| 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 | 63.1 | Low | 83.6 | Confident | 202 Ų | 202 | 121.6 Ų | 121.6 | 100% | 0.995 | 62% | 0.619 | S | S | * | * | 0 | -49.9 | 0 | -68.1 | -171.2 | -179.2 | 0 | 0 | 113.2 | T3 V4 I5 | M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 2.9Å; M1-V4 PolarHBondContact O-N 2.78Å; M1-I5 PolarHBondContact O-N 3.18Å | |||
| 2 | R | 73.4 | Confident | 84.1 | Confident | 210 Ų | 210 | 121.1 Ų | 121.1 | 79% | 0.792 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -53.9 | -41.3 | -179.7 | -77.4 | 177.4 | 142.9 | 179.5 | -6.8 | 115.1 | V4 I5 W6 | R2-V4 PolarHBondContact O-N 2.9Å; R2-I5 PolarHBondContact O-N 3.41Å; R2-W6 PolarHBondContact O-N 2.87Å |
| 3 | T | 80.6 | Confident | 84.4 | Confident | 102 Ų | 102 | 116.8 Ų | 116.8 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.3 | -37.7 | -178.5 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | M1 W6 L7 | M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 2.9Å; T3-W6 PolarHBondContact O-N 3.44Å; T3-L7 PolarHBondContact O-N 2.88Å |
| 4 | V | 84.6 | Confident | 84.6 | Confident | 99 Ų | 99 | 116.1 Ų | 116.1 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.3 | -39.2 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | M1 R2 L7 S8 | M1-V4 PolarHBondContact O-N 2.78Å; R2-V4 PolarHBondContact O-N 2.9Å; V4-L7 PolarHBondContact O-N 3.26Å; V4-S8 PolarHBondContact O-N 3.05Å; V4-S8 PolarHBondContact O-OG 2.95Å |
| 5 | I | 84.4 | Confident | 84.8 | Confident | 104 Ų | 104 | 118.3 Ų | 118.3 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.6 | -48.4 | 176.3 | -61.9 | 168.9 | 0 | 0 | 0 | 110 | M1 R2 L7 S8 L9 | M1-I5 PolarHBondContact O-N 3.18Å; R2-I5 PolarHBondContact O-N 3.41Å; I5-L7 PolarHBondContact O-N 2.95Å; I5-S8 PolarHBondContact O-N 2.89Å; I5-S8 PolarHBondContact O-OG 3Å; I5-L9 PolarHBondContact O-N 3.05Å |
| 6 | W | 86.3 | Confident | 84.7 | Confident | 176 Ų | 176 | 118.2 Ų | 118.2 | 67% | 0.667 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.6 | -43.7 | 177.8 | -77.3 | 112.5 | 0 | 0 | 0 | 113 | R2 T3 S8 L9 V10 | R2-W6 PolarHBondContact O-N 2.87Å; T3-W6 PolarHBondContact O-N 3.44Å; W6-S8 PolarHBondContact O-N 2.96Å; W6-L9 PolarHBondContact O-N 2.48Å; W6-V10 WeakPolarHBondContact O-CG2 3.49Å; W6-V10 PolarHBondContact O-N 3.03Å |
| 7 | L | 88.2 | Confident | 84.5 | Confident | 117 Ų | 117 | 116.3 Ų | 116.3 | 61% | 0.613 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60 | -44.3 | 175.7 | -85.2 | 162.1 | 0 | 0 | 0 | 111.9 | T3 V4 I5 L9 V10 V11 | T3-L7 PolarHBondContact O-N 2.88Å; V4-L7 PolarHBondContact O-N 3.26Å; I5-L7 PolarHBondContact O-N 2.95Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 3.28Å; L7-V10 PolarHBondContact O-N 2.99Å; L7-V11 WeakPolarHBondContact O-CG2 3.04Å; L7-V11 PolarHBondContact O-N 3.48Å |
| 8 | S | 88.1 | Confident | 84 | Confident | 72 Ų | 72 | 115.2 Ų | 115.2 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.6 | -38.2 | 177.8 | 72 | 0 | 0 | 0 | 0 | 112.5 | V4 I5 W6 V11 F12 | V4-S8 PolarHBondContact O-N 3.05Å; V4-S8 PolarHBondContact O-OG 2.95Å; I5-S8 PolarHBondContact O-N 2.89Å; I5-S8 PolarHBondContact O-OG 3Å; W6-S8 PolarHBondContact O-N 2.96Å; S8-V11 PolarHBondContact O-N 2.75Å; S8-F12 VanDerWaalsContact O-CB 3.3Å; S8-F12 WeakPolarHBondContact O-CB 3.32Å; S8-F12 PolarHBondContact O-N 3.44Å |
| 9 | L | 89.4 | Confident | 83.5 | Confident | 87 Ų | 87 | 112.1 Ų | 112.1 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -41 | 179.6 | -149.1 | 160.1 | 0 | 0 | 0 | 110.8 | I5 W6 L7 F12 T13 | I5-L9 PolarHBondContact O-N 3.05Å; W6-L9 PolarHBondContact O-N 2.48Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 3.28Å; L9-F12 PolarHBondContact O-N 3.45Å; L9-T13 HydrophobicContact CD2-CG2 3.94Å; L9-T13 WeakPolarHBondContact O-CG2 3.46Å; L9-T13 PolarHBondContact O-N 3.41Å; L9-T13 PolarHBondContact O-OG1 3.38Å |
| 10 | V | 91 | Very high | 82.6 | Confident | 74 Ų | 74 | 111.7 Ų | 111.7 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | W6 L7 F12 T13 L14 | W6-V10 WeakPolarHBondContact O-CG2 3.49Å; W6-V10 PolarHBondContact O-N 3.03Å; L7-V10 PolarHBondContact O-N 2.99Å; V10-F12 VanDerWaalsContact C-N 3.33Å; V10-F12 PolarHBondContact O-N 3.41Å; V10-T13 WeakPolarHBondContact CA-OG1 3.48Å; V10-T13 PolarHBondContact O-N 2.95Å; V10-T13 PolarHBondContact O-OG1 2.99Å; V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.17Å; V10-L14 PolarHBondContact O-N 3.41Å |
| 11 | V | 90.3 | Very high | 81.6 | Confident | 95 Ų | 95 | 113.2 Ų | 113.2 | 58% | 0.576 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.4 | -41.9 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L7 S8 L14 Y15 | L7-V11 WeakPolarHBondContact O-CG2 3.04Å; L7-V11 PolarHBondContact O-N 3.48Å; S8-V11 PolarHBondContact O-N 2.75Å; V11-L14 PolarHBondContact O-N 3.48Å; V11-Y15 WeakPolarHBondContact O-CB 3.29Å; V11-Y15 PolarHBondContact O-N 3.24Å |
