| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.3 | Very low | 63.2 | Low | 200 Ų | 200 | 110.9 Ų | 110.9 | 99% | 0.985 | 56% | 0.555 | S | S | * | * | 0 | -46.4 | 0 | -157.3 | 163.7 | 117 | 0 | 0 | 111.9 | T3 | M1-T3 PolarHBondContact O-N 3.2Š| |||
| 2 | A | 54.6 | Low | 64.2 | Low | 53 Ų | 53 | 109.2 Ų | 109.2 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -29.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N4 V5 Y6 | A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 3.34Å; A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; A2-Y6 HydrophobicContact CB-CD2 4.15Å; A2-Y6 HydrophobicContact CB-CE2 3.67Å; A2-Y6 WeakPolarHBondContact O-CD2 3.47Å; A2-Y6 PolarHBondContact O-N 2.9Å; A2-Y6 VanDerWaalsContact O-N 3.11Å |
| 3 | T | 56.3 | Low | 65.3 | Low | 109 Ų | 109 | 105.9 Ų | 105.9 | 67% | 0.669 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.5 | -37.3 | -175.7 | -35.5 | 0 | 0 | 0 | 0 | 113.9 | M1 R7 | M1-T3 PolarHBondContact O-N 3.2Å; T3-R7 WeakPolarHBondContact O-CB 3.48Å; T3-R7 PolarHBondContact O-N 3.04Å; T3-R7 VanDerWaalsContact O-N 3.12Å |
| 4 | N | 53.7 | Low | 66.4 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.7 | -31.7 | -179.5 | -68.1 | -1 | 0 | 0 | 0 | 112.3 | A2 R7 S8 | A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 3.34Å; N4-R7 PolarHBondContact O-N 3.21Å; N4-S8 PolarHBondContact O-N 3.49Å; N4-S8 PolarHBondContact O-OG 3.17Å |
| 5 | V | 56.1 | Low | 67.2 | Low | 82 Ų | 82 | 105 Ų | 105 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.1 | -47.1 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | A2 R7 S8 V9 | A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; V5-R7 VanDerWaalsContact C-N 3.3Å; V5-R7 PolarHBondContact O-N 3.05Å; V5-S8 PolarHBondContact O-N 3.02Å; V5-S8 PolarHBondContact O-OG 3.11Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.46Å; V5-V9 PolarHBondContact O-N 3.42Å |
| 6 | Y | 70.2 | Confident | 67.8 | Low | 144 Ų | 144 | 103.3 Ų | 103.3 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 176.2 | -65.9 | -61.1 | 0 | 0 | 0 | 111.3 | A2 S8 V9 Y10 | A2-Y6 HydrophobicContact CB-CD2 4.15Å; A2-Y6 HydrophobicContact CB-CE2 3.67Å; A2-Y6 WeakPolarHBondContact O-CD2 3.47Å; A2-Y6 PolarHBondContact O-N 2.9Å; A2-Y6 VanDerWaalsContact O-N 3.11Å; Y6-S8 PolarHBondContact O-N 3.29Å; Y6-V9 PolarHBondContact O-N 2.89Å; Y6-Y10 WeakPolarHBondContact O-CB 3.38Å; Y6-Y10 WeakPolarHBondContact O-CD2 3.2Å; Y6-Y10 PolarHBondContact O-N 3.41Å |
| 7 | R | 62.2 | Low | 68.3 | Low | 180 Ų | 180 | 107.5 Ų | 107.5 | 68% | 0.679 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 179.2 | -167.5 | 171.5 | -174.5 | 157.3 | 1.6 | 112.8 | T3 N4 V5 Y10 L11 | T3-R7 WeakPolarHBondContact O-CB 3.48Å; T3-R7 PolarHBondContact O-N 3.04Å; T3-R7 VanDerWaalsContact O-N 3.12Å; N4-R7 PolarHBondContact O-N 3.21Å; V5-R7 VanDerWaalsContact C-N 3.3Å; V5-R7 PolarHBondContact O-N 3.05Å; R7-Y10 PolarHBondContact O-N 2.99Å; R7-L11 HydrophobicContact CG-CD1 4.31Å; R7-L11 WeakPolarHBondContact O-CB 3.48Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.3Å; R7-L11 PolarHBondContact O-N 2.92Å |
| 8 | S | 67.8 | Low | 68.7 | Low | 30 Ų | 30 | 105.6 Ų | 105.6 | 21% | 0.21 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 177.2 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | N4 V5 Y6 L11 F12 | N4-S8 PolarHBondContact O-N 3.49Å; N4-S8 PolarHBondContact O-OG 3.17Å; V5-S8 PolarHBondContact O-N 3.02Å; V5-S8 PolarHBondContact O-OG 3.11Å; Y6-S8 PolarHBondContact O-N 3.29Å; S8-L11 PolarHBondContact O-N 2.94Å; S8-F12 WeakPolarHBondContact O-CB 3.4Å; S8-F12 PolarHBondContact O-N 2.92Å |
| 9 | V | 73.8 | Confident | 68.7 | Low | 72 Ų | 72 | 102.4 Ų | 102.4 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 111 | V5 Y6 F12 I13 | V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.46Å; V5-V9 PolarHBondContact O-N 3.42Å; Y6-V9 PolarHBondContact O-N 2.89Å; V9-F12 WeakPolarHBondContact O-CB 3.48Å; V9-F12 PolarHBondContact O-N 2.92Å; V9-I13 HydrophobicContact CG1-CD1 3.85Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.26Å |
| 10 | Y | 75.9 | Confident | 68.6 | Low | 164 Ų | 164 | 100.3 Ų | 100.3 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 177.1 | -80.6 | -64.2 | 0 | 0 | 0 | 112.5 | Y6 R7 F12 I13 F14 | Y6-Y10 WeakPolarHBondContact O-CB 3.38Å; Y6-Y10 WeakPolarHBondContact O-CD2 3.2Å; Y6-Y10 PolarHBondContact O-N 3.41Å; R7-Y10 PolarHBondContact O-N 2.99Å; Y10-F12 VanDerWaalsContact C-N 3.33Å; Y10-I13 PolarHBondContact O-N 3.25Å; Y10-F14 WeakPolarHBondContact O-CB 3.38Å; Y10-F14 PolarHBondContact O-N 2.8Å |
| 11 | L | 76.7 | Confident | 68.5 | Low | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 174.7 | -75.7 | 168.1 | 0 | 0 | 0 | 111.1 | R7 S8 F14 F15 | R7-L11 HydrophobicContact CG-CD1 4.31Å; R7-L11 WeakPolarHBondContact O-CB 3.48Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.3Å; R7-L11 PolarHBondContact O-N 2.92Å; S8-L11 PolarHBondContact O-N 2.94Å; L11-F14 PolarHBondContact O-N 3.27Å; L11-F15 HydrophobicContact CD2-CE2 4.35Å; L11-F15 WeakPolarHBondContact O-CD2 3.15Å; L11-F15 PolarHBondContact O-N 3.4Å |
| 12 | F | 75.6 | Confident | 69.2 | Low | 90 Ų | 90 | 93.7 Ų | 93.7 | 40% | 0.395 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 176 | 177 | -96.2 | 0 | 0 | 0 | 111.8 | S8 V9 Y10 F14 F15 D16 | S8-F12 WeakPolarHBondContact O-CB 3.4Å; S8-F12 PolarHBondContact O-N 2.92Å; V9-F12 WeakPolarHBondContact O-CB 3.48Å; V9-F12 PolarHBondContact O-N 2.92Å; Y10-F12 VanDerWaalsContact C-N 3.33Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.59Å; F12-F15 PolarHBondContact O-N 2.97Å; F12-D16 WeakPolarHBondContact O-CB 3.39Å; F12-D16 PolarHBondContact O-N 2.68Å |
| 13 | I | 78.3 | Confident | 69.5 | Low | 67 Ų | 67 | 93.7 Ų | 93.7 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 179.1 | -65.2 | 166.6 | 0 | 0 | 0 | 111.4 | V9 Y10 R17 | V9-I13 HydrophobicContact CG1-CD1 3.85Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.26Å; Y10-I13 PolarHBondContact O-N 3.25Å; I13-R17 WeakPolarHBondContact O-CG 3.47Å; I13-R17 PolarHBondContact O-N 3.48Å |
