact O-CG 3.3Å; Q151-L155 WeakPolarHBondContact O-CG 3.42Å; Q151-L155 PolarHBondContact O-N 3.21Å |
| 152 | D | 93.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 177.2 | -59.6 | -50.2 | 0 | 0 | 0 | 111.9 | H101 Q109 I112 L148 T149 L155 G156 | H101-D152 IonicContact CE1-OD2 3.42Å; H101-D152 PolarHBondContact CE1-OD2 2.9Å; H101-D152 IonicContact NE2-OD1 2.81Å; H101-D152 IonicContact NE2-OD2 2.61Å; H101-D152 PolarHBondContact NE2-OD2 3.05Å; H101-D152 VanDerWaalsContact NE2-OD2 3.13Å; Q109-D152 HydrophobicContact CG-CB 4.07Å; Q109-D152 PolarHBondContact NE2-OD1 3.13Å; I112-D152 HydrophobicContact CD1-CB 4.14Å; I112-D152 WeakPolarHBondContact CD1-O 3.41Å; L148-D152 HydrophobicContact CD1-CB 3.71Å; T149-D152 WeakPolarHBondContact CB-OD2 3.46Å; T149-D152 PolarHBondContact N-OD2 3.14Å; T149-D152 VanDerWaalsContact N-OD2 3.12Å; T149-D152 PolarHBondContact O-N 3.36Å; T149-D152 PolarHBondContact OG1-N 3.5Å; T149-D152 VanDerWaalsContact OG1-N 3.15Å; T149-D152 PolarHBondContact OG1-OD2 3Å; D152-L155 PolarHBondContact O-N 3.37Å; D152-G156 PolarHBondContact O-N 3.47Å |
| 153 | Y | 93.3 | Very high | 89 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 176.7 | 174 | -98.8 | 0 | 0 | 0 | 112 | I112 L127 F129 V132 T149 L150 Q151 G156 L157 | I112-Y153 HydrophobicContact CG2-CD2 4.05Å; L127-Y153 PolarHBondContact O-OH 3.35Å; F129-Y153 HydrophobicContact CD2-CD1 4.26Å; F129-Y153 HydrophobicContact CD2-CD2 4.14Å; F129-Y153 AromaticContact CD2-CG 3.75Å; F129-Y153 HydrophobicContact CD2-CG 3.75Å; V132-Y153 HydrophobicContact CB-CD2 4.49Å; V132-Y153 HydrophobicContact CB-CE2 4.49Å; V132-Y153 HydrophobicContact CG2-CD2 4.38Å; V132-Y153 HydrophobicContact CG2-CE2 3.96Å; T149-Y153 PolarHBondContact O-N 3.11Å; L150-Y153 HydrophobicContact CD1-CD1 4.26Å; L150-Y153 PolarHBondContact O-N 2.94Å; Q151-Y153 VanDerWaalsContact C-N 3.31Å; Q151-Y153 PolarHBondContact O-N 2.89Å; Y153-G156 PolarHBondContact O-N 3.44Å; Y153-L157 HydrophobicContact CD1-CD1 4.15Å; Y153-L157 HydrophobicContact CE1-CD1 3.5Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.5Å; Y153-L157 HydrophobicContact CE1-CG 4.47Å; Y153-L157 HydrophobicContact CE2-CD1 4.04Å; Y153-L157 HydrophobicContact CE2-CG 4.44Å; Y153-L157 VanDerWaalsContact CZ-CD1 3.44Å; Y153-L157 WeakPolarHBondContact O-CG 3.36Å; Y153-L157 PolarHBondContact O-N 2.94Å; Y153-L157 VanDerWaalsContact O-N 3.09Å |
| 154 | L | 93.9 | Very high | 88.9 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 178.7 | -66.5 | 175.2 | 0 | 0 | 0 | 112.3 | L150 Q151 L157 L158 | L150-L154 HydrophobicContact CD1-CD1 4.46Å; L150-L154 HydrophobicContact CD1-CG 4.32Å; L150-L154 HydrophobicContact CG-CD1 4.14Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CG 3.26Å; L150-L154 PolarHBondContact O-N 2.91Å; Q151-L154 PolarHBondContact O-N 3.26Å; L154-L157 PolarHBondContact O-N 2.84Å; L154-L158 PolarHBondContact O-N 3.06Å |
| 155 | L | 93.7 | Very high | 88.7 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.6 | -73.5 | 173.3 | 0 | 0 | 0 | 111.9 | Q109 Q151 D152 L157 L158 | Q109-L155 HydrophobicContact CG-CB 4Å; Q151-L155 HydrophobicContact CG-CD1 3.83Å; Q151-L155 HydrophobicContact CG-CG 4.36Å; Q151-L155 WeakPolarHBondContact O-CB 3.39Å; Q151-L155 VanDerWaalsContact O-CG 3.3Å; Q151-L155 WeakPolarHBondContact O-CG 3.42Å; Q151-L155 PolarHBondContact O-N 3.21Å; D152-L155 PolarHBondContact O-N 3.37Å; L155-L157 VanDerWaalsContact C-N 3.26Å; L155-L157 PolarHBondContact O-N 3.02Å; L155-L158 VanDerWaalsContact O-CB 3.26Å; L155-L158 WeakPolarHBondContact O-CB 3.36Å; L155-L158 PolarHBondContact O-N 3.31Å |