| 12 | F | 89.6 | Confident | 81.5 | Confident | 115 Ų | 115 | 107.3 Ų | 107.3 | 50% | 0.504 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.3 | -47.6 | 176.8 | -173.3 | -93.1 | 0 | 0 | 0 | 111.5 | S8 L9 V10 L14 Y15 Y16 | S8-F12 VanDerWaalsContact O-CB 3.3Å; S8-F12 WeakPolarHBondContact O-CB 3.32Å; S8-F12 PolarHBondContact O-N 3.44Å; L9-F12 PolarHBondContact O-N 3.45Å; V10-F12 VanDerWaalsContact C-N 3.33Å; V10-F12 PolarHBondContact O-N 3.41Å; F12-L14 PolarHBondContact O-N 3.02Å; F12-Y15 PolarHBondContact O-N 3.42Å; F12-Y16 AromaticContact CD1-CD2 3.86Å; F12-Y16 HydrophobicContact CD1-CD2 3.86Å; F12-Y16 AromaticContact CD1-CE2 3.99Å; F12-Y16 HydrophobicContact CD1-CE2 3.99Å; F12-Y16 HydrophobicContact CD2-CD2 4.18Å; F12-Y16 AromaticContact CD2-CE2 3.74Å; F12-Y16 HydrophobicContact CD2-CE2 3.74Å; F12-Y16 AromaticContact CE1-CD2 3.66Å; F12-Y16 HydrophobicContact CE1-CD2 3.66Å; F12-Y16 AromaticContact CE1-CE2 3.46Å; F12-Y16 HydrophobicContact CE1-CE2 3.46Å; F12-Y16 VanDerWaalsContact CE1-CE2 3.46Å; F12-Y16 HydrophobicContact CE1-CG 4.41Å; F12-Y16 HydrophobicContact CE2-CD2 4.02Å; F12-Y16 AromaticContact CE2-CE2 3.2Å; F12-Y16 HydrophobicContact CE2-CE2 3.2Å; F12-Y16 AromaticContact CE2-CZ 3.89Å; F12-Y16 HydrophobicContact CG-CD2 4.13Å; F12-Y16 HydrophobicContact CG-CE2 4.12Å; F12-Y16 AromaticContact CZ-CD2 3.76Å; F12-Y16 HydrophobicContact CZ-CD2 3.76Å; F12-Y16 HydrophobicContact CZ-CE1 4.45Å; F12-Y16 AromaticContact CZ-CE2 3.04Å; F12-Y16 HydrophobicContact CZ-CE2 3.04Å; F12-Y16 AromaticContact CZ-CZ 3.43Å; F12-Y16 VanDerWaalsContact CZ-CZ 3.43Å; F12-Y16 WeakPolarHBondContact CZ-OH 3.5Å; F12-Y16 VanDerWaalsContact O-CD2 3.28Å; F12-Y16 WeakPolarHBondContact O-CD2 3.36Å; F12-Y16 PolarHBondContact O-N 3.36Å |
| 13 | T | 88.2 | Confident | 80.8 | Confident | 65 Ų | 65 | 103.3 Ų | 103.3 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 179.1 | 53.7 | 0 | 0 | 0 | 0 | 112 | L9 V10 Y15 Y16 V17 | L9-T13 HydrophobicContact CD2-CG2 3.94Å; L9-T13 WeakPolarHBondContact O-CG2 3.46Å; L9-T13 PolarHBondContact O-N 3.41Å; L9-T13 PolarHBondContact O-OG1 3.38Å; V10-T13 WeakPolarHBondContact CA-OG1 3.48Å; V10-T13 PolarHBondContact O-N 2.95Å; V10-T13 PolarHBondContact O-OG1 2.99Å; T13-Y15 PolarHBondContact O-N 3.23Å; T13-Y16 PolarHBondContact O-N 2.89Å; T13-V17 VanDerWaalsContact O-CG2 3.26Å; T13-V17 WeakPolarHBondContact O-CG2 3.42Å; T13-V17 PolarHBondContact O-N 2.93Å |
| 14 | L | 87.1 | Confident | 79.8 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.5 | -45 | 175.1 | -74 | 168.2 | 0 | 0 | 0 | 112 | V10 V11 F12 Y16 V17 V18 | V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.17Å; V10-L14 PolarHBondContact O-N 3.41Å; V11-L14 PolarHBondContact O-N 3.48Å; F12-L14 PolarHBondContact O-N 3.02Å; L14-Y16 VanDerWaalsContact C-N 3.35Å; L14-Y16 PolarHBondContact O-N 2.99Å; L14-V17 PolarHBondContact O-N 3.1Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 3.33Å; L14-V18 VanDerWaalsContact O-N 3.09Å |
| 15 | Y | 87 | Confident | 78.6 | Confident | 149 Ų | 149 | 111.8 Ų | 111.8 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.5 | -43.4 | 177.9 | 179.9 | -97.6 | 0 | 0 | 0 | 112.2 | V11 F12 T13 N19 | V11-Y15 WeakPolarHBondContact O-CB 3.29Å; V11-Y15 PolarHBondContact O-N 3.24Å; F12-Y15 PolarHBondContact O-N 3.42Å; T13-Y15 PolarHBondContact O-N 3.23Å; Y15-N19 WeakPolarHBondContact CE1-ND2 3.2Å; Y15-N19 WeakPolarHBondContact CE2-ND2 3.49Å; Y15-N19 WeakPolarHBondContact O-CB 3.43Å; Y15-N19 PolarHBondContact O-N 3.29Å; Y15-N19 VanDerWaalsContact O-N 3.09Å; Y15-N19 PolarHBondContact O-ND2 3Å |
| 16 | Y | 84.4 | Confident | 77.6 | Confident | 117 Ų | 117 | 112.2 Ų | 112.2 | 46% | 0.459 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69 | -41.5 | 179 | -87.6 | -99.3 | 0 | 0 | 0 | 112.6 | F12 T13 L14 V18 N19 I20 | F12-Y16 AromaticContact CD1-CD2 3.86Å; F12-Y16 HydrophobicContact CD1-CD2 3.86Å; F12-Y16 AromaticContact CD1-CE2 3.99Å; F12-Y16 HydrophobicContact CD1-CE2 3.99Å; F12-Y16 HydrophobicContact CD2-CD2 4.18Å; F12-Y16 AromaticContact CD2-CE2 3.74Å; F12-Y16 HydrophobicContact CD2-CE2 3.74Å; F12-Y16 AromaticContact CE1-CD2 3.66Å; F12-Y16 HydrophobicContact CE1-CD2 3.66Å; F12-Y16 AromaticContact CE1-CE2 3.46Å; F12-Y16 HydrophobicContact CE1-CE2 3.46Å; F12-Y16 VanDerWaalsContact CE1-CE2 3.46Å; F12-Y16 HydrophobicContact CE1-CG 4.41Å; F12-Y16 HydrophobicContact CE2-CD2 4.02Å; F12-Y16 AromaticContact CE2-CE2 3.2Å; F12-Y16 HydrophobicContact CE2-CE2 3.2Å; F12-Y16 AromaticContact CE2-CZ 3.89Å; F12-Y16 HydrophobicContact CG-CD2 4.13Å; F12-Y16 