| 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 | 41.1 | Very low | 57.7 | Low | 227 Ų | 227 | 91.2 Ų | 91.2 | 100% | 1.118 | 52% | 0.515 | S | S | * | . | 0 | 2.5 | 0 | -92.2 | -174.2 | 171.4 | 0 | 0 | 113.3 | |||||
| 2 | V | 47.9 | Very low | 59.1 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | trans | -90.6 | -38.2 | -179.1 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | S4 S5 S6 | V2-S4 VanDerWaalsContact C-N 3.3Å; V2-S4 PolarHBondContact O-N 3.33Å; V2-S5 PolarHBondContact O-N 3.41Å; V2-S6 PolarHBondContact O-N 3.19Å | ||
| 3 | S | 53.1 | Low | 59.9 | Low | 88 Ų | 88 | 86 Ų | 86 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.7 | -30.9 | -173.8 | -41.8 | 0 | 0 | 0 | 0 | 115 | S5 N7 | S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.36Å; S3-N7 PolarHBondContact O-N 3.17Å; S3-N7 PolarHBondContact O-OD1 3.39Å |
| 4 | S | 54.7 | Low | 60.6 | Low | 84 Ų | 84 | 82.3 Ų | 82.3 | 59% | 0.587 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73.7 | -24.4 | -178.5 | -50.8 | 0 | 0 | 0 | 0 | 113.7 | V2 Q8 | V2-S4 VanDerWaalsContact C-N 3.3Å; V2-S4 PolarHBondContact O-N 3.33Å; S4-Q8 WeakPolarHBondContact O-CG 3.35Å; S4-Q8 PolarHBondContact O-NE2 3.37Å |
| 5 | S | 57.1 | Low | 61.5 | Low | 72 Ų | 72 | 87.2 Ų | 87.2 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -86.7 | -34.3 | 179.8 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | V2 S3 Q8 | V2-S5 PolarHBondContact O-N 3.41Å; S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.36Å; S5-Q8 PolarHBondContact O-N 3Å |
| 6 | S | 57.3 | Low | 62.5 | Low | 18 Ų | 18 | 88.9 Ų | 88.9 | 13% | 0.126 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63 | -48.6 | 177 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | V2 Q8 I9 T10 | V2-S6 PolarHBondContact O-N 3.19Å; S6-Q8 PolarHBondContact O-N 3.16Å; S6-I9 PolarHBondContact O-N 3.04Å; S6-I9 VanDerWaalsContact O-N 3.08Å; S6-T10 PolarHBondContact O-N 2.73Å |
| 7 | N | 58.8 | Low | 63.5 | Low | 66 Ų | 66 | 84.6 Ų | 84.6 | 35% | 0.353 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -27.4 | 179.1 | -66.1 | 21.9 | 0 | 0 | 0 | 112.6 | S3 T10 D11 | S3-N7 PolarHBondContact O-N 3.17Å; S3-N7 PolarHBondContact O-OD1 3.39Å; N7-T10 PolarHBondContact O-OG1 3.03Å; N7-T10 VanDerWaalsContact O-OG1 3.08Å; N7-D11 WeakPolarHBondContact O-CB 3.23Å; N7-D11 PolarHBondContact O-N 3.26Å |
| 8 | Q | 63.5 | Low | 64.6 | Low | 134 Ų | 134 | 83.8 Ų | 83.8 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.9 | -32.3 | 175.6 | -76.6 | 175.2 | 23.7 | 0 | 0 | 112.9 | S4 S5 S6 N12 | S4-Q8 WeakPolarHBondContact O-CG 3.35Å; S4-Q8 PolarHBondContact O-NE2 3.37Å; S5-Q8 PolarHBondContact O-N 3Å; S6-Q8 PolarHBondContact O-N 3.16Å; Q8-N12 VanDerWaalsContact O-CB 3.24Å; Q8-N12 WeakPolarHBondContact O-CB 3.47Å; Q8-N12 PolarHBondContact O-N 3.27Å |
| 9 | I | 65.7 | Low | 65.6 | Low | 112 Ų | 112 | 84.7 Ų | 84.7 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.1 | -46.2 | 178.7 | -63.5 | 171.7 | 0 | 0 | 0 | 109.5 | S6 L13 | S6-I9 PolarHBondContact O-N 3.04Å; S6-I9 VanDerWaalsContact O-N 3.08Å; I9-L13 PolarHBondContact O-N 3.38Å |
| 10 | T | 66.3 | Low | 66.6 | Low | 5 Ų | 5 | 87.1 Ų | 87.1 | 3% | 0.031 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -69.6 | -43.3 | -179.4 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | S6 N7 N12 L13 V14 I70 P79 E80 | S6-T10 PolarHBondContact O-N 2.73Å; N7-T10 PolarHBondContact O-OG1 3.03Å; N7-T10 VanDerWaalsContact O-OG1 3.08Å; T10-N12 VanDerWaalsContact C-N 3.35Å; T10-N12 PolarHBondContact O-N 3.14Å; T10-L13 WeakPolarHBondContact O-CB 3.28Å; T10-L13 PolarHBondContact O-N 3.3Å; T10-L13 VanDerWaalsContact O-N 3.15Å; T10-V14 WeakPolarHBondContact O-CG2 3.49Å; T10-V14 PolarHBondContact O-N 3.44Å; T10-V14 VanDerWaalsContact O-N 3.09Å; T10-I70 HydrophobicContact CG2-CB 4.39Å; T10-I70 HydrophobicContact CG2-CD1 3.44Å; T10-I70 VanDerWaalsContact CG2-CD1 3.44Å; T10-I70 HydrophobicContact CG2-CG1 4.45Å; T10-P79 HydrophobicContact CG2-CB 4.47Å; T10-E80 HydrophobicContact CG2-CG 4.07Å |
| 11 | D | 69.5 | Low | 67.3 | Low | 85 Ų | 85 | 85.5 Ų | 85.5 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 175.1 | -78.9 | -16.4 | 0 | 0 | 0 | 112.3 | N7 L13 V14 Q15 | N7-D11 WeakPolarHBondContact O-CB 3.23Å; N7-D11 PolarHBondContact O-N 3.26Å; D11-L13 VanDerWaalsContact C-N 3.27Å; D11-L13 PolarHBondContact O-N 2.76Å; D11-V14 PolarHBondContact O-N 2.98Å; D11-Q15 WeakPolarHBondContact O-CG 3.36Å; D11-Q15 PolarHBondContact O-N 3.47Å |
| 12 | N | 73.9 | Confident | 69.5 | Low | 87 Ų | 87 | 75.7 Ų | 75.7 | 47% | 0.465 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 177.9 | -166.4 | -77 | 0 | 0 | 0 | 111.7 | Q8 T10 Q15 Q16 | Q8-N12 VanDerWaalsContact O-CB 3.24Å; Q8-N12 WeakPolarHBondContact O-CB 3.47Å; Q8-N12 PolarHBondContact O-N 3.27Å; T10-N12 VanDerWaalsContact C-N 3.35Å; T10-N12 PolarHBondContact O-N 3.14Å; N12-Q15 WeakPolarHBondContact O-CB 3.29Å; N12-Q15 PolarHBondContact O-N 2.98Å; N12-Q16 PolarHBondContact O-N 3.22Å; N12-Q16 PolarHBondContact OD1-NE2 3Å |
| 13 | L | 69.4 | Low | 71.4 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.7 | -41.3 | 179.8 | -168 | 77.2 | 0 | 0 | 0 | 112.3 | I9 T10 D11 Q15 Q16 L83 K86 | I9-L13 PolarHBondContact O-N 3.38Å; T10-L13 WeakPolarHBondContact O-CB 3.28Å; T10-L13 PolarHBondContact O-N 3.3Å; T10-L13 VanDerWaalsContact O-N 3.15Å; D11-L13 VanDerWaalsContact C-N 3.27Å; D11-L13 PolarHBondContact O-N 2.76Å; L13-Q15 PolarHBondContact O-N 3.19Å; L13-Q16 WeakPolarHBondContact O-CB 3.24Å; L13-Q16 PolarHBondContact O-N 3.32Å; L13-L83 HydrophobicContact CD2-CB 3.51Å; L13-L83 HydrophobicContact CD2-CD1 3.36Å; L13-L83 HydrophobicContact CD2-CG 3.99Å; L13-K86 HydrophobicContact CD1-CD 4.15Å; L13-K86 HydrophobicContact CG-CD 4.41Å |
| 14 | V | 70.3 | Confident | 72.9 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.7 | -33.3 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | T10 D11 Q16 L17 P79 C82 | T10-V14 WeakPolarHBondContact O-CG2 3.49Å; T10-V14 PolarHBondContact O-N 3.44Å; T10-V14 VanDerWaalsContact O-N 3.09Å; D11-V14 PolarHBondContact O-N 2.98Å; V14-Q16 PolarHBondContact O-N 3.13Å; V14-L17 PolarHBondContact O-N 3.21Å; V14-P79 HydrophobicContact CG2-CB 3.86Å; V14-P79 HydrophobicContact CG2-CG 4.39Å; V14-C82 HydrophobicContact CG2-CB 4.15Å |
| 15 | Q | 74.5 | Confident | 74.5 | Confident | 156 Ų | 156 | 71.9 Ų | 71.9 | 73% | 0.729 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.8 | 174.4 | -67.7 | 173.4 | 14.9 | 0 | 0 | 114.3 | D11 N12 L13 | D11-Q15 WeakPolarHBondContact O-CG 3.36Å; D11-Q15 PolarHBondContact O-N 3.47Å; N12-Q15 WeakPolarHBondContact O-CB 3.29Å; N12-Q15 PolarHBondContact O-N 2.98Å; L13-Q15 PolarHBondContact O-N 3.19Å |
| 16 | Q | 76.8 | Confident | 76.1 | Confident | 114 Ų | 114 | 73.3 Ų | 73.3 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 0.6 | 175.9 | -63.9 | 174.5 | 32.2 | 0 | 0 | 113.1 | N12 L13 V14 | N12-Q16 PolarHBondContact O-N 3.22Å; N12-Q16 PolarHBondContact OD1-NE2 3Å; L13-Q16 WeakPolarHBondContact O-CB 3.24Å; L13-Q16 PolarHBondContact O-N 3.32Å; V14-Q16 PolarHBondContact O-N 3.13Å |
| 17 | L | 79.7 | Confident | 77.5 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -89.4 | 144.5 | 175.2 | -64.2 | 176.5 | 0 | 0 | 0 | 110.2 | V14 E21 V22 F25 C82 K86 | V14-L17 PolarHBondContact O-N 3.21Å; L17-E21 HydrophobicContact CB-CB 4.31Å; L17-E21 HydrophobicContact CD2-CB 4.36Å; L17-V22 HydrophobicContact CB-CG2 3.5Å; L17-V22 VanDerWaalsContact CB-CG2 3.5Å; L17-V22 HydrophobicContact CD1-CG2 4.07Å; L17-V22 HydrophobicContact CG-CG2 4.45Å; L17-F25 HydrophobicContact CD1-CD2 3.68Å; L17-F25 HydrophobicContact CD1-CE2 3.75Å; L17-F25 HydrophobicContact CD2-CE2 3.81Å; L17-F25 HydrophobicContact CG-CE2 4.45Å; L17-C82 HydrophobicContact CD1-CB 3.9Å; L17-K86 HydrophobicContact CD2-CD 4.05Å |
| 18 | T | 83.7 | Confident | 78.9 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | trans | -67.4 | 155.3 | 168.8 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | D20 E21 V22 | T18-D20 PolarHBondContact O-N 2.91Å; T18-E21 WeakPolarHBondContact CB-OE2 3.33Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.46Å; T18-E21 PolarHBondContact N-OE2 2.94Å; T18-E21 PolarHBondContact O-N 2.94Å; T18-E21 WeakPolarHBondContact OG1-CB 3.33Å; T18-E21 VanDerWaalsContact OG1-CD 3.32Å; T18-E21 WeakPolarHBondContact OG1-CG 3.4Å; T18-E21 PolarHBondContact OG1-N 3.42Å; T18-E21 PolarHBondContact OG1-OE2 2.94Å; T18-V22 WeakPolarHBondContact O-CG2 3.35Å; T18-V22 PolarHBondContact O-N 3.36Å | ||
| 19 | P | 83.7 | Confident | 80.1 | Confident | 101 Ų | 101 | 70.9 Ų | 70.9 | 66% | 0.656 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -54 | -39 | 175.6 | -26.9 | 35.7 | 0 | 0 | 0 | 113.1 | V22 D23 | P19-V22 PolarHBondContact O-N 3.3Å; P19-D23 PolarHBondContact O-N 3.17Å |
