| 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 | 49.8 | Very low | 68.2 | Low | 239 Ų | 239 | 138.2 Ų | 138.2 | 100% | 1.177 | 65% | 0.647 | S | S | * | * | 0 | 105.1 | 0 | -107 | 89.1 | 175 | 0 | 0 | 107.9 | |||||
| 2 | E | 59.2 | Low | 68.2 | Low | 192 Ų | 192 | 129.8 Ų | 129.8 | 90% | 0.897 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 134.2 | 172.8 | -67.6 | -176.6 | 157.4 | 0 | 0 | 109.3 | ||
| 3 | L | 67 | Low | 68.1 | Low | 106 Ų | 106 | 130 Ų | 130 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 135.7 | -178.3 | -126.2 | 79.2 | 0 | 0 | 0 | 109.9 | E5 I7 | L3-E5 PolarHBondContact O-N 3.26Å; L3-I7 HydrophobicContact CD2-CB 4.37Å; L3-I7 HydrophobicContact CD2-CG2 3.78Å |
| 4 | P | 72.9 | Confident | 68.1 | Low | 74 Ų | 74 | 131.3 Ų | 131.3 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 130.4 | 177.8 | -25.7 | 31.9 | 0 | 0 | 0 | 112.8 | P6 I7 R8 | P4-P6 VanDerWaalsContact C-N 3.31Å; P4-P6 HydrophobicContact CB-CG 4.21Å; P4-P6 WeakPolarHBondContact O-CD 3.49Å; P4-P6 VanDerWaalsContact O-N 3.1Å; P4-I7 HydrophobicContact CB-CD1 4.22Å; P4-I7 HydrophobicContact CB-CG1 4.39Å; P4-I7 HydrophobicContact CG-CD1 4.1Å; P4-I7 WeakPolarHBondContact O-CB 3.35Å; P4-I7 PolarHBondContact O-N 3Å; P4-R8 PolarHBondContact O-N 2.73Å |
| 5 | E | 72.1 | Confident | 68.1 | Low | 96 Ų | 96 | 126.8 Ų | 126.8 | 45% | 0.449 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -39.3 | -43.6 | 176.1 | -82.7 | -71.4 | 142.7 | 0 | 0 | 115.9 | L3 I7 R8 R9 | L3-E5 PolarHBondContact O-N 3.26Å; E5-I7 PolarHBondContact O-N 2.74Å; E5-R8 PolarHBondContact O-N 3.15Å; E5-R8 IonicContact OE1-CZ 3.57Å; E5-R8 IonicContact OE1-NH1 2.62Å; E5-R8 PolarHBondContact OE1-NH1 3.24Å; E5-R8 IonicContact OE1-NH2 3.86Å; E5-R9 PolarHBondContact O-N 3.04Å; E5-R9 VanDerWaalsContact O-N 3.16Å |
| 6 | P | 73.7 | Confident | 67.5 | Low | 82 Ų | 82 | 130.8 Ų | 130.8 | 53% | 0.532 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.1 | -26.6 | 179.1 | 23.7 | -34.8 | 0 | 0 | 0 | 113.7 | P4 R10 | P4-P6 VanDerWaalsContact C-N 3.31Å; P4-P6 HydrophobicContact CB-CG 4.21Å; P4-P6 WeakPolarHBondContact O-CD 3.49Å; P4-P6 VanDerWaalsContact O-N 3.1Å; P6-R10 PolarHBondContact O-N 2.94Å |
| 7 | I | 71.2 | Confident | 67.4 | Low | 77 Ų | 77 | 128.2 Ų | 128.2 | 40% | 0.395 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -80.7 | -39.3 | -179.7 | -56.8 | 178.3 | 0 | 0 | 0 | 110 | L3 P4 E5 R9 R10 L11 | L3-I7 HydrophobicContact CD2-CB 4.37Å; L3-I7 HydrophobicContact CD2-CG2 3.78Å; P4-I7 HydrophobicContact CB-CD1 4.22Å; P4-I7 HydrophobicContact CB-CG1 4.39Å; P4-I7 HydrophobicContact CG-CD1 4.1Å; P4-I7 WeakPolarHBondContact O-CB 3.35Å; P4-I7 PolarHBondContact O-N 3Å; E5-I7 PolarHBondContact O-N 2.74Å; I7-R9 VanDerWaalsContact C-N 3.33Å; I7-R9 PolarHBondContact O-N 3.47Å; I7-R10 PolarHBondContact O-N 3.03Å; I7-L11 HydrophobicContact CG2-CD1 4.04Å; I7-L11 PolarHBondContact O-N 3.19Å |
| 8 | R | 71.6 | Confident | 67.2 | Low | 154 Ų | 154 | 126.4 Ų | 126.4 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.7 | -42.4 | 173.4 | -108.3 | 174.3 | 68.3 | -142.4 | -3.1 | 112.1 | P4 E5 L11 G12 | P4-R8 PolarHBondContact O-N 2.73Å; E5-R8 PolarHBondContact O-N 3.15Å; E5-R8 IonicContact OE1-CZ 3.57Å; E5-R8 IonicContact OE1-NH1 2.62Å; E5-R8 PolarHBondContact OE1-NH1 3.24Å; E5-R8 IonicContact OE1-NH2 3.86Å; R8-L11 PolarHBondContact O-N 3.41Å; R8-G12 PolarHBondContact O-N 3.16Å |
| 9 | R | 70.4 | Confident | 66.8 | Low | 189 Ų | 189 | 129 Ų | 129 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -39.9 | 177.1 | -71.9 | -175.1 | -176.6 | -171.6 | -0.5 | 112.6 | E5 I7 G12 H13 | E5-R9 PolarHBondContact O-N 3.04Å; E5-R9 VanDerWaalsContact O-N 3.16Å; I7-R9 VanDerWaalsContact C-N 3.33Å; I7-R9 PolarHBondContact O-N 3.47Å; R9-G12 PolarHBondContact O-N 3.27Å; R9-H13 PolarHBondContact O-N 3.32Å |
| 10 | R | 72.5 | Confident | 66 | Low | 196 Ų | 196 | 126.7 Ų | 126.7 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.9 | -43.2 | 175.8 | -84.2 | -170.7 | -134.9 | -150.4 | 1.6 | 112.6 | P6 I7 G12 H13 F14 | P6-R10 PolarHBondContact O-N 2.94Å; I7-R10 PolarHBondContact O-N 3.03Å; R10-G12 VanDerWaalsContact C-N 3.33Å; R10-G12 PolarHBondContact O-N 2.9Å; R10-H13 PolarHBondContact O-N 3.26Å; R10-F14 WeakPolarHBondContact O-CB 3.29Å; R10-F14 PolarHBondContact O-N 2.92Å |
| 11 | L | 69.9 | Low | 64.8 | Low | 115 Ų | 115 | 127.3 Ų | 127.3 | 60% | 0.602 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.5 | -39.7 | 174.8 | -106.7 | 95.9 | 0 | 0 | 0 | 112 | I7 R8 F14 S15 | I7-L11 HydrophobicContact CG2-CD1 4.04Å; I7-L11 PolarHBondContact O-N 3.19Å; R8-L11 PolarHBondContact O-N 3.41Å; L11-F14 PolarHBondContact O-N 3.48Å; L11-S15 VanDerWaalsContact O-CB 3.22Å; L11-S15 WeakPolarHBondContact O-CB 3.3Å; L11-S15 PolarHBondContact O-N 3.26Å |
| 12 | G | 68.4 | Low | 64.6 | Low | 37 Ų | 37 | 122.8 Ų | 122.8 | 38% | 0.381 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.1 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R8 R9 R10 R16 | R8-G12 PolarHBondContact O-N 3.16Å; R9-G12 PolarHBondContact O-N 3.27Å; R10-G12 VanDerWaalsContact C-N 3.33Å; R10-G12 PolarHBondContact O-N 2.9Å; G12-R16 PolarHBondContact O-N 3.02Å; G12-R16 VanDerWaalsContact O-N 3.07Å |
| 13 | H | 67 | Low | 63.7 | Low | 133 Ų | 133 | 118.2 Ų | 118.2 | 62% | 0.616 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.2 | -46.7 | 174.3 | -171.5 | -81.6 | 0 | 0 | 0 | 111.1 | R9 R10 S15 R16 T17 | R9-H13 PolarHBondContact O-N 3.32Å; R10-H13 PolarHBondContact O-N 3.26Å; H13-S15 VanDerWaalsContact C-N 3.34Å; H13-S15 PolarHBondContact O-N 3.05Å; H13-R16 PolarHBondContact O-N 3.25Å; H13-T17 PolarHBondContact CE1-OG1 3.28Å; H13-T17 PolarHBondContact ND1-OG1 2.66Å; H13-T17 PolarHBondContact O-N 3.06Å; H13-T17 PolarHBondContact O-OG1 3.02Å |
| 14 | F | 68.3 | Low | 62.7 | Low | 148 Ų | 148 | 123.7 Ų | 123.7 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.5 | -38.2 | 179.5 | -145.4 | -92.6 | 0 | 0 | 0 | 112.3 | R10 L11 T17 V18 | R10-F14 WeakPolarHBondContact O-CB 3.29Å; R10-F14 PolarHBondContact O-N 2.92Å; L11-F14 PolarHBondContact O-N 3.48Å; F14-T17 PolarHBondContact O-N 2.88Å; F14-V18 HydrophobicContact CD1-CG2 3.82Å; F14-V18 HydrophobicContact CE1-CG2 3.8Å; F14-V18 WeakPolarHBondContact O-CB 3.32Å; F14-V18 VanDerWaalsContact O-CG2 3.32Å; F14-V18 WeakPolarHBondContact O-CG2 3.42Å; F14-V18 PolarHBondContact O-N 3.47Å |
| 15 | S | 67.9 | Low | 61.1 | Low | 64 Ų | 64 | 125.7 Ų | 125.7 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.7 | -43.8 | 172.7 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L11 H13 V18 F19 | L11-S15 VanDerWaalsContact O-CB 3.22Å; L11-S15 WeakPolarHBondContact O-CB 3.3Å; L11-S15 PolarHBondContact O-N 3.26Å; H13-S15 VanDerWaalsContact C-N 3.34Å; H13-S15 PolarHBondContact O-N 3.05Å; S15-V18 PolarHBondContact O-N 3.22Å; S15-F19 VanDerWaalsContact O-CB 3.31Å; S15-F19 WeakPolarHBondContact O-CB 3.28Å; S15-F19 PolarHBondContact O-N 3.41Å |
| 16 | R | 58.7 | Low | 59.6 | Low | 191 Ų | 191 | 129.7 Ų | 129.7 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.1 | -38.3 | 174.2 | -84.7 | -179.9 | 166.4 | 167.5 | -3.9 | 112.4 | G12 H13 V20 | G12-R16 PolarHBondContact O-N 3.02Å; G12-R16 VanDerWaalsContact O-N 3.07Å; H13-R16 PolarHBondContact O-N 3.25Å; R16-V20 HydrophobicContact CG-CG2 4.49Å; R16-V20 VanDerWaalsContact O-CA 3.27Å; R16-V20 WeakPolarHBondContact O-CA 3.37Å; R16-V20 WeakPolarHBondContact O-CB 3.45Å; R16-V20 PolarHBondContact O-N 3.04Å |
| 17 | T | 66.1 | Low | 58 | Low | 87 Ų | 87 | 129.3 Ų | 129.3 | 53% | 0.534 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.7 | -28.4 | 180 | -41.7 | 0 | 0 | 0 | 0 | 113 | H13 F14 | H13-T17 PolarHBondContact CE1-OG1 3.28Å; H13-T17 PolarHBondContact ND1-OG1 2.66Å; H13-T17 PolarHBondContact O-N 3.06Å; H13-T17 PolarHBondContact O-OG1 3.02Å; F14-T17 PolarHBondContact O-N 2.88Å |
| 18 | V | 62.4 | Low | 56.8 | Low | 96 Ų | 96 | 127.6 Ų | 127.6 | 58% | 0.582 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -92.7 | -32.6 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | F14 S15 | F14-V18 HydrophobicContact CD1-CG2 3.82Å; F14-V18 HydrophobicContact CE1-CG2 3.8Å; F14-V18 WeakPolarHBondContact O-CB 3.32Å; F14-V18 VanDerWaalsContact O-CG2 3.32Å; F14-V18 WeakPolarHBondContact O-CG2 3.42Å; F14-V18 PolarHBondContact O-N 3.47Å; S15-V18 PolarHBondContact O-N 3.22Å |
| 19 | F | 60 | Low | 55.9 | Low | 175 Ų | 175 | 125.2 Ų | 125.2 | 77% | 0.768 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -98.3 | -13.4 | 178.4 | -80.2 | -87.5 | 0 | 0 | 0 | 114.5 | S15 | S15-F19 VanDerWaalsContact O-CB 3.31Å; S15-F19 WeakPolarHBondContact O-CB 3.28Å; S15-F19 PolarHBondContact O-N 3.41Å |
| 20 | V | 50.8 | Low | 55.1 | Low | 83 Ų | 83 | 123 Ų | 123 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | trans | -116.1 | 68.3 | 174.5 | -167.7 | 0 | 0 | 0 | 0 | 107.7 | R16 Q22 | R16-V20 HydrophobicContact CG-CG2 4.49Å; R16-V20 VanDerWaalsContact O-CA 3.27Å; R16-V20 WeakPolarHBondContact O-CA 3.37Å; R16-V20 WeakPolarHBondContact O-CB 3.45Å; R16-V20 PolarHBondContact O-N 3.04Å; V20-Q22 HydrophobicContact CG1-CB 4.27Å; V20-Q22 PolarHBondContact O-N 3.06Å | ||
| 21 | D | 41.6 | Very low | 53.9 | Low | 140 Ų | 140 | 117.5 Ų | 117.5 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | trans | -68.4 | 96.8 | 154.2 | -171.7 | 27.8 | 0 | 0 | 0 | 107 | S23 | D21-S23 VanDerWaalsContact C-N 3.26Å; D21-S23 PolarHBondContact O-N 3.37Å; D21-S23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | Q | 45.3 | Very low | 53 | Low | 144 Ų | 144 | 117.7 Ų | 117.7 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | trans | -83.6 | 73.5 | 176.9 | -159.7 | 176.4 | 9.5 | 0 | 0 | 107.6 | V20 R24 | V20-Q22 HydrophobicContact CG1-CB 4.27Å; V20-Q22 PolarHBondContact O-N 3.06Å; Q22-R24 HydrophobicContact CG-CB 4.43Å; Q22-R24 PolarHBondContact O-N 3.43Å | ||
| 23 | S | 40.8 | Very low | 52.3 | Low | 95 Ų | 95 | 121 Ų | 121 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | trans | -68.3 | 87.9 | 150.3 | 53.5 | 0 | 0 | 0 | 0 | 107 | D21 T25 | D21-S23 VanDerWaalsContact C-N 3.26Å; D21-S23 PolarHBondContact O-N 3.37Å; D21-S23 VanDerWaalsContact O-N 3.15Å; S23-T25 VanDerWaalsContact C-N 3.25Å; S23-T25 PolarHBondContact O-N 3.5Å | ||
| 24 | R | 44.5 | Very low | 51.5 | Low | 221 Ų | 221 | 118.9 Ų | 118.9 | 83% | 0.834 | 62% | 0.617 | S | S | * | * | trans | -66.6 | 86.6 | 171.5 | -175.4 | 179.3 | 170.7 | 148.3 | -2.5 | 108.4 | Q22 | Q22-R24 HydrophobicContact CG-CB 4.43Å; Q22-R24 PolarHBondContact O-N 3.43Å | ||
| 25 | T | 39.3 | Very low | 50.4 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | trans | -121.9 | 106.7 | 150.1 | 0.5 | 0 | 0 | 0 | 0 | 105.6 | S23 P27 | S23-T25 VanDerWaalsContact C-N 3.25Å; S23-T25 PolarHBondContact O-N 3.5Å; T25-P27 WeakPolarHBondContact O-CD 3.31Å | ||
| 26 | Q | 41.3 | Very low | 49.5 | Very low | 180 Ų | 180 | 122.1 Ų | 122.1 | 84% | 0.841 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -54 | 118 | 167.2 | -173.4 | -177.3 | 9.2 | 0 | 0 | 106.5 | S28 | Q26-S28 PolarHBondContact O-N 3.29Å; Q26-S28 VanDerWaalsContact O-N 3.07Å |
| 27 | P | 40.4 | Very low | 48.9 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 48% | 0.481 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 119 | 177.8 | 23.9 | -29.6 | 0 | 0 | 0 | 107.1 | T25 D31 | T25-P27 WeakPolarHBondContact O-CD 3.31Å; P27-D31 HydrophobicContact CB-CB 4.13Å |
| 28 | S | 45.4 | Very low | 47.6 | Very low | 40 Ų | 40 | 118.7 Ų | 118.7 | 28% | 0.28 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 150.3 | 167.6 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | Q26 E30 D31 H32 | Q26-S28 PolarHBondContact O-N 3.29Å; Q26-S28 VanDerWaalsContact O-N 3.07Å; S28-E30 PolarHBondContact O-N 3.35Å; S28-E30 WeakPolarHBondContact OG-CB 3.13Å; S28-E30 PolarHBondContact OG-N 3.05Å; S28-D31 PolarHBondContact N-OD2 2.99Å; S28-D31 WeakPolarHBondContact O-CB 3.07Å; S28-D31 PolarHBondContact O-N 3.36Å; S28-H32 PolarHBondContact O-N 2.95Å |
| 29 | P | 53.6 | Low | 46.6 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -50 | -28.8 | 167.2 | -22.6 | 31.9 | 0 | 0 | 0 | 111.8 | H32 V33 | P29-H32 PolarHBondContact O-N 3.33Å; P29-V33 WeakPolarHBondContact O-CG2 3.28Å; P29-V33 PolarHBondContact O-N 2.94Å; P29-V33 VanDerWaalsContact O-N 3.14Å |
| 30 | E | 52.4 | Low | 46 | Very low | 142 Ų | 142 | 114.8 Ų | 114.8 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.4 | -33.5 | 174.2 | -59.4 | 177.3 | 165 | 0 | 0 | 112.9 | S28 V33 T34 | S28-E30 PolarHBondContact O-N 3.35Å; S28-E30 WeakPolarHBondContact OG-CB 3.13Å; S28-E30 PolarHBondContact OG-N 3.05Å; E30-V33 PolarHBondContact O-N 3.2Å; E30-T34 VanDerWaalsContact O-CB 3.29Å; E30-T34 WeakPolarHBondContact O-CB 3.48Å; E30-T34 PolarHBondContact O-N 3.4Å; E30-T34 PolarHBondContact O-OG1 3.08Å |
| 31 | D | 48.3 | Very low | 46.1 | Very low | 81 Ų | 81 | 117.5 Ų | 117.5 | 43% | 0.433 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73 | -32.1 | 176.8 | -64.9 | -40 | 0 | 0 | 0 | 111.7 | P27 S28 T34 F35 | P27-D31 HydrophobicContact CB-CB 4.13Å; S28-D31 PolarHBondContact N-OD2 2.99Å; S28-D31 WeakPolarHBondContact O-CB 3.07Å; S28-D31 PolarHBondContact O-N 3.36Å; D31-T34 PolarHBondContact O-N 3.22Å; D31-F35 WeakPolarHBondContact O-CB 3.42Å; D31-F35 PolarHBondContact O-N 3.42Å |
| 32 | H | 51 | Low | 46.8 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.5 | -36.9 | 170.9 | -85.1 | -17.2 | 0 | 0 | 0 | 112.4 | S28 P29 T34 L36 | S28-H32 PolarHBondContact O-N 2.95Å; P29-H32 PolarHBondContact O-N 3.33Å; H32-T34 VanDerWaalsContact C-N 3.34Å; H32-L36 VanDerWaalsContact O-CB 3.29Å; H32-L36 WeakPolarHBondContact O-CB 3.46Å; H32-L36 VanDerWaalsContact O-CG 3.28Å; H32-L36 WeakPolarHBondContact O-CG 3.41Å; H32-L36 PolarHBondContact O-N 3.44Å |
| 33 | V | 53.9 | Low | 47.7 | Very low | 106 Ų | 106 | 110.6 Ų | 110.6 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.9 | -37.3 | 173 | 176 | 0 | 0 | 0 | 0 | 110.8 | P29 E30 G37 | P29-V33 WeakPolarHBondContact O-CG2 3.28Å; P29-V33 PolarHBondContact O-N 2.94Å; P29-V33 VanDerWaalsContact O-N 3.14Å; E30-V33 PolarHBondContact O-N 3.2Å; V33-G37 PolarHBondContact O-N 3Å |
| 34 | T | 50.1 | Low | 49.3 | Very low | 89 Ų | 89 | 108.1 Ų | 108.1 | 55% | 0.546 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.2 | -36.1 | 178.8 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | E30 D31 H32 G37 H38 | E30-T34 VanDerWaalsContact O-CB 3.29Å; E30-T34 WeakPolarHBondContact O-CB 3.48Å; E30-T34 PolarHBondContact O-N 3.4Å; E30-T34 PolarHBondContact O-OG1 3.08Å; D31-T34 PolarHBondContact O-N 3.22Å; H32-T34 VanDerWaalsContact C-N 3.34Å; T34-G37 CarbonylContact O-C 3.5Å; T34-G37 PolarHBondContact O-N 3.04Å; T34-H38 VanDerWaalsContact O-CB 3.26Å; T34-H38 WeakPolarHBondContact O-CB 3.44Å; T34-H38 PolarHBondContact O-N 3.43Å |
| 35 | F | 44.6 | Very low | 51.3 | Low | 149 Ų | 149 | 98.5 Ų | 98.5 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.5 | -33.2 | 176.1 | -158.5 | -94.7 | 0 | 0 | 0 | 112.4 | D31 G37 N39 | D31-F35 WeakPolarHBondContact O-CB 3.42Å; D31-F35 PolarHBondContact O-N 3.42Å; F35-G37 VanDerWaalsContact C-N 3.35Å; F35-N39 PolarHBondContact O-N 2.89Å; F35-N39 PolarHBondContact O-ND2 3.41Å |
| 36 | L | 49.3 | Very low | 53.6 | Low | 132 Ų | 132 | 98.9 Ų | 98.9 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71 | -30.8 | 166.9 | -72.8 | 172.7 | 0 | 0 | 0 | 112.1 | H32 | H32-L36 VanDerWaalsContact O-CB 3.29Å; H32-L36 WeakPolarHBondContact O-CB 3.46Å; H32-L36 VanDerWaalsContact O-CG 3.28Å; H32-L36 WeakPolarHBondContact O-CG 3.41Å; H32-L36 PolarHBondContact O-N 3.44Å |