| 14 | F | 80.7 | Confident | 69.8 | Low | 120 Ų | 120 | 93.6 Ų | 93.6 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 176.8 | 171.5 | -95.4 | 0 | 0 | 0 | 111.4 | Y10 L11 F12 R17 L18 | Y10-F14 WeakPolarHBondContact O-CB 3.38Å; Y10-F14 PolarHBondContact O-N 2.8Å; L11-F14 PolarHBondContact O-N 3.27Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.59Å; F14-R17 PolarHBondContact O-N 3.28Å; F14-L18 HydrophobicContact CE1-CD2 4.14Å; F14-L18 HydrophobicContact CZ-CD2 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.19Å; F14-L18 PolarHBondContact O-N 3.12Å |
| 15 | F | 77.6 | Confident | 69.9 | Low | 78 Ų | 78 | 95.3 Ų | 95.3 | 34% | 0.342 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 179.4 | -77.3 | -64.1 | 0 | 0 | 0 | 112.3 | L11 F12 R17 L18 F19 | L11-F15 HydrophobicContact CD2-CE2 4.35Å; L11-F15 WeakPolarHBondContact O-CD2 3.15Å; L11-F15 PolarHBondContact O-N 3.4Å; F12-F15 PolarHBondContact O-N 2.97Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 2.79Å; F15-L18 HydrophobicContact CD1-CD2 4.24Å; F15-L18 PolarHBondContact O-N 3.4Å; F15-F19 HydrophobicContact CB-CD2 4.23Å; F15-F19 HydrophobicContact CB-CE2 3.93Å; F15-F19 AromaticContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CZ 4.29Å; F15-F19 HydrophobicContact CG-CE2 4.33Å; F15-F19 WeakPolarHBondContact O-CD2 3.39Å; F15-F19 WeakPolarHBondContact O-CG 3.48Å; F15-F19 PolarHBondContact O-N 3.29Å |
| 16 | D | 77.8 | Confident | 69.9 | Low | 77 Ų | 77 | 93.2 Ų | 93.2 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56 | -47.2 | 175.7 | -170.3 | 69.1 | 0 | 0 | 0 | 111.6 | F12 S20 | F12-D16 WeakPolarHBondContact O-CB 3.39Å; F12-D16 PolarHBondContact O-N 2.68Å; D16-S20 WeakPolarHBondContact O-CB 3.44Å; D16-S20 PolarHBondContact O-N 2.88Å |
| 17 | R | 75 | Confident | 69.2 | Low | 176 Ų | 176 | 89.2 Ų | 89.2 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 175.4 | -71.5 | -179.4 | 178.6 | -169.2 | -1.2 | 113.3 | I13 F14 F15 F19 S20 T21 | I13-R17 WeakPolarHBondContact O-CG 3.47Å; I13-R17 PolarHBondContact O-N 3.48Å; F14-R17 PolarHBondContact O-N 3.28Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 2.79Å; R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 3.21Å; R17-S20 PolarHBondContact O-N 3.34Å; R17-T21 PolarHBondContact O-N 3.44Å; R17-T21 PolarHBondContact O-OG1 2.83Å |
| 18 | L | 75.5 | Confident | 69 | Low | 73 Ų | 73 | 87.5 Ų | 87.5 | 38% | 0.382 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 179.2 | -179.7 | 66.1 | 0 | 0 | 0 | 110.7 | F14 F15 T21 L22 | F14-L18 HydrophobicContact CE1-CD2 4.14Å; F14-L18 HydrophobicContact CZ-CD2 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.19Å; F14-L18 PolarHBondContact O-N 3.12Å; F15-L18 HydrophobicContact CD1-CD2 4.24Å; F15-L18 PolarHBondContact O-N 3.4Å; L18-T21 PolarHBondContact O-N 3.39Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.46Å |
| 19 | F | 69.7 | Low | 68.5 | Low | 45 Ų | 45 | 92.2 Ų | 92.2 | 20% | 0.197 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.6 | -43 | 179.2 | -66.3 | -56.4 | 0 | 0 | 0 | 112.1 | F15 R17 T21 L22 D23 T46 N50 | F15-F19 HydrophobicContact CB-CD2 4.23Å; F15-F19 HydrophobicContact CB-CE2 3.93Å; F15-F19 AromaticContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CZ 4.29Å; F15-F19 HydrophobicContact CG-CE2 4.33Å; F15-F19 WeakPolarHBondContact O-CD2 3.39Å; F15-F19 WeakPolarHBondContact O-CG 3.48Å; F15-F19 PolarHBondContact O-N 3.29Å; R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 3.21Å; F19-T21 PolarHBondContact O-N 2.89Å; F19-T21 VanDerWaalsContact O-N 3.14Å; F19-L22 HydrophobicContact CD1-CD1 4.03Å; F19-L22 HydrophobicContact CE1-CD1 4.46Å; F19-L22 WeakPolarHBondContact O-CB 3.49Å; F19-L22 PolarHBondContact O-N 2.76Å; F19-D23 PolarHBondContact O-N 2.77Å; F19-D23 VanDerWaalsContact O-OD1 3.09Å; F19-T46 HydrophobicContact CE1-CG2 4.04Å; F19-T46 HydrophobicContact CE2-CG2 4.05Å; F19-T46 HydrophobicContact CZ-CG2 3.77Å; F19-N50 WeakPolarHBondContact CE2-ND2 3.21Å |
| 20 | S | 66 | Low | 67.5 | Low | 59 Ų | 59 | 96.3 Ų | 96.3 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.7 | -31.8 | 174.9 | 177.3 | 0 | 0 | 0 | 0 | 112.9 | D16 R17 N24 | D16-S20 WeakPolarHBondContact O-CB 3.44Å; D16-S20 PolarHBondContact O-N 2.88Å; R17-S20 PolarHBondContact O-N 3.34Å; S20-N24 PolarHBondContact O-N 2.85Å; S20-N24 PolarHBondContact O-ND2 3.06Å |
| 21 | T | 66.7 | Low | 66.6 | Low | 74 Ų | 74 | 96.4 Ų | 96.4 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.4 | -43.5 | 175.8 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | R17 L18 F19 D23 N24 E25 | R17-T21 PolarHBondContact O-N 3.44Å; R17-T21 PolarHBondContact O-OG1 2.83Å; L18-T21 PolarHBondContact O-N 3.39Å; F19-T21 PolarHBondContact O-N 2.89Å; F19-T21 VanDerWaalsContact O-N 3.14Å; T21-D23 PolarHBondContact O-N 3.29Å; T21-N24 PolarHBondContact O-N 3.28Å; T21-E25 PolarHBondContact O-N 3.48Å |
| 22 | L | 63.3 | Low | 65.3 | Low | 89 Ų | 89 | 96 Ų | 96 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 175.6 | -69.6 | 169.9 | 0 | 0 | 0 | 112 | L18 F19 A26 | L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.46Å; F19-L22 HydrophobicContact CD1-CD1 4.03Å; F19-L22 HydrophobicContact CE1-CD1 4.46Å; F19-L22 WeakPolarHBondContact O-CB 3.49Å; F19-L22 PolarHBondContact O-N 2.76Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-N 3.08Å |
| 23 | D | 59.9 | Low | 64.3 | Low | 52 Ų | 52 | 101.6 Ų | 101.6 | 28% | 0.278 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.5 | -40.6 | 178.8 | -57.9 | -11.9 | 0 | 0 | 0 | 112 | F19 T21 A26 A27 I43 | F19-D23 PolarHBondContact O-N 2.77Å; F19-D23 VanDerWaalsContact O-OD1 3.09Å; T21-D23 PolarHBondContact O-N 3.29Å; D23-A26 PolarHBondContact O-N 3.11Å; D23-A27 WeakPolarHBondContact O-CB 3.48Å; D23-A27 PolarHBondContact O-N 3.4Å; D23-A27 VanDerWaalsContact O-N 3.16Å; D23-I43 HydrophobicContact CB-CD1 4.26Å; D23-I43 WeakPolarHBondContact OD1-CD1 3.03Å; D23-I43 VanDerWaalsContact OD1-CG1 3.27Å; D23-I43 WeakPolarHBondContact OD1-CG1 3.11Å; D23-I43 VanDerWaalsContact OD2-CD1 3.31Å; D23-I43 WeakPolarHBondContact OD2-CD1 3.37Å |