| 20 | D | 84.3 | Confident | 81.3 | Confident | 131 Ų | 131 | 70.7 Ų | 70.7 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.7 | -44.2 | 179.8 | -64.1 | -15.1 | 0 | 0 | 0 | 111.6 | T18 V22 D23 E24 | T18-D20 PolarHBondContact O-N 2.91Å; D20-V22 VanDerWaalsContact C-N 3.35Å; D20-V22 PolarHBondContact O-N 3.22Å; D20-D23 PolarHBondContact O-N 2.81Å; D20-E24 WeakPolarHBondContact O-CB 3.44Å; D20-E24 PolarHBondContact O-N 2.92Å |
| 21 | E | 81.7 | Confident | 82.3 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.1 | -73.4 | 166.8 | 133.5 | 0 | 0 | 111.7 | L17 T18 D23 E24 F25 | L17-E21 HydrophobicContact CB-CB 4.31Å; L17-E21 HydrophobicContact CD2-CB 4.36Å; T18-E21 WeakPolarHBondContact CB-OE2 3.33Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.46Å; T18-E21 PolarHBondContact N-OE2 2.94Å; T18-E21 PolarHBondContact O-N 2.94Å; T18-E21 WeakPolarHBondContact OG1-CB 3.33Å; T18-E21 VanDerWaalsContact OG1-CD 3.32Å; T18-E21 WeakPolarHBondContact OG1-CG 3.4Å; T18-E21 PolarHBondContact OG1-N 3.42Å; T18-E21 PolarHBondContact OG1-OE2 2.94Å; E21-D23 VanDerWaalsContact C-N 3.31Å; E21-D23 PolarHBondContact O-N 2.96Å; E21-E24 PolarHBondContact O-N 3.41Å; E21-F25 HydrophobicContact CB-CZ 4.47Å; E21-F25 WeakPolarHBondContact O-CB 3.44Å; E21-F25 WeakPolarHBondContact O-CD1 3.49Å; E21-F25 WeakPolarHBondContact O-CG 3.18Å; E21-F25 PolarHBondContact O-N 3.49Å |
| 22 | V | 87.3 | Confident | 83.2 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 178 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L17 T18 P19 D20 R26 F78 | L17-V22 HydrophobicContact CB-CG2 3.5Å; L17-V22 VanDerWaalsContact CB-CG2 3.5Å; L17-V22 HydrophobicContact CD1-CG2 4.07Å; L17-V22 HydrophobicContact CG-CG2 4.45Å; T18-V22 WeakPolarHBondContact O-CG2 3.35Å; T18-V22 PolarHBondContact O-N 3.36Å; P19-V22 PolarHBondContact O-N 3.3Å; D20-V22 VanDerWaalsContact C-N 3.35Å; D20-V22 PolarHBondContact O-N 3.22Å; V22-R26 VanDerWaalsContact O-CB 3.24Å; V22-R26 WeakPolarHBondContact O-CB 3.33Å; V22-R26 PolarHBondContact O-N 3.06Å; V22-F78 HydrophobicContact CG1-CE1 4.49Å; V22-F78 HydrophobicContact CG1-CZ 4.3Å |
| 23 | D | 87.6 | Confident | 84 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 178.6 | -76.1 | -16.1 | 0 | 0 | 0 | 111.4 | P19 D20 E21 F25 R26 E27 | P19-D23 PolarHBondContact O-N 3.17Å; D20-D23 PolarHBondContact O-N 2.81Å; E21-D23 VanDerWaalsContact C-N 3.31Å; E21-D23 PolarHBondContact O-N 2.96Å; D23-F25 PolarHBondContact O-N 3.05Å; D23-R26 PolarHBondContact O-N 2.96Å; D23-R26 IonicContact OD1-NH1 2.97Å; D23-R26 PolarHBondContact OD1-NH1 3.01Å; D23-E27 WeakPolarHBondContact O-CG 3.3Å; D23-E27 PolarHBondContact O-N 3.49Å |
| 24 | E | 85.4 | Confident | 84.9 | Confident | 114 Ų | 114 | 75.4 Ų | 75.4 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 173.7 | -176.9 | 176.9 | -172.6 | 0 | 0 | 111.7 | D20 E21 R26 E27 A28 | D20-E24 WeakPolarHBondContact O-CB 3.44Å; D20-E24 PolarHBondContact O-N 2.92Å; E21-E24 PolarHBondContact O-N 3.41Å; E24-R26 VanDerWaalsContact C-N 3.28Å; E24-R26 PolarHBondContact O-N 3.26Å; E24-E27 PolarHBondContact O-N 3.01Å; E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 2.93Å |
| 25 | F | 88.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 0% | 0.004 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.8 | -32.3 | 179.1 | -66.7 | -5.3 | 0 | 0 | 0 | 112 | L17 E21 D23 F29 F78 F81 C82 M85 M89 | L17-F25 HydrophobicContact CD1-CD2 3.68Å; L17-F25 HydrophobicContact CD1-CE2 3.75Å; L17-F25 HydrophobicContact CD2-CE2 3.81Å; L17-F25 HydrophobicContact CG-CE2 4.45Å; E21-F25 HydrophobicContact CB-CZ 4.47Å; E21-F25 WeakPolarHBondContact O-CB 3.44Å; E21-F25 WeakPolarHBondContact O-CD1 3.49Å; E21-F25 WeakPolarHBondContact O-CG 3.18Å; E21-F25 PolarHBondContact O-N 3.49Å; D23-F25 PolarHBondContact O-N 3.05Å; F25-F29 WeakPolarHBondContact O-CB 3.2Å; F25-F29 PolarHBondContact O-N 3.39Å; F25-F78 HydrophobicContact CB-CE2 4.34Å; F25-F81 WeakPolarHBondContact O-CE1 3.31Å; F25-C82 HydrophobicContact CD2-CB 4.21Å; F25-M85 HydrophobicContact CD1-CB 4.01Å; F25-M85 HydrophobicContact CD1-CE 4.22Å; F25-M85 HydrophobicContact CD1-CG 4.27Å; F25-M85 HydrophobicContact CD2-CB 4.16Å; F25-M85 HydrophobicContact CE1-CB 3.83Å; F25-M85 HydrophobicContact CE1-CE 4.2Å; F25-M85 HydrophobicContact CE2-CB 3.97Å; F25-M85 HydrophobicContact CG-CB 4.19Å; F25-M85 HydrophobicContact CG-CG 4.44Å; F25-M85 HydrophobicContact CZ-CB 3.81Å; F25-M89 HydrophobicContact CE1-SD 3.43Å; F25-M89 WeakPolarHBondContact CE1-SD 3.29Å; F25-M89 HydrophobicContact CZ-SD 3.38Å; F25-M89 WeakPolarHBondContact CZ-SD 3.42Å |
| 26 | R | 89.3 | Confident | 86.7 | Confident | 101 Ų | 101 | 79 Ų | 79 | 38% | 0.381 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 174.9 | -175.6 | 176.3 | -67.4 | 108.4 | 5 | 111.3 | V22 D23 E24 A28 F29 M30 F78 | V22-R26 VanDerWaalsContact O-CB 3.24Å; V22-R26 WeakPolarHBondContact O-CB 3.33Å; V22-R26 PolarHBondContact O-N 3.06Å; D23-R26 PolarHBondContact O-N 2.96Å; D23-R26 IonicContact OD1-NH1 2.97Å; D23-R26 PolarHBondContact OD1-NH1 3.01Å; E24-R26 VanDerWaalsContact C-N 3.28Å; E24-R26 PolarHBondContact O-N 3.26Å; R26-A28 VanDerWaalsContact C-N 3.34Å; R26-F29 PolarHBondContact O-N 3.13Å; R26-M30 HydrophobicContact CG-SD 4.27Å; R26-M30 WeakPolarHBondContact O-CB 3.3Å; R26-M30 VanDerWaalsContact O-CG 3.25Å; R26-M30 WeakPolarHBondContact O-CG 3.42Å; R26-M30 PolarHBondContact O-N 2.91Å; R26-F78 HydrophobicContact CB-CE2 3.97Å; R26-F78 HydrophobicContact CB-CZ 4.12Å |
| 27 | E | 88.3 | Confident | 87.4 | Confident | 141 Ų | 141 | 77.5 Ų | 77.5 | 66% | 0.659 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 174.4 | -71.6 | -169.8 | 168.9 | 0 | 0 | 111.2 | D23 E24 M30 M31 | D23-E27 WeakPolarHBondContact O-CG 3.3Å; D23-E27 PolarHBondContact O-N 3.49Å; E24-E27 PolarHBondContact O-N 3.01Å; E27-M30 PolarHBondContact O-N 2.88Å; E27-M31 WeakPolarHBondContact O-CG 3.36Å; E27-M31 PolarHBondContact O-N 2.79Å |
| 28 | A | 87.2 | Confident | 88 | Confident | 16 Ų | 16 | 78.5 Ų | 78.5 | 13% | 0.132 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.5 | -51.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E24 R26 M30 M31 F32 F81 | E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 2.93Å; R26-A28 VanDerWaalsContact C-N 3.34Å; A28-M30 VanDerWaalsContact C-N 3.31Å; A28-M30 PolarHBondContact O-N 2.97Å; A28-M31 WeakPolarHBondContact O-CA 3.15Å; A28-M31 VanDerWaalsContact O-CB 3.27Å; A28-M31 WeakPolarHBondContact O-CB 3.3Å; A28-M31 PolarHBondContact O-N 2.96Å; A28-F32 WeakPolarHBondContact O-CD2 3.34Å; A28-F32 PolarHBondContact O-N 3.24Å; A28-F81 HydrophobicContact CB-CE1 4.01Å; A28-F81 HydrophobicContact CB-CZ 4.06Å |
| 29 | F | 89.9 | Confident | 88.5 | Confident | 11 Ų | 11 | 76.1 Ų | 76.1 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -54.4 | -45.6 | 178.3 | -175.1 | -90.1 | 0 | 0 | 0 | 112.2 | F25 R26 M31 F32 D33 G38 I40 F78 F81 | F25-F29 WeakPolarHBondContact O-CB 3.2Å; F25-F29 PolarHBondContact O-N 3.39Å; R26-F29 PolarHBondContact O-N 3.13Å; F29-M31 PolarHBondContact O-N 3.06Å; F29-F32 WeakPolarHBondContact O-CA 3.24Å; F29-F32 PolarHBondContact O-N 3.04Å; F29-D33 HydrophobicContact CD1-CB 4.13Å; F29-D33 HydrophobicContact CE1-CB 3.78Å; F29-D33 HydrophobicContact CZ-CB 4.41Å; F29-D33 PolarHBondContact O-N 3.45Å; F29-G38 WeakPolarHBondContact CZ-O 3.32Å; F29-I40 HydrophobicContact CD2-CD1 3.47Å; F29-I40 VanDerWaalsContact CD2-CD1 3.47Å; F29-I40 HydrophobicContact CD2-CG1 4.04Å; F29-I40 HydrophobicContact CE2-CD1 3.46Å; F29-I40 VanDerWaalsContact CE2-CD1 3.46Å; F29-I40 HydrophobicContact CE2-CG1 3.61Å; F29-I40 HydrophobicContact CG-CD1 4.29Å; F29-I40 HydrophobicContact CZ-CD1 4.26Å; F29-I40 HydrophobicContact CZ-CG1 3.93Å; F29-F78 HydrophobicContact CB-CD2 3.91Å; F29-F78 HydrophobicContact CB-CE2 4.24Å; F29-F78 HydrophobicContact CD1-CD2 4.31Å; F29-F78 HydrophobicContact CD2-CB 4.37Å; F29-F78 AromaticContact CD2-CD2 3.98Å; F29-F78 HydrophobicContact CD2-CD2 3.98Å; F29-F78 HydrophobicContact CE2-CB 4.19Å; F29-F78 AromaticContact CG-CD2 3.8Å; F29-F78 HydrophobicContact CG-CD2 3.8Å; F29-F78 HydrophobicContact CZ-CB 4.3Å; F29-F81 HydrophobicContact CB-CD1 3.96Å; F29-F81 HydrophobicContact CB-CE1 4Å; F29-F81 HydrophobicContact CB-CG 4.48Å; F29-F81 HydrophobicContact CD2-CB 3.61Å; F29-F81 AromaticContact CD2-CD1 3.86Å; F29-F81 HydrophobicContact CD2-CD1 3.86Å; F29-F81 HydrophobicContact CD2-CD2 4Å; F29-F81 AromaticContact CD2-CG 3.56Å; F29-F81 HydrophobicContact CD2-CG 3.56Å; F29-F81 HydrophobicContact CE2-CB 3.98Å; F29-F81 HydrophobicContact CE2-CG 4.33Å; F29-F81 HydrophobicContact CG-CD1 4.43Å |
| 30 | M | 89.5 | Confident | 88.9 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 53% | 0.527 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -20.2 | 177 | -71.9 | 177.6 | 70.6 | 0 | 0 | 113.6 | R26 E27 A28 | R26-M30 HydrophobicContact CG-SD 4.27Å; R26-M30 WeakPolarHBondContact O-CB 3.3Å; R26-M30 VanDerWaalsContact O-CG 3.25Å; R26-M30 WeakPolarHBondContact O-CG 3.42Å; R26-M30 PolarHBondContact O-N 2.91Å; E27-M30 PolarHBondContact O-N 2.88Å; A28-M30 VanDerWaalsContact C-N 3.31Å; A28-M30 PolarHBondContact O-N 2.97Å |