HydrophobicContact CG-CE2 4.12Å; F12-Y16 AromaticContact CZ-CD2 3.76Å; F12-Y16 HydrophobicContact CZ-CD2 3.76Å; F12-Y16 HydrophobicContact CZ-CE1 4.45Å; F12-Y16 AromaticContact CZ-CE2 3.04Å; F12-Y16 HydrophobicContact CZ-CE2 3.04Å; F12-Y16 AromaticContact CZ-CZ 3.43Å; F12-Y16 VanDerWaalsContact CZ-CZ 3.43Å; F12-Y16 WeakPolarHBondContact CZ-OH 3.5Å; F12-Y16 VanDerWaalsContact O-CD2 3.28Å; F12-Y16 WeakPolarHBondContact O-CD2 3.36Å; F12-Y16 PolarHBondContact O-N 3.36Å; T13-Y16 PolarHBondContact O-N 2.89Å; L14-Y16 VanDerWaalsContact C-N 3.35Å; L14-Y16 PolarHBondContact O-N 2.99Å; Y16-V18 PolarHBondContact O-N 3.44Å; Y16-N19 PolarHBondContact O-N 2.9Å; Y16-I20 WeakPolarHBondContact O-CB 3.17Å; Y16-I20 WeakPolarHBondContact O-CD1 3.36Å; Y16-I20 WeakPolarHBondContact O-CG1 3.48Å; Y16-I20 PolarHBondContact O-N 3.43Å |
| 17 | V | 80 | Confident | 76.5 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.8 | -46.4 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | T13 L14 N19 I20 E21 | T13-V17 VanDerWaalsContact O-CG2 3.26Å; T13-V17 WeakPolarHBondContact O-CG2 3.42Å; T13-V17 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.1Å; V17-N19 VanDerWaalsContact C-N 3.35Å; V17-N19 PolarHBondContact O-N 3.25Å; V17-I20 PolarHBondContact O-N 2.97Å; V17-E21 PolarHBondContact O-N 2.89Å |
| 18 | V | 76.8 | Confident | 75.3 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | L14 Y16 E21 A22 | L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 3.33Å; L14-V18 VanDerWaalsContact O-N 3.09Å; Y16-V18 PolarHBondContact O-N 3.44Å; V18-E21 PolarHBondContact O-N 3.23Å; V18-A22 PolarHBondContact O-N 3.29Å; V18-A22 VanDerWaalsContact O-N 3.08Å |
| 19 | N | 73.7 | Confident | 74.3 | Confident | 56 Ų | 56 | 112 Ų | 112 | 30% | 0.299 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.7 | -32.8 | 177.6 | -86.9 | -81.1 | 0 | 0 | 0 | 113.3 | Y15 Y16 V17 A22 N23 | Y15-N19 WeakPolarHBondContact CE1-ND2 3.2Å; Y15-N19 WeakPolarHBondContact CE2-ND2 3.49Å; Y15-N19 WeakPolarHBondContact O-CB 3.43Å; Y15-N19 PolarHBondContact O-N 3.29Å; Y15-N19 VanDerWaalsContact O-N 3.09Å; Y15-N19 PolarHBondContact O-ND2 3Å; Y16-N19 PolarHBondContact O-N 2.9Å; V17-N19 VanDerWaalsContact C-N 3.35Å; V17-N19 PolarHBondContact O-N 3.25Å; N19-A22 PolarHBondContact O-N 3.07Å; N19-N23 WeakPolarHBondContact O-CB 3.32Å; N19-N23 PolarHBondContact O-N 2.69Å; N19-N23 PolarHBondContact O-ND2 3.12Å |
| 20 | I | 66.4 | Low | 73.3 | Confident | 104 Ų | 104 | 108.8 Ų | 108.8 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 176.7 | -72.6 | 165.1 | 0 | 0 | 0 | 110.5 | Y16 V17 N23 R24 | Y16-I20 WeakPolarHBondContact O-CB 3.17Å; Y16-I20 WeakPolarHBondContact O-CD1 3.36Å; Y16-I20 WeakPolarHBondContact O-CG1 3.48Å; Y16-I20 PolarHBondContact O-N 3.43Å; V17-I20 PolarHBondContact O-N 2.97Å; I20-N23 PolarHBondContact O-N 3.41Å; I20-R24 PolarHBondContact O-N 3.15Å |
| 21 | E | 61.1 | Low | 72.2 | Confident | 143 Ų | 143 | 106.6 Ų | 106.6 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.9 | -39.8 | 175.7 | -68.6 | -164.7 | 163.7 | 0 | 0 | 112.1 | V17 V18 N23 R24 | V17-E21 PolarHBondContact O-N 2.89Å; V18-E21 PolarHBondContact O-N 3.23Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 2.96Å; E21-R24 PolarHBondContact O-N 2.87Å |
| 22 | A | 60.6 | Low | 71.2 | Confident | 79 Ų | 79 | 108.3 Ų | 108.3 | 65% | 0.653 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.2 | -33.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V18 N19 R24 | V18-A22 PolarHBondContact O-N 3.29Å; V18-A22 VanDerWaalsContact O-N 3.08Å; N19-A22 PolarHBondContact O-N 3.07Å; A22-R24 VanDerWaalsContact C-N 3.34Å; A22-R24 PolarHBondContact O-N 3.27Å |
| 23 | N | 58.1 | Low | 70.3 | Confident | 125 Ų | 125 | 104.7 Ų | 104.7 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10 | 179.4 | -86 | -56.1 | 0 | 0 | 0 | 114.7 | N19 I20 E21 K25 | N19-N23 WeakPolarHBondContact O-CB 3.32Å; N19-N23 PolarHBondContact O-N 2.69Å; N19-N23 PolarHBondContact O-ND2 3.12Å; I20-N23 PolarHBondContact O-N 3.41Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 2.96Å; N23-K25 PolarHBondContact O-N 3.5Å |
| 24 | R | 59.5 | Low | 69.2 | Low | 198 Ų | 198 | 106 Ų | 106 | 75% | 0.747 | 52% | 0.521 | S | S | * | . | trans | -69 | 75.1 | 163.6 | -77.7 | -171.8 | 178.3 | -172.4 | 2 | 109.5 | I20 E21 A22 V26 | I20-R24 PolarHBondContact O-N 3.15Å; E21-R24 PolarHBondContact O-N 2.87Å; A22-R24 VanDerWaalsContact C-N 3.34Å; A22-R24 PolarHBondContact O-N 3.27Å; R24-V26 PolarHBondContact O-N 3.16Å | ||
| 25 | K | 60 | Low | 68.1 | Low | 182 Ų | 182 | 106.3 Ų | 106.3 | 79% | 0.791 | 54% | 0.539 | S | S | * | . | trans | -58.9 | 103.9 | 166.5 | -172.9 | 175.5 | -176.4 | 179.7 | 0 | 106.4 | N23 I27 | N23-K25 PolarHBondContact O-N 3.5Å; K25-I27 VanDerWaalsContact C-N 3.32Å; K25-I27 PolarHBondContact O-N 3.12Å | ||