| 24 | N | 62.5 | Low | 63.2 | Low | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.7 | -40.5 | 177.2 | -69.1 | -36.5 | 0 | 0 | 0 | 111.2 | S20 T21 A26 A27 | S20-N24 PolarHBondContact O-N 2.85Å; S20-N24 PolarHBondContact O-ND2 3.06Å; T21-N24 PolarHBondContact O-N 3.28Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.42Å; N24-A27 PolarHBondContact O-N 3.33Å |
| 25 | E | 57.1 | Low | 61.9 | Low | 137 Ų | 137 | 97 Ų | 97 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -34.2 | 175.2 | -76.8 | -178.3 | 175.9 | 0 | 0 | 112.2 | T21 A27 | T21-E25 PolarHBondContact O-N 3.48Å; E25-A27 VanDerWaalsContact C-N 3.3Å; E25-A27 PolarHBondContact O-N 3.39Å |
| 26 | A | 56.6 | Low | 60.7 | Low | 39 Ų | 39 | 96.3 Ų | 96.3 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.5 | -20.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L22 D23 N24 | L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-N 3.08Å; D23-A26 PolarHBondContact O-N 3.11Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.42Å |
| 27 | A | 55 | Low | 59.7 | Low | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -84.8 | -20.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D23 N24 E25 D29 | D23-A27 WeakPolarHBondContact O-CB 3.48Å; D23-A27 PolarHBondContact O-N 3.4Å; D23-A27 VanDerWaalsContact O-N 3.16Å; N24-A27 PolarHBondContact O-N 3.33Å; E25-A27 VanDerWaalsContact C-N 3.3Å; E25-A27 PolarHBondContact O-N 3.39Å; A27-D29 PolarHBondContact O-N 2.95Å |
| 28 | D | 57.6 | Low | 58.8 | Low | 144 Ų | 144 | 99.7 Ų | 99.7 | 77% | 0.77 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -75.2 | -9 | 178.8 | -90.5 | -7.1 | 0 | 0 | 0 | 113.3 | D30 | D28-D30 PolarHBondContact O-N 3.04Š|
| 29 | D | 56.1 | Low | 57.9 | Low | 129 Ų | 129 | 100.1 Ų | 100.1 | 69% | 0.69 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -87.1 | 87 | 170.1 | -91.5 | -16.6 | 0 | 0 | 0 | 110.4 | A27 D31 | A27-D29 PolarHBondContact O-N 2.95Å; D29-D31 PolarHBondContact O-N 3.4Å |
| 30 | D | 54.1 | Low | 57.4 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 85% | 0.85 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -6.1 | -170.3 | -114.9 | -20.5 | 0 | 0 | 0 | 119.2 | D28 | D28-D30 PolarHBondContact O-N 3.04Š|
| 31 | D | 55.8 | Low | 57.2 | Low | 166 Ų | 166 | 103.2 Ų | 103.2 | 89% | 0.888 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 5.6 | -172.6 | -81.2 | -29.8 | 0 | 0 | 0 | 115.2 | D29 | D29-D31 PolarHBondContact O-N 3.4Š|
| 32 | N | 51 | Low | 57 | Low | 75 Ų | 75 | 106.4 Ų | 106.4 | 40% | 0.401 | 54% | 0.543 | S | S | . | . | trans | -122.7 | 44.3 | -154.9 | -131.8 | -0.2 | 0 | 0 | 0 | 114.9 | S34 S35 V36 | N32-S34 PolarHBondContact O-N 3.11Å; N32-S35 WeakPolarHBondContact CB-OG 3.27Å; N32-S35 VanDerWaalsContact ND2-CB 3.31Å; N32-S35 WeakPolarHBondContact ND2-CB 3.48Å; N32-S35 PolarHBondContact ND2-OG 3.21Å; N32-S35 WeakPolarHBondContact O-CA 3.3Å; N32-S35 WeakPolarHBondContact O-CB 3.46Å; N32-S35 PolarHBondContact O-N 3.19Å; N32-S35 PolarHBondContact O-OG 2.9Å; N32-S35 WeakPolarHBondContact OD1-CB 3.27Å; N32-V36 PolarHBondContact O-N 3.41Å | ||
| 33 | Y | 53.5 | Low | 56.9 | Low | 209 Ų | 209 | 103.1 Ų | 103.1 | 82% | 0.82 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -53.8 | -31.1 | 176 | -131.7 | -86.3 | 0 | 0 | 0 | 113.4 | ||
| 34 | S | 54.9 | Low | 56.9 | Low | 77 Ų | 77 | 104.3 Ų | 104.3 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.6 | -40 | 173.4 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | N32 V36 Y37 F38 | N32-S34 PolarHBondContact O-N 3.11Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 3.03Å; S34-Y37 PolarHBondContact O-N 3.44Å; S34-F38 WeakPolarHBondContact O-CD2 3.46Å; S34-F38 PolarHBondContact O-N 3.41Å; S34-F38 VanDerWaalsContact O-N 3.17Å |
| 35 | S | 54.6 | Low | 56.9 | Low | 12 Ų | 12 | 104 Ų | 104 | 8% | 0.084 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 175.8 | 86.6 | 0 | 0 | 0 | 0 | 111.2 | N32 Y37 F38 H39 | N32-S35 WeakPolarHBondContact CB-OG 3.27Å; N32-S35 VanDerWaalsContact ND2-CB 3.31Å; N32-S35 WeakPolarHBondContact ND2-CB 3.48Å; N32-S35 PolarHBondContact ND2-OG 3.21Å; N32-S35 WeakPolarHBondContact O-CA 3.3Å; N32-S35 WeakPolarHBondContact O-CB 3.46Å; N32-S35 PolarHBondContact O-N 3.19Å; N32-S35 PolarHBondContact O-OG 2.9Å; N32-S35 WeakPolarHBondContact OD1-CB 3.27Å; S35-Y37 VanDerWaalsContact C-N 3.27Å; S35-Y37 PolarHBondContact O-N 3.46Å; S35-F38 CarbonylContact O-C 3.56Å; S35-F38 PolarHBondContact O-N 2.88Å; S35-F38 VanDerWaalsContact O-N 3.13Å; S35-H39 VanDerWaalsContact O-CB 3.24Å; S35-H39 WeakPolarHBondContact O-CB 3.29Å; S35-H39 PolarHBondContact O-CD2 2.97Å; S35-H39 PolarHBondContact O-N 3.27Å |
| 36 | V | 52.1 | Low | 57.1 | Low | 65 Ų | 65 | 99.6 Ų | 99.6 | 39% | 0.394 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 177.4 | 179.2 | 0 | 0 | 0 | 0 | 111 | N32 S34 T40 | N32-V36 PolarHBondContact O-N 3.41Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 3.03Å; V36-T40 HydrophobicContact CG1-CG2 4.24Å; V36-T40 VanDerWaalsContact O-CB 3.32Å; V36-T40 WeakPolarHBondContact O-CB 3.43Å; V36-T40 VanDerWaalsContact O-CG2 3.25Å; V36-T40 WeakPolarHBondContact O-CG2 3.09Å; V36-T40 PolarHBondContact O-N 3.45Å; V36-T40 PolarHBondContact O-OG1 3.42Å |
| 37 | Y | 55.8 | Low | 57.3 | Low | 180 Ų | 180 | 100.1 Ų | 100.1 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.3 | -43.7 | 176.2 | -119.8 | -85.2 | 0 | 0 | 0 | 112.4 | S34 S35 H39 T40 E41 | S34-Y37 PolarHBondContact O-N 3.44Å; S35-Y37 VanDerWaalsContact C-N 3.27Å; S35-Y37 PolarHBondContact O-N 3.46Å; Y37-H39 VanDerWaalsContact C-N 3.33Å; Y37-H39 PolarHBondContact O-N 2.85Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.39Å; Y37-T40 PolarHBondContact O-OG1 2.92Å; Y37-T40 VanDerWaalsContact O-OG1 3.13Å; Y37-E41 WeakPolarHBondContact O-CB 3.36Å; Y37-E41 PolarHBondContact O-N 3.49Å |