| 31 | M | 87.2 | Confident | 89.3 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 61% | 0.606 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -74.8 | -29.8 | 170.1 | -67.8 | -164 | -76.8 | 0 | 0 | 112.2 | E27 A28 F29 K34 | E27-M31 WeakPolarHBondContact O-CG 3.36Å; E27-M31 PolarHBondContact O-N 2.79Å; A28-M31 WeakPolarHBondContact O-CA 3.15Å; A28-M31 VanDerWaalsContact O-CB 3.27Å; A28-M31 WeakPolarHBondContact O-CB 3.3Å; A28-M31 PolarHBondContact O-N 2.96Å; F29-M31 PolarHBondContact O-N 3.06Å; M31-K34 VanDerWaalsContact O-CE 3.23Å; M31-K34 WeakPolarHBondContact O-CE 3.41Å; M31-K34 PolarHBondContact O-NZ 3.03Å |
| 32 | F | 88.2 | Confident | 89.8 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -82.4 | -51.6 | 175.9 | -68.3 | -92.1 | 0 | 0 | 0 | 111.5 | A28 F29 K34 I40 E44 L45 A48 F81 | A28-F32 WeakPolarHBondContact O-CD2 3.34Å; A28-F32 PolarHBondContact O-N 3.24Å; F29-F32 WeakPolarHBondContact O-CA 3.24Å; F29-F32 PolarHBondContact O-N 3.04Å; F32-K34 PolarHBondContact O-N 3.34Å; F32-I40 HydrophobicContact CB-CD1 3.45Å; F32-I40 VanDerWaalsContact CB-CD1 3.45Å; F32-I40 HydrophobicContact CB-CG1 3.7Å; F32-I40 HydrophobicContact CB-CG2 4.08Å; F32-I40 HydrophobicContact CD2-CD1 4.47Å; F32-I40 HydrophobicContact CG-CD1 4.04Å; F32-E44 WeakPolarHBondContact O-CB 3.41Å; F32-L45 HydrophobicContact CD1-CD1 4.26Å; F32-L45 HydrophobicContact CE1-CD1 4.14Å; F32-A48 HydrophobicContact CD1-CB 3.18Å; F32-A48 HydrophobicContact CE1-CB 3.23Å; F32-A48 HydrophobicContact CG-CB 4.19Å; F32-A48 HydrophobicContact CZ-CB 4.26Å; F32-F81 AromaticContact CD2-CE2 3.73Å; F32-F81 HydrophobicContact CD2-CE2 3.73Å; F32-F81 AromaticContact CD2-CZ 3.8Å; F32-F81 HydrophobicContact CD2-CZ 3.8Å; F32-F81 AromaticContact CE2-CE2 3.88Å; F32-F81 HydrophobicContact CE2-CE2 3.88Å; F32-F81 AromaticContact CE2-CZ 3.78Å; F32-F81 HydrophobicContact CE2-CZ 3.78Å; F32-F81 HydrophobicContact CG-CE2 4.36Å |
| 33 | D | 91.6 | Very high | 90 | Very high | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | trans | -69.4 | 94.6 | 178 | 177.9 | 5.3 | 0 | 0 | 0 | 110.5 | F29 K36 N37 G38 I40 | F29-D33 HydrophobicContact CD1-CB 4.13Å; F29-D33 HydrophobicContact CE1-CB 3.78Å; F29-D33 HydrophobicContact CZ-CB 4.41Å; F29-D33 PolarHBondContact O-N 3.45Å; D33-K36 WeakPolarHBondContact OD1-CA 3.05Å; D33-K36 PolarHBondContact OD1-N 2.79Å; D33-K36 WeakPolarHBondContact OD2-CA 3.17Å; D33-N37 PolarHBondContact OD1-N 3.26Å; D33-N37 PolarHBondContact OD2-N 2.8Å; D33-G38 WeakPolarHBondContact OD2-CA 3.47Å; D33-G38 PolarHBondContact OD2-N 3.1Å; D33-I40 HydrophobicContact CB-CG1 4.41Å | ||
| 34 | K | 89.1 | Confident | 90.2 | Very high | 132 Ų | 132 | 69 Ų | 69 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -83.1 | -34.2 | -174.2 | -68 | -51.7 | -170.4 | -165.3 | 0 | 111.9 | M31 F32 K36 E44 | M31-K34 VanDerWaalsContact O-CE 3.23Å; M31-K34 WeakPolarHBondContact O-CE 3.41Å; M31-K34 PolarHBondContact O-NZ 3.03Å; F32-K34 PolarHBondContact O-N 3.34Å; K34-K36 VanDerWaalsContact C-N 3.35Å; K34-E44 HydrophobicContact CB-CG 4.47Å; K34-E44 PolarHBondContact N-OE1 2.96Å |
| 35 | D | 91.5 | Very high | 90.5 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -86.9 | -9.7 | -179.1 | 74.7 | 10.5 | 0 | 0 | 0 | 113 | N37 E44 | D35-N37 VanDerWaalsContact C-N 3.31Å; D35-N37 VanDerWaalsContact CG-ND2 3.35Å; D35-N37 WeakPolarHBondContact OD1-CB 3.38Å; D35-N37 PolarHBondContact OD1-N 2.98Å; D35-N37 PolarHBondContact OD1-ND2 3.39Å; D35-N37 PolarHBondContact OD1-OD1 3.06Å; D35-N37 PolarHBondContact OD2-ND2 2.89Å; D35-E44 PolarHBondContact N-OE1 2.86Å |
| 36 | K | 89.8 | Confident | 90.6 | Very high | 163 Ų | 163 | 64 Ų | 64 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | trans | 64.2 | 32.7 | 179 | -55.5 | -177.7 | 178 | -175.9 | 0 | 112.8 | D33 K34 G38 | D33-K36 WeakPolarHBondContact OD1-CA 3.05Å; D33-K36 PolarHBondContact OD1-N 2.79Å; D33-K36 WeakPolarHBondContact OD2-CA 3.17Å; K34-K36 VanDerWaalsContact C-N 3.35Å; K36-G38 VanDerWaalsContact C-N 3.27Å | ||
| 37 | N | 92.7 | Very high | 90.6 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -80.2 | -9.7 | 177.5 | 70 | 17.8 | 0 | 0 | 0 | 112.8 | D33 D35 T39 | D33-N37 PolarHBondContact OD1-N 3.26Å; D33-N37 PolarHBondContact OD2-N 2.8Å; D35-N37 VanDerWaalsContact C-N 3.31Å; D35-N37 VanDerWaalsContact CG-ND2 3.35Å; D35-N37 WeakPolarHBondContact OD1-CB 3.38Å; D35-N37 PolarHBondContact OD1-N 2.98Å; D35-N37 PolarHBondContact OD1-ND2 3.39Å; D35-N37 PolarHBondContact OD1-OD1 3.06Å; D35-N37 PolarHBondContact OD2-ND2 2.89Å; N37-T39 PolarHBondContact OD1-N 3.06Å; N37-T39 PolarHBondContact OD1-O 3.23Å; N37-T39 PolarHBondContact OD1-OG1 3.43Å |
| 38 | G | 91.6 | Very high | 90.6 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 39% | 0.392 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 93.6 | 6.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | F29 D33 K36 | F29-G38 WeakPolarHBondContact CZ-O 3.32Å; D33-G38 WeakPolarHBondContact OD2-CA 3.47Å; D33-G38 PolarHBondContact OD2-N 3.1Å; K36-G38 VanDerWaalsContact C-N 3.27Å |
| 39 | T | 93.3 | Very high | 90.4 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 156.8 | 177.8 | 64 | 0 | 0 | 0 | 0 | 110.6 | N37 Q75 I76 E77 | N37-T39 PolarHBondContact OD1-N 3.06Å; N37-T39 PolarHBondContact OD1-O 3.23Å; N37-T39 PolarHBondContact OD1-OG1 3.43Å; T39-Q75 VanDerWaalsContact CB-OE1 3.32Å; T39-Q75 PolarHBondContact OG1-OE1 2.72Å; T39-I76 CarbonylContact C-O 3.54Å; T39-I76 WeakPolarHBondContact CA-O 3.36Å; T39-E77 HydrophobicContact CG2-CG 4.15Å |
| 40 | I | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.8 | 174 | -59.2 | 162.5 | 0 | 0 | 0 | 108.4 | F29 F32 D33 E44 L45 Q75 I76 F81 | F29-I40 HydrophobicContact CD2-CD1 3.47Å; F29-I40 VanDerWaalsContact CD2-CD1 3.47Å; F29-I40 HydrophobicContact CD2-CG1 4.04Å; F29-I40 HydrophobicContact CE2-CD1 3.46Å; F29-I40 VanDerWaalsContact CE2-CD1 3.46Å; F29-I40 HydrophobicContact CE2-CG1 3.61Å; F29-I40 HydrophobicContact CG-CD1 4.29Å; F29-I40 HydrophobicContact CZ-CD1 4.26Å; F29-I40 HydrophobicContact CZ-CG1 3.93Å; F32-I40 HydrophobicContact CB-CD1 3.45Å; F32-I40 VanDerWaalsContact CB-CD1 3.45Å; F32-I40 HydrophobicContact CB-CG1 3.7Å; F32-I40 HydrophobicContact CB-CG2 4.08Å; F32-I40 HydrophobicContact CD2-CD1 4.47Å; F32-I40 HydrophobicContact CG-CD1 4.04Å; D33-I40 HydrophobicContact CB-CG1 4.41Å; I40-E44 HydrophobicContact CG2-CB 4.02Å; I40-L45 HydrophobicContact CG2-CB 4.14Å; I40-Q75 WeakPolarHBondContact O-CA 3.42Å; I40-I76 HydrophobicContact CB-CB 4.17Å; I40-I76 PolarHBondContact N-O 2.81Å; I40-I76 PolarHBondContact O-N 3.4Å; I40-F81 HydrophobicContact CD1-CD2 3.43Å; I40-F81 VanDerWaalsContact CD1-CD2 3.43Å; I40-F81 HydrophobicContact CD1-CE2 3.75Å; I40-F81 HydrophobicContact CD1-CG 4.23Å |
| 41 | S | 92.9 | Very high | 89.8 | Confident | 28 Ų | 28 | 62 Ų | 62 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | trans | -81.1 | 161.6 | 173.8 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | K43 E44 L45 | S41-K43 PolarHBondContact O-N 3.45Å; S41-K43 VanDerWaalsContact O-N 3.1Å; S41-E44 WeakPolarHBondContact CB-OE2 3.2Å; S41-E44 PolarHBondContact N-OE2 3.24Å; S41-E44 PolarHBondContact O-N 3.41Å; S41-E44 WeakPolarHBondContact OG-CG 3.42Å; S41-E44 PolarHBondContact OG-N 3.32Å; S41-E44 PolarHBondContact OG-OE2 2.87Å; S41-L45 PolarHBondContact O-N 3.38Å | ||
| 42 | T | 91.6 | Very high | 89.3 | Confident | 40 Ų | 40 | 62 Ų | 62 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -49.1 | -37.6 | 170.2 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | G46 I62 I65 | T42-G46 PolarHBondContact O-N 3.36Å; T42-I62 HydrophobicContact CG2-CG1 4.03Å; T42-I65 HydrophobicContact CG2-CD1 3.36Å |
| 43 | K | 91.8 | Very high | 89 | Confident | 164 Ų | 164 | 63.3 Ų | 63.3 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.3 | -44.3 | 179.9 | -66.6 | -179.6 | -176.6 | 172.4 | 0 | 111.7 | S41 G46 V47 | S41-K43 PolarHBondContact O-N 3.45Å; S41-K43 VanDerWaalsContact O-N 3.1Å; K43-G46 PolarHBondContact O-N 2.97Å; K43-V47 WeakPolarHBondContact O-CG2 3.32Å; K43-V47 PolarHBondContact O-N 2.8Å |
| 44 | E | 93.2 | Very high | 88.6 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 178.9 | -77.2 | 164.8 | 133.5 | 0 | 0 | 111.7 | F32 K34 D35 I40 S41 G46 V47 A48 | F32-E44 WeakPolarHBondContact O-CB 3.41Å; K34-E44 HydrophobicContact CB-CG 4.47Å; K34-E44 PolarHBondContact N-OE1 2.96Å; D35-E44 PolarHBondContact N-OE1 2.86Å; I40-E44 HydrophobicContact CG2-CB 4.02Å; S41-E44 WeakPolarHBondContact CB-OE2 3.2Å; S41-E44 PolarHBondContact N-OE2 3.24Å; S41-E44 PolarHBondContact O-N 3.41Å; S41-E44 WeakPolarHBondContact OG-CG 3.42Å; S41-E44 PolarHBondContact OG-N 3.32Å; S41-E44 PolarHBondContact OG-OE2 2.87Å; E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 2.85Å; E44-V47 PolarHBondContact O-N 2.72Å; E44-V47 VanDerWaalsContact O-N 3.12Å; E44-A48 PolarHBondContact O-N 2.87Å |