| 156 | G | 91.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -32.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q109 F113 D152 Y153 | Q109-G156 VanDerWaalsContact O-CA 3.23Å; Q109-G156 WeakPolarHBondContact O-CA 3.4Å; F113-G156 VanDerWaalsContact CB-O 3.3Å; F113-G156 WeakPolarHBondContact CB-O 3.39Å; D152-G156 PolarHBondContact O-N 3.47Å; Y153-G156 PolarHBondContact O-N 3.44Å |
| 157 | L | 91.9 | Very high | 87.7 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.7 | -15.8 | 176.5 | -70.8 | -173.8 | 0 | 0 | 0 | 114.7 | C116 L126 Y153 L154 L155 L159 L160 P161 | C116-L157 HydrophobicContact CB-CD2 3.71Å; C116-L157 VanDerWaalsContact SG-CD2 3.54Å; L126-L157 HydrophobicContact CD1-CD1 4.23Å; L126-L157 HydrophobicContact CD1-CD2 3.64Å; L126-L157 HydrophobicContact CD2-CD1 4.07Å; L126-L157 HydrophobicContact CG-CD1 4.49Å; Y153-L157 HydrophobicContact CD1-CD1 4.15Å; Y153-L157 HydrophobicContact CE1-CD1 3.5Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.5Å; Y153-L157 HydrophobicContact CE1-CG 4.47Å; Y153-L157 HydrophobicContact CE2-CD1 4.04Å; Y153-L157 HydrophobicContact CE2-CG 4.44Å; Y153-L157 VanDerWaalsContact CZ-CD1 3.44Å; Y153-L157 WeakPolarHBondContact O-CG 3.36Å; Y153-L157 PolarHBondContact O-N 2.94Å; Y153-L157 VanDerWaalsContact O-N 3.09Å; L154-L157 PolarHBondContact O-N 2.84Å; L155-L157 VanDerWaalsContact C-N 3.26Å; L155-L157 PolarHBondContact O-N 3.02Å; L157-L159 PolarHBondContact O-N 3.06Å; L157-L160 HydrophobicContact CD2-CD2 3.9Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 2.98Å; L157-P161 WeakPolarHBondContact O-CD 3.42Å |
| 158 | L | 90.8 | Very high | 86.8 | Confident | 127 Ų | 127 | 56.7 Ų | 56.7 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -37.1 | -170.7 | -176 | 62 | 0 | 0 | 0 | 112.9 | L154 L155 | L154-L158 PolarHBondContact O-N 3.06Å; L155-L158 VanDerWaalsContact O-CB 3.26Å; L155-L158 WeakPolarHBondContact O-CB 3.36Å; L155-L158 PolarHBondContact O-N 3.31Å |
| 159 | L | 82.7 | Confident | 86.1 | Confident | 117 Ų | 117 | 61.2 Ų | 61.2 | 61% | 0.613 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9.6 | -179 | -62.7 | 179.9 | 0 | 0 | 0 | 113.8 | F113 L157 A162 E163 | F113-L159 HydrophobicContact CD2-CB 4.25Å; F113-L159 HydrophobicContact CE2-CB 4.09Å; L157-L159 PolarHBondContact O-N 3.06Å; L159-A162 PolarHBondContact O-N 2.89Å; L159-E163 PolarHBondContact O-N 2.82Å |
| 160 | L | 87.4 | Confident | 85 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | -176.5 | -173.6 | 67.6 | 0 | 0 | 0 | 112.7 | F113 C116 L117 L126 L157 A162 E163 L164 | F113-L160 HydrophobicContact CD2-CB 4.37Å; F113-L160 HydrophobicContact CD2-CD1 4.49Å; F113-L160 HydrophobicContact CE2-CB 4.45Å; F113-L160 HydrophobicContact CE2-CD1 4.34Å; C116-L160 HydrophobicContact CB-CD2 3.98Å; L117-L160 HydrophobicContact CB-CD1 3.97Å; L117-L160 HydrophobicContact CD1-CD1 4.06Å; L126-L160 HydrophobicContact CD1-CD2 3.59Å; L157-L160 HydrophobicContact CD2-CD2 3.9Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 2.98Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 2.9Å; L160-E163 PolarHBondContact O-N 3.37Å; L160-L164 HydrophobicContact CD1-CG 4.38Å; L160-L164 HydrophobicContact CG-CD1 4.1Å; L160-L164 HydrophobicContact CG-CG 4.34Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 3.43Å |