| 38 | F | 57.8 | Low | 57.5 | Low | 144 Ų | 144 | 102.1 Ų | 102.1 | 63% | 0.632 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -35.8 | 176.3 | -76.1 | -65.1 | 0 | 0 | 0 | 112.7 | S34 S35 K42 | S34-F38 WeakPolarHBondContact O-CD2 3.46Å; S34-F38 PolarHBondContact O-N 3.41Å; S34-F38 VanDerWaalsContact O-N 3.17Å; S35-F38 CarbonylContact O-C 3.56Å; S35-F38 PolarHBondContact O-N 2.88Å; S35-F38 VanDerWaalsContact O-N 3.13Å; F38-K42 WeakPolarHBondContact O-CB 3.31Å; F38-K42 PolarHBondContact O-N 3.02Å |
| 39 | H | 55.5 | Low | 58 | Low | 82 Ų | 82 | 97 Ų | 97 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.6 | -51.6 | 176.7 | -77 | -70 | 0 | 0 | 0 | 109.5 | S35 Y37 E41 K42 I43 | S35-H39 VanDerWaalsContact O-CB 3.24Å; S35-H39 WeakPolarHBondContact O-CB 3.29Å; S35-H39 PolarHBondContact O-CD2 2.97Å; S35-H39 PolarHBondContact O-N 3.27Å; Y37-H39 VanDerWaalsContact C-N 3.33Å; Y37-H39 PolarHBondContact O-N 2.85Å; H39-E41 VanDerWaalsContact C-N 3.29Å; H39-E41 PolarHBondContact O-N 2.97Å; H39-K42 CarbonylContact O-C 3.6Å; H39-K42 WeakPolarHBondContact O-CA 3.35Å; H39-K42 WeakPolarHBondContact O-CB 3.48Å; H39-K42 PolarHBondContact O-N 2.94Å; H39-I43 VanDerWaalsContact C-CD1 3.41Å; H39-I43 HydrophobicContact CB-CD1 4.14Å; H39-I43 WeakPolarHBondContact O-CB 2.99Å; H39-I43 WeakPolarHBondContact O-CD1 3.33Å; H39-I43 WeakPolarHBondContact O-CG1 3.34Å; H39-I43 PolarHBondContact O-N 3.06Å |
| 40 | T | 60.5 | Low | 58.7 | Low | 59 Ų | 59 | 93.2 Ų | 93.2 | 36% | 0.362 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 177.9 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | V36 Y37 I43 N44 | V36-T40 HydrophobicContact CG1-CG2 4.24Å; V36-T40 VanDerWaalsContact O-CB 3.32Å; V36-T40 WeakPolarHBondContact O-CB 3.43Å; V36-T40 VanDerWaalsContact O-CG2 3.25Å; V36-T40 WeakPolarHBondContact O-CG2 3.09Å; V36-T40 PolarHBondContact O-N 3.45Å; V36-T40 PolarHBondContact O-OG1 3.42Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.39Å; Y37-T40 PolarHBondContact O-OG1 2.92Å; Y37-T40 VanDerWaalsContact O-OG1 3.13Å; T40-I43 PolarHBondContact O-N 2.85Å; T40-N44 VanDerWaalsContact O-CB 3.3Å; T40-N44 WeakPolarHBondContact O-CB 3.35Å; T40-N44 VanDerWaalsContact O-CG 3.29Å; T40-N44 PolarHBondContact O-N 3.38Å; T40-N44 PolarHBondContact O-ND2 2.84Å; T40-N44 VanDerWaalsContact O-ND2 3.15Å |
| 41 | E | 61 | Low | 59.3 | Low | 110 Ų | 110 | 93.8 Ų | 93.8 | 51% | 0.514 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 170.8 | -171 | 178.8 | -174.5 | 0 | 0 | 111.6 | Y37 H39 I43 N44 N45 | Y37-E41 WeakPolarHBondContact O-CB 3.36Å; Y37-E41 PolarHBondContact O-N 3.49Å; H39-E41 VanDerWaalsContact C-N 3.29Å; H39-E41 PolarHBondContact O-N 2.97Å; E41-I43 VanDerWaalsContact C-N 3.31Å; E41-I43 PolarHBondContact O-N 3.29Å; E41-N44 PolarHBondContact O-N 2.86Å; E41-N45 VanDerWaalsContact O-CB 3.27Å; E41-N45 WeakPolarHBondContact O-CB 3.33Å; E41-N45 VanDerWaalsContact O-CG 3.31Å; E41-N45 PolarHBondContact O-N 3.05Å; E41-N45 PolarHBondContact O-ND2 3.45Å |
| 42 | K | 61.9 | Low | 60.1 | Low | 140 Ų | 140 | 93.6 Ų | 93.6 | 61% | 0.609 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.5 | -36.5 | 176.5 | -170 | 177.2 | -176.1 | -177.6 | 0 | 111.9 | F38 H39 T46 | F38-K42 WeakPolarHBondContact O-CB 3.31Å; F38-K42 PolarHBondContact O-N 3.02Å; H39-K42 CarbonylContact O-C 3.6Å; H39-K42 WeakPolarHBondContact O-CA 3.35Å; H39-K42 WeakPolarHBondContact O-CB 3.48Å; H39-K42 PolarHBondContact O-N 2.94Å; K42-T46 WeakPolarHBondContact O-CB 3.4Å; K42-T46 PolarHBondContact O-N 2.88Å; K42-T46 PolarHBondContact O-OG1 3.37Å |
| 43 | I | 61.6 | Low | 61.4 | Low | 20 Ų | 20 | 95.9 Ų | 95.9 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -71.3 | -47.8 | 177.5 | -65.5 | 147.9 | 0 | 0 | 0 | 109.1 | D23 H39 T40 E41 N45 T46 I47 | D23-I43 HydrophobicContact CB-CD1 4.26Å; D23-I43 WeakPolarHBondContact OD1-CD1 3.03Å; D23-I43 VanDerWaalsContact OD1-CG1 3.27Å; D23-I43 WeakPolarHBondContact OD1-CG1 3.11Å; D23-I43 VanDerWaalsContact OD2-CD1 3.31Å; D23-I43 WeakPolarHBondContact OD2-CD1 3.37Å; H39-I43 VanDerWaalsContact C-CD1 3.41Å; H39-I43 HydrophobicContact CB-CD1 4.14Å; H39-I43 WeakPolarHBondContact O-CB 2.99Å; H39-I43 WeakPolarHBondContact O-CD1 3.33Å; H39-I43 WeakPolarHBondContact O-CG1 3.34Å; H39-I43 PolarHBondContact O-N 3.06Å; T40-I43 PolarHBondContact O-N 2.85Å; E41-I43 VanDerWaalsContact C-N 3.31Å; E41-I43 PolarHBondContact O-N 3.29Å; I43-N45 VanDerWaalsContact C-N 3.31Å; I43-N45 PolarHBondContact O-N 3.41Å; I43-T46 CarbonylContact O-C 3.44Å; I43-T46 WeakPolarHBondContact O-CA 3.25Å; I43-T46 WeakPolarHBondContact O-CB 3.32Å; I43-T46 PolarHBondContact O-N 3.22Å; I43-I47 HydrophobicContact CG2-CD1 3.51Å; I43-I47 HydrophobicContact CG2-CG1 4.01Å; I43-I47 WeakPolarHBondContact O-CB 3.32Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.26Å |
| 44 | N | 60.2 | Low | 62.6 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 173.6 | -78.5 | -36.7 | 0 | 0 | 0 | 110.3 | T40 E41 T46 I47 F48 | T40-N44 VanDerWaalsContact O-CB 3.3Å; T40-N44 WeakPolarHBondContact O-CB 3.35Å; T40-N44 VanDerWaalsContact O-CG 3.29Å; T40-N44 PolarHBondContact O-N 3.38Å; T40-N44 PolarHBondContact O-ND2 2.84Å; T40-N44 VanDerWaalsContact O-ND2 3.15Å; E41-N44 PolarHBondContact O-N 2.86Å; N44-T46 VanDerWaalsContact C-N 3.27Å; N44-T46 PolarHBondContact O-N 3.42Å; N44-I47 PolarHBondContact O-N 3.23Å; N44-F48 HydrophobicContact CB-CD2 4.06Å; N44-F48 HydrophobicContact CB-CE2 4.06Å; N44-F48 VanDerWaalsContact O-CB 3.26Å; N44-F48 WeakPolarHBondContact O-CB 3.45Å; N44-F48 WeakPolarHBondContact O-CD2 3.28Å; N44-F48 WeakPolarHBondContact O-CG 3.14Å; N44-F48 PolarHBondContact O-N 3.03Å |
| 45 | N | 61.6 | Low | 63.7 | Low | 101 Ų | 101 | 91.6 Ų | 91.6 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.9 | -32.7 | 174.7 | -75.4 | -21.3 | 0 | 0 | 0 | 112.6 | E41 I43 G49 | E41-N45 VanDerWaalsContact O-CB 3.27Å; E41-N45 WeakPolarHBondContact O-CB 3.33Å; E41-N45 VanDerWaalsContact O-CG 3.31Å; E41-N45 PolarHBondContact O-N 3.05Å; E41-N45 PolarHBondContact O-ND2 3.45Å; I43-N45 VanDerWaalsContact C-N 3.31Å; I43-N45 PolarHBondContact O-N 3.41Å; N45-G49 WeakPolarHBondContact O-CA 3.48Å; N45-G49 PolarHBondContact O-N 3.06Å |