| 45 | L | 90 | Very high | 88.7 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.8 | -45.1 | 172.2 | -176 | 61.9 | 0 | 0 | 0 | 110.9 | F32 I40 S41 V47 A48 M49 L61 M64 I65 | F32-L45 HydrophobicContact CD1-CD1 4.26Å; F32-L45 HydrophobicContact CE1-CD1 4.14Å; I40-L45 HydrophobicContact CG2-CB 4.14Å; S41-L45 PolarHBondContact O-N 3.38Å; L45-V47 PolarHBondContact O-N 2.79Å; L45-A48 PolarHBondContact O-N 3.2Å; L45-M49 HydrophobicContact CD1-CG 4.31Å; L45-M49 HydrophobicContact CG-CG 4.42Å; L45-M49 WeakPolarHBondContact O-CB 3.17Å; L45-M49 VanDerWaalsContact O-CG 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.35Å; L45-M49 PolarHBondContact O-N 3.39Å; L45-L61 HydrophobicContact CB-CD2 4.2Å; L45-L61 HydrophobicContact CD2-CD2 3.93Å; L45-L61 HydrophobicContact CG-CD2 3.74Å; L45-M64 HydrophobicContact CD2-CB 3.97Å; L45-M64 HydrophobicContact CD2-SD 4.3Å; L45-I65 HydrophobicContact CD2-CD1 4.16Å; L45-I65 HydrophobicContact CD2-CG1 3.86Å |
| 46 | G | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T42 K43 E44 R50 | T42-G46 PolarHBondContact O-N 3.36Å; K43-G46 PolarHBondContact O-N 2.97Å; E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 2.85Å; G46-R50 VanDerWaalsContact C-NH2 3.31Å; G46-R50 WeakPolarHBondContact O-CB 3.32Å; G46-R50 WeakPolarHBondContact O-CG 3.46Å; G46-R50 PolarHBondContact O-N 2.84Å; G46-R50 VanDerWaalsContact O-N 3.1Å; G46-R50 PolarHBondContact O-NE 3.43Å; G46-R50 PolarHBondContact O-NH2 2.9Å |
| 47 | V | 90.5 | Very high | 88.8 | Confident | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | K43 E44 L45 R50 S51 | K43-V47 WeakPolarHBondContact O-CG2 3.32Å; K43-V47 PolarHBondContact O-N 2.8Å; E44-V47 PolarHBondContact O-N 2.72Å; E44-V47 VanDerWaalsContact O-N 3.12Å; L45-V47 PolarHBondContact O-N 2.79Å; V47-R50 PolarHBondContact O-N 3.02Å; V47-S51 PolarHBondContact O-N 2.83Å; V47-S51 PolarHBondContact O-OG 2.8Å |
| 48 | A | 86.7 | Confident | 88.8 | Confident | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -48.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F32 E44 L45 R50 S51 L52 | F32-A48 HydrophobicContact CD1-CB 3.18Å; F32-A48 HydrophobicContact CE1-CB 3.23Å; F32-A48 HydrophobicContact CG-CB 4.19Å; F32-A48 HydrophobicContact CZ-CB 4.26Å; E44-A48 PolarHBondContact O-N 2.87Å; L45-A48 PolarHBondContact O-N 3.2Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 3.44Å; A48-S51 WeakPolarHBondContact O-CA 3.45Å; A48-S51 VanDerWaalsContact O-CB 3.31Å; A48-S51 WeakPolarHBondContact O-CB 3.35Å; A48-S51 PolarHBondContact O-N 3.3Å; A48-L52 PolarHBondContact O-N 2.84Å; A48-L52 VanDerWaalsContact O-N 3.08Å |
| 49 | M | 85 | Confident | 88.8 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 20% | 0.197 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 176.7 | -70.7 | -64.2 | -79.9 | 0 | 0 | 112.1 | L45 S51 L52 G53 Q54 P56 L61 M64 | L45-M49 HydrophobicContact CD1-CG 4.31Å; L45-M49 HydrophobicContact CG-CG 4.42Å; L45-M49 WeakPolarHBondContact O-CB 3.17Å; L45-M49 VanDerWaalsContact O-CG 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.35Å; L45-M49 PolarHBondContact O-N 3.39Å; M49-S51 VanDerWaalsContact C-N 3.31Å; M49-S51 PolarHBondContact O-N 2.99Å; M49-L52 PolarHBondContact O-N 3.37Å; M49-G53 PolarHBondContact O-N 3.02Å; M49-Q54 HydrophobicContact CB-CB 4.33Å; M49-Q54 HydrophobicContact CE-CB 4.15Å; M49-Q54 HydrophobicContact CE-CG 4.06Å; M49-Q54 WeakPolarHBondContact O-CB 3.33Å; M49-Q54 PolarHBondContact O-N 3.37Å; M49-P56 HydrophobicContact CB-CG 3.64Å; M49-P56 HydrophobicContact CG-CG 4.21Å; M49-L61 HydrophobicContact CG-CD2 4.42Å; M49-M64 HydrophobicContact CE-CE 4.13Å; M49-M64 HydrophobicContact CE-SD 4.18Å |
| 50 | R | 86.4 | Confident | 88.7 | Confident | 116 Ų | 116 | 69.4 Ų | 69.4 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -32 | 173.2 | -75.1 | -174.6 | -66.7 | -90.7 | -2.3 | 114 | G46 V47 A48 L52 G53 Q54 | G46-R50 VanDerWaalsContact C-NH2 3.31Å; G46-R50 WeakPolarHBondContact O-CB 3.32Å; G46-R50 WeakPolarHBondContact O-CG 3.46Å; G46-R50 PolarHBondContact O-N 2.84Å; G46-R50 VanDerWaalsContact O-N 3.1Å; G46-R50 PolarHBondContact O-NE 3.43Å; G46-R50 PolarHBondContact O-NH2 2.9Å; V47-R50 PolarHBondContact O-N 3.02Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 3.44Å; R50-L52 VanDerWaalsContact C-N 3.26Å; R50-L52 PolarHBondContact O-N 3.41Å; R50-G53 PolarHBondContact O-N 3.43Å; R50-G53 VanDerWaalsContact O-N 3.14Å; R50-Q54 VanDerWaalsContact CA-O 3.22Å; R50-Q54 WeakPolarHBondContact CA-O 3.22Å; R50-Q54 WeakPolarHBondContact CG-O 3.46Å |
| 51 | S | 79.9 | Confident | 88.6 | Confident | 98 Ų | 98 | 69.9 Ų | 69.9 | 69% | 0.685 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70 | -26.9 | 174.8 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | V47 A48 M49 G53 | V47-S51 PolarHBondContact O-N 2.83Å; V47-S51 PolarHBondContact O-OG 2.8Å; A48-S51 WeakPolarHBondContact O-CA 3.45Å; A48-S51 VanDerWaalsContact O-CB 3.31Å; A48-S51 WeakPolarHBondContact O-CB 3.35Å; A48-S51 PolarHBondContact O-N 3.3Å; M49-S51 VanDerWaalsContact C-N 3.31Å; M49-S51 PolarHBondContact O-N 2.99Å; S51-G53 PolarHBondContact O-N 3.45Å |
| 52 | L | 76.4 | Confident | 88.5 | Confident | 124 Ų | 124 | 71.3 Ų | 71.3 | 65% | 0.649 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.9 | 171.6 | -61.7 | 174.3 | 0 | 0 | 0 | 113.4 | A48 M49 R50 Q54 | A48-L52 PolarHBondContact O-N 2.84Å; A48-L52 VanDerWaalsContact O-N 3.08Å; M49-L52 PolarHBondContact O-N 3.37Å; R50-L52 VanDerWaalsContact C-N 3.26Å; R50-L52 PolarHBondContact O-N 3.41Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 3.22Å |
| 53 | G | 81.7 | Confident | 88.4 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 68% | 0.68 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 4.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | M49 R50 S51 | M49-G53 PolarHBondContact O-N 3.02Å; R50-G53 PolarHBondContact O-N 3.43Å; R50-G53 VanDerWaalsContact O-N 3.14Å; S51-G53 PolarHBondContact O-N 3.45Å |
| 54 | Q | 84.1 | Confident | 88.1 | Confident | 114 Ų | 114 | 68.8 Ų | 68.8 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | trans | -79.6 | 159.7 | 170.5 | -56 | -59.7 | -45.1 | 0 | 0 | 110.1 | M49 R50 L52 | M49-Q54 HydrophobicContact CB-CB 4.33Å; M49-Q54 HydrophobicContact CE-CB 4.15Å; M49-Q54 HydrophobicContact CE-CG 4.06Å; M49-Q54 WeakPolarHBondContact O-CB 3.33Å; M49-Q54 PolarHBondContact O-N 3.37Å; R50-Q54 VanDerWaalsContact CA-O 3.22Å; R50-Q54 WeakPolarHBondContact CA-O 3.22Å; R50-Q54 WeakPolarHBondContact CG-O 3.46Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 3.22Å | ||
| 55 | N | 90.5 | Very high | 88 | Confident | 134 Ų | 134 | 68.1 Ų | 68.1 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | trans | -134.2 | 68.1 | 172.8 | -173.1 | 54.8 | 0 | 0 | 0 | 110.9 | ||||
| 56 | P | 89.9 | Confident | 87.9 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | trans | -69.7 | 143.7 | -177.3 | 31 | -36.1 | 0 | 0 | 0 | 111.1 | M49 E60 L61 M64 | M49-P56 HydrophobicContact CB-CG 3.64Å; M49-P56 HydrophobicContact CG-CG 4.21Å; P56-E60 WeakPolarHBondContact CA-OE2 3.33Å; P56-E60 HydrophobicContact CB-CB 4.3Å; P56-L61 HydrophobicContact CB-CD2 4.1Å; P56-L61 HydrophobicContact CB-CG 4.07Å; P56-L61 HydrophobicContact CG-CD1 4.33Å; P56-L61 HydrophobicContact CG-CD2 3.72Å; P56-L61 HydrophobicContact CG-CG 4.01Å; P56-M64 HydrophobicContact CB-CE 4.12Å | ||
| 57 | T | 93.1 | Very high | 87.7 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | trans | -70.3 | 161.7 | 168 | 64.5 | 0 | 0 | 0 | 0 | 110.7 | Q59 E60 L61 | T57-Q59 PolarHBondContact O-N 2.89Å; T57-E60 WeakPolarHBondContact CB-OE2 3.46Å; T57-E60 PolarHBondContact N-OE2 3.11Å; T57-E60 PolarHBondContact O-N 3.05Å; T57-E60 VanDerWaalsContact OG1-CG 3.32Å; T57-E60 WeakPolarHBondContact OG1-CG 3.36Å; T57-E60 PolarHBondContact OG1-N 3.38Å; T57-E60 PolarHBondContact OG1-OE2 3Å; T57-L61 WeakPolarHBondContact O-CG 3.21Å; T57-L61 PolarHBondContact O-N 2.63Å; T57-L61 VanDerWaalsContact O-N 3.11Å | ||
| 58 | E | 92.5 | Very high | 87.4 | Confident | 147 Ų | 147 | 76.5 Ų | 76.5 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.1 | -35.6 | 175.9 | -174.2 | 169.2 | -159.5 | 0 | 0 | 112.1 | L61 I62 | E58-L61 PolarHBondContact O-N 2.93Å; E58-I62 HydrophobicContact CG-CD1 4.06Å; E58-I62 VanDerWaalsContact O-CG1 3.28Å; E58-I62 WeakPolarHBondContact O-CG1 3.45Å; E58-I62 PolarHBondContact O-N 2.74Å |
| 59 | Q | 92.7 | Very high | 87.5 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.7 | -176 | 59.1 | 36.5 | 0 | 0 | 111.9 | T57 L61 I62 E63 | T57-Q59 PolarHBondContact O-N 2.89Å; Q59-L61 VanDerWaalsContact C-N 3.3Å; Q59-L61 PolarHBondContact O-N 3.39Å; Q59-I62 PolarHBondContact O-N 3.39Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.35Å; Q59-E63 PolarHBondContact NE2-OE1 3.38Å; Q59-E63 WeakPolarHBondContact O-CG 3.43Å; Q59-E63 PolarHBondContact O-N 2.92Å |