| 161 | P | 85.5 | Confident | 83.9 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 178.9 | -24.7 | 35.3 | 0 | 0 | 0 | 113.6 | L157 L164 V165 | L157-P161 WeakPolarHBondContact O-CD 3.42Å; P161-L164 PolarHBondContact O-N 3.12Å; P161-V165 WeakPolarHBondContact O-CG2 3.39Å; P161-V165 PolarHBondContact O-N 2.89Å |
| 162 | A | 83.6 | Confident | 83 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L159 L160 L164 V165 C166 | L159-A162 PolarHBondContact O-N 2.89Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 2.9Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.25Å; A162-V165 PolarHBondContact O-N 3.02Å; A162-C166 PolarHBondContact O-N 3.07Å |
| 163 | E | 80.7 | Confident | 81.8 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 15% | 0.15 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 178.7 | -162.9 | 73.8 | 164.4 | 0 | 0 | 112.4 | Q56 H59 F113 L117 L159 L160 C166 C167 | Q56-E163 PolarHBondContact NE2-OE1 3.17Å; H59-E163 IonicContact CD2-OE1 3.25Å; H59-E163 IonicContact CE1-OE1 3.13Å; H59-E163 PolarHBondContact CE1-OE1 2.99Å; H59-E163 IonicContact NE2-OE1 3.84Å; H59-E163 PolarHBondContact NE2-OE1 2.96Å; H59-E163 IonicContact NE2-OE2 2.57Å; F113-E163 HydrophobicContact CE2-CB 4.06Å; F113-E163 HydrophobicContact CZ-CB 3.86Å; F113-E163 HydrophobicContact CZ-CG 3.83Å; L117-E163 HydrophobicContact CD1-CG 4.14Å; L117-E163 HydrophobicContact CD2-CG 4.07Å; L159-E163 PolarHBondContact O-N 2.82Å; L160-E163 PolarHBondContact O-N 3.37Å; E163-C166 WeakPolarHBondContact O-CB 3.38Å; E163-C166 PolarHBondContact O-N 3.02Å; E163-C167 PolarHBondContact O-N 3.39Å; E163-C167 PolarHBondContact O-SG 3.5Å |
| 164 | L | 82.2 | Confident | 80.5 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.3 | -66.9 | 179.5 | 0 | 0 | 0 | 112.1 | L117 F120 L160 P161 A162 C166 C167 L168 | L117-L164 HydrophobicContact CD1-CD2 4.04Å; F120-L164 HydrophobicContact CB-CD2 4.38Å; F120-L164 HydrophobicContact CD1-CD1 3.69Å; F120-L164 HydrophobicContact CD1-CD2 3.15Å; F120-L164 HydrophobicContact CD1-CG 4.03Å; F120-L164 HydrophobicContact CD2-CD1 3.99Å; F120-L164 HydrophobicContact CE1-CD1 3.56Å; F120-L164 HydrophobicContact CE1-CD2 3.49Å; F120-L164 VanDerWaalsContact CE1-CD2 3.49Å; F120-L164 HydrophobicContact CE1-CG 4.06Å; F120-L164 HydrophobicContact CE2-CD1 3.87Å; F120-L164 HydrophobicContact CG-CD1 3.89Å; F120-L164 HydrophobicContact CG-CD2 3.87Å; F120-L164 HydrophobicContact CZ-CD1 3.65Å; F120-L164 HydrophobicContact CZ-CD2 4.44Å; L160-L164 HydrophobicContact CD1-CG 4.38Å; L160-L164 HydrophobicContact CG-CD1 4.1Å; L160-L164 HydrophobicContact CG-CG 4.34Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 3.43Å; P161-L164 PolarHBondContact O-N 3.12Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.25Å; L164-C166 VanDerWaalsContact C-N 3.32Å; L164-C167 PolarHBondContact O-N 3.38Å; L164-L168 VanDerWaalsContact O-CG 3.27Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.85Å |