| 37 | G | 46.2 | Very low | 55.9 | Low | 51 Ų | 51 | 94.3 Ų | 94.3 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.3 | -24.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V33 T34 F35 S40 | V33-G37 PolarHBondContact O-N 3Å; T34-G37 CarbonylContact O-C 3.5Å; T34-G37 PolarHBondContact O-N 3.04Å; F35-G37 VanDerWaalsContact C-N 3.35Å; G37-S40 PolarHBondContact O-N 3.04Å |
| 38 | H | 39 | Very low | 58.3 | Low | 155 Ų | 155 | 90.8 Ų | 90.8 | 72% | 0.718 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -89.9 | -14.2 | 178.5 | -159.5 | 75.6 | 0 | 0 | 0 | 113.3 | T34 S40 | T34-H38 VanDerWaalsContact O-CB 3.26Å; T34-H38 WeakPolarHBondContact O-CB 3.44Å; T34-H38 PolarHBondContact O-N 3.43Å; H38-S40 PolarHBondContact O-N 3.1Å |
| 39 | N | 40.3 | Very low | 60.6 | Low | 104 Ų | 104 | 90.3 Ų | 90.3 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | trans | -76 | 50.5 | 151 | -69.1 | -39.6 | 0 | 0 | 0 | 109.3 | F35 E41 | F35-N39 PolarHBondContact O-N 2.89Å; F35-N39 PolarHBondContact O-ND2 3.41Å; N39-E41 PolarHBondContact O-N 3.41Å | ||
| 40 | S | 47.5 | Very low | 62.6 | Low | 84 Ų | 84 | 90 Ų | 90 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | trans | -61.5 | 84.4 | 159.3 | 55.4 | 0 | 0 | 0 | 0 | 105.3 | G37 H38 V42 | G37-S40 PolarHBondContact O-N 3.04Å; H38-S40 PolarHBondContact O-N 3.1Å; S40-V42 PolarHBondContact O-N 3.31Å | ||
| 41 | E | 53.8 | Low | 64.7 | Low | 141 Ų | 141 | 83.8 Ų | 83.8 | 66% | 0.659 | 46% | 0.464 | S | S | * | . | trans | -43.3 | 118.5 | 178.7 | -87.1 | -179.8 | 133.3 | 0 | 0 | 106.5 | N39 V43 | N39-E41 PolarHBondContact O-N 3.41Å; E41-V43 VanDerWaalsContact C-N 3.29Å; E41-V43 WeakPolarHBondContact O-CG2 3.37Å; E41-V43 PolarHBondContact O-N 2.91Å | ||
| 42 | V | 55.6 | Low | 66.9 | Low | 112 Ų | 112 | 80.3 Ų | 80.3 | 68% | 0.679 | 45% | 0.445 | S | S | * | . | trans | -54.5 | 103.9 | 164.3 | 170.9 | 0 | 0 | 0 | 0 | 105.5 | S40 S44 | S40-V42 PolarHBondContact O-N 3.31Å; V42-S44 WeakPolarHBondContact CG1-OG 3.49Å; V42-S44 PolarHBondContact O-N 2.98Å | ||
| 43 | V | 64.1 | Low | 69.1 | Low | 27 Ų | 27 | 80.5 Ų | 80.5 | 16% | 0.164 | 45% | 0.445 | C | S | . | . | trans | -76.2 | -9.9 | -173.9 | -169.5 | 0 | 0 | 0 | 0 | 109.8 | E41 S45 E110 M170 | E41-V43 VanDerWaalsContact C-N 3.29Å; E41-V43 WeakPolarHBondContact O-CG2 3.37Å; E41-V43 PolarHBondContact O-N 2.91Å; V43-S45 PolarHBondContact O-N 3.41Å; V43-E110 PolarHBondContact N-OE1 3.32Å; V43-M170 HydrophobicContact CB-CG 4.32Å; V43-M170 HydrophobicContact CG1-CG 3.68Å | ||
| 44 | S | 75.7 | Confident | 71.1 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | trans | -54.4 | 123.2 | 175.5 | 84.8 | 0 | 0 | 0 | 0 | 110.9 | V42 L46 N107 E110 | V42-S44 WeakPolarHBondContact CG1-OG 3.49Å; V42-S44 PolarHBondContact O-N 2.98Å; S44-L46 PolarHBondContact O-N 3.46Å; S44-N107 WeakPolarHBondContact CB-O 3.48Å; S44-E110 PolarHBondContact N-OE1 3.32Å | ||
| 45 | S | 84.9 | Confident | 73.3 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 13% | 0.133 | 41% | 0.411 | C | S | . | . | trans | -85 | 108.1 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | V43 L48 Q49 N107 A166 | V43-S45 PolarHBondContact O-N 3.41Å; S45-L48 PolarHBondContact O-N 3.06Å; S45-L48 WeakPolarHBondContact OG-CB 3.16Å; S45-L48 WeakPolarHBondContact OG-CD2 3.49Å; S45-Q49 PolarHBondContact O-N 3.15Å; S45-N107 PolarHBondContact N-OD1 3.37Å; S45-N107 PolarHBondContact O-ND2 3.49Å; S45-N107 PolarHBondContact OG-ND2 3.42Å; S45-N107 PolarHBondContact OG-OD1 3.23Å; S45-A166 WeakPolarHBondContact OG-CB 3.38Å | ||
| 46 | L | 87.6 | Confident | 75.8 | Confident | 125 Ų | 125 | 75.4 Ų | 75.4 | 65% | 0.654 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -53.8 | -47 | 173.7 | -174.7 | 66.5 | 0 | 0 | 0 | 114 | S44 L48 Q49 M50 | S44-L46 PolarHBondContact O-N 3.46Å; L46-L48 VanDerWaalsContact C-N 3.27Å; L46-L48 PolarHBondContact O-N 3.48Å; L46-Q49 PolarHBondContact O-N 2.89Å; L46-Q49 VanDerWaalsContact O-N 3.14Å; L46-M50 HydrophobicContact CD1-CG 4.34Å; L46-M50 HydrophobicContact CG-CG 4.4Å; L46-M50 WeakPolarHBondContact O-CG 3.42Å; L46-M50 PolarHBondContact O-N 3.37Å |
| 47 | P | 89.4 | Confident | 78.1 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.5 | -33.5 | -178.4 | 23 | -33.4 | 0 | 0 | 0 | 112.7 | S51 | P47-S51 WeakPolarHBondContact O-CB 3.38Å; P47-S51 PolarHBondContact O-N 2.87Å |
| 48 | L | 92 | Very high | 80.5 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | 174.6 | -178.7 | 60.3 | 0 | 0 | 0 | 110.7 | S45 L46 M50 S51 L52 N107 L115 F118 Q159 S162 A166 | S45-L48 PolarHBondContact O-N 3.06Å; S45-L48 WeakPolarHBondContact OG-CB 3.16Å; S45-L48 WeakPolarHBondContact OG-CD2 3.49Å; L46-L48 VanDerWaalsContact C-N 3.27Å; L46-L48 PolarHBondContact O-N 3.48Å; L48-M50 PolarHBondContact O-N 3.29Å; L48-S51 PolarHBondContact O-N 3.4Å; L48-L52 HydrophobicContact CD1-CD1 4.29Å; L48-L52 HydrophobicContact CD1-CG 4.28Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 HydrophobicContact CG-CG 4.43Å; L48-L52 WeakPolarHBondContact O-CB 3.26Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.08Å; L48-N107 HydrophobicContact CD2-CB 3.98Å; L48-L115 HydrophobicContact CD2-CD1 3.91Å; L48-F118 HydrophobicContact CD1-CE1 3.83Å; L48-F118 HydrophobicContact CD1-CZ 3.88Å; L48-Q159 HydrophobicContact CD1-CB 4.34Å; L48-Q159 HydrophobicContact CD1-CG 4.23Å; L48-S162 WeakPolarHBondContact CD1-OG 3.32Å; L48-A166 HydrophobicContact CD2-CB 4.43Å |
| 49 | Q | 94 | Very high | 83.3 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.8 | -77.3 | -48.7 | -28.4 | 0 | 0 | 112.9 | S45 L46 S51 L52 F53 Y104 N107 L108 | S45-Q49 PolarHBondContact O-N 3.15Å; L46-Q49 PolarHBondContact O-N 2.89Å; L46-Q49 VanDerWaalsContact O-N 3.14Å; Q49-S51 VanDerWaalsContact C-N 3.3Å; Q49-S51 PolarHBondContact O-N 2.99Å; Q49-L52 PolarHBondContact O-N 3.18Å; Q49-F53 WeakPolarHBondContact O-CB 3.25Å; Q49-F53 PolarHBondContact O-N 3.36Å; Q49-Y104 VanDerWaalsContact OE1-CD2 3.28Å; Q49-N107 WeakPolarHBondContact CG-ND2 3.34Å; Q49-N107 PolarHBondContact NE2-ND2 2.97Å; Q49-L108 HydrophobicContact CG-CD1 4.17Å |
| 50 | M | 94.8 | Very high | 86 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 49% | 0.493 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 179.8 | -63.6 | -63.1 | -91.5 | 0 | 0 | 110.7 | L46 L48 F53 F54 | L46-M50 HydrophobicContact CD1-CG 4.34Å; L46-M50 HydrophobicContact CG-CG 4.4Å; L46-M50 WeakPolarHBondContact O-CG 3.42Å; L46-M50 PolarHBondContact O-N 3.37Å; L48-M50 PolarHBondContact O-N 3.29Å; M50-F53 PolarHBondContact O-N 2.72Å; M50-F54 HydrophobicContact CB-CE2 4.49Å; M50-F54 WeakPolarHBondContact O-CD2 3.45Å; M50-F54 PolarHBondContact O-N 3.49Å; M50-F54 VanDerWaalsContact O-N 3.08Å |
| 51 | S | 95.9 | Very high | 88.3 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 176.7 | -169.5 | 0 | 0 | 0 | 0 | 112.8 | P47 L48 Q49 N55 | P47-S51 WeakPolarHBondContact O-CB 3.38Å; P47-S51 PolarHBondContact O-N 2.87Å; L48-S51 PolarHBondContact O-N 3.4Å; Q49-S51 VanDerWaalsContact C-N 3.3Å; Q49-S51 PolarHBondContact O-N 2.99Å; S51-N55 WeakPolarHBondContact O-CB 3.13Å; S51-N55 PolarHBondContact O-N 2.81Å |
| 52 | L | 96.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.1 | -73.3 | 169.4 | 0 | 0 | 0 | 111.8 | L48 Q49 N55 M56 L100 G103 F118 Q159 | L48-L52 HydrophobicContact CD1-CD1 4.29Å; L48-L52 HydrophobicContact CD1-CG 4.28Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 HydrophobicContact CG-CG 4.43Å; L48-L52 WeakPolarHBondContact O-CB 3.26Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.08Å; Q49-L52 PolarHBondContact O-N 3.18Å; L52-N55 PolarHBondContact O-N 3.25Å; L52-M56 WeakPolarHBondContact O-CB 3.33Å; L52-M56 PolarHBondContact O-N 2.98Å; L52-L100 HydrophobicContact CD2-CD2 3.8Å; L52-G103 VanDerWaalsContact CD1-C 3.42Å; L52-F118 HydrophobicContact CD2-CE2 3.59Å; L52-F118 HydrophobicContact CD2-CZ 3.87Å; L52-Q159 HydrophobicContact CD2-CG 4.43Å |
| 53 | F | 95.8 | Very high | 92.4 | Very high | 123 Ų | 123 | 58.2 Ų | 58.2 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.4 | -51.3 | 178.3 | 175.8 | -100 | 0 | 0 | 0 | 111.9 | Q49 M50 N55 M56 C57 | Q49-F53 WeakPolarHBondContact O-CB 3.25Å; Q49-F53 PolarHBondContact O-N 3.36Å; M50-F53 PolarHBondContact O-N 2.72Å; F53-N55 VanDerWaalsContact C-N 3.28Å; F53-N55 PolarHBondContact O-N 2.95Å; F53-M56 WeakPolarHBondContact O-CB 3.44Å; F53-M56 PolarHBondContact O-N 3.45Å; F53-C57 PolarHBondContact O-N 3.32Å; F53-C57 VanDerWaalsContact O-N 3.13Å |
| 54 | F | 96.9 | Very high | 94 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.5 | -71.8 | -55 | 0 | 0 | 0 | 112.3 | M50 C57 F58 F155 | M50-F54 HydrophobicContact CB-CE2 4.49Å; M50-F54 WeakPolarHBondContact O-CD2 3.45Å; M50-F54 PolarHBondContact O-N 3.49Å; M50-F54 VanDerWaalsContact O-N 3.08Å; F54-C57 PolarHBondContact O-N 2.82Å; F54-F58 WeakPolarHBondContact O-CB 3.45Å; F54-F58 PolarHBondContact O-N 3.41Å; F54-F155 HydrophobicContact CB-CE1 3.64Å; F54-F155 HydrophobicContact CB-CZ 3.82Å |
| 55 | N | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.3 | -172.3 | 41.5 | 0 | 0 | 0 | 111.9 | S51 L52 F53 C57 F58 F59 E96 R99 L100 L152 F155 Q159 | S51-N55 WeakPolarHBondContact O-CB 3.13Å; S51-N55 PolarHBondContact O-N 2.81Å; L52-N55 PolarHBondContact O-N 3.25Å; F53-N55 VanDerWaalsContact C-N 3.28Å; F53-N55 PolarHBondContact O-N 2.95Å; N55-C57 VanDerWaalsContact C-N 3.3Å; N55-C57 PolarHBondContact O-N 3.21Å; N55-F58 PolarHBondContact O-N 3.37Å; N55-F59 VanDerWaalsContact O-CB 3.31Å; N55-F59 WeakPolarHBondContact O-CB 3.33Å; N55-F59 PolarHBondContact O-N 2.89Å; N55-E96 PolarHBondContact ND2-OE1 2.92Å; N55-R99 PolarHBondContact ND2-NH2 3.48Å; N55-R99 VanDerWaalsContact ND2-NH2 3.11Å; N55-L100 HydrophobicContact CB-CD2 4.43Å; N55-L152 WeakPolarHBondContact OD1-CD1 3.47Å; N55-F155 HydrophobicContact CB-CB 4.29Å; N55-F155 HydrophobicContact CB-CD1 3.98Å; N55-F155 HydrophobicContact CB-CD2 4.4Å; N55-F155 HydrophobicContact CB-CE1 4.42Å; N55-F155 HydrophobicContact CB-CG 3.99Å; N55-Q159 PolarHBondContact ND2-NE2 3.44Å |
| 56 | M | 96.4 | Very high | 95.6 | Very high | 125 Ų | 125 | 59.3 Ų | 59.3 | 62% | 0.616 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.5 | -39.8 | 173.7 | -176.7 | -179.7 | 178.6 | 0 | 0 | 112.2 | L52 F53 P60 L100 | L52-M56 WeakPolarHBondContact O-CB 3.33Å; L52-M56 PolarHBondContact O-N 2.98Å; F53-M56 WeakPolarHBondContact O-CB 3.44Å; F53-M56 PolarHBondContact O-N 3.45Å; M56-P60 WeakPolarHBondContact O-CD 3.43Å; M56-L100 HydrophobicContact CB-CD1 4.22Å |
| 57 | C | 96.9 | Very high | 96 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 49% | 0.486 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73 | -34.6 | 175.2 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | F53 F54 N55 P60 | F53-C57 PolarHBondContact O-N 3.32Å; F53-C57 VanDerWaalsContact O-N 3.13Å; F54-C57 PolarHBondContact O-N 2.82Å; N55-C57 VanDerWaalsContact C-N 3.3Å; N55-C57 PolarHBondContact O-N 3.21Å; C57-P60 WeakPolarHBondContact O-CD 3.27Å |
| 58 | F | 97.1 | Very high | 96.4 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.7 | -33 | 179.8 | 176.4 | -104.5 | 0 | 0 | 0 | 112.6 | F54 N55 L61 W62 V148 I151 L152 F155 | F54-F58 WeakPolarHBondContact O-CB 3.45Å; F54-F58 PolarHBondContact O-N 3.41Å; N55-F58 PolarHBondContact O-N 3.37Å; F58-L61 WeakPolarHBondContact O-CA 3.4Å; F58-L61 WeakPolarHBondContact O-CB 3.22Å; F58-L61 PolarHBondContact O-N 3.19Å; F58-W62 HydrophobicContact CD1-CB 4.24Å; F58-W62 HydrophobicContact CE1-CB 3.79Å; F58-W62 HydrophobicContact CE1-CG 4.32Å; F58-W62 HydrophobicContact CZ-CB 4.21Å; F58-W62 PolarHBondContact O-N 3.08Å; F58-V148 HydrophobicContact CZ-CB 4.22Å; F58-I151 HydrophobicContact CD1-CG2 4.31Å; F58-I151 HydrophobicContact CD2-CG2 4.19Å; F58-I151 HydrophobicContact CE1-CB 4.24Å; F58-I151 HydrophobicContact CE1-CG2 3.84Å; F58-I151 HydrophobicContact CE2-CB 4.25Å; F58-I151 HydrophobicContact CE2-CD1 4.29Å; F58-I151 HydrophobicContact CE2-CG2 3.71Å; F58-I151 HydrophobicContact CG-CG2 4.48Å; F58-I151 HydrophobicContact CZ-CB 3.74Å; F58-I151 HydrophobicContact CZ-CD1 4.4Å; F58-I151 HydrophobicContact CZ-CG2 3.52Å; F58-L152 HydrophobicContact CE1-CB 4.13Å; F58-F155 HydrophobicContact CB-CE2 3.96Å; F58-F155 HydrophobicContact CD1-CD2 4.08Å; F58-F155 AromaticContact CD1-CE2 3.93Å; F58-F155 HydrophobicContact CD1-CE2 3.93Å; F58-F155 AromaticContact CG-CE2 3.9Å; F58-F155 HydrophobicContact CG-CE2 3.9Å |
| 59 | F | 96.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -42 | -171.9 | -174.9 | -103.1 | 0 | 0 | 0 | 114.8 | N55 L61 W62 W63 T93 E96 | N55-F59 VanDerWaalsContact O-CB 3.31Å; N55-F59 WeakPolarHBondContact O-CB 3.33Å; N55-F59 PolarHBondContact O-N 2.89Å; F59-L61 VanDerWaalsContact C-N 3.28Å; F59-L61 PolarHBondContact O-N 3.09Å; F59-W62 AromaticContact CD2-CE3 3.98Å; F59-W62 HydrophobicContact CD2-CE3 3.98Å; F59-W62 HydrophobicContact CE2-CD2 4.41Å; F59-W62 AromaticContact CE2-CE3 3.45Å; F59-W62 HydrophobicContact CE2-CE3 3.45Å; F59-W62 VanDerWaalsContact CE2-CE3 3.45Å; F59-W62 AromaticContact CE2-CZ3 3.68Å; F59-W62 HydrophobicContact CE2-CZ3 3.68Å; F59-W62 HydrophobicContact CZ-CE3 4.06Å; F59-W62 HydrophobicContact CZ-CZ3 4.05Å; F59-W62 WeakPolarHBondContact O-CB 3.48Å; F59-W62 PolarHBondContact O-N 2.97Å; F59-W63 WeakPolarHBondContact O-CB 3.33Å; F59-W63 PolarHBondContact O-N 3.02Å; F59-T93 HydrophobicContact CE1-CG2 4.16Å; F59-T93 HydrophobicContact CZ-CG2 4.23Å; F59-E96 HydrophobicContact CD1-CG 4.13Å; F59-E96 HydrophobicContact CD2-CB 4.21Å; F59-E96 HydrophobicContact CD2-CG 3.44Å; F59-E96 VanDerWaalsContact CD2-CG 3.44Å; F59-E96 HydrophobicContact CE1-CB 4.4Å; F59-E96 HydrophobicContact CE1-CG 4.19Å; F59-E96 HydrophobicContact CE2-CB 3.73Å; F59-E96 HydrophobicContact CE2-CG 3.5Å; F59-E96 HydrophobicContact CG-CG 3.78Å; F59-E96 HydrophobicContact CZ-CB 3.87Å; F59-E96 HydrophobicContact CZ-CG 3.91Å |
| 60 | P | 97.1 | Very high | 96.7 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.7 | -38.1 | 172.8 | -25.7 | 34.5 | 0 | 0 | 0 | 113.3 | M56 C57 W63 I64 | M56-P60 WeakPolarHBondContact O-CD 3.43Å; C57-P60 WeakPolarHBondContact O-CD 3.27Å; P60-W63 PolarHBondContact O-N 3.31Å; P60-I64 VanDerWaalsContact O-CG1 3.26Å; P60-I64 WeakPolarHBondContact O-CG1 3.24Å; P60-I64 PolarHBondContact O-N 3.45Å |
| 61 | L | 97.1 | Very high | 96.8 | Very high | 113 Ų | 113 | 57.6 Ų | 57.6 | 59% | 0.592 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68.4 | -43 | 177.3 | -63.6 | 172.2 | 0 | 0 | 0 | 111 | F58 F59 W63 S65 | F58-L61 WeakPolarHBondContact O-CA 3.4Å; F58-L61 WeakPolarHBondContact O-CB 3.22Å; F58-L61 PolarHBondContact O-N 3.19Å; F59-L61 VanDerWaalsContact C-N 3.28Å; F59-L61 PolarHBondContact O-N 3.09Å; L61-W63 VanDerWaalsContact C-N 3.34Å; L61-W63 PolarHBondContact O-N 3.25Å; L61-S65 WeakPolarHBondContact O-CB 3.37Å; L61-S65 PolarHBondContact O-N 3.05Å |