| 46 | T | 61.2 | Low | 64.9 | Low | 43 Ų | 43 | 95.7 Ų | 95.7 | 26% | 0.264 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.5 | -42.6 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | F19 K42 I43 N44 N50 | F19-T46 HydrophobicContact CE1-CG2 4.04Å; F19-T46 HydrophobicContact CE2-CG2 4.05Å; F19-T46 HydrophobicContact CZ-CG2 3.77Å; K42-T46 WeakPolarHBondContact O-CB 3.4Å; K42-T46 PolarHBondContact O-N 2.88Å; K42-T46 PolarHBondContact O-OG1 3.37Å; I43-T46 CarbonylContact O-C 3.44Å; I43-T46 WeakPolarHBondContact O-CA 3.25Å; I43-T46 WeakPolarHBondContact O-CB 3.32Å; I43-T46 PolarHBondContact O-N 3.22Å; N44-T46 VanDerWaalsContact C-N 3.27Å; N44-T46 PolarHBondContact O-N 3.42Å; T46-N50 WeakPolarHBondContact CG2-ND2 3.39Å; T46-N50 WeakPolarHBondContact O-CA 3.48Å; T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 3.34Å; T46-N50 PolarHBondContact O-ND2 2.87Å; T46-N50 VanDerWaalsContact O-ND2 3.09Å; T46-N50 PolarHBondContact O-OD1 2.75Å |
| 47 | I | 60.9 | Low | 66.1 | Low | 51 Ų | 51 | 95.9 Ų | 95.9 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.2 | -52.2 | 178.7 | -67.8 | 172.1 | 0 | 0 | 0 | 109.6 | I43 N44 N50 R51 | I43-I47 HydrophobicContact CG2-CD1 3.51Å; I43-I47 HydrophobicContact CG2-CG1 4.01Å; I43-I47 WeakPolarHBondContact O-CB 3.32Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.26Å; N44-I47 PolarHBondContact O-N 3.23Å; I47-N50 PolarHBondContact O-N 2.93Å; I47-R51 VanDerWaalsContact O-CB 3.32Å; I47-R51 WeakPolarHBondContact O-CB 2.96Å; I47-R51 PolarHBondContact O-N 3.19Å |
| 48 | F | 60.5 | Low | 67.1 | Low | 101 Ų | 101 | 89.6 Ų | 89.6 | 44% | 0.443 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 176.5 | -69.7 | -63.3 | 0 | 0 | 0 | 110 | N44 N50 R51 Y52 | N44-F48 HydrophobicContact CB-CD2 4.06Å; N44-F48 HydrophobicContact CB-CE2 4.06Å; N44-F48 VanDerWaalsContact O-CB 3.26Å; N44-F48 WeakPolarHBondContact O-CB 3.45Å; N44-F48 WeakPolarHBondContact O-CD2 3.28Å; N44-F48 WeakPolarHBondContact O-CG 3.14Å; N44-F48 PolarHBondContact O-N 3.03Å; F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 3.44Å; F48-R51 PolarHBondContact O-N 2.9Å; F48-R51 VanDerWaalsContact O-N 3.12Å; F48-Y52 HydrophobicContact CB-CE2 4.48Å; F48-Y52 WeakPolarHBondContact O-CD2 3.42Å; F48-Y52 PolarHBondContact O-N 2.96Å |
| 49 | G | 67.7 | Low | 68.1 | Low | 35 Ų | 35 | 87.2 Ų | 87.2 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N45 Y52 F53 | N45-G49 WeakPolarHBondContact O-CA 3.48Å; N45-G49 PolarHBondContact O-N 3.06Å; G49-Y52 PolarHBondContact O-N 2.79Å; G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 3.26Å |
| 50 | N | 70.4 | Confident | 69.3 | Low | 50 Ų | 50 | 89.5 Ų | 89.5 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 175.9 | -75.2 | -20.7 | 0 | 0 | 0 | 111.7 | F19 T46 I47 F48 F53 I54 | F19-N50 WeakPolarHBondContact CE2-ND2 3.21Å; T46-N50 WeakPolarHBondContact CG2-ND2 3.39Å; T46-N50 WeakPolarHBondContact O-CA 3.48Å; T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 3.34Å; T46-N50 PolarHBondContact O-ND2 2.87Å; T46-N50 VanDerWaalsContact O-ND2 3.09Å; T46-N50 PolarHBondContact O-OD1 2.75Å; I47-N50 PolarHBondContact O-N 2.93Å; F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 3.44Å; N50-F53 PolarHBondContact O-N 3.37Å; N50-I54 VanDerWaalsContact O-CB 3.28Å; N50-I54 WeakPolarHBondContact O-CB 2.98Å; N50-I54 WeakPolarHBondContact O-CD1 3.06Å; N50-I54 WeakPolarHBondContact O-CG1 3.32Å; N50-I54 PolarHBondContact O-N 3.48Å |
| 51 | R | 67.2 | Low | 70 | Confident | 171 Ų | 171 | 90.9 Ų | 90.9 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 176.2 | -175.6 | 178 | 179.4 | -178.6 | 0.4 | 111.2 | I47 F48 K55 | I47-R51 VanDerWaalsContact O-CB 3.32Å; I47-R51 WeakPolarHBondContact O-CB 2.96Å; I47-R51 PolarHBondContact O-N 3.19Å; F48-R51 PolarHBondContact O-N 2.9Å; F48-R51 VanDerWaalsContact O-N 3.12Å; R51-K55 WeakPolarHBondContact O-CB 3.38Å; R51-K55 PolarHBondContact O-N 3.4Å |
| 52 | Y | 72.9 | Confident | 70.8 | Confident | 163 Ų | 163 | 90.1 Ų | 90.1 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 173.2 | -77.3 | -72.1 | 0 | 0 | 0 | 110.9 | F48 G49 K55 V56 | F48-Y52 HydrophobicContact CB-CE2 4.48Å; F48-Y52 WeakPolarHBondContact O-CD2 3.42Å; F48-Y52 PolarHBondContact O-N 2.96Å; G49-Y52 PolarHBondContact O-N 2.79Å; Y52-K55 WeakPolarHBondContact O-CB 3.4Å; Y52-K55 PolarHBondContact O-N 3.46Å; Y52-V56 WeakPolarHBondContact O-CG2 3.27Å; Y52-V56 PolarHBondContact O-N 3.3Å |
| 53 | F | 77.3 | Confident | 71.4 | Confident | 122 Ų | 122 | 90.3 Ų | 90.3 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 178.5 | 177.8 | -101.1 | 0 | 0 | 0 | 112.2 | G49 N50 K55 V56 L57 | G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 3.26Å; N50-F53 PolarHBondContact O-N 3.37Å; F53-K55 VanDerWaalsContact C-N 3.28Å; F53-K55 PolarHBondContact O-N 3Å; F53-V56 PolarHBondContact O-N 3.05Å; F53-L57 HydrophobicContact CE1-CD2 4.06Å; F53-L57 HydrophobicContact CZ-CD2 4.46Å; F53-L57 VanDerWaalsContact O-CB 3.25Å; F53-L57 WeakPolarHBondContact O-CB 3.34Å; F53-L57 PolarHBondContact O-N 3.2Å |
| 54 | I | 79.5 | Confident | 71.8 | Confident | 41 Ų | 41 | 92.4 Ų | 92.4 | 21% | 0.21 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.8 | -70.3 | 165 | 0 | 0 | 0 | 110.2 | N50 L57 N58 | N50-I54 VanDerWaalsContact O-CB 3.28Å; N50-I54 WeakPolarHBondContact O-CB 2.98Å; N50-I54 WeakPolarHBondContact O-CD1 3.06Å; N50-I54 WeakPolarHBondContact O-CG1 3.32Å; N50-I54 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 3.04Å; I54-N58 WeakPolarHBondContact CG2-ND2 3.11Å; I54-N58 VanDerWaalsContact O-CB 3.31Å; I54-N58 WeakPolarHBondContact O-CB 3.31Å; I54-N58 VanDerWaalsContact O-CG 3.25Å; I54-N58 PolarHBondContact O-N 3.14Å; I54-N58 PolarHBondContact O-ND2 3.12Å |
| 55 | K | 77.3 | Confident | 72 | Confident | 155 Ų | 155 | 94.2 Ų | 94.2 | 67% | 0.674 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.4 | -48 | 175.3 | -173.8 | -179 | 179 | -176.8 | 0 | 111.4 | R51 Y52 F53 N58 E59 | R51-K55 WeakPolarHBondContact O-CB 3.38Å; R51-K55 PolarHBondContact O-N 3.4Å; Y52-K55 WeakPolarHBondContact O-CB 3.4Å; Y52-K55 PolarHBondContact O-N 3.46Å; F53-K55 VanDerWaalsContact C-N 3.28Å; F53-K55 PolarHBondContact O-N 3Å; K55-N58 PolarHBondContact O-N 3.48Å; K55-E59 WeakPolarHBondContact O-CB 3.18Å; K55-E59 PolarHBondContact O-N 3.04Å |