| 26 | V | 63.1 | Low | 67.3 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 69% | 0.685 | 55% | 0.548 | S | S | * | . | trans | -64.1 | 99.7 | 171.2 | 179.1 | 0 | 0 | 0 | 0 | 105.9 | R24 Y28 | R24-V26 PolarHBondContact O-N 3.16Å; V26-Y28 PolarHBondContact O-N 3.03Å | ||
| 27 | I | 64.4 | Low | 66.2 | Low | 103 Ų | 103 | 101.3 Ų | 101.3 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | trans | -70.2 | 107.4 | 175.1 | -60.1 | 174.2 | 0 | 0 | 0 | 105.8 | K25 R29 | K25-I27 VanDerWaalsContact C-N 3.32Å; K25-I27 PolarHBondContact O-N 3.12Å; I27-R29 HydrophobicContact CG2-CG 3.98Å; I27-R29 PolarHBondContact O-N 2.88Å | ||
| 28 | Y | 62 | Low | 65.5 | Low | 55 Ų | 55 | 106.9 Ų | 106.9 | 22% | 0.216 | 56% | 0.559 | C | S | . | * | trans | -60.7 | 120.5 | 171.6 | -171.3 | -106.4 | 0 | 0 | 0 | 109.4 | V26 G30 A31 Y34 T69 E76 | V26-Y28 PolarHBondContact O-N 3.03Å; Y28-G30 VanDerWaalsContact CZ-CA 3.46Å; Y28-G30 WeakPolarHBondContact OH-CA 3.47Å; Y28-A31 PolarHBondContact OH-N 3.11Å; Y28-Y34 AromaticContact CE2-CE2 3.75Å; Y28-Y34 HydrophobicContact CE2-CE2 3.75Å; Y28-T69 HydrophobicContact CD2-CG2 4.49Å; Y28-E76 WeakPolarHBondContact CE1-OE1 3.47Å; Y28-E76 PolarHBondContact OH-OE1 3.47Å; Y28-E76 PolarHBondContact OH-OE2 2.98Å | ||
| 29 | R | 67.2 | Low | 64.8 | Low | 201 Ų | 201 | 103.6 Ų | 103.6 | 76% | 0.758 | 55% | 0.545 | S | S | * | . | trans | -123 | 25.8 | 176.9 | -63.9 | -172.6 | 179.6 | -166.9 | -0.3 | 111.7 | I27 S33 | I27-R29 HydrophobicContact CG2-CG 3.98Å; I27-R29 PolarHBondContact O-N 2.88Å; R29-S33 PolarHBondContact N-OG 3.44Å | ||
| 30 | G | 69.5 | Low | 64.3 | Low | 20 Ų | 20 | 105.5 Ų | 105.5 | 21% | 0.206 | 56% | 0.555 | C | S | . | * | S | Bend | trans | 94.5 | -178.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y28 Q32 S33 | Y28-G30 VanDerWaalsContact CZ-CA 3.46Å; Y28-G30 WeakPolarHBondContact OH-CA 3.47Å; G30-Q32 PolarHBondContact O-N 3.05Å; G30-S33 WeakPolarHBondContact O-CB 3.46Å; G30-S33 PolarHBondContact O-N 2.72Å; G30-S33 PolarHBondContact O-OG 3.28Å |
| 31 | A | 67.7 | Low | 64.1 | Low | 28 Ų | 28 | 108.2 Ų | 108.2 | 23% | 0.231 | 57% | 0.566 | C | S | . | * | G | 310 helix | trans | -52.1 | -28.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y28 S33 Y34 Y37 | Y28-A31 PolarHBondContact OH-N 3.11Å; A31-S33 PolarHBondContact O-N 2.94Å; A31-Y34 PolarHBondContact O-N 3.15Å; A31-Y37 HydrophobicContact CB-CD2 4.31Å; A31-Y37 HydrophobicContact CB-CE2 3.79Å; A31-Y37 WeakPolarHBondContact O-CD2 3.37Å; A31-Y37 VanDerWaalsContact O-CG 3.31Å |
| 32 | Q | 69.8 | Low | 64 | Low | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -66.1 | -18.1 | 177.7 | -61 | 177.7 | -2.8 | 0 | 0 | 114.2 | G30 Y34 Y37 | G30-Q32 PolarHBondContact O-N 3.05Å; Q32-Y34 VanDerWaalsContact C-N 3.27Å; Q32-Y34 PolarHBondContact O-N 3Å; Q32-Y37 HydrophobicContact CB-CD1 4.48Å; Q32-Y37 HydrophobicContact CG-CD1 4.28Å; Q32-Y37 HydrophobicContact CG-CE1 4.03Å |
| 33 | S | 70.3 | Confident | 63.7 | Low | 39 Ų | 39 | 106.8 Ų | 106.8 | 27% | 0.273 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -78.2 | -7.6 | -179.2 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | R29 G30 A31 | R29-S33 PolarHBondContact N-OG 3.44Å; G30-S33 WeakPolarHBondContact O-CB 3.46Å; G30-S33 PolarHBondContact O-N 2.72Å; G30-S33 PolarHBondContact O-OG 3.28Å; A31-S33 PolarHBondContact O-N 2.94Å |
| 34 | Y | 65.4 | Low | 63.5 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 37% | 0.365 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -80.6 | 127.3 | 176.7 | -74.8 | -78.1 | 0 | 0 | 0 | 112.1 | Y28 A31 Q32 G36 Y37 | Y28-Y34 AromaticContact CE2-CE2 3.75Å; Y28-Y34 HydrophobicContact CE2-CE2 3.75Å; A31-Y34 PolarHBondContact O-N 3.15Å; Q32-Y34 VanDerWaalsContact C-N 3.27Å; Q32-Y34 PolarHBondContact O-N 3Å; Y34-G36 PolarHBondContact O-N 3.03Å; Y34-G36 VanDerWaalsContact O-N 3.15Å; Y34-Y37 WeakPolarHBondContact O-CB 3.37Å; Y34-Y37 PolarHBondContact O-N 3.23Å |
| 35 | A | 63.1 | Low | 63.4 | Low | 113 Ų | 113 | 107.5 Ų | 107.5 | 93% | 0.934 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 117.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 36 | G | 69.5 | Low | 63.2 | Low | 74 Ų | 74 | 108 Ų | 108 | 76% | 0.763 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | -1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y34 K38 | Y34-G36 PolarHBondContact O-N 3.03Å; Y34-G36 VanDerWaalsContact O-N 3.15Å; G36-K38 PolarHBondContact O-N 3.16Å |