| 165 | V | 80.1 | Confident | 78.9 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | P161 A162 C167 L168 I169 | P161-V165 WeakPolarHBondContact O-CG2 3.39Å; P161-V165 PolarHBondContact O-N 2.89Å; A162-V165 PolarHBondContact O-N 3.02Å; V165-C167 PolarHBondContact O-N 3.36Å; V165-L168 PolarHBondContact O-N 3.25Å; V165-I169 HydrophobicContact CG1-CD1 3.79Å; V165-I169 HydrophobicContact CG1-CG1 4.39Å; V165-I169 VanDerWaalsContact O-CG1 3.32Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.45Å |
| 166 | C | 76.4 | Confident | 77.4 | Confident | 41 Ų | 41 | 74.9 Ų | 74.9 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.5 | -49.6 | 176.1 | -161.6 | 0 | 0 | 0 | 0 | 111.4 | A162 E163 L164 L168 I169 Y170 | A162-C166 PolarHBondContact O-N 3.07Å; E163-C166 WeakPolarHBondContact O-CB 3.38Å; E163-C166 PolarHBondContact O-N 3.02Å; L164-C166 VanDerWaalsContact C-N 3.32Å; C166-L168 VanDerWaalsContact C-N 3.31Å; C166-L168 PolarHBondContact O-N 3.33Å; C166-I169 PolarHBondContact O-N 2.97Å; C166-Y170 WeakPolarHBondContact O-CD2 3.34Å; C166-Y170 PolarHBondContact O-N 3.03Å; C166-Y170 WeakPolarHBondContact SG-CE2 3.23Å |
| 167 | C | 72.9 | Confident | 75.5 | Confident | 18 Ų | 18 | 81.9 Ų | 81.9 | 12% | 0.122 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 176.2 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | E163 L164 V165 R171 | E163-C167 PolarHBondContact O-N 3.39Å; E163-C167 PolarHBondContact O-SG 3.5Å; L164-C167 PolarHBondContact O-N 3.38Å; V165-C167 PolarHBondContact O-N 3.36Å; C167-R171 WeakPolarHBondContact O-CB 3.45Å; C167-R171 PolarHBondContact O-N 3.19Å |
| 168 | L | 73.5 | Confident | 74.6 | Confident | 109 Ų | 109 | 84.8 Ų | 84.8 | 57% | 0.571 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.4 | -38.4 | 177.5 | -72.2 | 173.1 | 0 | 0 | 0 | 112.2 | L164 V165 C166 R171 S172 | L164-L168 VanDerWaalsContact O-CG 3.27Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.85Å; V165-L168 PolarHBondContact O-N 3.25Å; C166-L168 VanDerWaalsContact C-N 3.31Å; C166-L168 PolarHBondContact O-N 3.33Å; L168-R171 PolarHBondContact O-N 3.13Å; L168-S172 PolarHBondContact O-N 3.09Å |
| 169 | I | 75.1 | Confident | 73.8 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 175.4 | -68.3 | 166.6 | 0 | 0 | 0 | 110 | V165 C166 R171 S172 L173 | V165-I169 HydrophobicContact CG1-CD1 3.79Å; V165-I169 HydrophobicContact CG1-CG1 4.39Å; V165-I169 VanDerWaalsContact O-CG1 3.32Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.45Å; C166-I169 PolarHBondContact O-N 2.97Å; I169-R171 PolarHBondContact O-N 2.94Å; I169-S172 WeakPolarHBondContact O-CB 3.4Å; I169-S172 PolarHBondContact O-N 2.7Å; I169-S172 VanDerWaalsContact O-N 3.08Å; I169-L173 HydrophobicContact CG2-CD1 4.19Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.42Å |
| 170 | Y | 71.4 | Confident | 73.3 | Confident | 102 Ų | 102 | 80.6 Ų | 80.6 | 40% | 0.4 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.9 | -37.9 | 175.6 | -77.1 | -64.1 | 0 | 0 | 0 | 112.2 | H59 C166 L173 A174 | H59-Y170 HydrophobicContact CB-CD2 4.41Å; H59-Y170 HydrophobicContact CB-CE2 3.93Å; H59-Y170 AromaticContact CG-CE2 3.99Å; H59-Y170 AromaticContact ND1-CD2 3.57Å; H59-Y170 AromaticContact ND1-CE2 3.45Å; H59-Y170 WeakPolarHBondContact ND1-CE2 3.16Å; C166-Y170 WeakPolarHBondContact O-CD2 3.34Å; C166-Y170 PolarHBondContact O-N 3.03Å; C166-Y170 WeakPolarHBondContact SG-CE2 3.23Å; Y170-L173 PolarHBondContact O-N 2.92Å; Y170-A174 WeakPolarHBondContact O-CB 3.27Å; Y170-A174 PolarHBondContact O-N 3.11Å |