| 62 | W | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 173.1 | 177.5 | 86.9 | 0 | 0 | 0 | 111.2 | F58 F59 S65 E66 L89 M92 H149 L152 | F58-W62 HydrophobicContact CD1-CB 4.24Å; F58-W62 HydrophobicContact CE1-CB 3.79Å; F58-W62 HydrophobicContact CE1-CG 4.32Å; F58-W62 HydrophobicContact CZ-CB 4.21Å; F58-W62 PolarHBondContact O-N 3.08Å; F59-W62 AromaticContact CD2-CE3 3.98Å; F59-W62 HydrophobicContact CD2-CE3 3.98Å; F59-W62 HydrophobicContact CE2-CD2 4.41Å; F59-W62 AromaticContact CE2-CE3 3.45Å; F59-W62 HydrophobicContact CE2-CE3 3.45Å; F59-W62 VanDerWaalsContact CE2-CE3 3.45Å; F59-W62 AromaticContact CE2-CZ3 3.68Å; F59-W62 HydrophobicContact CE2-CZ3 3.68Å; F59-W62 HydrophobicContact CZ-CE3 4.06Å; F59-W62 HydrophobicContact CZ-CZ3 4.05Å; F59-W62 WeakPolarHBondContact O-CB 3.48Å; F59-W62 PolarHBondContact O-N 2.97Å; W62-S65 WeakPolarHBondContact O-CB 3.29Å; W62-S65 PolarHBondContact O-N 2.85Å; W62-E66 HydrophobicContact CH2-CG 4.29Å; W62-E66 HydrophobicContact CZ2-CG 4.32Å; W62-E66 WeakPolarHBondContact O-CB 3.41Å; W62-E66 PolarHBondContact O-N 3.25Å; W62-L89 HydrophobicContact CZ3-CD1 4.39Å; W62-M92 HydrophobicContact CH2-CB 4.07Å; W62-M92 HydrophobicContact CH2-CE 4.45Å; W62-M92 HydrophobicContact CZ2-CE 4.38Å; W62-H149 AromaticContact CE2-CE1 3.96Å; W62-H149 AromaticContact CE2-ND1 3.75Å; W62-H149 AromaticContact CZ2-CE1 3.74Å; W62-H149 AromaticContact CZ2-ND1 3.81Å; W62-H149 AromaticContact NE1-CE1 3.61Å; W62-H149 AromaticContact NE1-ND1 3.09Å; W62-H149 PolarHBondContact NE1-ND1 3.45Å; W62-L152 HydrophobicContact CD2-CD2 3.91Å; W62-L152 HydrophobicContact CG-CD2 4.12Å; W62-L152 HydrophobicContact CZ2-CD2 4.06Å |
| 63 | W | 97.9 | Very high | 96.7 | Very high | 105 Ų | 105 | 62.1 Ų | 62.1 | 40% | 0.398 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | -178.1 | -172.1 | 91.7 | 0 | 0 | 0 | 112.4 | F59 P60 L61 S65 E66 V67 T93 | F59-W63 WeakPolarHBondContact O-CB 3.33Å; F59-W63 PolarHBondContact O-N 3.02Å; P60-W63 PolarHBondContact O-N 3.31Å; L61-W63 VanDerWaalsContact C-N 3.34Å; L61-W63 PolarHBondContact O-N 3.25Å; W63-S65 VanDerWaalsContact C-N 3.34Å; W63-S65 PolarHBondContact O-N 2.97Å; W63-E66 PolarHBondContact O-N 2.96Å; W63-V67 HydrophobicContact CD2-CG2 3.98Å; W63-V67 HydrophobicContact CE3-CG2 3.98Å; W63-V67 HydrophobicContact CH2-CG2 3.82Å; W63-V67 HydrophobicContact CZ2-CG2 3.8Å; W63-V67 HydrophobicContact CZ3-CG2 3.9Å; W63-V67 WeakPolarHBondContact O-CG2 3.16Å; W63-V67 PolarHBondContact O-N 2.99Å; W63-T93 VanDerWaalsContact CD1-OG1 3.25Å; W63-T93 PolarHBondContact NE1-OG1 3.43Å |
| 64 | I | 97.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.9 | -67.8 | 165.4 | 0 | 0 | 0 | 110.2 | P60 E66 V67 V68 | P60-I64 VanDerWaalsContact O-CG1 3.26Å; P60-I64 WeakPolarHBondContact O-CG1 3.24Å; P60-I64 PolarHBondContact O-N 3.45Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 3.48Å; I64-V67 PolarHBondContact O-N 2.9Å; I64-V68 HydrophobicContact CG2-CG2 4.38Å; I64-V68 WeakPolarHBondContact O-CB 3.49Å; I64-V68 VanDerWaalsContact O-CG2 3.3Å; I64-V68 WeakPolarHBondContact O-CG2 3.27Å; I64-V68 PolarHBondContact O-N 2.86Å |
| 65 | S | 96.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -47 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | L61 W62 W63 V68 M69 L144 | L61-S65 WeakPolarHBondContact O-CB 3.37Å; L61-S65 PolarHBondContact O-N 3.05Å; W62-S65 WeakPolarHBondContact O-CB 3.29Å; W62-S65 PolarHBondContact O-N 2.85Å; W63-S65 VanDerWaalsContact C-N 3.34Å; W63-S65 PolarHBondContact O-N 2.97Å; S65-V68 PolarHBondContact O-N 3.39Å; S65-M69 WeakPolarHBondContact O-CB 3.42Å; S65-M69 WeakPolarHBondContact O-CG 3.4Å; S65-M69 PolarHBondContact O-N 3.49Å; S65-L144 WeakPolarHBondContact OG-CD2 3.22Å |
| 66 | E | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | -179.4 | -171.4 | 66.4 | 179.7 | 0 | 0 | 111.8 | W62 W63 I64 M69 L70 L89 Q133 H149 | W62-E66 HydrophobicContact CH2-CG 4.29Å; W62-E66 HydrophobicContact CZ2-CG 4.32Å; W62-E66 WeakPolarHBondContact O-CB 3.41Å; W62-E66 PolarHBondContact O-N 3.25Å; W63-E66 PolarHBondContact O-N 2.96Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 3.48Å; E66-M69 PolarHBondContact O-N 3.5Å; E66-L70 WeakPolarHBondContact O-CB 3.31Å; E66-L70 PolarHBondContact O-N 2.99Å; E66-L89 HydrophobicContact CB-CD1 4.24Å; E66-L89 HydrophobicContact CG-CD1 3.84Å; E66-Q133 PolarHBondContact OE1-NE2 3.37Å; E66-H149 IonicContact OE1-CE1 2.72Å; E66-H149 IonicContact OE1-NE2 3.02Å; E66-H149 IonicContact OE2-CE1 2.66Å; E66-H149 PolarHBondContact OE2-CE1 3.47Å; E66-H149 IonicContact OE2-NE2 3.71Å; E66-H149 PolarHBondContact OE2-NE2 3.07Å |
| 67 | V | 97.6 | Very high | 96.3 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.3 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | W63 I64 H71 L89 | W63-V67 HydrophobicContact CD2-CG2 3.98Å; W63-V67 HydrophobicContact CE3-CG2 3.98Å; W63-V67 HydrophobicContact CH2-CG2 3.82Å; W63-V67 HydrophobicContact CZ2-CG2 3.8Å; W63-V67 HydrophobicContact CZ3-CG2 3.9Å; W63-V67 WeakPolarHBondContact O-CG2 3.16Å; W63-V67 PolarHBondContact O-N 2.99Å; I64-V67 PolarHBondContact O-N 2.9Å; V67-H71 WeakPolarHBondContact O-CB 3.36Å; V67-H71 PolarHBondContact O-N 3.16Å; V67-L89 HydrophobicContact CG2-CD2 3.79Å |
| 68 | V | 97.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -47.9 | 179.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | I64 S65 H71 L72 | I64-V68 HydrophobicContact CG2-CG2 4.38Å; I64-V68 WeakPolarHBondContact O-CB 3.49Å; I64-V68 VanDerWaalsContact O-CG2 3.3Å; I64-V68 WeakPolarHBondContact O-CG2 3.27Å; I64-V68 PolarHBondContact O-N 2.86Å; S65-V68 PolarHBondContact O-N 3.39Å; V68-H71 WeakPolarHBondContact O-CB 3.26Å; V68-H71 PolarHBondContact O-N 3.35Å; V68-L72 HydrophobicContact CG1-CD1 4.22Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3.03Å |
| 69 | M | 96.3 | Very high | 96 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 179.7 | -67.4 | -73.5 | 127.6 | 0 | 0 | 111.2 | S65 E66 H71 L72 K73 Q142 L144 E145 | S65-M69 WeakPolarHBondContact O-CB 3.42Å; S65-M69 WeakPolarHBondContact O-CG 3.4Å; S65-M69 PolarHBondContact O-N 3.49Å; E66-M69 PolarHBondContact O-N 3.5Å; M69-H71 VanDerWaalsContact C-N 3.33Å; M69-H71 PolarHBondContact O-N 3.39Å; M69-L72 HydrophobicContact CE-CD1 4.13Å; M69-L72 PolarHBondContact O-N 3.27Å; M69-K73 WeakPolarHBondContact O-CG 3.45Å; M69-K73 PolarHBondContact O-N 3.49Å; M69-K73 VanDerWaalsContact O-N 3.08Å; M69-Q142 VanDerWaalsContact CA-OE1 3.29Å; M69-Q142 VanDerWaalsContact CB-OE1 3.23Å; M69-Q142 PolarHBondContact O-OE1 3.16Å; M69-Q142 HydrophobicContact SD-CB 3.73Å; M69-Q142 HydrophobicContact SD-CG 4.29Å; M69-Q142 PolarHBondContact SD-OE1 2.93Å; M69-L144 HydrophobicContact CE-CB 3.9Å; M69-L144 HydrophobicContact CE-CD2 3.34Å; M69-L144 HydrophobicContact CE-CG 4.19Å; M69-L144 HydrophobicContact CG-CD2 4.4Å; M69-L144 HydrophobicContact SD-CB 3.9Å; M69-L144 HydrophobicContact SD-CD2 4.2Å; M69-E145 HydrophobicContact CB-CB 4.35Å; M69-E145 HydrophobicContact CG-CB 4.22Å |
| 70 | L | 96.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 174.1 | -179.7 | 59.3 | 0 | 0 | 0 | 111.6 | E66 L72 K73 Y74 L77 L85 I86 L89 | E66-L70 WeakPolarHBondContact O-CB 3.31Å; E66-L70 PolarHBondContact O-N 2.99Å; L70-L72 PolarHBondContact O-N 2.83Å; L70-K73 PolarHBondContact O-N 2.99Å; L70-Y74 HydrophobicContact CD1-CD2 4.28Å; L70-Y74 HydrophobicContact CG-CD2 4.4Å; L70-Y74 WeakPolarHBondContact O-CA 3.11Å; L70-Y74 VanDerWaalsContact O-CB 3.29Å; L70-Y74 WeakPolarHBondContact O-CB 3.46Å; L70-Y74 PolarHBondContact O-N 2.9Å; L70-L77 HydrophobicContact CD1-CD1 4.27Å; L70-L85 HydrophobicContact CD1-CB 3.86Å; L70-L85 HydrophobicContact CD1-CD1 3.76Å; L70-L85 HydrophobicContact CD1-CG 4.49Å; L70-I86 HydrophobicContact CD2-CG1 4.19Å; L70-L89 HydrophobicContact CD2-CD2 4.43Å |
| 71 | H | 96.3 | Very high | 95.8 | Very high | 144 Ų | 144 | 64.2 Ų | 64.2 | 67% | 0.667 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 177.7 | -174.8 | 68.6 | 0 | 0 | 0 | 112.2 | V67 V68 M69 Y74 | V67-H71 WeakPolarHBondContact O-CB 3.36Å; V67-H71 PolarHBondContact O-N 3.16Å; V68-H71 WeakPolarHBondContact O-CB 3.26Å; V68-H71 PolarHBondContact O-N 3.35Å; M69-H71 VanDerWaalsContact C-N 3.33Å; M69-H71 PolarHBondContact O-N 3.39Å; H71-Y74 WeakPolarHBondContact O-CB 3.49Å; H71-Y74 PolarHBondContact O-N 3.48Å |
| 72 | L | 95.3 | Very high | 95.7 | Very high | 105 Ų | 105 | 60.5 Ų | 60.5 | 55% | 0.55 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 180 | -68.9 | 173.5 | 0 | 0 | 0 | 112.6 | V68 M69 L70 | V68-L72 HydrophobicContact CG1-CD1 4.22Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3.03Å; M69-L72 HydrophobicContact CE-CD1 4.13Å; M69-L72 PolarHBondContact O-N 3.27Å; L70-L72 PolarHBondContact O-N 2.83Å |
| 73 | K | 94.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -89.2 | -9.2 | -179.5 | 72.7 | -171.4 | -176.6 | 175.3 | 0 | 114 | M69 L70 P75 A76 L77 I139 E145 | M69-K73 WeakPolarHBondContact O-CG 3.45Å; M69-K73 PolarHBondContact O-N 3.49Å; M69-K73 VanDerWaalsContact O-N 3.08Å; L70-K73 PolarHBondContact O-N 2.99Å; K73-P75 VanDerWaalsContact C-CD 3.44Å; K73-A76 PolarHBondContact O-N 3.18Å; K73-L77 HydrophobicContact CD-CD1 4.34Å; K73-L77 HydrophobicContact CG-CD1 3.81Å; K73-L77 HydrophobicContact CG-CG 4.31Å; K73-L77 WeakPolarHBondContact O-CG 3.4Å; K73-L77 PolarHBondContact O-N 2.87Å; K73-I139 WeakPolarHBondContact CD-O 3.43Å; K73-I139 WeakPolarHBondContact CE-O 3.25Å; K73-I139 PolarHBondContact NZ-O 2.93Å; K73-E145 WeakPolarHBondContact CE-OE2 3.45Å; K73-E145 IonicContact NZ-OE1 3.67Å; K73-E145 PolarHBondContact NZ-OE1 3.36Å; K73-E145 IonicContact NZ-OE2 2.88Å; K73-E145 PolarHBondContact NZ-OE2 3.11Å |
| 74 | Y | 94.6 | Very high | 95.4 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -50.5 | -44.8 | -176 | -156.6 | -100.8 | 0 | 0 | 0 | 114.3 | L70 H71 A76 L77 K82 I86 | L70-Y74 HydrophobicContact CD1-CD2 4.28Å; L70-Y74 HydrophobicContact CG-CD2 4.4Å; L70-Y74 WeakPolarHBondContact O-CA 3.11Å; L70-Y74 VanDerWaalsContact O-CB 3.29Å; L70-Y74 WeakPolarHBondContact O-CB 3.46Å; L70-Y74 PolarHBondContact O-N 2.9Å; H71-Y74 WeakPolarHBondContact O-CB 3.49Å; H71-Y74 PolarHBondContact O-N 3.48Å; Y74-A76 VanDerWaalsContact C-N 3.29Å; Y74-A76 PolarHBondContact O-N 2.94Å; Y74-L77 PolarHBondContact O-N 3.48Å; Y74-K82 HydrophobicContact CD1-CD 4.26Å; Y74-K82 HydrophobicContact CD2-CG 4.2Å; Y74-K82 HydrophobicContact CE1-CD 3.77Å; Y74-K82 HydrophobicContact CE1-CG 4.36Å; Y74-K82 HydrophobicContact CE2-CB 3.73Å; Y74-K82 HydrophobicContact CE2-CD 4.11Å; Y74-K82 HydrophobicContact CE2-CG 3.8Å; Y74-K82 WeakPolarHBondContact O-CE 3.49Å; Y74-I86 HydrophobicContact CE2-CD1 3.98Å |
| 75 | P | 94.8 | Very high | 95.4 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 71% | 0.714 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -69.1 | -26.6 | -178.6 | -19.3 | 33.7 | 0 | 0 | 0 | 113.7 | K73 | K73-P75 VanDerWaalsContact C-CD 3.44Š|
| 76 | A | 94.3 | Very high | 95.4 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -88.3 | -10.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K73 Y74 L140 | K73-A76 PolarHBondContact O-N 3.18Å; Y74-A76 VanDerWaalsContact C-N 3.29Å; Y74-A76 PolarHBondContact O-N 2.94Å; A76-L140 HydrophobicContact CB-CD1 3.92Å |
| 77 | L | 93.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -83.9 | 143.7 | -178 | -76.7 | 171.3 | 0 | 0 | 0 | 112.2 | L70 K73 Y74 K82 L85 L140 | L70-L77 HydrophobicContact CD1-CD1 4.27Å; K73-L77 HydrophobicContact CD-CD1 4.34Å; K73-L77 HydrophobicContact CG-CD1 3.81Å; K73-L77 HydrophobicContact CG-CG 4.31Å; K73-L77 WeakPolarHBondContact O-CG 3.4Å; K73-L77 PolarHBondContact O-N 2.87Å; Y74-L77 PolarHBondContact O-N 3.48Å; L77-K82 HydrophobicContact CB-CG 4.11Å; L77-K82 WeakPolarHBondContact O-CE 3.49Å; L77-L85 HydrophobicContact CD1-CD1 3.6Å; L77-L140 HydrophobicContact CD2-CD1 4.44Å |
| 78 | P | 94.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | trans | -60.2 | 148.5 | 164.2 | -22.2 | 33.5 | 0 | 0 | 0 | 112.1 | Y80 Y81 K82 | P78-Y80 VanDerWaalsContact C-N 3.33Å; P78-Y80 HydrophobicContact CB-CD1 3.78Å; P78-Y80 HydrophobicContact CB-CE1 3.26Å; P78-Y80 HydrophobicContact CB-CE2 4.42Å; P78-Y80 HydrophobicContact CG-CE1 4.11Å; P78-Y80 PolarHBondContact O-N 3.32Å; P78-Y81 HydrophobicContact CB-CD2 4.29Å; P78-Y81 HydrophobicContact CG-CD2 4.03Å; P78-Y81 PolarHBondContact O-N 3.04Å; P78-K82 PolarHBondContact O-N 3.27Å | ||
| 79 | D | 93.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 63.2 Ų | 63.2 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.1 | -39.5 | -173 | -68.7 | -32.7 | 0 | 0 | 0 | 113.9 | Y81 K82 F83 | D79-Y81 VanDerWaalsContact C-N 3.29Å; D79-Y81 PolarHBondContact O-N 3.4Å; D79-K82 WeakPolarHBondContact O-CB 3.43Å; D79-K82 PolarHBondContact O-N 2.99Å; D79-K82 VanDerWaalsContact O-N 3.15Å; D79-K82 IonicContact OD1-NZ 2.76Å; D79-K82 PolarHBondContact OD1-NZ 2.97Å; D79-F83 WeakPolarHBondContact O-CD2 3.15Å; D79-F83 PolarHBondContact O-N 2.81Å |
| 80 | Y | 94.3 | Very high | 95.5 | Very high | 138 Ų | 138 | 67.3 Ų | 67.3 | 54% | 0.541 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 177.4 | 60.5 | -91.7 | 0 | 0 | 0 | 112.3 | P78 F83 I84 | P78-Y80 VanDerWaalsContact C-N 3.33Å; P78-Y80 HydrophobicContact CB-CD1 3.78Å; P78-Y80 HydrophobicContact CB-CE1 3.26Å; P78-Y80 HydrophobicContact CB-CE2 4.42Å; P78-Y80 HydrophobicContact CG-CE1 4.11Å; P78-Y80 PolarHBondContact O-N 3.32Å; Y80-F83 PolarHBondContact O-N 3.43Å; Y80-I84 HydrophobicContact CD2-CD1 4.36Å; Y80-I84 WeakPolarHBondContact O-CD1 3.39Å; Y80-I84 VanDerWaalsContact O-CG1 3.22Å; Y80-I84 WeakPolarHBondContact O-CG1 3.49Å; Y80-I84 PolarHBondContact O-N 2.88Å |
| 81 | Y | 94.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 69.9 Ų | 69.9 | 13% | 0.129 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.8 | -33 | 175.6 | -86.7 | -58 | 0 | 0 | 0 | 112.5 | P78 D79 I84 L85 F132 N136 A138 I139 | P78-Y81 HydrophobicContact CB-CD2 4.29Å; P78-Y81 HydrophobicContact CG-CD2 4.03Å; P78-Y81 PolarHBondContact O-N 3.04Å; D79-Y81 VanDerWaalsContact C-N 3.29Å; D79-Y81 PolarHBondContact O-N 3.4Å; Y81-I84 HydrophobicContact CD1-CD1 4.42Å; Y81-I84 PolarHBondContact O-N 2.69Å; Y81-L85 WeakPolarHBondContact O-CB 3.29Å; Y81-L85 VanDerWaalsContact O-CG 3.29Å; Y81-L85 WeakPolarHBondContact O-CG 3.34Å; Y81-L85 PolarHBondContact O-N 3.29Å; Y81-F132 HydrophobicContact CE1-CZ 4.23Å; Y81-N136 WeakPolarHBondContact CE1-ND2 3.3Å; Y81-N136 PolarHBondContact OH-ND2 3.45Å; Y81-A138 HydrophobicContact CE2-CB 3.79Å; Y81-A138 VanDerWaalsContact OH-CB 3.31Å; Y81-A138 WeakPolarHBondContact OH-CB 3.45Å; Y81-I139 HydrophobicContact CD1-CG2 3.85Å; Y81-I139 HydrophobicContact CE1-CG2 3.79Å |
| 82 | K | 94.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 63 Ų | 63 | 15% | 0.148 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 174.4 | -61.4 | 173.1 | -172 | 162.2 | 0 | 110.7 | Y74 L77 P78 D79 L85 I86 | Y74-K82 HydrophobicContact CD1-CD 4.26Å; Y74-K82 HydrophobicContact CD2-CG 4.2Å; Y74-K82 HydrophobicContact CE1-CD 3.77Å; Y74-K82 HydrophobicContact CE1-CG 4.36Å; Y74-K82 HydrophobicContact CE2-CB 3.73Å; Y74-K82 HydrophobicContact CE2-CD 4.11Å; Y74-K82 HydrophobicContact CE2-CG 3.8Å; Y74-K82 WeakPolarHBondContact O-CE 3.49Å; L77-K82 HydrophobicContact CB-CG 4.11Å; L77-K82 WeakPolarHBondContact O-CE 3.49Å; P78-K82 PolarHBondContact O-N 3.27Å; D79-K82 WeakPolarHBondContact O-CB 3.43Å; D79-K82 PolarHBondContact O-N 2.99Å; D79-K82 VanDerWaalsContact O-N 3.15Å; D79-K82 IonicContact OD1-NZ 2.76Å; D79-K82 PolarHBondContact OD1-NZ 2.97Å; K82-L85 PolarHBondContact O-N 3.38Å; K82-I86 VanDerWaalsContact O-CG1 3.27Å; K82-I86 WeakPolarHBondContact O-CG1 3.3Å; K82-I86 PolarHBondContact O-N 3.28Å; K82-I86 VanDerWaalsContact O-N 3.08Å |
| 83 | F | 95 | Very high | 95.7 | Very high | 148 Ų | 148 | 60 Ų | 60 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.5 | -48.7 | 177.3 | -71.4 | -71 | 0 | 0 | 0 | 111.6 | D79 Y80 L85 I86 T87 | D79-F83 WeakPolarHBondContact O-CD2 3.15Å; D79-F83 PolarHBondContact O-N 2.81Å; Y80-F83 PolarHBondContact O-N 3.43Å; F83-L85 PolarHBondContact O-N 2.97Å; F83-I86 PolarHBondContact O-N 3.43Å; F83-T87 WeakPolarHBondContact O-CB 3.46Å; F83-T87 PolarHBondContact O-N 2.88Å; F83-T87 PolarHBondContact O-OG1 3.07Å |