| 37 | Y | 62.3 | Low | 63 | Low | 87 Ų | 87 | 107.5 Ų | 107.5 | 34% | 0.341 | 55% | 0.545 | S | S | . | . | trans | -66.2 | 103 | 174.3 | -174.8 | -101 | 0 | 0 | 0 | 111.1 | A31 Q32 Y34 G39 | A31-Y37 HydrophobicContact CB-CD2 4.31Å; A31-Y37 HydrophobicContact CB-CE2 3.79Å; A31-Y37 WeakPolarHBondContact O-CD2 3.37Å; A31-Y37 VanDerWaalsContact O-CG 3.31Å; Q32-Y37 HydrophobicContact CB-CD1 4.48Å; Q32-Y37 HydrophobicContact CG-CD1 4.28Å; Q32-Y37 HydrophobicContact CG-CE1 4.03Å; Y34-Y37 WeakPolarHBondContact O-CB 3.37Å; Y34-Y37 PolarHBondContact O-N 3.23Å; Y37-G39 PolarHBondContact O-N 3.4Å | ||
| 38 | K | 64.5 | Low | 62.6 | Low | 204 Ų | 204 | 108.4 Ų | 108.4 | 89% | 0.887 | 56% | 0.558 | S | S | * | * | trans | -91 | 84.9 | 164.7 | -66.8 | -174.6 | -178.5 | -177.9 | 0 | 107.5 | G36 D40 | G36-K38 PolarHBondContact O-N 3.16Å; K38-D40 PolarHBondContact O-N 3.5Å | ||
| 39 | G | 63.5 | Low | 62.3 | Low | 28 Ų | 28 | 110.5 Ų | 110.5 | 29% | 0.289 | 58% | 0.576 | S | S | . | * | trans | -63.1 | 123.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y37 Q41 | Y37-G39 PolarHBondContact O-N 3.4Å; G39-Q41 PolarHBondContact O-N 3.38Å | ||
| 40 | D | 63.2 | Low | 61.7 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | trans | -64.8 | 121.9 | 162.7 | -169.9 | -25.2 | 0 | 0 | 0 | 107.2 | K38 N42 I43 | K38-D40 PolarHBondContact O-N 3.5Å; D40-N42 PolarHBondContact O-N 3.49Å; D40-N42 VanDerWaalsContact OD1-CB 3.32Å; D40-N42 WeakPolarHBondContact OD1-CB 3.22Å; D40-N42 PolarHBondContact OD1-N 3.3Å; D40-I43 HydrophobicContact CB-CD1 4Å; D40-I43 HydrophobicContact CB-CG1 4.09Å; D40-I43 PolarHBondContact O-N 2.97Å | ||
| 41 | Q | 62.5 | Low | 61 | Low | 161 Ų | 161 | 115.2 Ų | 115.2 | 75% | 0.752 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -21.4 | -179.4 | -67.2 | -178 | -5.3 | 0 | 0 | 111.8 | G39 I43 | G39-Q41 PolarHBondContact O-N 3.38Å; Q41-I43 VanDerWaalsContact C-N 3.35Å |
| 42 | N | 57.4 | Low | 60.5 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -29.7 | 177.4 | -146.7 | -16.6 | 0 | 0 | 0 | 113 | D40 Q44 R45 | D40-N42 PolarHBondContact O-N 3.49Å; D40-N42 VanDerWaalsContact OD1-CB 3.32Å; D40-N42 WeakPolarHBondContact OD1-CB 3.22Å; D40-N42 PolarHBondContact OD1-N 3.3Å; N42-Q44 VanDerWaalsContact C-N 3.32Å; N42-Q44 PolarHBondContact O-N 3.46Å; N42-R45 PolarHBondContact O-N 3.48Å |
| 43 | I | 55.1 | Low | 60.1 | Low | 74 Ų | 74 | 120.5 Ų | 120.5 | 38% | 0.379 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -73.1 | -26.7 | -178.3 | -61.3 | 175.4 | 0 | 0 | 0 | 111.5 | D40 Q41 R45 R46 L80 | D40-I43 HydrophobicContact CB-CD1 4Å; D40-I43 HydrophobicContact CB-CG1 4.09Å; D40-I43 PolarHBondContact O-N 2.97Å; Q41-I43 VanDerWaalsContact C-N 3.35Å; I43-R45 PolarHBondContact O-N 3.08Å; I43-R46 PolarHBondContact O-N 3.27Å; I43-L80 HydrophobicContact CG2-CD2 3.72Å |
| 44 | Q | 54.3 | Low | 59.8 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 56% | 0.561 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -66.9 | -16.1 | 178.4 | -65.9 | 178 | 11.2 | 0 | 0 | 113.8 | N42 | N42-Q44 VanDerWaalsContact C-N 3.32Å; N42-Q44 PolarHBondContact O-N 3.46Å |
| 45 | R | 56.7 | Low | 59.7 | Low | 219 Ų | 219 | 120.3 Ų | 120.3 | 83% | 0.826 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -91.9 | -10.2 | 179.1 | -66.9 | -173.9 | -174.3 | -172.3 | 2.3 | 114 | N42 I43 | N42-R45 PolarHBondContact O-N 3.48Å; I43-R45 PolarHBondContact O-N 3.08Å |
| 46 | R | 56.7 | Low | 59.9 | Low | 193 Ų | 193 | 117.9 Ų | 117.9 | 73% | 0.728 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -81 | 125.5 | 174.1 | -101.6 | 177.8 | -179.2 | 169.2 | 0.5 | 108.8 | I43 | I43-R46 PolarHBondContact O-N 3.27Š|
| 47 | P | 57.3 | Low | 59.8 | Low | 102 Ų | 102 | 121.4 Ų | 121.4 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | trans | -56.6 | 137.8 | 170.6 | 24.2 | -31.4 | 0 | 0 | 0 | 107.9 | T49 | P47-T49 PolarHBondContact O-N 2.9Š| ||
| 48 | P | 57.1 | Low | 59.9 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | trans | -59.1 | 108.4 | 176.2 | 24.7 | -31.8 | 0 | 0 | 0 | 107 | S50 | P48-S50 PolarHBondContact O-N 3.09Š| ||
| 49 | T | 55.2 | Low | 59.9 | Low | 99 Ų | 99 | 114.9 Ų | 114.9 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | trans | -61.1 | 105.2 | 169.3 | 15.7 | 0 | 0 | 0 | 0 | 105.6 | P47 R51 G79 | P47-T49 PolarHBondContact O-N 2.9Å; T49-R51 PolarHBondContact O-N 3.28Å; T49-G79 PolarHBondContact OG1-O 3.27Å | ||
| 50 | S | 54.7 | Low | 60 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -66 | 16.6 | 179.4 | 70.8 | 0 | 0 | 0 | 0 | 113.5 | P48 R52 | P48-S50 PolarHBondContact O-N 3.09Å; S50-R52 VanDerWaalsContact C-N 3.26Å; S50-R52 PolarHBondContact O-N 3.44Å | ||
| 51 | R | 54.8 | Low | 60 | Low | 201 Ų | 201 | 117.3 Ų | 117.3 | 76% | 0.758 | 59% | 0.589 | S | S | * | * | trans | -72.9 | 90.9 | 171.3 | -165 | 176.1 | -128.6 | 171.7 | 1.7 | 106.2 | T49 V53 | T49-R51 PolarHBondContact O-N 3.28Å; R51-V53 VanDerWaalsContact C-N 3.32Å; R51-V53 WeakPolarHBondContact O-CG2 3.44Å; R51-V53 PolarHBondContact O-N 3.4Å | ||