| 60 | E | 90 | Very high | 87.6 | Confident | 85 Ų | 85 | 77.5 Ų | 77.5 | 40% | 0.397 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.2 | -71.7 | 162.1 | 145.7 | 0 | 0 | 111.5 | P56 T57 E63 M64 | P56-E60 WeakPolarHBondContact CA-OE2 3.33Å; P56-E60 HydrophobicContact CB-CB 4.3Å; T57-E60 WeakPolarHBondContact CB-OE2 3.46Å; T57-E60 PolarHBondContact N-OE2 3.11Å; T57-E60 PolarHBondContact O-N 3.05Å; T57-E60 VanDerWaalsContact OG1-CG 3.32Å; T57-E60 WeakPolarHBondContact OG1-CG 3.36Å; T57-E60 PolarHBondContact OG1-N 3.38Å; T57-E60 PolarHBondContact OG1-OE2 3Å; E60-E63 PolarHBondContact O-N 2.76Å; E60-M64 HydrophobicContact CB-CE 4.04Å; E60-M64 VanDerWaalsContact O-CG 3.27Å; E60-M64 WeakPolarHBondContact O-CG 3.07Å; E60-M64 PolarHBondContact O-N 2.9Å |
| 61 | L | 90.5 | Very high | 87.6 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 176.4 | -68.8 | 168.6 | 0 | 0 | 0 | 112.5 | L45 M49 P56 T57 E58 Q59 E63 M64 I65 | L45-L61 HydrophobicContact CB-CD2 4.2Å; L45-L61 HydrophobicContact CD2-CD2 3.93Å; L45-L61 HydrophobicContact CG-CD2 3.74Å; M49-L61 HydrophobicContact CG-CD2 4.42Å; P56-L61 HydrophobicContact CB-CD2 4.1Å; P56-L61 HydrophobicContact CB-CG 4.07Å; P56-L61 HydrophobicContact CG-CD1 4.33Å; P56-L61 HydrophobicContact CG-CD2 3.72Å; P56-L61 HydrophobicContact CG-CG 4.01Å; T57-L61 WeakPolarHBondContact O-CG 3.21Å; T57-L61 PolarHBondContact O-N 2.63Å; T57-L61 VanDerWaalsContact O-N 3.11Å; E58-L61 PolarHBondContact O-N 2.93Å; Q59-L61 VanDerWaalsContact C-N 3.3Å; Q59-L61 PolarHBondContact O-N 3.39Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-M64 HydrophobicContact CD2-SD 4.46Å; L61-M64 PolarHBondContact O-N 3.4Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 PolarHBondContact O-N 2.84Å |
| 62 | I | 90.9 | Very high | 87.9 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 29% | 0.292 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 175.2 | -70.4 | 164.8 | 0 | 0 | 0 | 110.1 | T42 E58 Q59 I65 N66 | T42-I62 HydrophobicContact CG2-CG1 4.03Å; E58-I62 HydrophobicContact CG-CD1 4.06Å; E58-I62 VanDerWaalsContact O-CG1 3.28Å; E58-I62 WeakPolarHBondContact O-CG1 3.45Å; E58-I62 PolarHBondContact O-N 2.74Å; Q59-I62 PolarHBondContact O-N 3.39Å; I62-I65 PolarHBondContact O-N 3.48Å; I62-N66 WeakPolarHBondContact CG2-ND2 3.37Å; I62-N66 WeakPolarHBondContact O-CB 3.26Å; I62-N66 PolarHBondContact O-N 3Å; I62-N66 PolarHBondContact O-ND2 2.82Å; I62-N66 VanDerWaalsContact O-ND2 3.16Å |
| 63 | E | 89.4 | Confident | 88.5 | Confident | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.9 | -74.4 | 167.2 | -168.5 | 0 | 0 | 111.5 | Q59 E60 L61 I65 N66 E67 | Q59-E63 WeakPolarHBondContact CG-OE1 3.35Å; Q59-E63 PolarHBondContact NE2-OE1 3.38Å; Q59-E63 WeakPolarHBondContact O-CG 3.43Å; Q59-E63 PolarHBondContact O-N 2.92Å; E60-E63 PolarHBondContact O-N 2.76Å; L61-E63 VanDerWaalsContact C-N 3.33Å; E63-I65 VanDerWaalsContact C-N 3.3Å; E63-I65 PolarHBondContact O-N 3.28Å; E63-N66 PolarHBondContact O-N 2.76Å; E63-E67 WeakPolarHBondContact O-CG 3.34Å; E63-E67 PolarHBondContact O-N 3.44Å; E63-E67 VanDerWaalsContact O-N 3.1Å |
| 64 | M | 87 | Confident | 88.8 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.2 | -41.7 | 175.1 | -71.3 | 175.9 | -140.7 | 0 | 0 | 112.6 | L45 M49 P56 E60 L61 | L45-M64 HydrophobicContact CD2-CB 3.97Å; L45-M64 HydrophobicContact CD2-SD 4.3Å; M49-M64 HydrophobicContact CE-CE 4.13Å; M49-M64 HydrophobicContact CE-SD 4.18Å; P56-M64 HydrophobicContact CB-CE 4.12Å; E60-M64 HydrophobicContact CB-CE 4.04Å; E60-M64 VanDerWaalsContact O-CG 3.27Å; E60-M64 WeakPolarHBondContact O-CG 3.07Å; E60-M64 PolarHBondContact O-N 2.9Å; L61-M64 HydrophobicContact CD2-SD 4.46Å; L61-M64 PolarHBondContact O-N 3.4Å |
| 65 | I | 89.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.1 | -47.5 | 177.8 | -75 | 169.1 | 0 | 0 | 0 | 110.6 | T42 L45 L61 I62 E63 E67 V68 D69 I76 | T42-I65 HydrophobicContact CG2-CD1 3.36Å; L45-I65 HydrophobicContact CD2-CD1 4.16Å; L45-I65 HydrophobicContact CD2-CG1 3.86Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 PolarHBondContact O-N 2.84Å; I62-I65 PolarHBondContact O-N 3.48Å; E63-I65 VanDerWaalsContact C-N 3.3Å; E63-I65 PolarHBondContact O-N 3.28Å; I65-E67 PolarHBondContact O-N 2.76Å; I65-E67 VanDerWaalsContact O-N 3.1Å; I65-V68 VanDerWaalsContact O-CG2 3.32Å; I65-V68 WeakPolarHBondContact O-CG2 3.45Å; I65-V68 PolarHBondContact O-N 3.08Å; I65-D69 HydrophobicContact CG2-CB 3.99Å; I65-D69 WeakPolarHBondContact O-CB 3.35Å; I65-D69 PolarHBondContact O-N 3.18Å; I65-I76 HydrophobicContact CG1-CD1 3.87Å; I65-I76 HydrophobicContact CG1-CG1 3.89Å; I65-I76 HydrophobicContact CG2-CG1 4.35Å |
| 66 | N | 88.2 | Confident | 89.2 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.6 | -23.9 | -179.6 | -70.7 | -27.7 | 0 | 0 | 0 | 113.5 | I62 E63 V68 | I62-N66 WeakPolarHBondContact CG2-ND2 3.37Å; I62-N66 WeakPolarHBondContact O-CB 3.26Å; I62-N66 PolarHBondContact O-N 3Å; I62-N66 PolarHBondContact O-ND2 2.82Å; I62-N66 VanDerWaalsContact O-ND2 3.16Å; E63-N66 PolarHBondContact O-N 2.76Å; N66-V68 VanDerWaalsContact C-N 3.26Å; N66-V68 PolarHBondContact O-N 3.48Å |
| 67 | E | 86.2 | Confident | 89.4 | Confident | 141 Ų | 141 | 62 Ų | 62 | 66% | 0.659 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.8 | 176 | -76 | 179.3 | -175.7 | 0 | 0 | 113.5 | E63 I65 | E63-E67 WeakPolarHBondContact O-CG 3.34Å; E63-E67 PolarHBondContact O-N 3.44Å; E63-E67 VanDerWaalsContact O-N 3.1Å; I65-E67 PolarHBondContact O-N 2.76Å; I65-E67 VanDerWaalsContact O-N 3.1Å |
| 68 | V | 85.1 | Confident | 89.2 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -20.8 | -172.7 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | I65 N66 I70 I76 E80 M84 | I65-V68 VanDerWaalsContact O-CG2 3.32Å; I65-V68 WeakPolarHBondContact O-CG2 3.45Å; I65-V68 PolarHBondContact O-N 3.08Å; N66-V68 VanDerWaalsContact C-N 3.26Å; N66-V68 PolarHBondContact O-N 3.48Å; V68-I70 PolarHBondContact O-N 3.45Å; V68-I76 HydrophobicContact CG2-CD1 3.66Å; V68-I76 HydrophobicContact CG2-CG1 3.72Å; V68-I76 HydrophobicContact CG2-CG2 4.1Å; V68-E80 WeakPolarHBondContact O-CB 3.39Å; V68-M84 HydrophobicContact CB-CB 4.33Å; V68-M84 HydrophobicContact CG1-CB 3.69Å; V68-M84 HydrophobicContact CG1-CG 3.75Å; V68-M84 HydrophobicContact CG1-SD 4.16Å; V68-M84 HydrophobicContact CG2-SD 4.49Å |
| 69 | D | 89.3 | Confident | 89.1 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | trans | -70.2 | 90 | 174.3 | 178.5 | 12.2 | 0 | 0 | 0 | 109.9 | I65 G72 N73 G74 | I65-D69 HydrophobicContact CG2-CB 3.99Å; I65-D69 WeakPolarHBondContact O-CB 3.35Å; I65-D69 PolarHBondContact O-N 3.18Å; D69-G72 VanDerWaalsContact CG-CA 3.5Å; D69-G72 WeakPolarHBondContact OD1-CA 3.41Å; D69-G72 PolarHBondContact OD1-N 3.45Å; D69-G72 VanDerWaalsContact OD2-C 3.28Å; D69-G72 WeakPolarHBondContact OD2-CA 3.33Å; D69-N73 PolarHBondContact OD1-N 2.95Å; D69-N73 PolarHBondContact OD2-N 3.01Å; D69-G74 VanDerWaalsContact OD2-CA 3.24Å; D69-G74 WeakPolarHBondContact OD2-CA 3.49Å; D69-G74 PolarHBondContact OD2-N 3.43Å | ||
| 70 | I | 85.2 | Confident | 88.9 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -80.1 | -31.3 | -175.4 | -67.9 | 167.8 | 0 | 0 | 0 | 110.4 | T10 V68 E80 L83 | T10-I70 HydrophobicContact CG2-CB 4.39Å; T10-I70 HydrophobicContact CG2-CD1 3.44Å; T10-I70 VanDerWaalsContact CG2-CD1 3.44Å; T10-I70 HydrophobicContact CG2-CG1 4.45Å; V68-I70 PolarHBondContact O-N 3.45Å; I70-E80 PolarHBondContact N-OE1 2.81Å; I70-L83 HydrophobicContact CD1-CD2 3.28Å; I70-L83 HydrophobicContact CG1-CD2 4.3Å |
| 71 | D | 87.4 | Confident | 88.9 | Confident | 56 Ų | 56 | 45.3 Ų | 45.3 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -85 | -17 | 179.3 | 86.3 | -10.6 | 0 | 0 | 0 | 113.3 | N73 E80 | D71-N73 WeakPolarHBondContact OD1-CB 3.28Å; D71-N73 PolarHBondContact OD1-N 3.45Å; D71-N73 PolarHBondContact OD1-ND2 2.93Å; D71-N73 PolarHBondContact OD2-ND2 3.01Å; D71-E80 PolarHBondContact N-OE1 2.88Å |
| 72 | G | 86.3 | Confident | 88.7 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | trans | 78.8 | 24.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D69 G74 | D69-G72 VanDerWaalsContact CG-CA 3.5Å; D69-G72 WeakPolarHBondContact OD1-CA 3.41Å; D69-G72 PolarHBondContact OD1-N 3.45Å; D69-G72 VanDerWaalsContact OD2-C 3.28Å; D69-G72 WeakPolarHBondContact OD2-CA 3.33Å; G72-G74 VanDerWaalsContact C-N 3.3Å | ||
| 73 | N | 88.8 | Confident | 88.4 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -82 | -7.4 | -177.4 | 76.2 | 31 | 0 | 0 | 0 | 113.6 | D69 D71 Q75 E77 | D69-N73 PolarHBondContact OD1-N 2.95Å; D69-N73 PolarHBondContact OD2-N 3.01Å; D71-N73 WeakPolarHBondContact OD1-CB 3.28Å; D71-N73 PolarHBondContact OD1-N 3.45Å; D71-N73 PolarHBondContact OD1-ND2 2.93Å; D71-N73 PolarHBondContact OD2-ND2 3.01Å; N73-Q75 WeakPolarHBondContact OD1-CA 3.46Å; N73-Q75 WeakPolarHBondContact OD1-CB 3.32Å; N73-Q75 PolarHBondContact OD1-N 3.14Å; N73-Q75 PolarHBondContact OD1-O 2.91Å; N73-Q75 VanDerWaalsContact OD1-O 3.07Å; N73-E77 PolarHBondContact ND2-OE1 3.37Å |