| 84 | I | 95.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 179.6 | -69.5 | 165.2 | 0 | 0 | 0 | 111.2 | Y80 Y81 T87 I88 F132 | Y80-I84 HydrophobicContact CD2-CD1 4.36Å; Y80-I84 WeakPolarHBondContact O-CD1 3.39Å; Y80-I84 VanDerWaalsContact O-CG1 3.22Å; Y80-I84 WeakPolarHBondContact O-CG1 3.49Å; Y80-I84 PolarHBondContact O-N 2.88Å; Y81-I84 HydrophobicContact CD1-CD1 4.42Å; Y81-I84 PolarHBondContact O-N 2.69Å; I84-T87 PolarHBondContact O-N 2.77Å; I84-I88 HydrophobicContact CG2-CD1 3.72Å; I84-I88 HydrophobicContact CG2-CG1 4.35Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.42Å; I84-I88 PolarHBondContact O-N 3.2Å; I84-F132 HydrophobicContact CG2-CE1 4.1Å; I84-F132 HydrophobicContact CG2-CZ 4.02Å |
| 85 | L | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | -176.4 | -68.4 | 176.7 | 0 | 0 | 0 | 112.6 | L70 L77 Y81 K82 F83 T87 I88 L89 F132 I139 | L70-L85 HydrophobicContact CD1-CB 3.86Å; L70-L85 HydrophobicContact CD1-CD1 3.76Å; L70-L85 HydrophobicContact CD1-CG 4.49Å; L77-L85 HydrophobicContact CD1-CD1 3.6Å; Y81-L85 WeakPolarHBondContact O-CB 3.29Å; Y81-L85 VanDerWaalsContact O-CG 3.29Å; Y81-L85 WeakPolarHBondContact O-CG 3.34Å; Y81-L85 PolarHBondContact O-N 3.29Å; K82-L85 PolarHBondContact O-N 3.38Å; F83-L85 PolarHBondContact O-N 2.97Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-I88 PolarHBondContact O-N 3.36Å; L85-L89 WeakPolarHBondContact O-CB 3.44Å; L85-L89 PolarHBondContact O-N 3.19Å; L85-F132 HydrophobicContact CD2-CE1 4.43Å; L85-I139 HydrophobicContact CD1-CB 4.34Å; L85-I139 HydrophobicContact CD2-CB 4.46Å; L85-I139 HydrophobicContact CD2-CD1 4.36Å; L85-I139 HydrophobicContact CD2-CG2 4.27Å |
| 86 | I | 97.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 173.4 | -68.4 | 168.3 | 0 | 0 | 0 | 110.2 | L70 Y74 K82 F83 I88 L89 I90 | L70-I86 HydrophobicContact CD2-CG1 4.19Å; Y74-I86 HydrophobicContact CE2-CD1 3.98Å; K82-I86 VanDerWaalsContact O-CG1 3.27Å; K82-I86 WeakPolarHBondContact O-CG1 3.3Å; K82-I86 PolarHBondContact O-N 3.28Å; K82-I86 VanDerWaalsContact O-N 3.08Å; F83-I86 PolarHBondContact O-N 3.43Å; I86-I88 VanDerWaalsContact C-N 3.35Å; I86-I88 PolarHBondContact O-N 3.38Å; I86-L89 PolarHBondContact O-N 3.24Å; I86-I90 HydrophobicContact CG2-CD1 3.98Å; I86-I90 WeakPolarHBondContact O-CG1 3.25Å; I86-I90 PolarHBondContact O-N 3.32Å; I86-I90 VanDerWaalsContact O-N 3.07Å |
| 87 | T | 97.2 | Very high | 96.2 | Very high | 86 Ų | 86 | 55 Ų | 55 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.6 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | F83 I84 L85 I90 L91 | F83-T87 WeakPolarHBondContact O-CB 3.46Å; F83-T87 PolarHBondContact O-N 2.88Å; F83-T87 PolarHBondContact O-OG1 3.07Å; I84-T87 PolarHBondContact O-N 2.77Å; L85-T87 VanDerWaalsContact C-N 3.34Å; T87-I90 PolarHBondContact O-N 3.34Å; T87-L91 WeakPolarHBondContact O-CB 3.27Å; T87-L91 PolarHBondContact O-N 3.42Å |
| 88 | I | 97 | Very high | 96.4 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.3 | -68.3 | 173.1 | 0 | 0 | 0 | 110.7 | I84 L85 I86 I90 L91 M92 L129 F132 Q133 | I84-I88 HydrophobicContact CG2-CD1 3.72Å; I84-I88 HydrophobicContact CG2-CG1 4.35Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.42Å; I84-I88 PolarHBondContact O-N 3.2Å; L85-I88 PolarHBondContact O-N 3.36Å; I86-I88 VanDerWaalsContact C-N 3.35Å; I86-I88 PolarHBondContact O-N 3.38Å; I88-I90 PolarHBondContact O-N 3.3Å; I88-L91 PolarHBondContact O-N 2.9Å; I88-M92 HydrophobicContact CG2-CG 3.76Å; I88-M92 WeakPolarHBondContact O-CB 3.26Å; I88-M92 WeakPolarHBondContact O-CG 3.37Å; I88-M92 PolarHBondContact O-N 2.84Å; I88-L129 HydrophobicContact CD1-CD2 4.41Å; I88-L129 HydrophobicContact CG1-CD2 4.07Å; I88-L129 HydrophobicContact CG2-CD2 4.4Å; I88-F132 HydrophobicContact CD1-CD1 3.44Å; I88-F132 VanDerWaalsContact CD1-CD1 3.44Å; I88-F132 HydrophobicContact CD1-CE1 3.39Å; I88-F132 HydrophobicContact CD1-CG 4.47Å; I88-F132 HydrophobicContact CD1-CZ 4.39Å; I88-Q133 HydrophobicContact CG2-CG 4.37Å; I88-Q133 VanDerWaalsContact CG2-NE2 3.33Å |
| 89 | L | 97.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -48 | 177.7 | 175.1 | 62.3 | 0 | 0 | 0 | 111.6 | W62 E66 V67 L70 L85 I86 T93 | W62-L89 HydrophobicContact CZ3-CD1 4.39Å; E66-L89 HydrophobicContact CB-CD1 4.24Å; E66-L89 HydrophobicContact CG-CD1 3.84Å; V67-L89 HydrophobicContact CG2-CD2 3.79Å; L70-L89 HydrophobicContact CD2-CD2 4.43Å; L85-L89 WeakPolarHBondContact O-CB 3.44Å; L85-L89 PolarHBondContact O-N 3.19Å; I86-L89 PolarHBondContact O-N 3.24Å; L89-T93 WeakPolarHBondContact O-CB 3.26Å; L89-T93 PolarHBondContact O-N 3.35Å; L89-T93 PolarHBondContact O-OG1 2.98Å |
| 90 | I | 97.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 52 Ų | 52 | 57% | 0.569 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65 | -48.8 | 178.5 | -65.1 | 168.2 | 0 | 0 | 0 | 110.5 | I86 T87 I88 T93 L94 | I86-I90 HydrophobicContact CG2-CD1 3.98Å; I86-I90 WeakPolarHBondContact O-CG1 3.25Å; I86-I90 PolarHBondContact O-N 3.32Å; I86-I90 VanDerWaalsContact O-N 3.07Å; T87-I90 PolarHBondContact O-N 3.34Å; I88-I90 PolarHBondContact O-N 3.3Å; I90-T93 PolarHBondContact O-N 2.99Å; I90-L94 PolarHBondContact O-N 2.85Å |
| 91 | L | 97.6 | Very high | 96.8 | Very high | 66 Ų | 66 | 53 Ų | 53 | 35% | 0.346 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | -177.7 | -177.2 | 64.3 | 0 | 0 | 0 | 111.3 | T87 I88 T93 L94 V95 L129 | T87-L91 WeakPolarHBondContact O-CB 3.27Å; T87-L91 PolarHBondContact O-N 3.42Å; I88-L91 PolarHBondContact O-N 2.9Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 2.87Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-V95 HydrophobicContact CD1-CG2 3.99Å; L91-V95 HydrophobicContact CG-CG2 4.24Å; L91-V95 VanDerWaalsContact O-CB 3.32Å; L91-V95 WeakPolarHBondContact O-CB 3.16Å; L91-V95 VanDerWaalsContact O-CG2 3.22Å; L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3.23Å; L91-L129 HydrophobicContact CD2-CD1 3.78Å; L91-L129 HydrophobicContact CG-CD1 4.18Å |
| 92 | M | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 176.1 | -73.9 | -75.7 | -83.4 | 0 | 0 | 111.2 | W62 I88 E96 Q126 L129 I130 L152 | W62-M92 HydrophobicContact CH2-CB 4.07Å; W62-M92 HydrophobicContact CH2-CE 4.45Å; W62-M92 HydrophobicContact CZ2-CE 4.38Å; I88-M92 HydrophobicContact CG2-CG 3.76Å; I88-M92 WeakPolarHBondContact O-CB 3.26Å; I88-M92 WeakPolarHBondContact O-CG 3.37Å; I88-M92 PolarHBondContact O-N 2.84Å; M92-E96 WeakPolarHBondContact O-CB 3.45Å; M92-E96 PolarHBondContact O-N 3.39Å; M92-Q126 HydrophobicContact CE-CG 4.24Å; M92-Q126 VanDerWaalsContact CE-NE2 3.26Å; M92-Q126 HydrophobicContact SD-CG 4.22Å; M92-Q126 PolarHBondContact SD-NE2 3.24Å; M92-Q126 VanDerWaalsContact SD-NE2 3.38Å; M92-L129 HydrophobicContact CE-CB 4.39Å; M92-L129 HydrophobicContact CG-CB 4.23Å; M92-L129 HydrophobicContact CG-CD1 3.99Å; M92-L129 HydrophobicContact SD-CB 3.45Å; M92-L129 WeakPolarHBondContact SD-CB 3.38Å; M92-L129 HydrophobicContact SD-CD1 3.65Å; M92-L129 HydrophobicContact SD-CG 4.2Å; M92-I130 HydrophobicContact CE-CB 4.38Å; M92-I130 HydrophobicContact CE-CD1 4.14Å; M92-L152 HydrophobicContact CE-CD2 4.19Å |
| 93 | T | 97.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -47 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | F59 W63 L89 I90 L91 A97 | F59-T93 HydrophobicContact CE1-CG2 4.16Å; F59-T93 HydrophobicContact CZ-CG2 4.23Å; W63-T93 VanDerWaalsContact CD1-OG1 3.25Å; W63-T93 PolarHBondContact NE1-OG1 3.43Å; L89-T93 WeakPolarHBondContact O-CB 3.26Å; L89-T93 PolarHBondContact O-N 3.35Å; L89-T93 PolarHBondContact O-OG1 2.98Å; I90-T93 PolarHBondContact O-N 2.99Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 2.87Å; T93-A97 PolarHBondContact O-N 3.02Å; T93-A97 VanDerWaalsContact O-N 3.11Å |
| 94 | L | 98.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 50.5 Ų | 50.5 | 56% | 0.555 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.2 | -48.2 | 178.4 | -179 | 66 | 0 | 0 | 0 | 111.5 | I90 L91 A97 I98 | I90-L94 PolarHBondContact O-N 2.85Å; L91-L94 PolarHBondContact O-N 3.36Å; L94-A97 PolarHBondContact O-N 3.47Å; L94-I98 HydrophobicContact CD1-CD1 4.12Å; L94-I98 HydrophobicContact CG-CD1 4.04Å; L94-I98 WeakPolarHBondContact O-CG1 3.23Å; L94-I98 PolarHBondContact O-N 2.98Å; L94-I98 VanDerWaalsContact O-N 3.1Å |
| 95 | V | 97.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | -179.8 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L91 A97 I98 R99 L121 L125 Q126 | L91-V95 HydrophobicContact CD1-CG2 3.99Å; L91-V95 HydrophobicContact CG-CG2 4.24Å; L91-V95 VanDerWaalsContact O-CB 3.32Å; L91-V95 WeakPolarHBondContact O-CB 3.16Å; L91-V95 VanDerWaalsContact O-CG2 3.22Å; L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3.23Å; V95-A97 PolarHBondContact O-N 3.36Å; V95-I98 PolarHBondContact O-N 3.27Å; V95-R99 WeakPolarHBondContact O-CB 3.24Å; V95-R99 PolarHBondContact O-N 3.48Å; V95-L121 HydrophobicContact CG1-CB 4.31Å; V95-L121 HydrophobicContact CG1-CD2 4.39Å; V95-L125 HydrophobicContact CG1-CB 4.04Å; V95-L125 HydrophobicContact CG1-CD1 4.27Å; V95-L125 HydrophobicContact CG2-CB 4.42Å; V95-L125 HydrophobicContact CG2-CD1 3.73Å; V95-Q126 VanDerWaalsContact CG1-OE1 3.23Å |
| 96 | E | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 175.6 | -176.7 | 81.3 | -153.4 | 0 | 0 | 111.6 | N55 F59 M92 I98 R99 L100 Q126 | N55-E96 PolarHBondContact ND2-OE1 2.92Å; F59-E96 HydrophobicContact CD1-CG 4.13Å; F59-E96 HydrophobicContact CD2-CB 4.21Å; F59-E96 HydrophobicContact CD2-CG 3.44Å; F59-E96 VanDerWaalsContact CD2-CG 3.44Å; F59-E96 HydrophobicContact CE1-CB 4.4Å; F59-E96 HydrophobicContact CE1-CG 4.19Å; F59-E96 HydrophobicContact CE2-CB 3.73Å; F59-E96 HydrophobicContact CE2-CG 3.5Å; F59-E96 HydrophobicContact CG-CG 3.78Å; F59-E96 HydrophobicContact CZ-CB 3.87Å; F59-E96 HydrophobicContact CZ-CG 3.91Å; M92-E96 WeakPolarHBondContact O-CB 3.45Å; M92-E96 PolarHBondContact O-N 3.39Å; E96-I98 PolarHBondContact O-N 3.32Å; E96-R99 VanDerWaalsContact CD-NH1 3.27Å; E96-R99 PolarHBondContact O-N 2.87Å; E96-R99 IonicContact OE1-CZ 3.25Å; E96-R99 IonicContact OE1-NH1 2.71Å; E96-R99 IonicContact OE1-NH2 3.47Å; E96-R99 PolarHBondContact OE1-NH2 2.91Å; E96-R99 IonicContact OE2-CZ 3.88Å; E96-R99 IonicContact OE2-NH1 2.87Å; E96-R99 PolarHBondContact OE2-NH1 3Å; E96-R99 IonicContact OE2-NH2 3.15Å; E96-R99 PolarHBondContact OE2-NH2 3.4Å; E96-L100 HydrophobicContact CG-CD1 3.91Å; E96-L100 HydrophobicContact CG-CG 4.26Å; E96-L100 WeakPolarHBondContact O-CB 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.48Å; E96-L100 PolarHBondContact O-N 2.86Å; E96-Q126 PolarHBondContact OE2-NE2 3.47Å |
| 97 | A | 97.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 49% | 0.488 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.2 | -47.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T93 L94 V95 Y101 | T93-A97 PolarHBondContact O-N 3.02Å; T93-A97 VanDerWaalsContact O-N 3.11Å; L94-A97 PolarHBondContact O-N 3.47Å; V95-A97 PolarHBondContact O-N 3.36Å; A97-Y101 PolarHBondContact O-N 2.76Å; A97-Y101 VanDerWaalsContact O-N 3.13Å |
| 98 | I | 97.9 | Very high | 95.9 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 41% | 0.405 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.5 | -64.3 | 168.7 | 0 | 0 | 0 | 110.2 | L94 V95 E96 Y101 L102 L121 | L94-I98 HydrophobicContact CD1-CD1 4.12Å; L94-I98 HydrophobicContact CG-CD1 4.04Å; L94-I98 WeakPolarHBondContact O-CG1 3.23Å; L94-I98 PolarHBondContact O-N 2.98Å; L94-I98 VanDerWaalsContact O-N 3.1Å; V95-I98 PolarHBondContact O-N 3.27Å; E96-I98 PolarHBondContact O-N 3.32Å; I98-Y101 PolarHBondContact O-N 2.97Å; I98-L102 HydrophobicContact CG2-CD1 3.91Å; I98-L102 HydrophobicContact CG2-CG 4.25Å; I98-L102 WeakPolarHBondContact O-CB 3.16Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 3.41Å; I98-L121 HydrophobicContact CB-CD1 4.46Å; I98-L121 HydrophobicContact CG2-CD1 3.8Å |
| 99 | R | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -50.8 | -179.4 | -172.7 | -177 | 91.7 | -111.3 | -2.7 | 110.9 | N55 V95 E96 Y101 L102 G103 F118 L121 S122 Q126 | N55-R99 PolarHBondContact ND2-NH2 3.48Å; N55-R99 VanDerWaalsContact ND2-NH2 3.11Å; V95-R99 WeakPolarHBondContact O-CB 3.24Å; V95-R99 PolarHBondContact O-N 3.48Å; E96-R99 VanDerWaalsContact CD-NH1 3.27Å; E96-R99 PolarHBondContact O-N 2.87Å; E96-R99 IonicContact OE1-CZ 3.25Å; E96-R99 IonicContact OE1-NH1 2.71Å; E96-R99 IonicContact OE1-NH2 3.47Å; E96-R99 PolarHBondContact OE1-NH2 2.91Å; E96-R99 IonicContact OE2-CZ 3.88Å; E96-R99 IonicContact OE2-NH1 2.87Å; E96-R99 PolarHBondContact OE2-NH1 3Å; E96-R99 IonicContact OE2-NH2 3.15Å; E96-R99 PolarHBondContact OE2-NH2 3.4Å; R99-Y101 VanDerWaalsContact C-N 3.29Å; R99-Y101 PolarHBondContact O-N 2.76Å; R99-L102 PolarHBondContact O-N 3.3Å; R99-G103 PolarHBondContact O-N 2.71Å; R99-F118 HydrophobicContact CB-CD2 4.48Å; R99-F118 HydrophobicContact CG-CD2 3.34Å; R99-F118 HydrophobicContact CG-CE2 3.61Å; R99-F118 HydrophobicContact CG-CG 4.38Å; R99-F118 VanDerWaalsContact O-CD2 3.22Å; R99-F118 WeakPolarHBondContact O-CD2 3.35Å; R99-L121 HydrophobicContact CB-CB 4.42Å; R99-L121 HydrophobicContact CB-CD1 4.36Å; R99-L121 HydrophobicContact CG-CB 4.33Å; R99-S122 WeakPolarHBondContact CD-OG 3.32Å; R99-Q126 VanDerWaalsContact NH1-CG 3.27Å |
| 100 | L | 96.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 177.9 | -74.5 | 175.2 | 0 | 0 | 0 | 111.8 | L52 N55 M56 E96 Y104 | L52-L100 HydrophobicContact CD2-CD2 3.8Å; N55-L100 HydrophobicContact CB-CD2 4.43Å; M56-L100 HydrophobicContact CB-CD1 4.22Å; E96-L100 HydrophobicContact CG-CD1 3.91Å; E96-L100 HydrophobicContact CG-CG 4.26Å; E96-L100 WeakPolarHBondContact O-CB 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.48Å; E96-L100 PolarHBondContact O-N 2.86Å; L100-Y104 WeakPolarHBondContact O-CB 3.17Å; L100-Y104 PolarHBondContact O-N 2.85Å |
| 101 | Y | 96.3 | Very high | 94.3 | Very high | 160 Ų | 160 | 50.8 Ų | 50.8 | 63% | 0.627 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.2 | -51.6 | 175 | 171.3 | -98.4 | 0 | 0 | 0 | 112.1 | A97 I98 R99 G103 Y104 A105 | A97-Y101 PolarHBondContact O-N 2.76Å; A97-Y101 VanDerWaalsContact O-N 3.13Å; I98-Y101 PolarHBondContact O-N 2.97Å; R99-Y101 VanDerWaalsContact C-N 3.29Å; R99-Y101 PolarHBondContact O-N 2.76Å; Y101-G103 PolarHBondContact O-N 3.11Å; Y101-Y104 PolarHBondContact O-N 3.45Å; Y101-A105 VanDerWaalsContact O-CB 3.29Å; Y101-A105 WeakPolarHBondContact O-CB 3.44Å; Y101-A105 PolarHBondContact O-N 2.87Å |
| 102 | L | 96.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | -179.5 | -71 | 179.9 | 0 | 0 | 0 | 112.3 | I98 R99 G106 E114 F118 L121 | I98-L102 HydrophobicContact CG2-CD1 3.91Å; I98-L102 HydrophobicContact CG2-CG 4.25Å; I98-L102 WeakPolarHBondContact O-CB 3.16Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 3.41Å; R99-L102 PolarHBondContact O-N 3.3Å; L102-G106 WeakPolarHBondContact O-CA 3.22Å; L102-G106 PolarHBondContact O-N 3.11Å; L102-E114 HydrophobicContact CD2-CB 4.04Å; L102-E114 HydrophobicContact CD2-CG 3.95Å; L102-F118 HydrophobicContact CB-CB 4.01Å; L102-L121 HydrophobicContact CD1-CD1 3.9Å |
| 103 | G | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L52 R99 Y101 N107 F118 | L52-G103 VanDerWaalsContact CD1-C 3.42Å; R99-G103 PolarHBondContact O-N 2.71Å; Y101-G103 PolarHBondContact O-N 3.11Å; G103-N107 WeakPolarHBondContact O-CB 3.43Å; G103-N107 PolarHBondContact O-N 2.62Å; G103-F118 VanDerWaalsContact CA-CD2 3.49Å |