| 171 | R | 70 | Confident | 72.5 | Confident | 132 Ų | 132 | 84.8 Ų | 84.8 | 50% | 0.498 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 175.3 | -171.8 | 176 | -177.8 | -176.1 | -0.3 | 112.5 | L64 C167 L168 I169 L173 N175 | L64-R171 HydrophobicContact CD1-CB 3.66Å; L64-R171 HydrophobicContact CD1-CG 4.19Å; C167-R171 WeakPolarHBondContact O-CB 3.45Å; C167-R171 PolarHBondContact O-N 3.19Å; L168-R171 PolarHBondContact O-N 3.13Å; I169-R171 PolarHBondContact O-N 2.94Å; R171-L173 VanDerWaalsContact C-N 3.35Å; R171-N175 VanDerWaalsContact O-CG 3.3Å; R171-N175 PolarHBondContact O-N 3.49Å; R171-N175 PolarHBondContact O-ND2 3.11Å; R171-N175 VanDerWaalsContact O-ND2 3.13Å |
| 172 | S | 72.2 | Confident | 71.6 | Confident | 59 Ų | 59 | 85 Ų | 85 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | L168 I169 N175 F176 | L168-S172 PolarHBondContact O-N 3.09Å; I169-S172 WeakPolarHBondContact O-CB 3.4Å; I169-S172 PolarHBondContact O-N 2.7Å; I169-S172 VanDerWaalsContact O-N 3.08Å; S172-N175 PolarHBondContact O-N 3.29Å; S172-F176 WeakPolarHBondContact O-CD2 3.41Å |
| 173 | L | 68.2 | Low | 70.8 | Confident | 104 Ų | 104 | 86.3 Ų | 86.3 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 179.7 | -67.4 | 173.5 | 0 | 0 | 0 | 112.3 | I169 Y170 R171 N175 F176 | I169-L173 HydrophobicContact CG2-CD1 4.19Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.42Å; Y170-L173 PolarHBondContact O-N 2.92Å; R171-L173 VanDerWaalsContact C-N 3.35Å; L173-N175 PolarHBondContact O-N 3.21Å; L173-F176 PolarHBondContact O-N 2.99Å |
| 174 | A | 66.3 | Low | 70.1 | Confident | 43 Ų | 43 | 90.2 Ų | 90.2 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -23.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y170 F176 S177 | Y170-A174 WeakPolarHBondContact O-CB 3.27Å; Y170-A174 PolarHBondContact O-N 3.11Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-S177 PolarHBondContact O-OG 3.36Å; A174-S177 VanDerWaalsContact O-OG 3.13Å |
| 175 | N | 61.7 | Low | 69.2 | Low | 127 Ų | 127 | 95.2 Ų | 95.2 | 68% | 0.679 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.6 | 174.5 | -69.4 | -33 | 0 | 0 | 0 | 113.2 | R171 S172 L173 | R171-N175 VanDerWaalsContact O-CG 3.3Å; R171-N175 PolarHBondContact O-N 3.49Å; R171-N175 PolarHBondContact O-ND2 3.11Å; R171-N175 VanDerWaalsContact O-ND2 3.13Å; S172-N175 PolarHBondContact O-N 3.29Å; L173-N175 PolarHBondContact O-N 3.21Å |
| 176 | F | 60.8 | Low | 68.3 | Low | 176 Ų | 176 | 96.3 Ų | 96.3 | 77% | 0.772 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -9.3 | 177.9 | -75.5 | -69.2 | 0 | 0 | 0 | 113.6 | S172 L173 A174 | S172-F176 WeakPolarHBondContact O-CD2 3.41Å; L173-F176 PolarHBondContact O-N 2.99Å; A174-F176 VanDerWaalsContact C-N 3.32Å |
| 177 | S | 51.3 | Low | 67.6 | Low | 150 Ų | 150 | 101.4 Ų | 101.4 | 100% | 1.049 | 54% | 0.535 | S | S | * | . | trans | -101.9 | 0 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | A174 | A174-S177 PolarHBondContact O-OG 3.36Å; A174-S177 VanDerWaalsContact O-OG 3.13Å |
Retrieved 177 of 177 residues in 114.6 ms
(Link to these results)