| 52 | R | 55.9 | Low | 60.3 | Low | 220 Ų | 220 | 112.5 Ų | 112.5 | 83% | 0.83 | 58% | 0.583 | S | S | * | * | trans | -53.6 | 104.3 | 161.1 | -71 | -175.5 | 180 | -180 | -1.3 | 106.4 | S50 | S50-R52 VanDerWaalsContact C-N 3.26Å; S50-R52 PolarHBondContact O-N 3.44Å | ||
| 53 | V | 61.7 | Low | 60.9 | Low | 51 Ų | 51 | 112.3 Ų | 112.3 | 31% | 0.309 | 60% | 0.597 | S | S | . | * | trans | -77.9 | 126.4 | 175.7 | 179.1 | 0 | 0 | 0 | 0 | 106.3 | R51 I55 A78 | R51-V53 VanDerWaalsContact C-N 3.32Å; R51-V53 WeakPolarHBondContact O-CG2 3.44Å; R51-V53 PolarHBondContact O-N 3.4Å; V53-I55 PolarHBondContact O-N 3.44Å; V53-A78 HydrophobicContact CB-CB 3.71Å; V53-A78 HydrophobicContact CG1-CB 3.88Å; V53-A78 HydrophobicContact CG2-CB 4.2Å | ||
| 54 | D | 65 | Low | 61.4 | Low | 120 Ų | 120 | 116.3 Ų | 116.3 | 64% | 0.642 | 61% | 0.607 | S | S | * | * | trans | -67.7 | 108 | 177 | -177.2 | 16.2 | 0 | 0 | 0 | 109.6 | S56 | D54-S56 VanDerWaalsContact C-N 3.32Å; D54-S56 WeakPolarHBondContact OD1-CB 3.5Å; D54-S56 PolarHBondContact OD1-N 2.97Å; D54-S56 PolarHBondContact OD1-OG 3.48Å; D54-S56 PolarHBondContact OD2-OG 3.35Å | ||
| 55 | I | 63.9 | Low | 62 | Low | 7 Ų | 7 | 118.1 Ų | 118.1 | 4% | 0.036 | 61% | 0.609 | C | S | . | * | trans | -93.2 | 13 | 175.5 | 63.3 | 164 | 0 | 0 | 0 | 112.4 | V53 N57 V58 R71 L74 E75 A78 | V53-I55 PolarHBondContact O-N 3.44Å; I55-N57 PolarHBondContact O-N 3.03Å; I55-N57 VanDerWaalsContact O-N 3.1Å; I55-V58 HydrophobicContact CB-CB 4.27Å; I55-V58 HydrophobicContact CB-CG2 3.75Å; I55-V58 HydrophobicContact CG2-CG2 4.09Å; I55-V58 WeakPolarHBondContact O-CB 3.35Å; I55-V58 PolarHBondContact O-N 2.84Å; I55-R71 HydrophobicContact CD1-CB 4.31Å; I55-R71 WeakPolarHBondContact CD1-O 3.26Å; I55-L74 HydrophobicContact CD1-CB 3.53Å; I55-L74 HydrophobicContact CD1-CD1 4.42Å; I55-E75 HydrophobicContact CD1-CG 3.57Å; I55-E75 HydrophobicContact CG1-CG 3.61Å; I55-E75 HydrophobicContact CG2-CG 4.26Å; I55-A78 HydrophobicContact CG2-CB 4Å | ||
| 56 | S | 67.1 | Low | 62.6 | Low | 63 Ų | 63 | 114.7 Ų | 114.7 | 44% | 0.441 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.5 | -32.2 | 179.5 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | D54 | D54-S56 VanDerWaalsContact C-N 3.32Å; D54-S56 WeakPolarHBondContact OD1-CB 3.5Å; D54-S56 PolarHBondContact OD1-N 2.97Å; D54-S56 PolarHBondContact OD1-OG 3.48Å; D54-S56 PolarHBondContact OD2-OG 3.35Å |
| 57 | N | 66.1 | Low | 63.3 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 79% | 0.791 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -0.8 | 179.6 | -68.2 | -33.7 | 0 | 0 | 0 | 114.3 | I55 P59 | I55-N57 PolarHBondContact O-N 3.03Å; I55-N57 VanDerWaalsContact O-N 3.1Å; N57-P59 WeakPolarHBondContact O-CD 3.5Å |
| 58 | V | 65.6 | Low | 64 | Low | 62 Ų | 62 | 108.1 Ų | 108.1 | 38% | 0.376 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -76.3 | 119.6 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | I55 L60 | I55-V58 HydrophobicContact CB-CB 4.27Å; I55-V58 HydrophobicContact CB-CG2 3.75Å; I55-V58 HydrophobicContact CG2-CG2 4.09Å; I55-V58 WeakPolarHBondContact O-CB 3.35Å; I55-V58 PolarHBondContact O-N 2.84Å; V58-L60 PolarHBondContact O-N 3.43Å |
| 59 | P | 64.9 | Low | 64.6 | Low | 92 Ų | 92 | 105.1 Ų | 105.1 | 60% | 0.597 | 57% | 0.566 | S | S | * | * | trans | -66 | 102.2 | 177.6 | 26.9 | -32.6 | 0 | 0 | 0 | 109.2 | N57 H61 | N57-P59 WeakPolarHBondContact O-CD 3.5Å; P59-H61 PolarHBondContact O-CD2 3.09Å; P59-H61 PolarHBondContact O-N 3.17Å | ||
| 60 | L | 65.5 | Low | 65.4 | Low | 24 Ų | 24 | 103.7 Ų | 103.7 | 13% | 0.126 | 55% | 0.55 | C | S | . | . | trans | -74.8 | 105.8 | 176.1 | -70.3 | 159.5 | 0 | 0 | 0 | 108.7 | V58 R65 Y70 R71 L74 | V58-L60 PolarHBondContact O-N 3.43Å; L60-R65 HydrophobicContact CB-CB 3.95Å; L60-R65 HydrophobicContact CB-CG 3.69Å; L60-R65 HydrophobicContact CD1-CG 4.17Å; L60-Y70 HydrophobicContact CD2-CD1 3.75Å; L60-Y70 HydrophobicContact CD2-CE1 3.52Å; L60-R71 HydrophobicContact CD1-CG 4.3Å; L60-L74 HydrophobicContact CD2-CD1 3.38Å | ||
| 61 | H | 62.6 | Low | 66.2 | Low | 150 Ų | 150 | 102.9 Ų | 102.9 | 69% | 0.694 | 53% | 0.528 | S | S | * | . | trans | -91.7 | 137.1 | -179.7 | -70.4 | -78.5 | 0 | 0 | 0 | 112.4 | P59 | P59-H61 PolarHBondContact O-CD2 3.09Å; P59-H61 PolarHBondContact O-N 3.17Å | ||
| 62 | G | 69.4 | Low | 67.1 | Low | 61 Ų | 61 | 97.5 Ų | 97.5 | 63% | 0.629 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 87.6 | -169.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R64 R65 | G62-R64 PolarHBondContact O-N 3.46Å; G62-R65 PolarHBondContact O-N 2.94Å |