| 104 | Y | 94.2 | Very high | 93.6 | Very high | 132 Ų | 132 | 54.4 Ų | 54.4 | 52% | 0.518 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.2 | -53.6 | 177.2 | -175.2 | -95.5 | 0 | 0 | 0 | 111.3 | Q49 L100 Y101 L108 | Q49-Y104 VanDerWaalsContact OE1-CD2 3.28Å; L100-Y104 WeakPolarHBondContact O-CB 3.17Å; L100-Y104 PolarHBondContact O-N 2.85Å; Y101-Y104 PolarHBondContact O-N 3.45Å; Y104-L108 HydrophobicContact CD1-CD1 4.31Å; Y104-L108 HydrophobicContact CD2-CD1 3.87Å; Y104-L108 HydrophobicContact CE1-CD1 4.14Å; Y104-L108 HydrophobicContact CE1-CD2 3.88Å; Y104-L108 HydrophobicContact CE2-CD1 3.67Å; Y104-L108 HydrophobicContact CE2-CD2 4.29Å; Y104-L108 HydrophobicContact CG-CD1 4.19Å; Y104-L108 VanDerWaalsContact O-CD1 3.28Å; Y104-L108 WeakPolarHBondContact O-CD1 3.05Å; Y104-L108 PolarHBondContact O-N 3.07Å; Y104-L108 WeakPolarHBondContact OH-CD2 3.33Å |
| 105 | A | 92.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -47.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y101 N107 Q109 | Y101-A105 VanDerWaalsContact O-CB 3.29Å; Y101-A105 WeakPolarHBondContact O-CB 3.44Å; Y101-A105 PolarHBondContact O-N 2.87Å; A105-N107 VanDerWaalsContact C-N 3.34Å; A105-N107 PolarHBondContact O-N 3.29Å; A105-Q109 WeakPolarHBondContact O-CB 3.41Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.85Å |
| 106 | G | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L102 E110 K111 | L102-G106 WeakPolarHBondContact O-CA 3.22Å; L102-G106 PolarHBondContact O-N 3.11Å; G106-E110 CarbonylContact O-C 3.48Å; G106-E110 VanDerWaalsContact O-CA 3.27Å; G106-E110 WeakPolarHBondContact O-CA 3.45Å; G106-E110 PolarHBondContact O-N 2.68Å; G106-E110 VanDerWaalsContact O-N 3.13Å; G106-K111 PolarHBondContact O-N 3.02Å |
| 107 | N | 92.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -82.5 | -33.7 | -180 | -172.4 | 51.2 | 0 | 0 | 0 | 113.3 | S44 S45 L48 Q49 G103 A105 L115 | S44-N107 WeakPolarHBondContact CB-O 3.48Å; S45-N107 PolarHBondContact N-OD1 3.37Å; S45-N107 PolarHBondContact O-ND2 3.49Å; S45-N107 PolarHBondContact OG-ND2 3.42Å; S45-N107 PolarHBondContact OG-OD1 3.23Å; L48-N107 HydrophobicContact CD2-CB 3.98Å; Q49-N107 WeakPolarHBondContact CG-ND2 3.34Å; Q49-N107 PolarHBondContact NE2-ND2 2.97Å; G103-N107 WeakPolarHBondContact O-CB 3.43Å; G103-N107 PolarHBondContact O-N 2.62Å; A105-N107 VanDerWaalsContact C-N 3.34Å; A105-N107 PolarHBondContact O-N 3.29Å; N107-L115 HydrophobicContact CB-CD1 4.38Å |
| 108 | L | 88 | Confident | 93.2 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 43% | 0.429 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.5 | -41.6 | 174.6 | -95.8 | 80.5 | 0 | 0 | 0 | 112.3 | Q49 Y104 E110 | Q49-L108 HydrophobicContact CG-CD1 4.17Å; Y104-L108 HydrophobicContact CD1-CD1 4.31Å; Y104-L108 HydrophobicContact CD2-CD1 3.87Å; Y104-L108 HydrophobicContact CE1-CD1 4.14Å; Y104-L108 HydrophobicContact CE1-CD2 3.88Å; Y104-L108 HydrophobicContact CE2-CD1 3.67Å; Y104-L108 HydrophobicContact CE2-CD2 4.29Å; Y104-L108 HydrophobicContact CG-CD1 4.19Å; Y104-L108 VanDerWaalsContact O-CD1 3.28Å; Y104-L108 WeakPolarHBondContact O-CD1 3.05Å; Y104-L108 PolarHBondContact O-N 3.07Å; Y104-L108 WeakPolarHBondContact OH-CD2 3.33Å; L108-E110 VanDerWaalsContact C-N 3.3Å |
| 109 | Q | 87 | Confident | 93.1 | Very high | 109 Ų | 109 | 48.5 Ų | 48.5 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 5.5 | -173.7 | -56 | 175.7 | 0.5 | 0 | 0 | 111.7 | A105 K111 | A105-Q109 WeakPolarHBondContact O-CB 3.41Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.85Å; Q109-K111 HydrophobicContact CB-CD 4.13Å; Q109-K111 HydrophobicContact CB-CG 3.79Å; Q109-K111 WeakPolarHBondContact O-CG 3.48Å; Q109-K111 PolarHBondContact O-N 3.14Å; Q109-K111 VanDerWaalsContact O-N 3.11Å |
| 110 | E | 84.5 | Confident | 93.1 | Very high | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 35.4 | -179.1 | -59.1 | -177.7 | 167.2 | 0 | 0 | 113.1 | V43 S44 G106 L108 V112 M170 | V43-E110 PolarHBondContact N-OE1 3.32Å; S44-E110 PolarHBondContact N-OE1 3.32Å; G106-E110 CarbonylContact O-C 3.48Å; G106-E110 VanDerWaalsContact O-CA 3.27Å; G106-E110 WeakPolarHBondContact O-CA 3.45Å; G106-E110 PolarHBondContact O-N 2.68Å; G106-E110 VanDerWaalsContact O-N 3.13Å; L108-E110 VanDerWaalsContact C-N 3.3Å; E110-V112 PolarHBondContact O-N 3.31Å; E110-M170 VanDerWaalsContact C-CE 3.45Å; E110-M170 HydrophobicContact CB-SD 4.47Å; E110-M170 WeakPolarHBondContact O-CE 3.02Å |
| 111 | K | 88.3 | Confident | 93.1 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | trans | -90.9 | 107.9 | -177.7 | -57.4 | -175.6 | 177.7 | 164.3 | 0 | 111.1 | G106 Q109 P113 E114 L115 | G106-K111 PolarHBondContact O-N 3.02Å; Q109-K111 HydrophobicContact CB-CD 4.13Å; Q109-K111 HydrophobicContact CB-CG 3.79Å; Q109-K111 WeakPolarHBondContact O-CG 3.48Å; Q109-K111 PolarHBondContact O-N 3.14Å; Q109-K111 VanDerWaalsContact O-N 3.11Å; K111-P113 VanDerWaalsContact C-CD 3.49Å; K111-E114 HydrophobicContact CB-CB 4.3Å; K111-E114 HydrophobicContact CB-CG 4.37Å; K111-E114 WeakPolarHBondContact CB-OE2 3.35Å; K111-E114 VanDerWaalsContact CD-CD 3.45Å; K111-E114 HydrophobicContact CD-CG 4.45Å; K111-E114 WeakPolarHBondContact CD-OE1 3.26Å; K111-E114 IonicContact NZ-OE1 3.65Å; K111-E114 PolarHBondContact O-N 3.35Å; K111-L115 PolarHBondContact O-N 3.06Å; K111-L115 VanDerWaalsContact O-N 3.1Å | ||
| 112 | V | 89.3 | Confident | 93.1 | Very high | 34 Ų | 34 | 46 Ų | 46 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.6 | -46.2 | -179.1 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | E110 E114 L115 A116 L167 M170 V171 | E110-V112 PolarHBondContact O-N 3.31Å; V112-E114 PolarHBondContact O-N 3.3Å; V112-L115 PolarHBondContact O-N 3.42Å; V112-A116 VanDerWaalsContact O-CB 3.3Å; V112-A116 WeakPolarHBondContact O-CB 3.24Å; V112-A116 PolarHBondContact O-N 2.9Å; V112-L167 HydrophobicContact CG1-CD1 3.97Å; V112-M170 VanDerWaalsContact CA-CE 3.48Å; V112-M170 HydrophobicContact CB-CE 4.23Å; V112-M170 HydrophobicContact CG2-CB 3.88Å; V112-M170 HydrophobicContact CG2-CE 3.76Å; V112-M170 VanDerWaalsContact N-CE 3.32Å; V112-V171 HydrophobicContact CG1-CG2 3.79Å |
| 113 | P | 91.9 | Very high | 93 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63 | -42.7 | -177.8 | -22 | 34.5 | 0 | 0 | 0 | 113 | K111 A116 G117 | K111-P113 VanDerWaalsContact C-CD 3.49Å; P113-A116 PolarHBondContact O-N 3.28Å; P113-G117 PolarHBondContact O-N 3.31Å |
| 114 | E | 94.6 | Very high | 93 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 179.6 | -72.4 | 84.4 | 154.7 | 0 | 0 | 110.9 | L102 K111 V112 A116 G117 F118 | L102-E114 HydrophobicContact CD2-CB 4.04Å; L102-E114 HydrophobicContact CD2-CG 3.95Å; K111-E114 HydrophobicContact CB-CB 4.3Å; K111-E114 HydrophobicContact CB-CG 4.37Å; K111-E114 WeakPolarHBondContact CB-OE2 3.35Å; K111-E114 VanDerWaalsContact CD-CD 3.45Å; K111-E114 HydrophobicContact CD-CG 4.45Å; K111-E114 WeakPolarHBondContact CD-OE1 3.26Å; K111-E114 IonicContact NZ-OE1 3.65Å; K111-E114 PolarHBondContact O-N 3.35Å; V112-E114 PolarHBondContact O-N 3.3Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3Å; E114-G117 PolarHBondContact O-N 3.08Å; E114-F118 PolarHBondContact O-N 3.4Å |
| 115 | L | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 177.7 | -169.2 | 64.9 | 0 | 0 | 0 | 112.2 | L48 N107 K111 V112 F118 W119 A166 L167 M170 | L48-L115 HydrophobicContact CD2-CD1 3.91Å; N107-L115 HydrophobicContact CB-CD1 4.38Å; K111-L115 PolarHBondContact O-N 3.06Å; K111-L115 VanDerWaalsContact O-N 3.1Å; V112-L115 PolarHBondContact O-N 3.42Å; L115-F118 HydrophobicContact CD1-CD1 4.01Å; L115-F118 WeakPolarHBondContact O-CB 3.45Å; L115-F118 PolarHBondContact O-N 3.18Å; L115-W119 WeakPolarHBondContact O-CB 3.37Å; L115-W119 PolarHBondContact O-N 3.47Å; L115-A166 HydrophobicContact CD2-CB 3.82Å; L115-L167 HydrophobicContact CB-CD1 4.3Å; L115-L167 HydrophobicContact CD2-CB 4.11Å; L115-L167 HydrophobicContact CD2-CD1 4.4Å; L115-L167 HydrophobicContact CG-CB 4.46Å; L115-L167 HydrophobicContact CG-CD1 4.41Å; L115-M170 HydrophobicContact CB-CE 4.04Å; L115-M170 HydrophobicContact CD2-CE 3.73Å; L115-M170 HydrophobicContact CD2-SD 3.47Å; L115-M170 WeakPolarHBondContact CD2-SD 3.18Å |
| 116 | A | 94.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V112 P113 E114 W119 L120 L167 | V112-A116 VanDerWaalsContact O-CB 3.3Å; V112-A116 WeakPolarHBondContact O-CB 3.24Å; V112-A116 PolarHBondContact O-N 2.9Å; P113-A116 PolarHBondContact O-N 3.28Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3Å; A116-W119 PolarHBondContact O-N 2.66Å; A116-L120 WeakPolarHBondContact O-CB 3.43Å; A116-L120 PolarHBondContact O-N 3.39Å; A116-L167 HydrophobicContact CB-CD1 4.05Å; A116-L167 HydrophobicContact CB-CD2 4.3Å |
| 117 | G | 96.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 22% | 0.216 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | P113 E114 W119 L120 L121 | P113-G117 PolarHBondContact O-N 3.31Å; E114-G117 PolarHBondContact O-N 3.08Å; G117-W119 VanDerWaalsContact C-N 3.34Å; G117-W119 PolarHBondContact O-N 3.18Å; G117-L120 PolarHBondContact O-N 2.76Å; G117-L121 WeakPolarHBondContact O-CB 3.44Å; G117-L121 VanDerWaalsContact O-CG 3.25Å; G117-L121 WeakPolarHBondContact O-CG 3.29Å; G117-L121 PolarHBondContact O-N 2.97Å |
| 118 | F | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.4 | -49.5 | 171.8 | 165 | -101.5 | 0 | 0 | 0 | 112.5 | L48 L52 R99 L102 G103 E114 L115 L121 S122 Q159 | L48-F118 HydrophobicContact CD1-CE1 3.83Å; L48-F118 HydrophobicContact CD1-CZ 3.88Å; L52-F118 HydrophobicContact CD2-CE2 3.59Å; L52-F118 HydrophobicContact CD2-CZ 3.87Å; R99-F118 HydrophobicContact CB-CD2 4.48Å; R99-F118 HydrophobicContact CG-CD2 3.34Å; R99-F118 HydrophobicContact CG-CE2 3.61Å; R99-F118 HydrophobicContact CG-CG 4.38Å; R99-F118 VanDerWaalsContact O-CD2 3.22Å; R99-F118 WeakPolarHBondContact O-CD2 3.35Å; L102-F118 HydrophobicContact CB-CB 4.01Å; G103-F118 VanDerWaalsContact CA-CD2 3.49Å; E114-F118 PolarHBondContact O-N 3.4Å; L115-F118 HydrophobicContact CD1-CD1 4.01Å; L115-F118 WeakPolarHBondContact O-CB 3.45Å; L115-F118 PolarHBondContact O-N 3.18Å; F118-L121 PolarHBondContact O-N 2.93Å; F118-S122 PolarHBondContact O-N 3.13Å; F118-S122 PolarHBondContact O-OG 3.35Å; F118-Q159 HydrophobicContact CE1-CB 4.45Å; F118-Q159 HydrophobicContact CZ-CB 3.79Å; F118-Q159 HydrophobicContact CZ-CG 4.11Å |
| 119 | W | 96.6 | Very high | 93.9 | Very high | 71 Ų | 71 | 52.9 Ų | 52.9 | 27% | 0.269 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | -177.9 | -170.3 | 82.8 | 0 | 0 | 0 | 111.9 | L115 A116 G117 S122 L123 A160 F164 | L115-W119 WeakPolarHBondContact O-CB 3.37Å; L115-W119 PolarHBondContact O-N 3.47Å; A116-W119 PolarHBondContact O-N 2.66Å; G117-W119 VanDerWaalsContact C-N 3.34Å; G117-W119 PolarHBondContact O-N 3.18Å; W119-S122 WeakPolarHBondContact O-CB 3.22Å; W119-S122 PolarHBondContact O-N 2.89Å; W119-L123 HydrophobicContact CD2-CD1 4Å; W119-L123 HydrophobicContact CE3-CD1 4.06Å; W119-L123 HydrophobicContact CH2-CD1 3.34Å; W119-L123 HydrophobicContact CZ2-CD1 3.23Å; W119-L123 HydrophobicContact CZ2-CG 4.42Å; W119-L123 HydrophobicContact CZ3-CD1 3.75Å; W119-L123 PolarHBondContact O-N 3.44Å; W119-L123 VanDerWaalsContact O-N 3.11Å; W119-A160 PolarHBondContact NE1-O 3.34Å; W119-F164 AromaticContact CE2-CD2 3.96Å; W119-F164 AromaticContact CZ2-CD2 3.72Å; W119-F164 HydrophobicContact CZ2-CD2 3.72Å; W119-F164 HydrophobicContact CZ2-CE2 4.38Å; W119-F164 HydrophobicContact CZ2-CG 4.5Å |
| 120 | L | 96.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 47.7 Ų | 47.7 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.1 | -177.7 | 64.7 | 0 | 0 | 0 | 111.7 | A116 G117 S122 L123 L124 | A116-L120 WeakPolarHBondContact O-CB 3.43Å; A116-L120 PolarHBondContact O-N 3.39Å; G117-L120 PolarHBondContact O-N 2.76Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 3.34Å; L120-L123 PolarHBondContact O-N 3.43Å; L120-L124 HydrophobicContact CD1-CB 4.19Å; L120-L124 HydrophobicContact CD1-CD2 4.1Å; L120-L124 HydrophobicContact CG-CD2 4.48Å; L120-L124 WeakPolarHBondContact O-CB 3.19Å; L120-L124 PolarHBondContact O-N 3.28Å |
| 121 | L | 96.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 176.9 | -69.1 | 173.9 | 0 | 0 | 0 | 111.7 | V95 I98 R99 L102 G117 F118 L125 Q126 | V95-L121 HydrophobicContact CG1-CB 4.31Å; V95-L121 HydrophobicContact CG1-CD2 4.39Å; I98-L121 HydrophobicContact CB-CD1 4.46Å; I98-L121 HydrophobicContact CG2-CD1 3.8Å; R99-L121 HydrophobicContact CB-CB 4.42Å; R99-L121 HydrophobicContact CB-CD1 4.36Å; R99-L121 HydrophobicContact CG-CB 4.33Å; L102-L121 HydrophobicContact CD1-CD1 3.9Å; G117-L121 WeakPolarHBondContact O-CB 3.44Å; G117-L121 VanDerWaalsContact O-CG 3.25Å; G117-L121 WeakPolarHBondContact O-CG 3.29Å; G117-L121 PolarHBondContact O-N 2.97Å; F118-L121 PolarHBondContact O-N 2.93Å; L121-L125 HydrophobicContact CD2-CD1 3.68Å; L121-L125 HydrophobicContact CD2-CG 4.47Å; L121-L125 PolarHBondContact O-N 2.9Å; L121-Q126 PolarHBondContact O-N 3.3Å |
| 122 | S | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -59.7 | -50.9 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | R99 F118 W119 L120 F127 | R99-S122 WeakPolarHBondContact CD-OG 3.32Å; F118-S122 PolarHBondContact O-N 3.13Å; F118-S122 PolarHBondContact O-OG 3.35Å; W119-S122 WeakPolarHBondContact O-CB 3.22Å; W119-S122 PolarHBondContact O-N 2.89Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 3.34Å; S122-F127 VanDerWaalsContact O-CB 3.26Å; S122-F127 WeakPolarHBondContact O-CB 3.44Å; S122-F127 PolarHBondContact O-N 2.89Å |
| 123 | L | 94.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -83.1 | -36.9 | -173.8 | -72 | -174.8 | 0 | 0 | 0 | 114.4 | W119 L120 P128 A160 | W119-L123 HydrophobicContact CD2-CD1 4Å; W119-L123 HydrophobicContact CE3-CD1 4.06Å; W119-L123 HydrophobicContact CH2-CD1 3.34Å; W119-L123 HydrophobicContact CZ2-CD1 3.23Å; W119-L123 HydrophobicContact CZ2-CG 4.42Å; W119-L123 HydrophobicContact CZ3-CD1 3.75Å; W119-L123 PolarHBondContact O-N 3.44Å; W119-L123 VanDerWaalsContact O-N 3.11Å; L120-L123 PolarHBondContact O-N 3.43Å; L123-P128 VanDerWaalsContact O-CD 3.25Å; L123-P128 WeakPolarHBondContact O-CD 3.07Å; L123-A160 HydrophobicContact CD2-CB 4.22Å |
| 124 | L | 95 | Very high | 95.7 | Very high | 111 Ų | 111 | 39.9 Ų | 39.9 | 58% | 0.581 | 21% | 0.212 | S | C | * | . | I | π-helix | trans | -89.2 | -35.9 | -171.2 | -171.5 | 64 | 0 | 0 | 0 | 112.5 | L120 P128 | L120-L124 HydrophobicContact CD1-CB 4.19Å; L120-L124 HydrophobicContact CD1-CD2 4.1Å; L120-L124 HydrophobicContact CG-CD2 4.48Å; L120-L124 WeakPolarHBondContact O-CB 3.19Å; L120-L124 PolarHBondContact O-N 3.28Å; L124-P128 WeakPolarHBondContact O-CG 3.45Å |
| 125 | L | 95.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 44 Ų | 44 | 32% | 0.319 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -108.3 | -57.7 | -177.3 | -62.9 | -175.7 | 0 | 0 | 0 | 111.4 | V95 L121 F127 P128 L129 | V95-L125 HydrophobicContact CG1-CB 4.04Å; V95-L125 HydrophobicContact CG1-CD1 4.27Å; V95-L125 HydrophobicContact CG2-CB 4.42Å; V95-L125 HydrophobicContact CG2-CD1 3.73Å; L121-L125 HydrophobicContact CD2-CD1 3.68Å; L121-L125 HydrophobicContact CD2-CG 4.47Å; L121-L125 PolarHBondContact O-N 2.9Å; L125-F127 PolarHBondContact O-N 3.49Å; L125-P128 WeakPolarHBondContact O-CD 3.07Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 WeakPolarHBondContact O-CD1 3.45Å; L125-L129 WeakPolarHBondContact O-CG 3.46Å; L125-L129 PolarHBondContact O-N 3.42Å |