| 56 | V | 79.1 | Confident | 72.3 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 59% | 0.594 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | Y52 F53 E59 Y60 | Y52-V56 WeakPolarHBondContact O-CG2 3.27Å; Y52-V56 PolarHBondContact O-N 3.3Å; F53-V56 PolarHBondContact O-N 3.05Å; V56-E59 PolarHBondContact O-N 2.77Å; V56-Y60 VanDerWaalsContact O-CB 3.31Å; V56-Y60 WeakPolarHBondContact O-CB 2.8Å; V56-Y60 PolarHBondContact O-N 3.33Å |
| 57 | L | 79.3 | Confident | 72.3 | Confident | 69 Ų | 69 | 98 Ų | 98 | 36% | 0.361 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 177.7 | 179.9 | 62.6 | 0 | 0 | 0 | 111.1 | F53 I54 Y60 L61 | F53-L57 HydrophobicContact CE1-CD2 4.06Å; F53-L57 HydrophobicContact CZ-CD2 4.46Å; F53-L57 VanDerWaalsContact O-CB 3.25Å; F53-L57 WeakPolarHBondContact O-CB 3.34Å; F53-L57 PolarHBondContact O-N 3.2Å; I54-L57 PolarHBondContact O-N 3.04Å; L57-Y60 PolarHBondContact O-N 3.01Å; L57-L61 HydrophobicContact CD1-CD1 4.4Å; L57-L61 HydrophobicContact CD1-CG 4.33Å; L57-L61 HydrophobicContact CG-CD1 4.18Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 2.93Å |
| 58 | N | 75.7 | Confident | 72.3 | Confident | 48 Ų | 48 | 102 Ų | 102 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 176.2 | -76.6 | -37.5 | 0 | 0 | 0 | 111.3 | I54 K55 Y60 L61 F62 | I54-N58 WeakPolarHBondContact CG2-ND2 3.11Å; I54-N58 VanDerWaalsContact O-CB 3.31Å; I54-N58 WeakPolarHBondContact O-CB 3.31Å; I54-N58 VanDerWaalsContact O-CG 3.25Å; I54-N58 PolarHBondContact O-N 3.14Å; I54-N58 PolarHBondContact O-ND2 3.12Å; K55-N58 PolarHBondContact O-N 3.48Å; N58-Y60 VanDerWaalsContact C-N 3.29Å; N58-Y60 PolarHBondContact O-N 3.4Å; N58-L61 PolarHBondContact O-N 2.86Å; N58-F62 HydrophobicContact CB-CD2 4.46Å; N58-F62 HydrophobicContact CB-CE2 4.28Å; N58-F62 WeakPolarHBondContact O-CD2 3Å; N58-F62 WeakPolarHBondContact O-CG 3.41Å; N58-F62 PolarHBondContact O-N 3.37Å |
| 59 | E | 78.3 | Confident | 72.1 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 175.9 | -180 | 64.9 | -161.1 | 0 | 0 | 111.6 | K55 V56 F62 R63 | K55-E59 WeakPolarHBondContact O-CB 3.18Å; K55-E59 PolarHBondContact O-N 3.04Å; V56-E59 PolarHBondContact O-N 2.77Å; E59-F62 PolarHBondContact O-N 3.39Å; E59-R63 VanDerWaalsContact O-CG 3.32Å; E59-R63 WeakPolarHBondContact O-CG 3.09Å; E59-R63 PolarHBondContact O-N 3.09Å; E59-R63 IonicContact OE1-CZ 3.37Å; E59-R63 IonicContact OE1-NE 3.03Å; E59-R63 PolarHBondContact OE1-NE 2.77Å; E59-R63 IonicContact OE1-NH2 2.84Å; E59-R63 PolarHBondContact OE1-NH2 2.74Å |
| 60 | Y | 80.8 | Confident | 71.4 | Confident | 131 Ų | 131 | 104.3 Ų | 104.3 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.3 | 177 | -103.6 | 0 | 0 | 0 | 112.5 | V56 L57 N58 F62 R63 L64 | V56-Y60 VanDerWaalsContact O-CB 3.31Å; V56-Y60 WeakPolarHBondContact O-CB 2.8Å; V56-Y60 PolarHBondContact O-N 3.33Å; L57-Y60 PolarHBondContact O-N 3.01Å; N58-Y60 VanDerWaalsContact C-N 3.29Å; N58-Y60 PolarHBondContact O-N 3.4Å; Y60-F62 VanDerWaalsContact C-N 3.31Å; Y60-F62 PolarHBondContact O-N 3.5Å; Y60-R63 PolarHBondContact O-N 2.71Å; Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.37Å; Y60-L64 HydrophobicContact CE1-CD1 3.31Å; Y60-L64 HydrophobicContact CE1-CG 3.91Å; Y60-L64 HydrophobicContact CE2-CD2 4.48Å; Y60-L64 HydrophobicContact CE2-CG 4.3Å; Y60-L64 PolarHBondContact O-N 3.04Å |
| 61 | L | 76.2 | Confident | 70.7 | Confident | 88 Ų | 88 | 108.8 Ų | 108.8 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 177 | -70.5 | 174.8 | 0 | 0 | 0 | 111.8 | L57 N58 L64 R65 | L57-L61 HydrophobicContact CD1-CD1 4.4Å; L57-L61 HydrophobicContact CD1-CG 4.33Å; L57-L61 HydrophobicContact CG-CD1 4.18Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 2.93Å; N58-L61 PolarHBondContact O-N 2.86Å; L61-L64 PolarHBondContact O-N 3.31Å; L61-R65 WeakPolarHBondContact O-CB 3.5Å; L61-R65 PolarHBondContact O-N 3.23Å |
| 62 | F | 77.3 | Confident | 70.2 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 172.8 | -77 | -59.3 | 0 | 0 | 0 | 111.3 | N58 E59 Y60 L64 R65 D66 | N58-F62 HydrophobicContact CB-CD2 4.46Å; N58-F62 HydrophobicContact CB-CE2 4.28Å; N58-F62 WeakPolarHBondContact O-CD2 3Å; N58-F62 WeakPolarHBondContact O-CG 3.41Å; N58-F62 PolarHBondContact O-N 3.37Å; E59-F62 PolarHBondContact O-N 3.39Å; Y60-F62 VanDerWaalsContact C-N 3.31Å; Y60-F62 PolarHBondContact O-N 3.5Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.48Å; F62-R65 WeakPolarHBondContact O-CB 3.44Å; F62-R65 PolarHBondContact O-N 3.37Å; F62-D66 VanDerWaalsContact O-CG 3.28Å; F62-D66 PolarHBondContact O-N 3.16Å |
| 63 | R | 75.2 | Confident | 69 | Low | 144 Ų | 144 | 101.9 Ų | 101.9 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 175.6 | -69.5 | 172 | -167 | -176.5 | 3.3 | 112.9 | E59 Y60 D66 K67 | E59-R63 VanDerWaalsContact O-CG 3.32Å; E59-R63 WeakPolarHBondContact O-CG 3.09Å; E59-R63 PolarHBondContact O-N 3.09Å; E59-R63 IonicContact OE1-CZ 3.37Å; E59-R63 IonicContact OE1-NE 3.03Å; E59-R63 PolarHBondContact OE1-NE 2.77Å; E59-R63 IonicContact OE1-NH2 2.84Å; E59-R63 PolarHBondContact OE1-NH2 2.74Å; Y60-R63 PolarHBondContact O-N 2.71Å; R63-D66 PolarHBondContact O-N 2.68Å; R63-K67 WeakPolarHBondContact O-CB 3.45Å; R63-K67 VanDerWaalsContact O-CG 3.27Å; R63-K67 WeakPolarHBondContact O-CG 3.26Å; R63-K67 PolarHBondContact O-N 3.42Å |
| 64 | L | 70.1 | Confident | 67.8 | Low | 64 Ų | 64 | 97.9 Ų | 97.9 | 34% | 0.335 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.2 | -77.3 | -175.8 | 0 | 0 | 0 | 111.1 | Y60 L61 F62 D66 K67 E68 | Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.37Å; Y60-L64 HydrophobicContact CE1-CD1 3.31Å; Y60-L64 HydrophobicContact CE1-CG 3.91Å; Y60-L64 HydrophobicContact CE2-CD2 4.48Å; Y60-L64 HydrophobicContact CE2-CG 4.3Å; Y60-L64 PolarHBondContact O-N 3.04Å; L61-L64 PolarHBondContact O-N 3.31Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.48Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.49Å; L64-K67 PolarHBondContact O-N 3.31Å; L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 WeakPolarHBondContact O-CG 3.44Å; L64-E68 PolarHBondContact O-N 3.25Å |