| 63 | A | 69.1 | Low | 67.9 | Low | 112 Ų | 112 | 87.7 Ų | 87.7 | 93% | 0.926 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 64 | R | 65.9 | Low | 68.5 | Low | 158 Ų | 158 | 86.8 Ų | 86.8 | 60% | 0.596 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1.7 | -177.9 | -61.9 | -171 | -178.6 | -169.8 | -0 | 114.3 | G62 N66 D67 Y70 | G62-R64 PolarHBondContact O-N 3.46Å; R64-N66 PolarHBondContact O-N 3.44Å; R64-N66 VanDerWaalsContact O-N 3.11Å; R64-D67 WeakPolarHBondContact O-CB 3.48Å; R64-D67 PolarHBondContact O-N 2.91Å; R64-Y70 HydrophobicContact CB-CD1 3.87Å; R64-Y70 HydrophobicContact CB-CD2 4.39Å; R64-Y70 HydrophobicContact CB-CE1 4.29Å; R64-Y70 HydrophobicContact CB-CG 3.93Å; R64-Y70 WeakPolarHBondContact O-CD1 3.35Å |
| 65 | R | 66.5 | Low | 68.8 | Low | 159 Ų | 159 | 84.1 Ų | 84.1 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.7 | -179.8 | 176.3 | 170 | -175.4 | -162.3 | 2.6 | 114 | L60 G62 | L60-R65 HydrophobicContact CB-CB 3.95Å; L60-R65 HydrophobicContact CB-CG 3.69Å; L60-R65 HydrophobicContact CD1-CG 4.17Å; G62-R65 PolarHBondContact O-N 2.94Å |
| 66 | N | 68.7 | Low | 69.2 | Low | 147 Ų | 147 | 87.2 Ų | 87.2 | 79% | 0.786 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 3 | -178.8 | -61.8 | -20.2 | 0 | 0 | 0 | 113.4 | R64 P68 | R64-N66 PolarHBondContact O-N 3.44Å; R64-N66 VanDerWaalsContact O-N 3.11Å; N66-P68 VanDerWaalsContact O-CD 3.32Å; N66-P68 WeakPolarHBondContact O-CD 3.28Å |
| 67 | D | 71.5 | Confident | 69.4 | Low | 59 Ų | 59 | 88.6 Ų | 88.6 | 32% | 0.316 | 47% | 0.472 | S | S | . | . | trans | -79.9 | 114.2 | 179.3 | -176.1 | -14.5 | 0 | 0 | 0 | 109.6 | R64 T69 Y70 R71 | R64-D67 WeakPolarHBondContact O-CB 3.48Å; R64-D67 PolarHBondContact O-N 2.91Å; D67-T69 PolarHBondContact O-N 3.44Å; D67-T69 WeakPolarHBondContact OD1-CA 3.42Å; D67-T69 WeakPolarHBondContact OD1-CB 3.37Å; D67-T69 PolarHBondContact OD1-N 3.5Å; D67-T69 PolarHBondContact OD1-OG1 2.97Å; D67-Y70 WeakPolarHBondContact O-CB 3.36Å; D67-Y70 PolarHBondContact O-N 3.47Å; D67-Y70 VanDerWaalsContact O-N 3.12Å; D67-R71 PolarHBondContact O-N 3.49Å; D67-R71 VanDerWaalsContact O-N 3.16Å | ||
| 68 | P | 72.6 | Confident | 69.5 | Low | 97 Ų | 97 | 82.9 Ų | 82.9 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.8 | -30.1 | 179.7 | 25.5 | -33.5 | 0 | 0 | 0 | 112.2 | N66 R71 Q72 | N66-P68 VanDerWaalsContact O-CD 3.32Å; N66-P68 WeakPolarHBondContact O-CD 3.28Å; P68-R71 PolarHBondContact O-N 3.27Å; P68-Q72 WeakPolarHBondContact O-CB 3.3Å; P68-Q72 PolarHBondContact O-N 3.02Å |
| 69 | T | 71.1 | Confident | 69.5 | Low | 58 Ų | 58 | 80.4 Ų | 80.4 | 36% | 0.356 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 177.1 | -36.3 | 0 | 0 | 0 | 0 | 111 | Y28 D67 Q72 G73 | Y28-T69 HydrophobicContact CD2-CG2 4.49Å; D67-T69 PolarHBondContact O-N 3.44Å; D67-T69 WeakPolarHBondContact OD1-CA 3.42Å; D67-T69 WeakPolarHBondContact OD1-CB 3.37Å; D67-T69 PolarHBondContact OD1-N 3.5Å; D67-T69 PolarHBondContact OD1-OG1 2.97Å; T69-Q72 PolarHBondContact O-N 3.39Å; T69-G73 PolarHBondContact O-N 3.19Å |
| 70 | Y | 71.5 | Confident | 69.5 | Low | 70 Ų | 70 | 79.7 Ų | 79.7 | 28% | 0.275 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 177.4 | -176.5 | -114.9 | 0 | 0 | 0 | 111.6 | L60 R64 D67 G73 L74 | L60-Y70 HydrophobicContact CD2-CD1 3.75Å; L60-Y70 HydrophobicContact CD2-CE1 3.52Å; R64-Y70 HydrophobicContact CB-CD1 3.87Å; R64-Y70 HydrophobicContact CB-CD2 4.39Å; R64-Y70 HydrophobicContact CB-CE1 4.29Å; R64-Y70 HydrophobicContact CB-CG 3.93Å; R64-Y70 WeakPolarHBondContact O-CD1 3.35Å; D67-Y70 WeakPolarHBondContact O-CB 3.36Å; D67-Y70 PolarHBondContact O-N 3.47Å; D67-Y70 VanDerWaalsContact O-N 3.12Å; Y70-G73 PolarHBondContact O-N 3.26Å; Y70-L74 HydrophobicContact CD1-CD1 4.19Å; Y70-L74 HydrophobicContact CE1-CD1 3.76Å; Y70-L74 PolarHBondContact O-N 3.41Å; Y70-L74 VanDerWaalsContact O-N 3.12Å |
| 71 | R | 70.5 | Confident | 68.9 | Low | 102 Ų | 102 | 88.7 Ų | 88.7 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.1 | -66.2 | -171.9 | 71.9 | 144.8 | 3 | 111.7 | I55 L60 D67 P68 G73 L74 E75 | I55-R71 HydrophobicContact CD1-CB 4.31Å; I55-R71 WeakPolarHBondContact CD1-O 3.26Å; L60-R71 HydrophobicContact CD1-CG 4.3Å; D67-R71 PolarHBondContact O-N 3.49Å; D67-R71 VanDerWaalsContact O-N 3.16Å; P68-R71 PolarHBondContact O-N 3.27Å; R71-G73 VanDerWaalsContact C-N 3.33Å; R71-G73 PolarHBondContact O-N 3.04Å; R71-L74 PolarHBondContact O-N 2.72Å; R71-L74 VanDerWaalsContact O-N 3.15Å; R71-E75 PolarHBondContact O-N 3.47Å |