| 126 | Q | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -67.4 | -43.9 | -170.9 | -152.9 | 77.3 | 8.2 | 0 | 0 | 112.4 | M92 V95 E96 R99 L121 L129 I130 I156 | M92-Q126 HydrophobicContact CE-CG 4.24Å; M92-Q126 VanDerWaalsContact CE-NE2 3.26Å; M92-Q126 HydrophobicContact SD-CG 4.22Å; M92-Q126 PolarHBondContact SD-NE2 3.24Å; M92-Q126 VanDerWaalsContact SD-NE2 3.38Å; V95-Q126 VanDerWaalsContact CG1-OE1 3.23Å; E96-Q126 PolarHBondContact OE2-NE2 3.47Å; R99-Q126 VanDerWaalsContact NH1-CG 3.27Å; L121-Q126 PolarHBondContact O-N 3.3Å; Q126-L129 PolarHBondContact O-N 2.88Å; Q126-I130 PolarHBondContact O-N 3.21Å; Q126-I156 HydrophobicContact CB-CD1 4.18Å; Q126-I156 HydrophobicContact CG-CD1 3.34Å; Q126-I156 HydrophobicContact CG-CG1 3.97Å |
| 127 | F | 94.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 50 Ų | 50 | 26% | 0.263 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | -176 | -174.2 | -107.9 | 0 | 0 | 0 | 113.3 | S122 L125 L129 I130 L131 L157 | S122-F127 VanDerWaalsContact O-CB 3.26Å; S122-F127 WeakPolarHBondContact O-CB 3.44Å; S122-F127 PolarHBondContact O-N 2.89Å; L125-F127 PolarHBondContact O-N 3.49Å; F127-L129 VanDerWaalsContact C-N 3.33Å; F127-L129 PolarHBondContact O-N 3.4Å; F127-I130 HydrophobicContact CD2-CG2 4.44Å; F127-I130 VanDerWaalsContact O-CG2 3.27Å; F127-I130 WeakPolarHBondContact O-CG2 3.2Å; F127-I130 PolarHBondContact O-N 2.98Å; F127-L131 HydrophobicContact CD1-CD1 3.83Å; F127-L131 HydrophobicContact CD1-CG 4.43Å; F127-L131 HydrophobicContact CE1-CD1 3.4Å; F127-L131 HydrophobicContact CE1-CG 4.18Å; F127-L131 HydrophobicContact CE2-CD1 4.35Å; F127-L131 HydrophobicContact CE2-CD2 4.24Å; F127-L131 HydrophobicContact CE2-CG 4.28Å; F127-L131 HydrophobicContact CG-CD1 4.48Å; F127-L131 HydrophobicContact CZ-CD1 3.69Å; F127-L131 HydrophobicContact CZ-CD2 4.08Å; F127-L131 HydrophobicContact CZ-CG 4.09Å; F127-L131 VanDerWaalsContact O-CG 3.24Å; F127-L131 WeakPolarHBondContact O-CG 3.31Å; F127-L131 PolarHBondContact O-N 3.45Å; F127-L157 HydrophobicContact CD2-CD2 4.45Å; F127-L157 HydrophobicContact CE2-CD2 3.83Å; F127-L157 HydrophobicContact CE2-CG 4.49Å |
| 128 | P | 96.1 | Very high | 95 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 176.6 | -26 | 37.9 | 0 | 0 | 0 | 113 | L123 L124 L125 L131 F132 | L123-P128 VanDerWaalsContact O-CD 3.25Å; L123-P128 WeakPolarHBondContact O-CD 3.07Å; L124-P128 WeakPolarHBondContact O-CG 3.45Å; L125-P128 WeakPolarHBondContact O-CD 3.07Å; P128-L131 PolarHBondContact O-N 2.91Å; P128-F132 WeakPolarHBondContact O-CB 3.44Å; P128-F132 PolarHBondContact O-N 3.3Å |
| 129 | L | 96.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 178.7 | -69.3 | 174.8 | 0 | 0 | 0 | 112 | I88 L91 M92 L125 Q126 F127 L131 F132 Q133 | I88-L129 HydrophobicContact CD1-CD2 4.41Å; I88-L129 HydrophobicContact CG1-CD2 4.07Å; I88-L129 HydrophobicContact CG2-CD2 4.4Å; L91-L129 HydrophobicContact CD2-CD1 3.78Å; L91-L129 HydrophobicContact CG-CD1 4.18Å; M92-L129 HydrophobicContact CE-CB 4.39Å; M92-L129 HydrophobicContact CG-CB 4.23Å; M92-L129 HydrophobicContact CG-CD1 3.99Å; M92-L129 HydrophobicContact SD-CB 3.45Å; M92-L129 WeakPolarHBondContact SD-CB 3.38Å; M92-L129 HydrophobicContact SD-CD1 3.65Å; M92-L129 HydrophobicContact SD-CG 4.2Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 WeakPolarHBondContact O-CD1 3.45Å; L125-L129 WeakPolarHBondContact O-CG 3.46Å; L125-L129 PolarHBondContact O-N 3.42Å; Q126-L129 PolarHBondContact O-N 2.88Å; F127-L129 VanDerWaalsContact C-N 3.33Å; F127-L129 PolarHBondContact O-N 3.4Å; L129-L131 VanDerWaalsContact C-N 3.35Å; L129-F132 WeakPolarHBondContact O-CB 3.25Å; L129-F132 PolarHBondContact O-N 3.19Å; L129-Q133 PolarHBondContact O-N 2.83Å; L129-Q133 VanDerWaalsContact O-N 3.1Å |
| 130 | I | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 176.5 | -158.9 | 62.6 | 0 | 0 | 0 | 111.6 | M92 Q126 F127 Q133 L134 H149 L152 A153 I156 | M92-I130 HydrophobicContact CE-CB 4.38Å; M92-I130 HydrophobicContact CE-CD1 4.14Å; Q126-I130 PolarHBondContact O-N 3.21Å; F127-I130 HydrophobicContact CD2-CG2 4.44Å; F127-I130 VanDerWaalsContact O-CG2 3.27Å; F127-I130 WeakPolarHBondContact O-CG2 3.2Å; F127-I130 PolarHBondContact O-N 2.98Å; I130-Q133 PolarHBondContact O-N 2.83Å; I130-L134 HydrophobicContact CG1-CD1 4.19Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 WeakPolarHBondContact O-CG 3.45Å; I130-L134 PolarHBondContact O-N 3.19Å; I130-H149 HydrophobicContact CD1-CB 3.68Å; I130-H149 WeakPolarHBondContact CD1-ND1 3.17Å; I130-H149 HydrophobicContact CG1-CB 4.36Å; I130-L152 HydrophobicContact CD1-CB 4.38Å; I130-L152 HydrophobicContact CD1-CD2 3.95Å; I130-L152 HydrophobicContact CD1-CG 4.41Å; I130-A153 HydrophobicContact CG1-CB 4.12Å; I130-A153 HydrophobicContact CG2-CB 4.31Å; I130-I156 HydrophobicContact CB-CD1 4.41Å; I130-I156 HydrophobicContact CG2-CD1 4.19Å |
| 131 | L | 95.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 49 Ų | 49 | 31% | 0.314 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 173.3 | -69.7 | 179.9 | 0 | 0 | 0 | 111.6 | F127 P128 L129 Q133 L134 F135 | F127-L131 HydrophobicContact CD1-CD1 3.83Å; F127-L131 HydrophobicContact CD1-CG 4.43Å; F127-L131 HydrophobicContact CE1-CD1 3.4Å; F127-L131 HydrophobicContact CE1-CG 4.18Å; F127-L131 HydrophobicContact CE2-CD1 4.35Å; F127-L131 HydrophobicContact CE2-CD2 4.24Å; F127-L131 HydrophobicContact CE2-CG 4.28Å; F127-L131 HydrophobicContact CG-CD1 4.48Å; F127-L131 HydrophobicContact CZ-CD1 3.69Å; F127-L131 HydrophobicContact CZ-CD2 4.08Å; F127-L131 HydrophobicContact CZ-CG 4.09Å; F127-L131 VanDerWaalsContact O-CG 3.24Å; F127-L131 WeakPolarHBondContact O-CG 3.31Å; F127-L131 PolarHBondContact O-N 3.45Å; P128-L131 PolarHBondContact O-N 2.91Å; L129-L131 VanDerWaalsContact C-N 3.35Å; L131-Q133 PolarHBondContact O-N 3.49Å; L131-L134 PolarHBondContact O-N 2.84Å; L131-F135 HydrophobicContact CB-CD2 4.28Å; L131-F135 HydrophobicContact CD2-CD2 3.99Å; L131-F135 HydrophobicContact CD2-CE2 3.53Å; L131-F135 WeakPolarHBondContact O-CB 3.46Å; L131-F135 VanDerWaalsContact O-CD2 3.28Å; L131-F135 WeakPolarHBondContact O-CD2 3.33Å; L131-F135 PolarHBondContact O-N 2.81Å |
| 132 | F | 96.1 | Very high | 94 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 175.4 | 173.3 | -94.1 | 0 | 0 | 0 | 111.3 | Y81 I84 L85 I88 P128 L129 L134 N136 I139 | Y81-F132 HydrophobicContact CE1-CZ 4.23Å; I84-F132 HydrophobicContact CG2-CE1 4.1Å; I84-F132 HydrophobicContact CG2-CZ 4.02Å; L85-F132 HydrophobicContact CD2-CE1 4.43Å; I88-F132 HydrophobicContact CD1-CD1 3.44Å; I88-F132 VanDerWaalsContact CD1-CD1 3.44Å; I88-F132 HydrophobicContact CD1-CE1 3.39Å; I88-F132 HydrophobicContact CD1-CG 4.47Å; I88-F132 HydrophobicContact CD1-CZ 4.39Å; P128-F132 WeakPolarHBondContact O-CB 3.44Å; P128-F132 PolarHBondContact O-N 3.3Å; L129-F132 WeakPolarHBondContact O-CB 3.25Å; L129-F132 PolarHBondContact O-N 3.19Å; F132-L134 PolarHBondContact O-N 3.46Å; F132-N136 HydrophobicContact CD2-CB 4.31Å; F132-N136 HydrophobicContact CE2-CB 4.22Å; F132-N136 VanDerWaalsContact CE2-ND2 3.28Å; F132-N136 WeakPolarHBondContact CE2-ND2 3.33Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.38Å; F132-N136 WeakPolarHBondContact O-CB 3.49Å; F132-N136 PolarHBondContact O-N 2.8Å; F132-I139 HydrophobicContact CE1-CG2 4.4Å; F132-I139 HydrophobicContact CZ-CG2 4.41Å |
| 133 | Q | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 177.5 | -72.6 | 179.9 | -29.5 | 0 | 0 | 112.6 | E66 I88 L129 I130 L131 I139 I141 H149 | E66-Q133 PolarHBondContact OE1-NE2 3.37Å; I88-Q133 HydrophobicContact CG2-CG 4.37Å; I88-Q133 VanDerWaalsContact CG2-NE2 3.33Å; L129-Q133 PolarHBondContact O-N 2.83Å; L129-Q133 VanDerWaalsContact O-N 3.1Å; I130-Q133 PolarHBondContact O-N 2.83Å; L131-Q133 PolarHBondContact O-N 3.49Å; Q133-I139 WeakPolarHBondContact O-CD1 3.44Å; Q133-I141 WeakPolarHBondContact O-CD1 3.07Å; Q133-H149 VanDerWaalsContact CD-CE1 3.4Å; Q133-H149 PolarHBondContact OE1-CE1 3.17Å; Q133-H149 PolarHBondContact OE1-ND1 3.22Å |
| 134 | L | 95 | Very high | 93.8 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.5 | -39.2 | 179.6 | -81.8 | 164.8 | 0 | 0 | 0 | 113.3 | I130 L131 F132 I141 R146 H149 F150 A153 | I130-L134 HydrophobicContact CG1-CD1 4.19Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 WeakPolarHBondContact O-CG 3.45Å; I130-L134 PolarHBondContact O-N 3.19Å; L131-L134 PolarHBondContact O-N 2.84Å; F132-L134 PolarHBondContact O-N 3.46Å; L134-I141 VanDerWaalsContact O-CD1 3.3Å; L134-I141 WeakPolarHBondContact O-CD1 3.49Å; L134-R146 HydrophobicContact CD2-CG 4.19Å; L134-R146 PolarHBondContact O-NH1 3.22Å; L134-R146 PolarHBondContact O-NH2 3.35Å; L134-H149 HydrophobicContact CD1-CB 4.45Å; L134-H149 HydrophobicContact CD2-CB 3.76Å; L134-H149 HydrophobicContact CG-CB 3.85Å; L134-F150 HydrophobicContact CD2-CB 4.5Å; L134-A153 HydrophobicContact CD1-CB 4.06Å |
| 135 | F | 94.1 | Very high | 93.8 | Very high | 137 Ų | 137 | 51.3 Ų | 51.3 | 60% | 0.601 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -105.5 | -20 | -167.2 | -67.5 | -70.2 | 0 | 0 | 0 | 114.4 | L131 Q137 | L131-F135 HydrophobicContact CB-CD2 4.28Å; L131-F135 HydrophobicContact CD2-CD2 3.99Å; L131-F135 HydrophobicContact CD2-CE2 3.53Å; L131-F135 WeakPolarHBondContact O-CB 3.46Å; L131-F135 VanDerWaalsContact O-CD2 3.28Å; L131-F135 WeakPolarHBondContact O-CD2 3.33Å; L131-F135 PolarHBondContact O-N 2.81Å; F135-Q137 PolarHBondContact O-N 3.22Å |
| 136 | N | 94.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | trans | -78.6 | 90 | -178.5 | -172.3 | 8.6 | 0 | 0 | 0 | 112.3 | Y81 F132 A138 I139 | Y81-N136 WeakPolarHBondContact CE1-ND2 3.3Å; Y81-N136 PolarHBondContact OH-ND2 3.45Å; F132-N136 HydrophobicContact CD2-CB 4.31Å; F132-N136 HydrophobicContact CE2-CB 4.22Å; F132-N136 VanDerWaalsContact CE2-ND2 3.28Å; F132-N136 WeakPolarHBondContact CE2-ND2 3.33Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.38Å; F132-N136 WeakPolarHBondContact O-CB 3.49Å; F132-N136 PolarHBondContact O-N 2.8Å; N136-A138 PolarHBondContact O-N 3.33Å; N136-A138 WeakPolarHBondContact OD1-CB 3.47Å; N136-A138 PolarHBondContact OD1-N 3.45Å; N136-I139 HydrophobicContact CB-CG2 4.26Å; N136-I139 VanDerWaalsContact O-CG1 3.29Å; N136-I139 WeakPolarHBondContact O-CG1 3.29Å; N136-I139 PolarHBondContact O-N 2.92Å; N136-I139 VanDerWaalsContact O-N 3.15Å | ||
| 137 | Q | 89.6 | Confident | 93.8 | Very high | 124 Ų | 124 | 54 Ų | 54 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -58.4 | -21.4 | 179.9 | -62.4 | -63 | -30.9 | 0 | 0 | 114 | F135 I139 L140 | F135-Q137 PolarHBondContact O-N 3.22Å; Q137-I139 PolarHBondContact O-N 3.33Å; Q137-L140 PolarHBondContact O-N 3.1Å; Q137-L140 VanDerWaalsContact O-N 3.16Å |
| 138 | A | 88.7 | Confident | 93.9 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 39% | 0.388 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -67 | -15 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y81 N136 L140 | Y81-A138 HydrophobicContact CE2-CB 3.79Å; Y81-A138 VanDerWaalsContact OH-CB 3.31Å; Y81-A138 WeakPolarHBondContact OH-CB 3.45Å; N136-A138 PolarHBondContact O-N 3.33Å; N136-A138 WeakPolarHBondContact OD1-CB 3.47Å; N136-A138 PolarHBondContact OD1-N 3.45Å; A138-L140 PolarHBondContact O-N 3.48Å |
| 139 | I | 90.7 | Very high | 94 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -84.4 | 7.7 | 175.7 | 79.6 | -171.2 | 0 | 0 | 0 | 113.2 | K73 Y81 L85 F132 Q133 N136 Q137 I141 | K73-I139 WeakPolarHBondContact CD-O 3.43Å; K73-I139 WeakPolarHBondContact CE-O 3.25Å; K73-I139 PolarHBondContact NZ-O 2.93Å; Y81-I139 HydrophobicContact CD1-CG2 3.85Å; Y81-I139 HydrophobicContact CE1-CG2 3.79Å; L85-I139 HydrophobicContact CD1-CB 4.34Å; L85-I139 HydrophobicContact CD2-CB 4.46Å; L85-I139 HydrophobicContact CD2-CD1 4.36Å; L85-I139 HydrophobicContact CD2-CG2 4.27Å; F132-I139 HydrophobicContact CE1-CG2 4.4Å; F132-I139 HydrophobicContact CZ-CG2 4.41Å; Q133-I139 WeakPolarHBondContact O-CD1 3.44Å; N136-I139 HydrophobicContact CB-CG2 4.26Å; N136-I139 VanDerWaalsContact O-CG1 3.29Å; N136-I139 WeakPolarHBondContact O-CG1 3.29Å; N136-I139 PolarHBondContact O-N 2.92Å; N136-I139 VanDerWaalsContact O-N 3.15Å; Q137-I139 PolarHBondContact O-N 3.33Å; I139-I141 HydrophobicContact CD1-CD1 4.48Å; I139-I141 HydrophobicContact CD1-CG1 3.91Å; I139-I141 HydrophobicContact CG1-CD1 4.37Å; I139-I141 HydrophobicContact CG1-CG1 3.49Å; I139-I141 VanDerWaalsContact CG1-CG1 3.49Å |
| 140 | L | 90.3 | Very high | 94 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | trans | 54.2 | 58.6 | -179.3 | -57.7 | 175 | 0 | 0 | 0 | 111.8 | A76 L77 Q137 A138 Q142 | A76-L140 HydrophobicContact CB-CD1 3.92Å; L77-L140 HydrophobicContact CD2-CD1 4.44Å; Q137-L140 PolarHBondContact O-N 3.1Å; Q137-L140 VanDerWaalsContact O-N 3.16Å; A138-L140 PolarHBondContact O-N 3.48Å; L140-Q142 PolarHBondContact O-N 2.9Å | ||
| 141 | I | 91.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | trans | -60.7 | 121.1 | -172.4 | -53.3 | 171.5 | 0 | 0 | 0 | 110.4 | Q133 L134 I139 E145 R146 | Q133-I141 WeakPolarHBondContact O-CD1 3.07Å; L134-I141 VanDerWaalsContact O-CD1 3.3Å; L134-I141 WeakPolarHBondContact O-CD1 3.49Å; I139-I141 HydrophobicContact CD1-CD1 4.48Å; I139-I141 HydrophobicContact CD1-CG1 3.91Å; I139-I141 HydrophobicContact CG1-CD1 4.37Å; I139-I141 HydrophobicContact CG1-CG1 3.49Å; I139-I141 VanDerWaalsContact CG1-CG1 3.49Å; I141-E145 HydrophobicContact CG2-CG 4.48Å; I141-R146 VanDerWaalsContact CD1-NH1 3.32Å; I141-R146 HydrophobicContact CG2-CB 3.92Å; I141-R146 HydrophobicContact CG2-CG 4.44Å | ||
| 142 | Q | 92.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 23% | 0.229 | 28% | 0.281 | C | S | . | . | trans | -85 | 153.3 | 177.5 | -65.2 | 178 | -55.1 | 0 | 0 | 111 | M69 L140 L144 E145 R146 | M69-Q142 VanDerWaalsContact CA-OE1 3.29Å; M69-Q142 VanDerWaalsContact CB-OE1 3.23Å; M69-Q142 PolarHBondContact O-OE1 3.16Å; M69-Q142 HydrophobicContact SD-CB 3.73Å; M69-Q142 HydrophobicContact SD-CG 4.29Å; M69-Q142 PolarHBondContact SD-OE1 2.93Å; L140-Q142 PolarHBondContact O-N 2.9Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 2.99Å; Q142-E145 HydrophobicContact CB-CB 4.23Å; Q142-E145 WeakPolarHBondContact O-CB 3.17Å; Q142-E145 PolarHBondContact O-N 3.13Å; Q142-R146 PolarHBondContact O-N 3.44Å | ||
| 143 | P | 93.4 | Very high | 94.2 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 79% | 0.792 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.8 | -38.7 | -177.6 | -26.2 | 34.9 | 0 | 0 | 0 | 114.1 | R146 G147 | P143-R146 PolarHBondContact O-N 3.48Å; P143-G147 PolarHBondContact O-N 3.35Å |
| 144 | L | 93.7 | Very high | 94.3 | Very high | 92 Ų | 92 | 55 Ų | 55 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -48.6 | 177 | -178.1 | 68.3 | 0 | 0 | 0 | 111.1 | S65 M69 Q142 R146 G147 V148 | S65-L144 WeakPolarHBondContact OG-CD2 3.22Å; M69-L144 HydrophobicContact CE-CB 3.9Å; M69-L144 HydrophobicContact CE-CD2 3.34Å; M69-L144 HydrophobicContact CE-CG 4.19Å; M69-L144 HydrophobicContact CG-CD2 4.4Å; M69-L144 HydrophobicContact SD-CB 3.9Å; M69-L144 HydrophobicContact SD-CD2 4.2Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 2.99Å; L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 2.87Å; L144-G147 WeakPolarHBondContact O-CA 3.35Å; L144-G147 PolarHBondContact O-N 3.27Å; L144-V148 HydrophobicContact CD1-CG1 4.4Å; L144-V148 PolarHBondContact O-N 3.29Å |