| 74 | G | 89.2 | Confident | 88.2 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 81.5 | 13.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D69 G72 | D69-G74 VanDerWaalsContact OD2-CA 3.24Å; D69-G74 WeakPolarHBondContact OD2-CA 3.49Å; D69-G74 PolarHBondContact OD2-N 3.43Å; G72-G74 VanDerWaalsContact C-N 3.3Å |
| 75 | Q | 91.6 | Very high | 88 | Confident | 72 Ų | 72 | 39.5 Ų | 39.5 | 34% | 0.336 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -137.2 | 160.3 | 179.4 | -50.9 | -178.6 | 18.4 | 0 | 0 | 108.7 | T39 I40 N73 | T39-Q75 VanDerWaalsContact CB-OE1 3.32Å; T39-Q75 PolarHBondContact OG1-OE1 2.72Å; I40-Q75 WeakPolarHBondContact O-CA 3.42Å; N73-Q75 WeakPolarHBondContact OD1-CA 3.46Å; N73-Q75 WeakPolarHBondContact OD1-CB 3.32Å; N73-Q75 PolarHBondContact OD1-N 3.14Å; N73-Q75 PolarHBondContact OD1-O 2.91Å; N73-Q75 VanDerWaalsContact OD1-O 3.07Å |
| 76 | I | 91.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.7 | 176.9 | -48.4 | 174.8 | 0 | 0 | 0 | 108.3 | T39 I40 I65 V68 E80 F81 M84 | T39-I76 CarbonylContact C-O 3.54Å; T39-I76 WeakPolarHBondContact CA-O 3.36Å; I40-I76 HydrophobicContact CB-CB 4.17Å; I40-I76 PolarHBondContact N-O 2.81Å; I40-I76 PolarHBondContact O-N 3.4Å; I65-I76 HydrophobicContact CG1-CD1 3.87Å; I65-I76 HydrophobicContact CG1-CG1 3.89Å; I65-I76 HydrophobicContact CG2-CG1 4.35Å; V68-I76 HydrophobicContact CG2-CD1 3.66Å; V68-I76 HydrophobicContact CG2-CG1 3.72Å; V68-I76 HydrophobicContact CG2-CG2 4.1Å; I76-E80 HydrophobicContact CG2-CB 3.85Å; I76-F81 HydrophobicContact CG2-CB 3.8Å; I76-M84 HydrophobicContact CD1-SD 4.47Å |
| 77 | E | 92.2 | Very high | 87 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 159.4 | 170.8 | -58.1 | -173 | 155.4 | 0 | 0 | 110.8 | T39 N73 P79 E80 F81 | T39-E77 HydrophobicContact CG2-CG 4.15Å; N73-E77 PolarHBondContact ND2-OE1 3.37Å; E77-P79 VanDerWaalsContact C-CD 3.47Å; E77-P79 VanDerWaalsContact C-N 3.33Å; E77-E80 PolarHBondContact N-OE2 3.47Å; E77-E80 WeakPolarHBondContact O-CB 3.21Å; E77-E80 PolarHBondContact O-N 2.85Å; E77-F81 PolarHBondContact O-N 3.31Å |
| 78 | F | 90 | Very high | 86.5 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.1 | -42.6 | -180 | 178.4 | -107.1 | 0 | 0 | 0 | 114.3 | V22 F25 R26 F29 E80 F81 C82 | V22-F78 HydrophobicContact CG1-CE1 4.49Å; V22-F78 HydrophobicContact CG1-CZ 4.3Å; F25-F78 HydrophobicContact CB-CE2 4.34Å; R26-F78 HydrophobicContact CB-CE2 3.97Å; R26-F78 HydrophobicContact CB-CZ 4.12Å; F29-F78 HydrophobicContact CB-CD2 3.91Å; F29-F78 HydrophobicContact CB-CE2 4.24Å; F29-F78 HydrophobicContact CD1-CD2 4.31Å; F29-F78 HydrophobicContact CD2-CB 4.37Å; F29-F78 AromaticContact CD2-CD2 3.98Å; F29-F78 HydrophobicContact CD2-CD2 3.98Å; F29-F78 HydrophobicContact CE2-CB 4.19Å; F29-F78 AromaticContact CG-CD2 3.8Å; F29-F78 HydrophobicContact CG-CD2 3.8Å; F29-F78 HydrophobicContact CZ-CB 4.3Å; F78-E80 VanDerWaalsContact C-N 3.33Å; F78-E80 PolarHBondContact O-N 3.17Å; F78-F81 PolarHBondContact O-N 3.32Å; F78-C82 WeakPolarHBondContact CZ-SG 3.16Å; F78-C82 PolarHBondContact O-N 2.93Å; F78-C82 PolarHBondContact O-SG 3.4Å |
| 79 | P | 89.4 | Confident | 85.9 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 16% | 0.156 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 175.9 | -25.7 | 38.1 | 0 | 0 | 0 | 114.1 | T10 V14 E77 C82 L83 | T10-P79 HydrophobicContact CG2-CB 4.47Å; V14-P79 HydrophobicContact CG2-CB 3.86Å; V14-P79 HydrophobicContact CG2-CG 4.39Å; E77-P79 VanDerWaalsContact C-CD 3.47Å; E77-P79 VanDerWaalsContact C-N 3.33Å; P79-C82 WeakPolarHBondContact O-CB 3.31Å; P79-C82 PolarHBondContact O-N 3.46Å; P79-L83 PolarHBondContact O-N 2.71Å; P79-L83 VanDerWaalsContact O-N 3.13Å |
| 80 | E | 89.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.8 | -39 | 176.8 | -64.2 | 173.5 | 144 | 0 | 0 | 111.1 | T10 V68 I70 D71 I76 E77 F78 C82 L83 M84 | T10-E80 HydrophobicContact CG2-CG 4.07Å; V68-E80 WeakPolarHBondContact O-CB 3.39Å; I70-E80 PolarHBondContact N-OE1 2.81Å; D71-E80 PolarHBondContact N-OE1 2.88Å; I76-E80 HydrophobicContact CG2-CB 3.85Å; E77-E80 PolarHBondContact N-OE2 3.47Å; E77-E80 WeakPolarHBondContact O-CB 3.21Å; E77-E80 PolarHBondContact O-N 2.85Å; F78-E80 VanDerWaalsContact C-N 3.33Å; F78-E80 PolarHBondContact O-N 3.17Å; E80-C82 VanDerWaalsContact C-N 3.31Å; E80-C82 PolarHBondContact O-N 3.33Å; E80-L83 WeakPolarHBondContact O-CB 3.35Å; E80-L83 PolarHBondContact O-N 3.26Å; E80-L83 VanDerWaalsContact O-N 3.14Å; E80-M84 PolarHBondContact O-N 3.03Å |
| 81 | F | 88.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 171.9 | -174.8 | -94.5 | 0 | 0 | 0 | 111.7 | F25 A28 F29 F32 I40 I76 E77 F78 L83 M84 M85 | F25-F81 WeakPolarHBondContact O-CE1 3.31Å; A28-F81 HydrophobicContact CB-CE1 4.01Å; A28-F81 HydrophobicContact CB-CZ 4.06Å; F29-F81 HydrophobicContact CB-CD1 3.96Å; F29-F81 HydrophobicContact CB-CE1 4Å; F29-F81 HydrophobicContact CB-CG 4.48Å; F29-F81 HydrophobicContact CD2-CB 3.61Å; F29-F81 AromaticContact CD2-CD1 3.86Å; F29-F81 HydrophobicContact CD2-CD1 3.86Å; F29-F81 HydrophobicContact CD2-CD2 4Å; F29-F81 AromaticContact CD2-CG 3.56Å; F29-F81 HydrophobicContact CD2-CG 3.56Å; F29-F81 HydrophobicContact CE2-CB 3.98Å; F29-F81 HydrophobicContact CE2-CG 4.33Å; F29-F81 HydrophobicContact CG-CD1 4.43Å; F32-F81 AromaticContact CD2-CE2 3.73Å; F32-F81 HydrophobicContact CD2-CE2 3.73Å; F32-F81 AromaticContact CD2-CZ 3.8Å; F32-F81 HydrophobicContact CD2-CZ 3.8Å; F32-F81 AromaticContact CE2-CE2 3.88Å; F32-F81 HydrophobicContact CE2-CE2 3.88Å; F32-F81 AromaticContact CE2-CZ 3.78Å; F32-F81 HydrophobicContact CE2-CZ 3.78Å; F32-F81 HydrophobicContact CG-CE2 4.36Å; I40-F81 HydrophobicContact CD1-CD2 3.43Å; I40-F81 VanDerWaalsContact CD1-CD2 3.43Å; I40-F81 HydrophobicContact CD1-CE2 3.75Å; I40-F81 HydrophobicContact CD1-CG 4.23Å; I76-F81 HydrophobicContact CG2-CB 3.8Å; E77-F81 PolarHBondContact O-N 3.31Å; F78-F81 PolarHBondContact O-N 3.32Å; F81-L83 VanDerWaalsContact C-N 3.31Å; F81-L83 PolarHBondContact O-N 2.94Å; F81-M84 HydrophobicContact CD2-CE 3.41Å; F81-M84 VanDerWaalsContact CD2-CE 3.41Å; F81-M84 HydrophobicContact CE2-CE 3.38Å; F81-M84 HydrophobicContact CG-CE 4.3Å; F81-M84 HydrophobicContact CZ-CE 4.24Å; F81-M84 WeakPolarHBondContact O-CB 3.43Å; F81-M84 PolarHBondContact O-N 3.24Å; F81-M85 HydrophobicContact CD1-CG 3.85Å; F81-M85 HydrophobicContact CE1-CG 3.45Å; F81-M85 VanDerWaalsContact CE1-CG 3.45Å; F81-M85 HydrophobicContact CE1-SD 4.14Å; F81-M85 HydrophobicContact CZ-CG 3.84Å; F81-M85 HydrophobicContact CZ-SD 3.96Å; F81-M85 WeakPolarHBondContact O-CG 3.22Å; F81-M85 PolarHBondContact O-N 2.86Å |
| 82 | C | 88 | Confident | 83.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 173.5 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | V14 L17 F25 F78 P79 E80 K86 | V14-C82 HydrophobicContact CG2-CB 4.15Å; L17-C82 HydrophobicContact CD1-CB 3.9Å; F25-C82 HydrophobicContact CD2-CB 4.21Å; F78-C82 WeakPolarHBondContact CZ-SG 3.16Å; F78-C82 PolarHBondContact O-N 2.93Å; F78-C82 PolarHBondContact O-SG 3.4Å; P79-C82 WeakPolarHBondContact O-CB 3.31Å; P79-C82 PolarHBondContact O-N 3.46Å; E80-C82 VanDerWaalsContact C-N 3.31Å; E80-C82 PolarHBondContact O-N 3.33Å; C82-K86 VanDerWaalsContact O-CB 3.31Å; C82-K86 WeakPolarHBondContact O-CB 3.35Å; C82-K86 PolarHBondContact O-N 3.1Å |
| 83 | L | 83.7 | Confident | 83.1 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.3 | 173.3 | 66.5 | 0 | 0 | 0 | 111.6 | L13 I70 P79 E80 F81 K86 R87 | L13-L83 HydrophobicContact CD2-CB 3.51Å; L13-L83 HydrophobicContact CD2-CD1 3.36Å; L13-L83 HydrophobicContact CD2-CG 3.99Å; I70-L83 HydrophobicContact CD1-CD2 3.28Å; I70-L83 HydrophobicContact CG1-CD2 4.3Å; P79-L83 PolarHBondContact O-N 2.71Å; P79-L83 VanDerWaalsContact O-N 3.13Å; E80-L83 WeakPolarHBondContact O-CB 3.35Å; E80-L83 PolarHBondContact O-N 3.26Å; E80-L83 VanDerWaalsContact O-N 3.14Å; F81-L83 VanDerWaalsContact C-N 3.31Å; F81-L83 PolarHBondContact O-N 2.94Å; L83-K86 PolarHBondContact O-N 2.97Å; L83-R87 HydrophobicContact CD1-CG 4.27Å; L83-R87 WeakPolarHBondContact O-CG 3.48Å; L83-R87 PolarHBondContact O-N 2.98Å |
| 84 | M | 83.9 | Confident | 82.7 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 16% | 0.163 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.4 | -53.5 | 175.9 | -175.2 | -177.6 | 73.5 | 0 | 0 | 110.8 | V68 I76 E80 F81 K86 R87 M88 | V68-M84 HydrophobicContact CB-CB 4.33Å; V68-M84 HydrophobicContact CG1-CB 3.69Å; V68-M84 HydrophobicContact CG1-CG 3.75Å; V68-M84 HydrophobicContact CG1-SD 4.16Å; V68-M84 HydrophobicContact CG2-SD 4.49Å; I76-M84 HydrophobicContact CD1-SD 4.47Å; E80-M84 PolarHBondContact O-N 3.03Å; F81-M84 HydrophobicContact CD2-CE 3.41Å; F81-M84 VanDerWaalsContact CD2-CE 3.41Å; F81-M84 HydrophobicContact CE2-CE 3.38Å; F81-M84 HydrophobicContact CG-CE 4.3Å; F81-M84 HydrophobicContact CZ-CE 4.24Å; F81-M84 WeakPolarHBondContact O-CB 3.43Å; F81-M84 PolarHBondContact O-N 3.24Å; M84-K86 PolarHBondContact O-N 3.24Å; M84-R87 PolarHBondContact O-N 3.35Å; M84-M88 HydrophobicContact CG-SD 4.18Å; M84-M88 WeakPolarHBondContact O-CG 3.5Å; M84-M88 PolarHBondContact O-N 3.22Å |