| 65 | R | 64.4 | Low | 66.7 | Low | 117 Ų | 117 | 104 Ų | 104 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.9 | -174.3 | -176.3 | -178.7 | -135.7 | -4.7 | 111.5 | L61 F62 E68 I69 | L61-R65 WeakPolarHBondContact O-CB 3.5Å; L61-R65 PolarHBondContact O-N 3.23Å; F62-R65 WeakPolarHBondContact O-CB 3.44Å; F62-R65 PolarHBondContact O-N 3.37Å; R65-E68 PolarHBondContact O-N 3.08Å; R65-I69 HydrophobicContact CG-CD1 3.85Å; R65-I69 HydrophobicContact CG-CG1 4.42Å; R65-I69 WeakPolarHBondContact O-CB 3.17Å; R65-I69 WeakPolarHBondContact O-CG1 3.15Å; R65-I69 PolarHBondContact O-N 3.47Å |
| 66 | D | 66.8 | Low | 65.9 | Low | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 179.1 | -67.3 | -18.6 | 0 | 0 | 0 | 111.1 | F62 R63 L64 I69 V70 | F62-D66 VanDerWaalsContact O-CG 3.28Å; F62-D66 PolarHBondContact O-N 3.16Å; R63-D66 PolarHBondContact O-N 2.68Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.49Å; D66-I69 PolarHBondContact O-N 2.67Å; D66-V70 WeakPolarHBondContact O-CB 3.5Å; D66-V70 WeakPolarHBondContact O-CG2 3.25Å; D66-V70 PolarHBondContact O-N 3.39Å |
| 67 | K | 61.7 | Low | 64.7 | Low | 135 Ų | 135 | 103.3 Ų | 103.3 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 170.8 | -76.8 | -179.5 | -179.1 | -173.9 | 0 | 112.4 | R63 L64 V70 N71 | R63-K67 WeakPolarHBondContact O-CB 3.45Å; R63-K67 VanDerWaalsContact O-CG 3.27Å; R63-K67 WeakPolarHBondContact O-CG 3.26Å; R63-K67 PolarHBondContact O-N 3.42Å; L64-K67 PolarHBondContact O-N 3.31Å; K67-V70 PolarHBondContact O-N 2.81Å; K67-N71 VanDerWaalsContact O-CB 3.29Å; K67-N71 WeakPolarHBondContact O-CB 3.42Å; K67-N71 VanDerWaalsContact O-CG 3.24Å; K67-N71 PolarHBondContact O-N 2.77Å; K67-N71 PolarHBondContact O-ND2 3.39Å |
| 68 | E | 60.4 | Low | 63.7 | Low | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 174.6 | -81.3 | -174.3 | 174.9 | 0 | 0 | 110.8 | L64 R65 V70 N71 S72 | L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 WeakPolarHBondContact O-CG 3.44Å; L64-E68 PolarHBondContact O-N 3.25Å; R65-E68 PolarHBondContact O-N 3.08Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 3.34Å; E68-N71 CarbonylContact O-C 3.45Å; E68-N71 PolarHBondContact O-N 2.83Å; E68-S72 WeakPolarHBondContact O-CA 3.3Å; E68-S72 WeakPolarHBondContact O-CB 3.24Å; E68-S72 PolarHBondContact O-N 3.01Å; E68-S72 PolarHBondContact O-OG 2.75Å |
| 69 | I | 55.7 | Low | 63.1 | Low | 86 Ų | 86 | 107.4 Ų | 107.4 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 174.8 | -70.3 | 164.6 | 0 | 0 | 0 | 110.6 | R65 D66 S72 Q73 | R65-I69 HydrophobicContact CG-CD1 3.85Å; R65-I69 HydrophobicContact CG-CG1 4.42Å; R65-I69 WeakPolarHBondContact O-CB 3.17Å; R65-I69 WeakPolarHBondContact O-CG1 3.15Å; R65-I69 PolarHBondContact O-N 3.47Å; D66-I69 PolarHBondContact O-N 2.67Å; I69-S72 CarbonylContact O-C 3.55Å; I69-S72 VanDerWaalsContact O-C 3.27Å; I69-Q73 PolarHBondContact O-N 2.79Å |
| 70 | V | 55 | Low | 62.3 | Low | 98 Ų | 98 | 107.9 Ų | 107.9 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.3 | -42.7 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | D66 K67 E68 S72 Q73 | D66-V70 WeakPolarHBondContact O-CB 3.5Å; D66-V70 WeakPolarHBondContact O-CG2 3.25Å; D66-V70 PolarHBondContact O-N 3.39Å; K67-V70 PolarHBondContact O-N 2.81Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 3.34Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.61Å; V70-Q73 PolarHBondContact O-N 3.39Å |
| 71 | N | 55 | Low | 61 | Low | 144 Ų | 144 | 107 Ų | 107 | 77% | 0.77 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -74.8 | -21.8 | 178 | -72.2 | -20.6 | 0 | 0 | 0 | 113.3 | K67 E68 | K67-N71 VanDerWaalsContact O-CB 3.29Å; K67-N71 WeakPolarHBondContact O-CB 3.42Å; K67-N71 VanDerWaalsContact O-CG 3.24Å; K67-N71 PolarHBondContact O-N 2.77Å; K67-N71 PolarHBondContact O-ND2 3.39Å; E68-N71 CarbonylContact O-C 3.45Å; E68-N71 PolarHBondContact O-N 2.83Å |
| 72 | S | 55.4 | Low | 60.5 | Low | 73 Ų | 73 | 109.4 Ų | 109.4 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 29.7 | 172.9 | 69.2 | 0 | 0 | 0 | 0 | 110.9 | E68 I69 V70 P74 | E68-S72 WeakPolarHBondContact O-CA 3.3Å; E68-S72 WeakPolarHBondContact O-CB 3.24Å; E68-S72 PolarHBondContact O-N 3.01Å; E68-S72 PolarHBondContact O-OG 2.75Å; I69-S72 CarbonylContact O-C 3.55Å; I69-S72 VanDerWaalsContact O-C 3.27Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.61Å; S72-P74 WeakPolarHBondContact O-CA 3.27Å; S72-P74 WeakPolarHBondContact O-CD 3.16Å |
| 73 | Q | 48.7 | Very low | 59.8 | Low | 117 Ų | 117 | 113.6 Ų | 113.6 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | trans | -42.7 | 114.3 | 157.5 | -97 | -162 | -6.2 | 0 | 0 | 105.6 | I69 V70 K75 | I69-Q73 PolarHBondContact O-N 2.79Å; V70-Q73 PolarHBondContact O-N 3.39Å; Q73-K75 PolarHBondContact O-N 3.26Å | ||
| 74 | P | 51.4 | Low | 59.6 | Low | 37 Ų | 37 | 113 Ų | 113 | 24% | 0.24 | 54% | 0.536 | C | S | . | . | trans | -62.3 | 119.9 | -161.1 | -14.2 | 16.2 | 0 | 0 | 0 | 107.9 | S72 Y76 L77 L78 | S72-P74 WeakPolarHBondContact O-CA 3.27Å; S72-P74 WeakPolarHBondContact O-CD 3.16Å; P74-Y76 HydrophobicContact CB-CD1 3.22Å; P74-Y76 HydrophobicContact CB-CD2 4.19Å; P74-Y76 HydrophobicContact CB-CE1 3.02Å; P74-Y76 HydrophobicContact CB-CE2 4.01Å; P74-Y76 HydrophobicContact CB-CG 3.8Å; P74-Y76 VanDerWaalsContact CB-CZ 3.41Å; P74-Y76 HydrophobicContact CG-CD1 4.35Å; P74-Y76 HydrophobicContact CG-CE1 3.71Å; P74-Y76 HydrophobicContact CG-CE2 4.37Å; P74-Y76 CarbonylContact O-C 3.27Å; P74-Y76 PolarHBondContact O-N 3.31Å; P74-L77 HydrophobicContact CB-CG 4.34Å; P74-L77 HydrophobicContact CG-CD1 3.8Å; P74-L77 HydrophobicContact CG-CG 4.13Å; P74-L77 PolarHBondContact O-N 2.93Å; P74-L78 PolarHBondContact O-N 2.81Å | ||