| 145 | E | 93.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -51.2 | -49.3 | 174.6 | 179.1 | 178.3 | 111 | 0 | 0 | 110.7 | M69 K73 I141 Q142 G147 V148 H149 | M69-E145 HydrophobicContact CB-CB 4.35Å; M69-E145 HydrophobicContact CG-CB 4.22Å; K73-E145 WeakPolarHBondContact CE-OE2 3.45Å; K73-E145 IonicContact NZ-OE1 3.67Å; K73-E145 PolarHBondContact NZ-OE1 3.36Å; K73-E145 IonicContact NZ-OE2 2.88Å; K73-E145 PolarHBondContact NZ-OE2 3.11Å; I141-E145 HydrophobicContact CG2-CG 4.48Å; Q142-E145 HydrophobicContact CB-CB 4.23Å; Q142-E145 WeakPolarHBondContact O-CB 3.17Å; Q142-E145 PolarHBondContact O-N 3.13Å; E145-G147 VanDerWaalsContact C-N 3.32Å; E145-G147 PolarHBondContact O-N 2.94Å; E145-V148 VanDerWaalsContact O-CG2 3.25Å; E145-V148 WeakPolarHBondContact O-CG2 3.5Å; E145-V148 PolarHBondContact O-N 2.94Å; E145-H149 VanDerWaalsContact CG-CD2 3.42Å; E145-H149 WeakPolarHBondContact CG-CD2 3.38Å; E145-H149 WeakPolarHBondContact CG-NE2 3.39Å; E145-H149 WeakPolarHBondContact O-CB 3.4Å; E145-H149 PolarHBondContact O-CD2 3.13Å; E145-H149 VanDerWaalsContact O-CG 3.27Å; E145-H149 PolarHBondContact O-N 3.26Å |
| 146 | R | 94.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 50 Ų | 50 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 177.2 | -163.4 | 168.5 | -158.4 | 83.9 | 13 | 112.6 | L134 I141 Q142 P143 L144 F150 | L134-R146 HydrophobicContact CD2-CG 4.19Å; L134-R146 PolarHBondContact O-NH1 3.22Å; L134-R146 PolarHBondContact O-NH2 3.35Å; I141-R146 VanDerWaalsContact CD1-NH1 3.32Å; I141-R146 HydrophobicContact CG2-CB 3.92Å; I141-R146 HydrophobicContact CG2-CG 4.44Å; Q142-R146 PolarHBondContact O-N 3.44Å; P143-R146 PolarHBondContact O-N 3.48Å; L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 2.87Å; R146-F150 VanDerWaalsContact O-CB 3.26Å; R146-F150 WeakPolarHBondContact O-CB 3.36Å; R146-F150 PolarHBondContact O-N 2.75Å |
| 147 | G | 96.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P143 L144 E145 F150 I151 | P143-G147 PolarHBondContact O-N 3.35Å; L144-G147 WeakPolarHBondContact O-CA 3.35Å; L144-G147 PolarHBondContact O-N 3.27Å; E145-G147 VanDerWaalsContact C-N 3.32Å; E145-G147 PolarHBondContact O-N 2.94Å; G147-F150 PolarHBondContact O-N 3.37Å; G147-I151 WeakPolarHBondContact O-CG1 3.44Å; G147-I151 PolarHBondContact O-N 3.42Å |
| 148 | V | 97.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69 | -37.5 | -178.5 | -60.1 | 0 | 0 | 0 | 0 | 112 | F58 L144 E145 F150 I151 L152 | F58-V148 HydrophobicContact CZ-CB 4.22Å; L144-V148 HydrophobicContact CD1-CG1 4.4Å; L144-V148 PolarHBondContact O-N 3.29Å; E145-V148 VanDerWaalsContact O-CG2 3.25Å; E145-V148 WeakPolarHBondContact O-CG2 3.5Å; E145-V148 PolarHBondContact O-N 2.94Å; V148-F150 VanDerWaalsContact C-N 3.34Å; V148-I151 PolarHBondContact O-N 3.1Å; V148-L152 WeakPolarHBondContact O-CB 3.42Å; V148-L152 PolarHBondContact O-N 3.45Å |
| 149 | H | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 173.4 | -67 | -43.4 | 0 | 0 | 0 | 112.5 | W62 E66 I130 Q133 L134 E145 L152 A153 | W62-H149 AromaticContact CE2-CE1 3.96Å; W62-H149 AromaticContact CE2-ND1 3.75Å; W62-H149 AromaticContact CZ2-CE1 3.74Å; W62-H149 AromaticContact CZ2-ND1 3.81Å; W62-H149 AromaticContact NE1-CE1 3.61Å; W62-H149 AromaticContact NE1-ND1 3.09Å; W62-H149 PolarHBondContact NE1-ND1 3.45Å; E66-H149 IonicContact OE1-CE1 2.72Å; E66-H149 IonicContact OE1-NE2 3.02Å; E66-H149 IonicContact OE2-CE1 2.66Å; E66-H149 PolarHBondContact OE2-CE1 3.47Å; E66-H149 IonicContact OE2-NE2 3.71Å; E66-H149 PolarHBondContact OE2-NE2 3.07Å; I130-H149 HydrophobicContact CD1-CB 3.68Å; I130-H149 WeakPolarHBondContact CD1-ND1 3.17Å; I130-H149 HydrophobicContact CG1-CB 4.36Å; Q133-H149 VanDerWaalsContact CD-CE1 3.4Å; Q133-H149 PolarHBondContact OE1-CE1 3.17Å; Q133-H149 PolarHBondContact OE1-ND1 3.22Å; L134-H149 HydrophobicContact CD1-CB 4.45Å; L134-H149 HydrophobicContact CD2-CB 3.76Å; L134-H149 HydrophobicContact CG-CB 3.85Å; E145-H149 VanDerWaalsContact CG-CD2 3.42Å; E145-H149 WeakPolarHBondContact CG-CD2 3.38Å; E145-H149 WeakPolarHBondContact CG-NE2 3.39Å; E145-H149 WeakPolarHBondContact O-CB 3.4Å; E145-H149 PolarHBondContact O-CD2 3.13Å; E145-H149 VanDerWaalsContact O-CG 3.27Å; E145-H149 PolarHBondContact O-N 3.26Å; H149-L152 PolarHBondContact O-N 3.39Å; H149-A153 VanDerWaalsContact O-CB 3.31Å; H149-A153 WeakPolarHBondContact O-CB 3.28Å; H149-A153 PolarHBondContact O-N 2.82Å |
| 150 | F | 97.1 | Very high | 95.2 | Very high | 120 Ų | 120 | 47.8 Ų | 47.8 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.2 | -175.1 | -100.8 | 0 | 0 | 0 | 111.2 | L134 R146 G147 V148 L152 A153 L154 | L134-F150 HydrophobicContact CD2-CB 4.5Å; R146-F150 VanDerWaalsContact O-CB 3.26Å; R146-F150 WeakPolarHBondContact O-CB 3.36Å; R146-F150 PolarHBondContact O-N 2.75Å; G147-F150 PolarHBondContact O-N 3.37Å; V148-F150 VanDerWaalsContact C-N 3.34Å; F150-L152 PolarHBondContact O-N 3.42Å; F150-A153 WeakPolarHBondContact O-CB 3.29Å; F150-A153 PolarHBondContact O-N 2.82Å; F150-L154 HydrophobicContact CD1-CD1 4.05Å; F150-L154 HydrophobicContact CD1-CG 4.42Å; F150-L154 HydrophobicContact CE1-CD1 3.67Å; F150-L154 HydrophobicContact CE1-CD2 4.49Å; F150-L154 HydrophobicContact CE1-CG 4.14Å; F150-L154 HydrophobicContact CZ-CD1 4.36Å; F150-L154 HydrophobicContact CZ-CD2 4.38Å; F150-L154 HydrophobicContact CZ-CG 4.46Å; F150-L154 WeakPolarHBondContact O-CG 3.36Å; F150-L154 PolarHBondContact O-N 3.11Å |
| 151 | I | 97.7 | Very high | 95.4 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.8 | -65.4 | 165.3 | 0 | 0 | 0 | 110.7 | F58 G147 V148 A153 L154 F155 | F58-I151 HydrophobicContact CD1-CG2 4.31Å; F58-I151 HydrophobicContact CD2-CG2 4.19Å; F58-I151 HydrophobicContact CE1-CB 4.24Å; F58-I151 HydrophobicContact CE1-CG2 3.84Å; F58-I151 HydrophobicContact CE2-CB 4.25Å; F58-I151 HydrophobicContact CE2-CD1 4.29Å; F58-I151 HydrophobicContact CE2-CG2 3.71Å; F58-I151 HydrophobicContact CG-CG2 4.48Å; F58-I151 HydrophobicContact CZ-CB 3.74Å; F58-I151 HydrophobicContact CZ-CD1 4.4Å; F58-I151 HydrophobicContact CZ-CG2 3.52Å; G147-I151 WeakPolarHBondContact O-CG1 3.44Å; G147-I151 PolarHBondContact O-N 3.42Å; V148-I151 PolarHBondContact O-N 3.1Å; I151-A153 VanDerWaalsContact C-N 3.31Å; I151-A153 PolarHBondContact O-N 3.13Å; I151-L154 WeakPolarHBondContact O-CB 3.18Å; I151-L154 PolarHBondContact O-N 3.42Å; I151-F155 HydrophobicContact CG2-CD2 4.02Å; I151-F155 HydrophobicContact CG2-CE2 3.72Å; I151-F155 WeakPolarHBondContact O-CD2 3.48Å; I151-F155 PolarHBondContact O-N 3.35Å; I151-F155 VanDerWaalsContact O-N 3.08Å |
| 152 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 176.3 | -174.1 | 58.3 | 0 | 0 | 0 | 111.8 | N55 F58 W62 M92 I130 V148 H149 F150 L154 F155 I156 | N55-L152 WeakPolarHBondContact OD1-CD1 3.47Å; F58-L152 HydrophobicContact CE1-CB 4.13Å; W62-L152 HydrophobicContact CD2-CD2 3.91Å; W62-L152 HydrophobicContact CG-CD2 4.12Å; W62-L152 HydrophobicContact CZ2-CD2 4.06Å; M92-L152 HydrophobicContact CE-CD2 4.19Å; I130-L152 HydrophobicContact CD1-CB 4.38Å; I130-L152 HydrophobicContact CD1-CD2 3.95Å; I130-L152 HydrophobicContact CD1-CG 4.41Å; V148-L152 WeakPolarHBondContact O-CB 3.42Å; V148-L152 PolarHBondContact O-N 3.45Å; H149-L152 PolarHBondContact O-N 3.39Å; F150-L152 PolarHBondContact O-N 3.42Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 2.78Å; L152-F155 WeakPolarHBondContact O-CB 3.49Å; L152-F155 PolarHBondContact O-N 3.38Å; L152-I156 HydrophobicContact CD1-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 VanDerWaalsContact O-CG1 3.32Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 2.7Å |
| 153 | A | 96.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I130 L134 H149 F150 I151 I156 L157 | I130-A153 HydrophobicContact CG1-CB 4.12Å; I130-A153 HydrophobicContact CG2-CB 4.31Å; L134-A153 HydrophobicContact CD1-CB 4.06Å; H149-A153 VanDerWaalsContact O-CB 3.31Å; H149-A153 WeakPolarHBondContact O-CB 3.28Å; H149-A153 PolarHBondContact O-N 2.82Å; F150-A153 WeakPolarHBondContact O-CB 3.29Å; F150-A153 PolarHBondContact O-N 2.82Å; I151-A153 VanDerWaalsContact C-N 3.31Å; I151-A153 PolarHBondContact O-N 3.13Å; A153-I156 PolarHBondContact O-N 2.96Å; A153-L157 WeakPolarHBondContact O-CB 3.4Å; A153-L157 VanDerWaalsContact O-CG 3.26Å; A153-L157 WeakPolarHBondContact O-CG 3.29Å; A153-L157 PolarHBondContact O-N 3.44Å |
| 154 | L | 96.9 | Very high | 95.4 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -41 | 174.2 | -69 | 177.1 | 0 | 0 | 0 | 112.1 | F150 I151 L152 L157 T158 | F150-L154 HydrophobicContact CD1-CD1 4.05Å; F150-L154 HydrophobicContact CD1-CG 4.42Å; F150-L154 HydrophobicContact CE1-CD1 3.67Å; F150-L154 HydrophobicContact CE1-CD2 4.49Å; F150-L154 HydrophobicContact CE1-CG 4.14Å; F150-L154 HydrophobicContact CZ-CD1 4.36Å; F150-L154 HydrophobicContact CZ-CD2 4.38Å; F150-L154 HydrophobicContact CZ-CG 4.46Å; F150-L154 WeakPolarHBondContact O-CG 3.36Å; F150-L154 PolarHBondContact O-N 3.11Å; I151-L154 WeakPolarHBondContact O-CB 3.18Å; I151-L154 PolarHBondContact O-N 3.42Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 2.78Å; L154-L157 PolarHBondContact O-N 3.05Å; L154-T158 WeakPolarHBondContact O-CB 3.27Å; L154-T158 PolarHBondContact O-N 2.9Å; L154-T158 PolarHBondContact O-OG1 2.87Å |
| 155 | F | 96.6 | Very high | 95.2 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 172.7 | -80.5 | -60.5 | 0 | 0 | 0 | 111.2 | F54 N55 F58 I151 L152 L157 T158 Q159 | F54-F155 HydrophobicContact CB-CE1 3.64Å; F54-F155 HydrophobicContact CB-CZ 3.82Å; N55-F155 HydrophobicContact CB-CB 4.29Å; N55-F155 HydrophobicContact CB-CD1 3.98Å; N55-F155 HydrophobicContact CB-CD2 4.4Å; N55-F155 HydrophobicContact CB-CE1 4.42Å; N55-F155 HydrophobicContact CB-CG 3.99Å; F58-F155 HydrophobicContact CB-CE2 3.96Å; F58-F155 HydrophobicContact CD1-CD2 4.08Å; F58-F155 AromaticContact CD1-CE2 3.93Å; F58-F155 HydrophobicContact CD1-CE2 3.93Å; F58-F155 AromaticContact CG-CE2 3.9Å; F58-F155 HydrophobicContact CG-CE2 3.9Å; I151-F155 HydrophobicContact CG2-CD2 4.02Å; I151-F155 HydrophobicContact CG2-CE2 3.72Å; I151-F155 WeakPolarHBondContact O-CD2 3.48Å; I151-F155 PolarHBondContact O-N 3.35Å; I151-F155 VanDerWaalsContact O-N 3.08Å; L152-F155 WeakPolarHBondContact O-CB 3.49Å; L152-F155 PolarHBondContact O-N 3.38Å; F155-L157 VanDerWaalsContact C-N 3.34Å; F155-L157 PolarHBondContact O-N 3.01Å; F155-T158 PolarHBondContact O-N 2.89Å; F155-Q159 VanDerWaalsContact O-CB 3.23Å; F155-Q159 WeakPolarHBondContact O-CB 3.28Å; F155-Q159 VanDerWaalsContact O-CG 3.24Å; F155-Q159 WeakPolarHBondContact O-CG 3.18Å; F155-Q159 PolarHBondContact O-N 3.07Å |
| 156 | I | 95.5 | Very high | 95 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 179.8 | -65.6 | 160.2 | 0 | 0 | 0 | 111.2 | Q126 I130 L152 A153 Q159 A160 | Q126-I156 HydrophobicContact CB-CD1 4.18Å; Q126-I156 HydrophobicContact CG-CD1 3.34Å; Q126-I156 HydrophobicContact CG-CG1 3.97Å; I130-I156 HydrophobicContact CB-CD1 4.41Å; I130-I156 HydrophobicContact CG2-CD1 4.19Å; L152-I156 HydrophobicContact CD1-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 VanDerWaalsContact O-CG1 3.32Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 2.7Å; A153-I156 PolarHBondContact O-N 2.96Å; I156-Q159 PolarHBondContact O-N 3.49Å; I156-A160 VanDerWaalsContact O-CB 3.27Å; I156-A160 WeakPolarHBondContact O-CB 3.48Å; I156-A160 PolarHBondContact O-N 3.39Å |
| 157 | L | 95.8 | Very high | 94.7 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 41% | 0.408 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 178.3 | -73.7 | 171.6 | 0 | 0 | 0 | 111.6 | F127 A153 L154 F155 Q159 A160 L161 | F127-L157 HydrophobicContact CD2-CD2 4.45Å; F127-L157 HydrophobicContact CE2-CD2 3.83Å; F127-L157 HydrophobicContact CE2-CG 4.49Å; A153-L157 WeakPolarHBondContact O-CB 3.4Å; A153-L157 VanDerWaalsContact O-CG 3.26Å; A153-L157 WeakPolarHBondContact O-CG 3.29Å; A153-L157 PolarHBondContact O-N 3.44Å; L154-L157 PolarHBondContact O-N 3.05Å; F155-L157 VanDerWaalsContact C-N 3.34Å; F155-L157 PolarHBondContact O-N 3.01Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; L157-Q159 PolarHBondContact O-N 2.99Å; L157-A160 PolarHBondContact O-N 2.92Å; L157-L161 WeakPolarHBondContact O-CG 3.43Å; L157-L161 PolarHBondContact O-N 2.81Å |
| 158 | T | 95 | Very high | 94.2 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 111 | L154 F155 S162 | L154-T158 WeakPolarHBondContact O-CB 3.27Å; L154-T158 PolarHBondContact O-N 2.9Å; L154-T158 PolarHBondContact O-OG1 2.87Å; F155-T158 PolarHBondContact O-N 2.89Å; T158-S162 WeakPolarHBondContact O-CB 3.15Å; T158-S162 PolarHBondContact O-N 3.33Å; T158-S162 PolarHBondContact O-OG 3.18Å |
| 159 | Q | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175.8 | -80.4 | 168.6 | 34.4 | 0 | 0 | 112.7 | L48 L52 N55 F118 F155 I156 L157 S162 G163 | L48-Q159 HydrophobicContact CD1-CB 4.34Å; L48-Q159 HydrophobicContact CD1-CG 4.23Å; L52-Q159 HydrophobicContact CD2-CG 4.43Å; N55-Q159 PolarHBondContact ND2-NE2 3.44Å; F118-Q159 HydrophobicContact CE1-CB 4.45Å; F118-Q159 HydrophobicContact CZ-CB 3.79Å; F118-Q159 HydrophobicContact CZ-CG 4.11Å; F155-Q159 VanDerWaalsContact O-CB 3.23Å; F155-Q159 WeakPolarHBondContact O-CB 3.28Å; F155-Q159 VanDerWaalsContact O-CG 3.24Å; F155-Q159 WeakPolarHBondContact O-CG 3.18Å; F155-Q159 PolarHBondContact O-N 3.07Å; I156-Q159 PolarHBondContact O-N 3.49Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; L157-Q159 PolarHBondContact O-N 2.99Å; Q159-S162 PolarHBondContact O-OG 3.11Å; Q159-G163 VanDerWaalsContact O-CA 3.29Å; Q159-G163 WeakPolarHBondContact O-CA 3.44Å; Q159-G163 PolarHBondContact O-N 3.48Å |
| 160 | A | 93.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W119 L123 I156 L157 F164 | W119-A160 PolarHBondContact NE1-O 3.34Å; L123-A160 HydrophobicContact CD2-CB 4.22Å; I156-A160 VanDerWaalsContact O-CB 3.27Å; I156-A160 WeakPolarHBondContact O-CB 3.48Å; I156-A160 PolarHBondContact O-N 3.39Å; L157-A160 PolarHBondContact O-N 2.92Å; A160-F164 VanDerWaalsContact O-CB 3.26Å; A160-F164 WeakPolarHBondContact O-CB 3.31Å; A160-F164 PolarHBondContact O-N 3.49Å |
| 161 | L | 94.9 | Very high | 92.2 | Very high | 127 Ų | 127 | 45.8 Ų | 45.8 | 67% | 0.665 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.6 | -52.9 | 177.5 | -67 | 175.4 | 0 | 0 | 0 | 111.6 | L157 F164 V165 | L157-L161 WeakPolarHBondContact O-CG 3.43Å; L157-L161 PolarHBondContact O-N 2.81Å; L161-F164 PolarHBondContact O-N 3.44Å; L161-V165 WeakPolarHBondContact O-CG2 3.15Å; L161-V165 PolarHBondContact O-N 2.94Å; L161-V165 VanDerWaalsContact O-N 3.16Å |
| 162 | S | 92.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 179.8 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | L48 T158 Q159 F164 V165 A166 | L48-S162 WeakPolarHBondContact CD1-OG 3.32Å; T158-S162 WeakPolarHBondContact O-CB 3.15Å; T158-S162 PolarHBondContact O-N 3.33Å; T158-S162 PolarHBondContact O-OG 3.18Å; Q159-S162 PolarHBondContact O-OG 3.11Å; S162-F164 PolarHBondContact O-N 3.37Å; S162-V165 PolarHBondContact O-N 2.71Å; S162-A166 WeakPolarHBondContact O-CB 3.22Å; S162-A166 PolarHBondContact O-N 3.23Å |
| 163 | G | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q159 A166 L167 | Q159-G163 VanDerWaalsContact O-CA 3.29Å; Q159-G163 WeakPolarHBondContact O-CA 3.44Å; Q159-G163 PolarHBondContact O-N 3.48Å; G163-A166 PolarHBondContact O-N 3.27Å; G163-L167 VanDerWaalsContact O-CB 3.24Å; G163-L167 WeakPolarHBondContact O-CB 3.34Å; G163-L167 PolarHBondContact O-N 3.06Å |