| 85 | M | 83.5 | Confident | 82.2 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | -179.9 | -71.5 | -62 | -64.9 | 0 | 0 | 111.8 | F25 F81 R87 M88 M89 | F25-M85 HydrophobicContact CD1-CB 4.01Å; F25-M85 HydrophobicContact CD1-CE 4.22Å; F25-M85 HydrophobicContact CD1-CG 4.27Å; F25-M85 HydrophobicContact CD2-CB 4.16Å; F25-M85 HydrophobicContact CE1-CB 3.83Å; F25-M85 HydrophobicContact CE1-CE 4.2Å; F25-M85 HydrophobicContact CE2-CB 3.97Å; F25-M85 HydrophobicContact CG-CB 4.19Å; F25-M85 HydrophobicContact CG-CG 4.44Å; F25-M85 HydrophobicContact CZ-CB 3.81Å; F81-M85 HydrophobicContact CD1-CG 3.85Å; F81-M85 HydrophobicContact CE1-CG 3.45Å; F81-M85 VanDerWaalsContact CE1-CG 3.45Å; F81-M85 HydrophobicContact CE1-SD 4.14Å; F81-M85 HydrophobicContact CZ-CG 3.84Å; F81-M85 HydrophobicContact CZ-SD 3.96Å; F81-M85 WeakPolarHBondContact O-CG 3.22Å; F81-M85 PolarHBondContact O-N 2.86Å; M85-R87 VanDerWaalsContact C-N 3.33Å; M85-R87 PolarHBondContact O-N 2.99Å; M85-M88 PolarHBondContact O-N 2.82Å; M85-M89 WeakPolarHBondContact O-CB 3.38Å; M85-M89 VanDerWaalsContact O-CG 3.29Å; M85-M89 WeakPolarHBondContact O-CG 3.43Å; M85-M89 PolarHBondContact O-N 3.27Å |
| 86 | K | 79.6 | Confident | 81.6 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 27% | 0.274 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 177.9 | -167 | 175.1 | -168.6 | 165.6 | 0 | 112.5 | L13 L17 C82 L83 M84 K90 | L13-K86 HydrophobicContact CD1-CD 4.15Å; L13-K86 HydrophobicContact CG-CD 4.41Å; L17-K86 HydrophobicContact CD2-CD 4.05Å; C82-K86 VanDerWaalsContact O-CB 3.31Å; C82-K86 WeakPolarHBondContact O-CB 3.35Å; C82-K86 PolarHBondContact O-N 3.1Å; L83-K86 PolarHBondContact O-N 2.97Å; M84-K86 PolarHBondContact O-N 3.24Å; K86-K90 WeakPolarHBondContact O-CB 3.5Å; K86-K90 PolarHBondContact O-N 2.94Å |
| 87 | R | 77.6 | Confident | 81.3 | Confident | 128 Ų | 128 | 60.5 Ų | 60.5 | 48% | 0.483 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 173.9 | -76.4 | 179.2 | 178.6 | 171 | 3.6 | 110.9 | L83 M84 M85 M89 K90 E91 | L83-R87 HydrophobicContact CD1-CG 4.27Å; L83-R87 WeakPolarHBondContact O-CG 3.48Å; L83-R87 PolarHBondContact O-N 2.98Å; M84-R87 PolarHBondContact O-N 3.35Å; M85-R87 VanDerWaalsContact C-N 3.33Å; M85-R87 PolarHBondContact O-N 2.99Å; R87-M89 PolarHBondContact O-N 3.44Å; R87-K90 PolarHBondContact O-N 3.22Å; R87-E91 WeakPolarHBondContact O-CG 3.44Å; R87-E91 PolarHBondContact O-N 3.47Å |
| 88 | M | 75.1 | Confident | 81.2 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 179.2 | -69.8 | -176.2 | 73.8 | 0 | 0 | 112.4 | M84 M85 E91 T92 | M84-M88 HydrophobicContact CG-SD 4.18Å; M84-M88 WeakPolarHBondContact O-CG 3.5Å; M84-M88 PolarHBondContact O-N 3.22Å; M85-M88 PolarHBondContact O-N 2.82Å; M88-E91 PolarHBondContact O-N 3.25Å; M88-T92 WeakPolarHBondContact O-CB 3.41Å; M88-T92 PolarHBondContact O-N 2.94Å; M88-T92 PolarHBondContact O-OG1 3.46Å |
| 89 | M | 72.6 | Confident | 81 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.8 | -73 | 178.2 | 80.4 | 0 | 0 | 110.9 | F25 M85 R87 E91 T92 D93 | F25-M89 HydrophobicContact CE1-SD 3.43Å; F25-M89 WeakPolarHBondContact CE1-SD 3.29Å; F25-M89 HydrophobicContact CZ-SD 3.38Å; F25-M89 WeakPolarHBondContact CZ-SD 3.42Å; M85-M89 WeakPolarHBondContact O-CB 3.38Å; M85-M89 VanDerWaalsContact O-CG 3.29Å; M85-M89 WeakPolarHBondContact O-CG 3.43Å; M85-M89 PolarHBondContact O-N 3.27Å; R87-M89 PolarHBondContact O-N 3.44Å; M89-E91 VanDerWaalsContact C-N 3.29Å; M89-E91 PolarHBondContact O-N 2.94Å; M89-T92 PolarHBondContact O-N 2.87Å; M89-D93 WeakPolarHBondContact O-CB 3.3Å; M89-D93 PolarHBondContact O-N 3.3Å |
| 90 | K | 73 | Confident | 80.9 | Confident | 161 Ų | 161 | 66.8 Ų | 66.8 | 70% | 0.7 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.4 | -38.3 | 176.7 | -173.7 | 179.7 | 179.1 | -179.2 | 0 | 112.7 | K86 R87 S94 | K86-K90 WeakPolarHBondContact O-CB 3.5Å; K86-K90 PolarHBondContact O-N 2.94Å; R87-K90 PolarHBondContact O-N 3.22Å; K90-S94 VanDerWaalsContact O-CB 3.29Å; K90-S94 WeakPolarHBondContact O-CB 3.27Å; K90-S94 PolarHBondContact O-N 3.48Å |
| 91 | E | 73.2 | Confident | 80.8 | Confident | 133 Ų | 133 | 67.2 Ų | 67.2 | 62% | 0.621 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.9 | -42.7 | 175.6 | -74.2 | 179 | 170.3 | 0 | 0 | 111.8 | R87 M88 M89 S94 E95 | R87-E91 WeakPolarHBondContact O-CG 3.44Å; R87-E91 PolarHBondContact O-N 3.47Å; M88-E91 PolarHBondContact O-N 3.25Å; M89-E91 VanDerWaalsContact C-N 3.29Å; M89-E91 PolarHBondContact O-N 2.94Å; E91-S94 WeakPolarHBondContact O-CB 3.29Å; E91-S94 PolarHBondContact O-N 2.77Å; E91-E95 WeakPolarHBondContact O-CG 3.35Å; E91-E95 PolarHBondContact O-N 3.22Å |
| 92 | T | 66.3 | Low | 80.9 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 55% | 0.546 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111 | M88 M89 S94 E95 M96 | M88-T92 WeakPolarHBondContact O-CB 3.41Å; M88-T92 PolarHBondContact O-N 2.94Å; M88-T92 PolarHBondContact O-OG1 3.46Å; M89-T92 PolarHBondContact O-N 2.87Å; T92-S94 VanDerWaalsContact C-N 3.33Å; T92-S94 PolarHBondContact O-N 3.18Å; T92-E95 PolarHBondContact O-N 2.91Å; T92-M96 VanDerWaalsContact O-CB 3.22Å; T92-M96 WeakPolarHBondContact O-CB 3.2Å; T92-M96 PolarHBondContact O-N 2.81Å |
| 93 | D | 78 | Confident | 80.8 | Confident | 75 Ų | 75 | 79.8 Ų | 79.8 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.4 | -70.1 | -22.6 | 0 | 0 | 0 | 110.6 | M89 M96 I97 | M89-D93 WeakPolarHBondContact O-CB 3.3Å; M89-D93 PolarHBondContact O-N 3.3Å; D93-M96 PolarHBondContact O-N 2.92Å; D93-I97 VanDerWaalsContact O-CB 3.28Å; D93-I97 WeakPolarHBondContact O-CB 3.46Å; D93-I97 WeakPolarHBondContact O-CD1 3.44Å; D93-I97 WeakPolarHBondContact O-CG1 3.47Å; D93-I97 PolarHBondContact O-N 3.38Å |
| 94 | S | 79.7 | Confident | 81 | Confident | 39 Ų | 39 | 79.7 Ų | 79.7 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 177.1 | -176 | 0 | 0 | 0 | 0 | 112.3 | K90 E91 T92 I97 R98 | K90-S94 VanDerWaalsContact O-CB 3.29Å; K90-S94 WeakPolarHBondContact O-CB 3.27Å; K90-S94 PolarHBondContact O-N 3.48Å; E91-S94 WeakPolarHBondContact O-CB 3.29Å; E91-S94 PolarHBondContact O-N 2.77Å; T92-S94 VanDerWaalsContact C-N 3.33Å; T92-S94 PolarHBondContact O-N 3.18Å; S94-I97 PolarHBondContact O-N 2.87Å; S94-R98 WeakPolarHBondContact O-CG 3.38Å; S94-R98 PolarHBondContact O-N 3.03Å |
| 95 | E | 79.9 | Confident | 81.3 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 175.5 | -75.2 | -81.7 | 100.7 | 0 | 0 | 111.2 | E91 T92 I97 R98 E99 | E91-E95 WeakPolarHBondContact O-CG 3.35Å; E91-E95 PolarHBondContact O-N 3.22Å; T92-E95 PolarHBondContact O-N 2.91Å; E95-I97 VanDerWaalsContact C-N 3.35Å; E95-I97 PolarHBondContact O-N 3.37Å; E95-R98 WeakPolarHBondContact O-CB 3.45Å; E95-R98 PolarHBondContact O-N 2.93Å; E95-R98 IonicContact OE1-NH1 2.93Å; E95-R98 PolarHBondContact OE1-NH1 3.36Å; E95-E99 WeakPolarHBondContact O-CG 3.37Å; E95-E99 PolarHBondContact O-N 3.31Å |
| 96 | M | 78.6 | Confident | 81.3 | Confident | 97 Ų | 97 | 83.8 Ų | 83.8 | 48% | 0.478 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.2 | -177.8 | -172.4 | 67.2 | 0 | 0 | 111.6 | T92 D93 R98 E99 A100 | T92-M96 VanDerWaalsContact O-CB 3.22Å; T92-M96 WeakPolarHBondContact O-CB 3.2Å; T92-M96 PolarHBondContact O-N 2.81Å; D93-M96 PolarHBondContact O-N 2.92Å; M96-R98 VanDerWaalsContact C-N 3.34Å; M96-E99 PolarHBondContact O-N 2.94Å; M96-A100 WeakPolarHBondContact O-CB 3.24Å; M96-A100 PolarHBondContact O-N 3.26Å |
| 97 | I | 85.1 | Confident | 81.9 | Confident | 6 Ų | 6 | 86 Ų | 86 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177.2 | -70.3 | 164.5 | 0 | 0 | 0 | 110.3 | D93 S94 E95 A100 F101 F153 V154 M157 T158 | D93-I97 VanDerWaalsContact O-CB 3.28Å; D93-I97 WeakPolarHBondContact O-CB 3.46Å; D93-I97 WeakPolarHBondContact O-CD1 3.44Å; D93-I97 WeakPolarHBondContact O-CG1 3.47Å; D93-I97 PolarHBondContact O-N 3.38Å; S94-I97 PolarHBondContact O-N 2.87Å; E95-I97 VanDerWaalsContact C-N 3.35Å; E95-I97 PolarHBondContact O-N 3.37Å; I97-A100 PolarHBondContact O-N 2.93Å; I97-F101 WeakPolarHBondContact O-CB 3.45Å; I97-F101 PolarHBondContact O-N 2.99Å; I97-F153 HydrophobicContact CG2-CD1 3.82Å; I97-F153 HydrophobicContact CG2-CE1 4.06Å; I97-V154 HydrophobicContact CG2-CG2 3.77Å; I97-M157 HydrophobicContact CD1-CB 3.85Å; I97-M157 HydrophobicContact CG1-CB 3.79Å; I97-M157 HydrophobicContact CG1-CG 4.27Å; I97-M157 HydrophobicContact CG2-CB 4.44Å; I97-M157 HydrophobicContact CG2-CG 4.44Å; I97-T158 HydrophobicContact CD1-CG2 3.57Å |
| 98 | R | 88.4 | Confident | 82.5 | Confident | 101 Ų | 101 | 82.7 Ų | 82.7 | 38% | 0.381 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 173.7 | -73.6 | 173.5 | -172.3 | 153.4 | 1.6 | 112.5 | S94 E95 M96 F101 R102 Y150 | S94-R98 WeakPolarHBondContact O-CG 3.38Å; S94-R98 PolarHBondContact O-N 3.03Å; E95-R98 WeakPolarHBondContact O-CB 3.45Å; E95-R98 PolarHBondContact O-N 2.93Å; E95-R98 IonicContact OE1-NH1 2.93Å; E95-R98 PolarHBondContact OE1-NH1 3.36Å; M96-R98 VanDerWaalsContact C-N 3.34Å; R98-F101 PolarHBondContact O-N 3.41Å; R98-R102 WeakPolarHBondContact O-CG 3.48Å; R98-R102 PolarHBondContact O-N 3.46Å; R98-Y150 HydrophobicContact CB-CE2 4.45Å; R98-Y150 HydrophobicContact CG-CE2 3.63Å; R98-Y150 WeakPolarHBondContact CG-OH 3.12Å; R98-Y150 PolarHBondContact NE-OH 3.06Å |