| 75 | K | 58 | Low | 59.4 | Low | 171 Ų | 171 | 117.8 Ų | 117.8 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -53.5 | -21.4 | 175.2 | -74.2 | -176.8 | 178.7 | 178.2 | 0 | 111 | Q73 K79 | Q73-K75 PolarHBondContact O-N 3.26Å; K75-K79 WeakPolarHBondContact O-CB 3.41Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.43Å; K75-K79 PolarHBondContact O-N 2.99Å |
| 76 | Y | 59.2 | Low | 59.5 | Low | 153 Ų | 153 | 116.4 Ų | 116.4 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.7 | -41.7 | 171.1 | 73.2 | -105.6 | 0 | 0 | 0 | 113.2 | P74 L78 K79 E80 | P74-Y76 HydrophobicContact CB-CD1 3.22Å; P74-Y76 HydrophobicContact CB-CD2 4.19Å; P74-Y76 HydrophobicContact CB-CE1 3.02Å; P74-Y76 HydrophobicContact CB-CE2 4.01Å; P74-Y76 HydrophobicContact CB-CG 3.8Å; P74-Y76 VanDerWaalsContact CB-CZ 3.41Å; P74-Y76 HydrophobicContact CG-CD1 4.35Å; P74-Y76 HydrophobicContact CG-CE1 3.71Å; P74-Y76 HydrophobicContact CG-CE2 4.37Å; P74-Y76 CarbonylContact O-C 3.27Å; P74-Y76 PolarHBondContact O-N 3.31Å; Y76-L78 VanDerWaalsContact C-N 3.35Å; Y76-K79 PolarHBondContact O-N 3.15Å; Y76-E80 PolarHBondContact O-N 2.99Å |
| 77 | L | 54.5 | Low | 59.6 | Low | 84 Ų | 84 | 120.8 Ų | 120.8 | 44% | 0.44 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 175.1 | -75.4 | 177.4 | 0 | 0 | 0 | 111.2 | P74 K79 E80 Q81 | P74-L77 HydrophobicContact CB-CG 4.34Å; P74-L77 HydrophobicContact CG-CD1 3.8Å; P74-L77 HydrophobicContact CG-CG 4.13Å; P74-L77 PolarHBondContact O-N 2.93Å; L77-K79 VanDerWaalsContact C-N 3.35Å; L77-E80 PolarHBondContact O-N 2.93Å; L77-Q81 WeakPolarHBondContact O-CG 3.33Å; L77-Q81 PolarHBondContact O-N 2.86Å |
| 78 | L | 58.4 | Low | 59.7 | Low | 76 Ų | 76 | 121.5 Ų | 121.5 | 40% | 0.398 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.2 | -40.4 | 174.8 | -67.2 | 174.1 | 0 | 0 | 0 | 111.5 | P74 Y76 Q81 E82 | P74-L78 PolarHBondContact O-N 2.81Å; Y76-L78 VanDerWaalsContact C-N 3.35Å; L78-Q81 PolarHBondContact O-N 2.9Å; L78-E82 WeakPolarHBondContact O-CG 3.5Å; L78-E82 PolarHBondContact O-N 3.07Å |
| 79 | K | 61.9 | Low | 59.3 | Low | 127 Ų | 127 | 126.9 Ų | 126.9 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.4 | -32 | 174.6 | -78.5 | -176.7 | 178 | -171.5 | 0 | 113.4 | K75 Y76 L77 R83 | K75-K79 WeakPolarHBondContact O-CB 3.41Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.43Å; K75-K79 PolarHBondContact O-N 2.99Å; Y76-K79 PolarHBondContact O-N 3.15Å; L77-K79 VanDerWaalsContact C-N 3.35Å; K79-R83 PolarHBondContact O-N 2.85Å; K79-R83 VanDerWaalsContact O-N 3.11Å |
| 80 | E | 61.5 | Low | 59.5 | Low | 104 Ų | 104 | 129 Ų | 129 | 49% | 0.486 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.6 | -42.3 | 173.5 | -80.6 | -178 | 160.2 | 0 | 0 | 111.2 | Y76 L77 E82 R83 E84 | Y76-E80 PolarHBondContact O-N 2.99Å; L77-E80 PolarHBondContact O-N 2.93Å; E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 2.68Å; E80-R83 PolarHBondContact O-N 2.96Å; E80-E84 WeakPolarHBondContact O-CG 3.47Å; E80-E84 PolarHBondContact O-N 3.45Å |
| 81 | Q | 55.1 | Low | 59.7 | Low | 113 Ų | 113 | 130.6 Ų | 130.6 | 53% | 0.528 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.3 | -36.4 | 173.5 | -73.7 | -171.7 | -13.3 | 0 | 0 | 113.1 | L77 L78 K85 | L77-Q81 WeakPolarHBondContact O-CG 3.33Å; L77-Q81 PolarHBondContact O-N 2.86Å; L78-Q81 PolarHBondContact O-N 2.9Å; Q81-K85 WeakPolarHBondContact O-CB 3.31Å; Q81-K85 WeakPolarHBondContact O-CG 3.09Å; Q81-K85 PolarHBondContact O-N 3.28Å |
| 82 | E | 65.6 | Low | 60 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -38 | 173.2 | -78.1 | -178.9 | 167.8 | 0 | 0 | 112.2 | L78 E80 S86 | L78-E82 WeakPolarHBondContact O-CG 3.5Å; L78-E82 PolarHBondContact O-N 3.07Å; E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 2.68Å; E82-S86 WeakPolarHBondContact O-CB 3.17Å; E82-S86 PolarHBondContact O-N 3.5Å |
| 83 | R | 62.6 | Low | 60.3 | Low | 182 Ų | 182 | 133.2 Ų | 133.2 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.4 | -44.5 | 173.7 | -82.9 | -170 | -117.8 | -170 | 0.8 | 112.1 | K79 E80 K85 S86 F87 | K79-R83 PolarHBondContact O-N 2.85Å; K79-R83 VanDerWaalsContact O-N 3.11Å; E80-R83 PolarHBondContact O-N 2.96Å; R83-K85 PolarHBondContact O-N 3.36Å; R83-S86 PolarHBondContact O-N 3.13Å; R83-F87 PolarHBondContact O-N 3.47Å |
| 84 | E | 69.8 | Low | 61 | Low | 131 Ų | 131 | 134.2 Ų | 134.2 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64 | -40.8 | 178.4 | -72.6 | -178.3 | 178.4 | 0 | 0 | 111.9 | E80 S86 F87 I88 | E80-E84 WeakPolarHBondContact O-CG 3.47Å; E80-E84 PolarHBondContact O-N 3.45Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 2.74Å; E84-F87 PolarHBondContact O-N 3.17Å; E84-I88 PolarHBondContact O-N 3.17Å |
| 85 | K | 65.7 | Low | 61.6 | Low | 164 Ų | 164 | 140.7 Ų | 140.7 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65 | -32.5 | 174.4 | -76.5 | -179.9 | -178.7 | 176.8 | 0 | 113.2 | Q81 R83 | Q81-K85 WeakPolarHBondContact O-CB 3.31Å; Q81-K85 WeakPolarHBondContact O-CG 3.09Å; Q81-K85 PolarHBondContact O-N 3.28Å; R83-K85 PolarHBondContact O-N 3.36Å |
| 86 | S | 68 | Low | 61.9 | Low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75 | -24.7 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 113.1 | E82 R83 E84 | E82-S86 WeakPolarHBondContact O-CB 3.17Å; E82-S86 PolarHBondContact O-N 3.5Å; R83-S86 PolarHBondContact O-N 3.13Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 2.74Å |
| 87 | F | 67.3 | Low | 62.1 | Low | 181 Ų | 181 | 137.4 Ų | 137.4 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -83.8 | -21.2 | -178.4 | -162.8 | -95.1 | 0 | 0 | 0 | 113.2 | R83 E84 K89 | R83-F87 PolarHBondContact O-N 3.47Å; E84-F87 PolarHBondContact O-N 3.17Å; F87-K89 PolarHBondContact O-N 3.13Å |
| 88 | I | 64.1 | Low | 62.7 | Low | 150 Ų | 150 | 141.8 Ų | 141.8 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 9.5 | 178.2 | -59.2 | 167.7 | 0 | 0 | 0 | 112 | E84 | E84-I88 PolarHBondContact O-N 3.17Š|
| 89 | K | 52.8 | Low | 63.1 | Low | 247 Ų | 247 | 147.8 Ų | 147.8 | 100% | 1.074 | 68% | 0.68 | S | S | * | * | trans | -106.7 | 0 | 164.2 | -86.2 | -170 | 176.9 | -177.2 | 0 | 110.3 | F87 | F87-K89 PolarHBondContact O-N 3.13Š|
Retrieved 89 of 89 residues in 71 ms
(Link to these results)