| 72 | Q | 73.4 | Confident | 69.3 | Low | 88 Ų | 88 | 85.6 Ų | 85.6 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.2 | -172.7 | 179.9 | -22.4 | 0 | 0 | 111.9 | P68 T69 L74 E75 E76 | P68-Q72 WeakPolarHBondContact O-CB 3.3Å; P68-Q72 PolarHBondContact O-N 3.02Å; T69-Q72 PolarHBondContact O-N 3.39Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 2.95Å; Q72-E75 PolarHBondContact O-N 3.46Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.36Å; Q72-E76 PolarHBondContact NE2-OE1 3.41Å; Q72-E76 WeakPolarHBondContact O-CG 3.43Å; Q72-E76 PolarHBondContact O-N 2.96Å |
| 73 | G | 74.4 | Confident | 69.2 | Low | 13 Ų | 13 | 86.9 Ų | 86.9 | 13% | 0.134 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T69 Y70 R71 L77 | T69-G73 PolarHBondContact O-N 3.19Å; Y70-G73 PolarHBondContact O-N 3.26Å; R71-G73 VanDerWaalsContact C-N 3.33Å; R71-G73 PolarHBondContact O-N 3.04Å; G73-L77 WeakPolarHBondContact O-CB 3.34Å; G73-L77 PolarHBondContact O-N 3.35Å |
| 74 | L | 74.1 | Confident | 69.3 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 17% | 0.168 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70.7 | -39.1 | 174.4 | -76.7 | 172.3 | 0 | 0 | 0 | 112.6 | I55 L60 Y70 R71 Q72 E76 L77 A78 | I55-L74 HydrophobicContact CD1-CB 3.53Å; I55-L74 HydrophobicContact CD1-CD1 4.42Å; L60-L74 HydrophobicContact CD2-CD1 3.38Å; Y70-L74 HydrophobicContact CD1-CD1 4.19Å; Y70-L74 HydrophobicContact CE1-CD1 3.76Å; Y70-L74 PolarHBondContact O-N 3.41Å; Y70-L74 VanDerWaalsContact O-N 3.12Å; R71-L74 PolarHBondContact O-N 2.72Å; R71-L74 VanDerWaalsContact O-N 3.15Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 2.95Å; L74-E76 VanDerWaalsContact C-N 3.32Å; L74-L77 PolarHBondContact O-N 3.35Å; L74-A78 VanDerWaalsContact O-CB 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.29Å; L74-A78 PolarHBondContact O-N 3.39Å |
| 75 | E | 71.6 | Confident | 69.4 | Low | 65 Ų | 65 | 81.2 Ų | 81.2 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 173.5 | -71.6 | 178.5 | -169.9 | 0 | 0 | 111.1 | I55 R71 Q72 A78 G79 | I55-E75 HydrophobicContact CD1-CG 3.57Å; I55-E75 HydrophobicContact CG1-CG 3.61Å; I55-E75 HydrophobicContact CG2-CG 4.26Å; R71-E75 PolarHBondContact O-N 3.47Å; Q72-E75 PolarHBondContact O-N 3.46Å; E75-A78 PolarHBondContact O-N 3.28Å; E75-G79 PolarHBondContact O-N 3.48Å |
| 76 | E | 71.2 | Confident | 69.6 | Low | 71 Ų | 71 | 76.4 Ų | 76.4 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 177.7 | -70.3 | -176 | -146.2 | 0 | 0 | 112.4 | Y28 Q72 L74 G79 L80 | Y28-E76 WeakPolarHBondContact CE1-OE1 3.47Å; Y28-E76 PolarHBondContact OH-OE1 3.47Å; Y28-E76 PolarHBondContact OH-OE2 2.98Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.36Å; Q72-E76 PolarHBondContact NE2-OE1 3.41Å; Q72-E76 WeakPolarHBondContact O-CG 3.43Å; Q72-E76 PolarHBondContact O-N 2.96Å; L74-E76 VanDerWaalsContact C-N 3.32Å; E76-G79 PolarHBondContact O-N 3Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.18Å |
| 77 | L | 70.7 | Confident | 69.7 | Low | 93 Ų | 93 | 71.7 Ų | 71.7 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 173.6 | -175.8 | 66.4 | 0 | 0 | 0 | 111.7 | G73 L74 G79 L80 | G73-L77 WeakPolarHBondContact O-CB 3.34Å; G73-L77 PolarHBondContact O-N 3.35Å; L74-L77 PolarHBondContact O-N 3.35Å; L77-G79 VanDerWaalsContact C-N 3.29Å; L77-G79 PolarHBondContact O-N 3.27Å; L77-L80 PolarHBondContact O-N 3Å |
| 78 | A | 68.4 | Low | 69.6 | Low | 27 Ų | 27 | 72.6 Ų | 72.6 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67 | -30 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V53 I55 L74 E75 L80 | V53-A78 HydrophobicContact CB-CB 3.71Å; V53-A78 HydrophobicContact CG1-CB 3.88Å; V53-A78 HydrophobicContact CG2-CB 4.2Å; I55-A78 HydrophobicContact CG2-CB 4Å; L74-A78 VanDerWaalsContact O-CB 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.29Å; L74-A78 PolarHBondContact O-N 3.39Å; E75-A78 PolarHBondContact O-N 3.28Å; A78-L80 VanDerWaalsContact C-N 3.28Å; A78-L80 PolarHBondContact O-N 3.42Å |
| 79 | G | 65.4 | Low | 69.3 | Low | 10 Ų | 10 | 70.7 Ų | 70.7 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T49 E75 E76 L77 | T49-G79 PolarHBondContact OG1-O 3.27Å; E75-G79 PolarHBondContact O-N 3.48Å; E76-G79 PolarHBondContact O-N 3Å; L77-G79 VanDerWaalsContact C-N 3.29Å; L77-G79 PolarHBondContact O-N 3.27Å |
| 80 | L | 64.8 | Low | 69.2 | Low | 77 Ų | 77 | 71.8 Ų | 71.8 | 40% | 0.403 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -16.9 | 178 | -75.3 | 167.3 | 0 | 0 | 0 | 113.8 | I43 E76 L77 A78 | I43-L80 HydrophobicContact CG2-CD2 3.72Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.18Å; L77-L80 PolarHBondContact O-N 3Å; A78-L80 VanDerWaalsContact C-N 3.28Å; A78-L80 PolarHBondContact O-N 3.42Å |
| 81 | M | 54.3 | Low | 69 | Low | 213 Ų | 213 | 71.9 Ų | 71.9 | 100% | 1.049 | 36% | 0.364 | S | S | * | . | trans | -92.8 | 0 | 174.9 | -66.9 | -172.7 | 173.9 | 0 | 0 | 110.9 |
Retrieved 81 of 81 residues in 16.8 ms
(Link to these results)