| 164 | F | 91.8 | Very high | 88.9 | Confident | 97 Ų | 97 | 54.4 Ų | 54.4 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 173.7 | -179.2 | -107.5 | 0 | 0 | 0 | 112 | W119 A160 L161 S162 L167 R168 | W119-F164 AromaticContact CE2-CD2 3.96Å; W119-F164 AromaticContact CZ2-CD2 3.72Å; W119-F164 HydrophobicContact CZ2-CD2 3.72Å; W119-F164 HydrophobicContact CZ2-CE2 4.38Å; W119-F164 HydrophobicContact CZ2-CG 4.5Å; A160-F164 VanDerWaalsContact O-CB 3.26Å; A160-F164 WeakPolarHBondContact O-CB 3.31Å; A160-F164 PolarHBondContact O-N 3.49Å; L161-F164 PolarHBondContact O-N 3.44Å; S162-F164 PolarHBondContact O-N 3.37Å; F164-L167 PolarHBondContact O-N 3.34Å; F164-R168 WeakPolarHBondContact O-CB 3.04Å; F164-R168 PolarHBondContact O-N 3.13Å |
| 165 | V | 90.7 | Very high | 87.5 | Confident | 101 Ų | 101 | 55.7 Ų | 55.7 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | L161 S162 R168 G169 | L161-V165 WeakPolarHBondContact O-CG2 3.15Å; L161-V165 PolarHBondContact O-N 2.94Å; L161-V165 VanDerWaalsContact O-N 3.16Å; S162-V165 PolarHBondContact O-N 2.71Å; V165-R168 PolarHBondContact O-N 3.09Å; V165-G169 PolarHBondContact O-N 3.46Å |
| 166 | A | 88.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | S45 L48 L115 S162 G163 R168 G169 M170 | S45-A166 WeakPolarHBondContact OG-CB 3.38Å; L48-A166 HydrophobicContact CD2-CB 4.43Å; L115-A166 HydrophobicContact CD2-CB 3.82Å; S162-A166 WeakPolarHBondContact O-CB 3.22Å; S162-A166 PolarHBondContact O-N 3.23Å; G163-A166 PolarHBondContact O-N 3.27Å; A166-R168 PolarHBondContact O-N 3.42Å; A166-G169 PolarHBondContact O-N 3.38Å; A166-M170 WeakPolarHBondContact O-CG 3.35Å; A166-M170 PolarHBondContact O-N 2.8Å |
| 167 | L | 88.8 | Confident | 84.5 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 177.8 | -175.2 | 64.9 | 0 | 0 | 0 | 111.6 | V112 L115 A116 G163 F164 G169 M170 V171 | V112-L167 HydrophobicContact CG1-CD1 3.97Å; L115-L167 HydrophobicContact CB-CD1 4.3Å; L115-L167 HydrophobicContact CD2-CB 4.11Å; L115-L167 HydrophobicContact CD2-CD1 4.4Å; L115-L167 HydrophobicContact CG-CB 4.46Å; L115-L167 HydrophobicContact CG-CD1 4.41Å; A116-L167 HydrophobicContact CB-CD1 4.05Å; A116-L167 HydrophobicContact CB-CD2 4.3Å; G163-L167 VanDerWaalsContact O-CB 3.24Å; G163-L167 WeakPolarHBondContact O-CB 3.34Å; G163-L167 PolarHBondContact O-N 3.06Å; F164-L167 PolarHBondContact O-N 3.34Å; L167-G169 VanDerWaalsContact C-N 3.32Å; L167-G169 PolarHBondContact O-N 3.16Å; L167-M170 PolarHBondContact O-N 3.44Å; L167-V171 HydrophobicContact CD1-CG2 4.48Å; L167-V171 VanDerWaalsContact O-CG2 3.29Å; L167-V171 WeakPolarHBondContact O-CG2 3.26Å; L167-V171 PolarHBondContact O-N 3.46Å |
| 168 | R | 87.4 | Confident | 83.2 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.4 | -171.5 | -179.4 | -177.5 | -177.3 | 3.6 | 112.1 | F164 V165 A166 R172 | F164-R168 WeakPolarHBondContact O-CB 3.04Å; F164-R168 PolarHBondContact O-N 3.13Å; V165-R168 PolarHBondContact O-N 3.09Å; A166-R168 PolarHBondContact O-N 3.42Å; R168-R172 WeakPolarHBondContact O-CD 3.06Å; R168-R172 WeakPolarHBondContact O-CG 3.39Å; R168-R172 PolarHBondContact O-N 3.14Å |
| 169 | G | 83.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -54.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V165 A166 L167 V171 R172 H173 | V165-G169 PolarHBondContact O-N 3.46Å; A166-G169 PolarHBondContact O-N 3.38Å; L167-G169 VanDerWaalsContact C-N 3.32Å; L167-G169 PolarHBondContact O-N 3.16Å; G169-V171 PolarHBondContact O-N 3.48Å; G169-R172 WeakPolarHBondContact O-CB 3.37Å; G169-R172 PolarHBondContact O-N 2.86Å; G169-R172 VanDerWaalsContact O-N 3.17Å; G169-H173 PolarHBondContact O-CD2 2.98Å; G169-H173 VanDerWaalsContact O-CD2 3.3Å; G169-H173 PolarHBondContact O-N 3.27Å; G169-H173 VanDerWaalsContact O-N 3.13Å |
| 170 | M | 83.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -37.8 | -176.9 | -72 | 171.5 | 27.4 | 0 | 0 | 113.7 | V43 E110 V112 L115 A166 L167 R172 H173 T174 | V43-M170 HydrophobicContact CB-CG 4.32Å; V43-M170 HydrophobicContact CG1-CG 3.68Å; E110-M170 VanDerWaalsContact C-CE 3.45Å; E110-M170 HydrophobicContact CB-SD 4.47Å; E110-M170 WeakPolarHBondContact O-CE 3.02Å; V112-M170 VanDerWaalsContact CA-CE 3.48Å; V112-M170 HydrophobicContact CB-CE 4.23Å; V112-M170 HydrophobicContact CG2-CB 3.88Å; V112-M170 HydrophobicContact CG2-CE 3.76Å; V112-M170 VanDerWaalsContact N-CE 3.32Å; L115-M170 HydrophobicContact CB-CE 4.04Å; L115-M170 HydrophobicContact CD2-CE 3.73Å; L115-M170 HydrophobicContact CD2-SD 3.47Å; L115-M170 WeakPolarHBondContact CD2-SD 3.18Å; A166-M170 WeakPolarHBondContact O-CG 3.35Å; A166-M170 PolarHBondContact O-N 2.8Å; L167-M170 PolarHBondContact O-N 3.44Å; M170-R172 VanDerWaalsContact C-N 3.33Å; M170-R172 PolarHBondContact O-N 3.37Å; M170-H173 PolarHBondContact O-N 3.03Å; M170-T174 WeakPolarHBondContact O-CB 3.27Å; M170-T174 PolarHBondContact O-N 3.15Å; M170-T174 PolarHBondContact O-OG1 3.28Å |
| 171 | V | 82.4 | Confident | 79.2 | Confident | 56 Ų | 56 | 80.1 Ų | 80.1 | 34% | 0.339 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 111 | V112 L167 G169 T174 E175 | V112-V171 HydrophobicContact CG1-CG2 3.79Å; L167-V171 HydrophobicContact CD1-CG2 4.48Å; L167-V171 VanDerWaalsContact O-CG2 3.29Å; L167-V171 WeakPolarHBondContact O-CG2 3.26Å; L167-V171 PolarHBondContact O-N 3.46Å; G169-V171 PolarHBondContact O-N 3.48Å; V171-T174 WeakPolarHBondContact O-CB 3.15Å; V171-T174 PolarHBondContact O-N 2.89Å; V171-E175 WeakPolarHBondContact O-CG 3.14Å; V171-E175 PolarHBondContact O-N 2.81Å; V171-E175 VanDerWaalsContact O-N 3.07Å |
| 172 | R | 79.6 | Confident | 77.9 | Confident | 144 Ų | 144 | 80.4 Ų | 80.4 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.5 | -71.4 | 170.3 | 167.9 | -173.9 | -9.7 | 112.5 | R168 G169 M170 T174 E175 S176 | R168-R172 WeakPolarHBondContact O-CD 3.06Å; R168-R172 WeakPolarHBondContact O-CG 3.39Å; R168-R172 PolarHBondContact O-N 3.14Å; G169-R172 WeakPolarHBondContact O-CB 3.37Å; G169-R172 PolarHBondContact O-N 2.86Å; G169-R172 VanDerWaalsContact O-N 3.17Å; M170-R172 VanDerWaalsContact C-N 3.33Å; M170-R172 PolarHBondContact O-N 3.37Å; R172-T174 VanDerWaalsContact C-N 3.34Å; R172-E175 PolarHBondContact O-N 2.79Å; R172-S176 PolarHBondContact O-N 3.4Å |
| 173 | H | 71.6 | Confident | 76.7 | Confident | 67 Ų | 67 | 86.1 Ų | 86.1 | 31% | 0.31 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 175.5 | -81.8 | -81.7 | 0 | 0 | 0 | 111.9 | G169 M170 E175 S176 H177 | G169-H173 PolarHBondContact O-CD2 2.98Å; G169-H173 VanDerWaalsContact O-CD2 3.3Å; G169-H173 PolarHBondContact O-N 3.27Å; G169-H173 VanDerWaalsContact O-N 3.13Å; M170-H173 PolarHBondContact O-N 3.03Å; H173-E175 VanDerWaalsContact C-N 3.35Å; H173-E175 PolarHBondContact O-N 2.86Å; H173-S176 PolarHBondContact O-N 3.49Å; H173-S176 PolarHBondContact O-OG 3.23Å; H173-H177 PolarHBondContact O-CD2 3.32Å; H173-H177 PolarHBondContact O-N 3.13Å; H173-H177 VanDerWaalsContact O-N 3.13Å |
| 174 | T | 70.4 | Confident | 75.5 | Confident | 53 Ų | 53 | 91 Ų | 91 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 177.2 | -59.4 | 0 | 0 | 0 | 0 | 111 | M170 V171 R172 S176 H177 F178 | M170-T174 WeakPolarHBondContact O-CB 3.27Å; M170-T174 PolarHBondContact O-N 3.15Å; M170-T174 PolarHBondContact O-OG1 3.28Å; V171-T174 WeakPolarHBondContact O-CB 3.15Å; V171-T174 PolarHBondContact O-N 2.89Å; R172-T174 VanDerWaalsContact C-N 3.34Å; T174-S176 PolarHBondContact O-N 3.38Å; T174-H177 PolarHBondContact O-N 3.31Å; T174-F178 HydrophobicContact CG2-CD2 3.72Å; T174-F178 HydrophobicContact CG2-CE2 3.44Å; T174-F178 VanDerWaalsContact CG2-CE2 3.44Å; T174-F178 WeakPolarHBondContact O-CD2 3.44Å; T174-F178 PolarHBondContact O-N 3.49Å; T174-F178 VanDerWaalsContact O-N 3.16Å |
| 175 | E | 67.3 | Low | 74.3 | Confident | 110 Ų | 110 | 87.8 Ų | 87.8 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | 175.4 | -71.2 | 173.5 | 177.3 | 0 | 0 | 112.2 | V171 R172 H173 H177 F178 H179 | V171-E175 WeakPolarHBondContact O-CG 3.14Å; V171-E175 PolarHBondContact O-N 2.81Å; V171-E175 VanDerWaalsContact O-N 3.07Å; R172-E175 PolarHBondContact O-N 2.79Å; H173-E175 VanDerWaalsContact C-N 3.35Å; H173-E175 PolarHBondContact O-N 2.86Å; E175-H177 VanDerWaalsContact C-N 3.34Å; E175-H177 PolarHBondContact O-N 3.29Å; E175-F178 PolarHBondContact O-N 3.47Å; E175-H179 PolarHBondContact O-CD2 2.82Å; E175-H179 PolarHBondContact O-N 3.29Å |
| 176 | S | 63.7 | Low | 73.2 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 35% | 0.35 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 179.6 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | R172 H173 T174 H179 L180 | R172-S176 PolarHBondContact O-N 3.4Å; H173-S176 PolarHBondContact O-N 3.49Å; H173-S176 PolarHBondContact O-OG 3.23Å; T174-S176 PolarHBondContact O-N 3.38Å; S176-H179 PolarHBondContact O-N 3.01Å; S176-L180 WeakPolarHBondContact O-CG 3.47Å; S176-L180 PolarHBondContact O-N 2.83Å; S176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | H | 64.3 | Low | 71.9 | Confident | 113 Ų | 113 | 93.4 Ų | 93.4 | 52% | 0.523 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 178.5 | -88 | -75.4 | 0 | 0 | 0 | 112.8 | H173 T174 E175 R181 | H173-H177 PolarHBondContact O-CD2 3.32Å; H173-H177 PolarHBondContact O-N 3.13Å; H173-H177 VanDerWaalsContact O-N 3.13Å; T174-H177 PolarHBondContact O-N 3.31Å; E175-H177 VanDerWaalsContact C-N 3.34Å; E175-H177 PolarHBondContact O-N 3.29Å; H177-R181 WeakPolarHBondContact O-CG 3.48Å; H177-R181 PolarHBondContact O-N 2.63Å; H177-R181 VanDerWaalsContact O-N 3.16Å |
| 178 | F | 69.8 | Low | 70.6 | Confident | 141 Ų | 141 | 99.7 Ų | 99.7 | 62% | 0.618 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | 175.5 | -82.4 | -66.1 | 0 | 0 | 0 | 112 | T174 E175 R181 Q182 | T174-F178 HydrophobicContact CG2-CD2 3.72Å; T174-F178 HydrophobicContact CG2-CE2 3.44Å; T174-F178 VanDerWaalsContact CG2-CE2 3.44Å; T174-F178 WeakPolarHBondContact O-CD2 3.44Å; T174-F178 PolarHBondContact O-N 3.49Å; T174-F178 VanDerWaalsContact O-N 3.16Å; E175-F178 PolarHBondContact O-N 3.47Å; F178-R181 PolarHBondContact O-N 3.16Å; F178-Q182 PolarHBondContact O-N 2.91Å; F178-Q182 VanDerWaalsContact O-N 3.13Å |
| 179 | H | 68.4 | Low | 69.6 | Low | 113 Ų | 113 | 100.6 Ų | 100.6 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.1 | -77.5 | -64.6 | 0 | 0 | 0 | 112.2 | E175 S176 R181 Q182 F183 | E175-H179 PolarHBondContact O-CD2 2.82Å; E175-H179 PolarHBondContact O-N 3.29Å; S176-H179 PolarHBondContact O-N 3.01Å; H179-R181 PolarHBondContact O-N 3.07Å; H179-Q182 WeakPolarHBondContact O-CB 3.44Å; H179-Q182 PolarHBondContact O-N 2.91Å; H179-F183 WeakPolarHBondContact O-CD2 3.29Å; H179-F183 PolarHBondContact O-N 2.97Å |
| 180 | L | 67.1 | Low | 68.2 | Low | 111 Ų | 111 | 110.4 Ų | 110.4 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 178.3 | -71 | 170.3 | 0 | 0 | 0 | 112.3 | S176 Q182 F183 D184 | S176-L180 WeakPolarHBondContact O-CG 3.47Å; S176-L180 PolarHBondContact O-N 2.83Å; S176-L180 VanDerWaalsContact O-N 3.09Å; L180-Q182 VanDerWaalsContact C-N 3.27Å; L180-Q182 PolarHBondContact O-N 3.02Å; L180-F183 PolarHBondContact O-N 3.13Å; L180-F183 VanDerWaalsContact O-N 3.08Å; L180-D184 PolarHBondContact O-N 3.32Å; L180-D184 VanDerWaalsContact O-N 3.13Å |
| 181 | R | 64.1 | Low | 66.6 | Low | 187 Ų | 187 | 117 Ų | 117 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.5 | -32.4 | 176.6 | -77.3 | -173.7 | 174.5 | 179 | 0.7 | 113.6 | H177 F178 H179 F183 G185 | H177-R181 WeakPolarHBondContact O-CG 3.48Å; H177-R181 PolarHBondContact O-N 2.63Å; H177-R181 VanDerWaalsContact O-N 3.16Å; F178-R181 PolarHBondContact O-N 3.16Å; H179-R181 PolarHBondContact O-N 3.07Å; R181-F183 VanDerWaalsContact C-N 3.31Å; R181-G185 PolarHBondContact O-N 3.3Å; R181-G185 VanDerWaalsContact O-N 3.11Å |
| 182 | Q | 69 | Low | 65.9 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.6 | -35 | 175.7 | -170.4 | -177.3 | -44.4 | 0 | 0 | 111.5 | F178 H179 L180 V186 | F178-Q182 PolarHBondContact O-N 2.91Å; F178-Q182 VanDerWaalsContact O-N 3.13Å; H179-Q182 WeakPolarHBondContact O-CB 3.44Å; H179-Q182 PolarHBondContact O-N 2.91Å; L180-Q182 VanDerWaalsContact C-N 3.27Å; L180-Q182 PolarHBondContact O-N 3.02Å; Q182-V186 WeakPolarHBondContact O-CG2 3.19Å; Q182-V186 PolarHBondContact O-N 3.11Å |
| 183 | F | 67.7 | Low | 65.1 | Low | 138 Ų | 138 | 118.8 Ų | 118.8 | 61% | 0.605 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.5 | -44.4 | 176.1 | -75.8 | -72.6 | 0 | 0 | 0 | 112.4 | H179 L180 R181 G185 V186 Q187 | H179-F183 WeakPolarHBondContact O-CD2 3.29Å; H179-F183 PolarHBondContact O-N 2.97Å; L180-F183 PolarHBondContact O-N 3.13Å; L180-F183 VanDerWaalsContact O-N 3.08Å; R181-F183 VanDerWaalsContact C-N 3.31Å; F183-G185 PolarHBondContact O-N 3.05Å; F183-V186 PolarHBondContact O-N 3.22Å; F183-Q187 PolarHBondContact O-N 3.48Å |
| 184 | D | 65.8 | Low | 64.8 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.3 | -46.1 | 177.6 | -76.4 | -12.8 | 0 | 0 | 0 | 111.8 | L180 V186 Q187 E188 | L180-D184 PolarHBondContact O-N 3.32Å; L180-D184 VanDerWaalsContact O-N 3.13Å; D184-V186 VanDerWaalsContact C-N 3.27Å; D184-V186 PolarHBondContact O-N 3.08Å; D184-Q187 PolarHBondContact O-N 3.33Å; D184-Q187 VanDerWaalsContact O-N 3.11Å; D184-E188 PolarHBondContact O-N 3.16Å |
| 185 | G | 66.3 | Low | 64.4 | Low | 30 Ų | 30 | 125.8 Ų | 125.8 | 31% | 0.309 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.6 | -29.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R181 F183 L189 | R181-G185 PolarHBondContact O-N 3.3Å; R181-G185 VanDerWaalsContact O-N 3.11Å; F183-G185 PolarHBondContact O-N 3.05Å; G185-L189 WeakPolarHBondContact O-CD1 3.35Å; G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 3.11Å |
| 186 | V | 68.4 | Low | 64.3 | Low | 86 Ų | 86 | 126.8 Ų | 126.8 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -76 | -31.6 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | Q182 F183 D184 R190 | Q182-V186 WeakPolarHBondContact O-CG2 3.19Å; Q182-V186 PolarHBondContact O-N 3.11Å; F183-V186 PolarHBondContact O-N 3.22Å; D184-V186 VanDerWaalsContact C-N 3.27Å; D184-V186 PolarHBondContact O-N 3.08Å; V186-R190 PolarHBondContact O-N 3.45Å |
| 187 | Q | 60.7 | Low | 64.3 | Low | 137 Ų | 137 | 131.9 Ų | 131.9 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.5 | -40.8 | 174.3 | -92.7 | 175.8 | -34.1 | 0 | 0 | 112.5 | F183 D184 L189 R190 A191 | F183-Q187 PolarHBondContact O-N 3.48Å; D184-Q187 PolarHBondContact O-N 3.33Å; D184-Q187 VanDerWaalsContact O-N 3.11Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 3.49Å; Q187-R190 PolarHBondContact O-N 3Å; Q187-R190 VanDerWaalsContact O-N 3.16Å; Q187-A191 PolarHBondContact O-N 3.35Å |
| 188 | E | 62.6 | Low | 64.3 | Low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.1 | -37.3 | 174 | -87.8 | -172.9 | 155.1 | 0 | 0 | 112.8 | D184 R190 | D184-E188 PolarHBondContact O-N 3.16Å; E188-R190 PolarHBondContact O-N 3.3Å |
| 189 | L | 64.8 | Low | 63.9 | Low | 155 Ų | 155 | 132.6 Ų | 132.6 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -12 | 177 | -75 | 168.2 | 0 | 0 | 0 | 114 | G185 Q187 | G185-L189 WeakPolarHBondContact O-CD1 3.35Å; G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 3.11Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 3.49Å |
| 190 | R | 54.2 | Low | 63.5 | Low | 229 Ų | 229 | 134.3 Ų | 134.3 | 86% | 0.864 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -6.2 | -177.3 | -150.9 | -174.8 | -128.8 | -172.2 | 3.5 | 113.1 | V186 Q187 E188 | V186-R190 PolarHBondContact O-N 3.45Å; Q187-R190 PolarHBondContact O-N 3Å; Q187-R190 VanDerWaalsContact O-N 3.16Å; E188-R190 PolarHBondContact O-N 3.3Å |
| 191 | A | 51.7 | Low | 63.2 | Low | 143 Ų | 143 | 136.4 Ų | 136.4 | 100% | 1.182 | 69% | 0.687 | S | S | * | * | trans | -93.8 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q187 | Q187-A191 PolarHBondContact O-N 3.35Š|
Retrieved 191 of 191 residues in 567.6 ms
(Link to these results)