| 99 | E | 86.9 | Confident | 83.4 | Confident | 120 Ų | 120 | 82 Ų | 82 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 177.3 | -73.9 | -171.4 | 164.4 | 0 | 0 | 110.7 | E95 M96 F101 R102 V103 | E95-E99 WeakPolarHBondContact O-CG 3.37Å; E95-E99 PolarHBondContact O-N 3.31Å; M96-E99 PolarHBondContact O-N 2.94Å; E99-F101 VanDerWaalsContact C-N 3.35Å; E99-F101 PolarHBondContact O-N 3.37Å; E99-R102 PolarHBondContact O-N 2.86Å; E99-V103 VanDerWaalsContact O-CG2 3.24Å; E99-V103 WeakPolarHBondContact O-CG2 3.33Å; E99-V103 PolarHBondContact O-N 2.96Å |
| 100 | A | 86.1 | Confident | 84.4 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 21% | 0.207 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.1 | -50.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | M96 I97 R102 V103 F104 F153 | M96-A100 WeakPolarHBondContact O-CB 3.24Å; M96-A100 PolarHBondContact O-N 3.26Å; I97-A100 PolarHBondContact O-N 2.93Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 3.41Å; A100-V103 WeakPolarHBondContact O-CA 3.43Å; A100-V103 WeakPolarHBondContact O-CB 3.14Å; A100-V103 PolarHBondContact O-N 3.12Å; A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 PolarHBondContact O-N 3.2Å; A100-F153 HydrophobicContact CB-CE1 4.05Å; A100-F153 HydrophobicContact CB-CZ 4.11Å |
| 101 | F | 89.6 | Confident | 85.4 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 6% | 0.057 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -54.9 | -47.2 | 177.7 | -171.7 | -92.2 | 0 | 0 | 0 | 112.1 | I97 R98 E99 V103 F104 D105 G110 V112 Y150 F153 | I97-F101 WeakPolarHBondContact O-CB 3.45Å; I97-F101 PolarHBondContact O-N 2.99Å; R98-F101 PolarHBondContact O-N 3.41Å; E99-F101 VanDerWaalsContact C-N 3.35Å; E99-F101 PolarHBondContact O-N 3.37Å; F101-V103 PolarHBondContact O-N 3.35Å; F101-F104 PolarHBondContact O-N 2.99Å; F101-F104 VanDerWaalsContact O-N 3.1Å; F101-D105 HydrophobicContact CD1-CB 4.19Å; F101-D105 HydrophobicContact CE1-CB 3.86Å; F101-D105 HydrophobicContact CZ-CB 4.4Å; F101-D105 WeakPolarHBondContact O-CB 3.25Å; F101-D105 PolarHBondContact O-N 3.35Å; F101-G110 WeakPolarHBondContact CZ-O 3.43Å; F101-V112 HydrophobicContact CD2-CG2 3.94Å; F101-V112 HydrophobicContact CE2-CG2 3.6Å; F101-V112 HydrophobicContact CZ-CG2 4Å; F101-Y150 HydrophobicContact CB-CD2 4.24Å; F101-Y150 HydrophobicContact CD1-CD2 4.19Å; F101-Y150 HydrophobicContact CD2-CD2 4.18Å; F101-Y150 AromaticContact CG-CD2 3.93Å; F101-Y150 HydrophobicContact CG-CD2 3.93Å; F101-F153 HydrophobicContact CB-CD1 4.05Å; F101-F153 HydrophobicContact CB-CE1 4.1Å; F101-F153 HydrophobicContact CD2-CB 3.62Å; F101-F153 AromaticContact CD2-CD1 3.84Å; F101-F153 HydrophobicContact CD2-CD1 3.84Å; F101-F153 AromaticContact CD2-CD2 3.94Å; F101-F153 HydrophobicContact CD2-CD2 3.94Å; F101-F153 HydrophobicContact CD2-CE1 4.48Å; F101-F153 AromaticContact CD2-CG 3.54Å; F101-F153 HydrophobicContact CD2-CG 3.54Å; F101-F153 HydrophobicContact CE2-CB 3.93Å; F101-F153 HydrophobicContact CE2-CG 4.25Å; F101-F153 HydrophobicContact CG-CD1 4.46Å |
| 102 | R | 89.4 | Confident | 86.2 | Confident | 176 Ų | 176 | 68 Ų | 68 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.5 | -24.6 | 176.6 | -72.3 | 179.2 | -169.2 | 165.8 | 7.2 | 114.1 | R98 E99 A100 | R98-R102 WeakPolarHBondContact O-CG 3.48Å; R98-R102 PolarHBondContact O-N 3.46Å; E99-R102 PolarHBondContact O-N 2.86Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 3.41Å |
| 103 | V | 87.2 | Confident | 87.4 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -79.7 | -32.1 | 176.7 | 177 | 0 | 0 | 0 | 0 | 110.6 | E99 A100 F101 F120 | E99-V103 VanDerWaalsContact O-CG2 3.24Å; E99-V103 WeakPolarHBondContact O-CG2 3.33Å; E99-V103 PolarHBondContact O-N 2.96Å; A100-V103 WeakPolarHBondContact O-CA 3.43Å; A100-V103 WeakPolarHBondContact O-CB 3.14Å; A100-V103 PolarHBondContact O-N 3.12Å; F101-V103 PolarHBondContact O-N 3.35Å; V103-F120 HydrophobicContact CB-CE2 4.31Å; V103-F120 HydrophobicContact CG1-CD2 3.71Å; V103-F120 HydrophobicContact CG1-CE2 3.21Å; V103-F120 HydrophobicContact CG1-CZ 4.08Å |
| 104 | F | 86.8 | Confident | 87.7 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.088 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -75.5 | -52.5 | 172.8 | -76.4 | -78.2 | 0 | 0 | 0 | 112.4 | A100 F101 K106 V112 E116 F117 F120 F153 | A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 PolarHBondContact O-N 3.2Å; F101-F104 PolarHBondContact O-N 2.99Å; F101-F104 VanDerWaalsContact O-N 3.1Å; F104-K106 PolarHBondContact O-N 3.11Å; F104-V112 HydrophobicContact CB-CB 4.38Å; F104-V112 HydrophobicContact CB-CG1 3.84Å; F104-V112 HydrophobicContact CB-CG2 3.56Å; F104-V112 HydrophobicContact CD1-CG1 4.4Å; F104-V112 HydrophobicContact CG-CG1 4.42Å; F104-E116 WeakPolarHBondContact O-CB 3.48Å; F104-F117 AromaticContact CD1-CD2 3.63Å; F104-F117 HydrophobicContact CD1-CD2 3.63Å; F104-F117 HydrophobicContact CD1-CE2 4.24Å; F104-F117 HydrophobicContact CD1-CG 4.4Å; F104-F117 AromaticContact CE1-CD2 3.24Å; F104-F117 HydrophobicContact CE1-CD2 3.24Å; F104-F117 AromaticContact CE1-CE2 3.47Å; F104-F117 HydrophobicContact CE1-CE2 3.47Å; F104-F117 VanDerWaalsContact CE1-CE2 3.47Å; F104-F117 HydrophobicContact CE1-CG 4.06Å; F104-F117 HydrophobicContact CE1-CZ 4.45Å; F104-F117 HydrophobicContact CG-CD2 4.5Å; F104-F117 AromaticContact CZ-CD2 3.93Å; F104-F117 HydrophobicContact CZ-CD2 3.93Å; F104-F117 AromaticContact CZ-CE2 3.67Å; F104-F117 HydrophobicContact CZ-CE2 3.67Å; F104-F120 HydrophobicContact CD1-CB 3.59Å; F104-F120 AromaticContact CD1-CD1 3.69Å; F104-F120 HydrophobicContact CD1-CD1 3.69Å; F104-F120 HydrophobicContact CD1-CE1 4.37Å; F104-F120 AromaticContact CD1-CG 3.67Å; F104-F120 HydrophobicContact CD1-CG 3.67Å; F104-F120 HydrophobicContact CD2-CE1 4.47Å; F104-F120 HydrophobicContact CE1-CB 3.6Å; F104-F120 AromaticContact CE1-CD1 2.97Å; F104-F120 HydrophobicContact CE1-CD1 2.97Å; F104-F120 AromaticContact CE1-CE1 3.61Å; F104-F120 HydrophobicContact CE1-CE1 3.61Å; F104-F120 AromaticContact CE1-CG 3.45Å; F104-F120 HydrophobicContact CE1-CG 3.45Å; F104-F120 VanDerWaalsContact CE1-CG 3.45Å; F104-F120 AromaticContact CE2-CD1 3.93Å; F104-F120 HydrophobicContact CE2-CD1 3.93Å; F104-F120 AromaticContact CE2-CE1 3.66Å; F104-F120 HydrophobicContact CE2-CE1 3.66Å; F104-F120 HydrophobicContact CE2-CZ 4.23Å; F104-F120 HydrophobicContact CG-CD1 4.45Å; F104-F120 HydrophobicContact CG-CG 4.39Å; F104-F120 AromaticContact CZ-CD1 3.1Å; F104-F120 HydrophobicContact CZ-CD1 3.1Å; F104-F120 AromaticContact CZ-CE1 3.18Å; F104-F120 HydrophobicContact CZ-CE1 3.18Å; F104-F120 AromaticContact CZ-CG 3.95Å; F104-F120 HydrophobicContact CZ-CG 3.95Å; F104-F120 HydrophobicContact CZ-CZ 4.15Å; F104-F153 AromaticContact CD2-CE2 3.56Å; F104-F153 HydrophobicContact CD2-CE2 3.56Å; F104-F153 AromaticContact CD2-CZ 3.5Å; F104-F153 HydrophobicContact CD2-CZ 3.5Å; F104-F153 AromaticContact CE2-CE2 3.81Å; F104-F153 HydrophobicContact CE2-CE2 3.81Å; F104-F153 AromaticContact CE2-CZ 3.62Å; F104-F153 HydrophobicContact CE2-CZ 3.62Å; F104-F153 HydrophobicContact CG-CE2 4.22Å |
| 105 | D | 90.5 | Very high | 88.1 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 9% | 0.086 | 36% | 0.36 | C | S | . | . | trans | -71.3 | 86.3 | 176.9 | 175.2 | 11.4 | 0 | 0 | 0 | 109.8 | F101 D107 G108 N109 G110 V112 | F101-D105 HydrophobicContact CD1-CB 4.19Å; F101-D105 HydrophobicContact CE1-CB 3.86Å; F101-D105 HydrophobicContact CZ-CB 4.4Å; F101-D105 WeakPolarHBondContact O-CB 3.25Å; F101-D105 PolarHBondContact O-N 3.35Å; D105-D107 VanDerWaalsContact OD1-OD1 3.1Å; D105-G108 WeakPolarHBondContact OD1-CA 3.49Å; D105-G108 PolarHBondContact OD1-N 3.42Å; D105-G108 WeakPolarHBondContact OD2-CA 3.31Å; D105-N109 PolarHBondContact OD1-N 2.97Å; D105-N109 PolarHBondContact OD2-N 3.3Å; D105-G110 WeakPolarHBondContact OD2-CA 3.22Å; D105-G110 PolarHBondContact OD2-N 3.25Å; D105-V112 HydrophobicContact CB-CG2 4.15Å | ||
| 106 | K | 84.7 | Confident | 88.5 | Confident | 145 Ų | 145 | 65.2 Ų | 65.2 | 63% | 0.63 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -79.9 | -30.8 | -169 | -175.6 | -179.8 | 179.3 | 180 | 0 | 111.6 | F104 E116 | F104-K106 PolarHBondContact O-N 3.11Å; K106-E116 PolarHBondContact N-OE1 3.41Å |
| 107 | D | 90.6 | Very high | 88.8 | Confident | 109 Ų | 109 | 61 Ų | 61 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -87.5 | -14.1 | 178.2 | 75.2 | 2.3 | 0 | 0 | 0 | 112.9 | D105 N109 | D105-D107 VanDerWaalsContact OD1-OD1 3.1Å; D107-N109 VanDerWaalsContact CG-ND2 3.34Å; D107-N109 WeakPolarHBondContact OD1-CB 3.5Å; D107-N109 PolarHBondContact OD1-N 3.36Å; D107-N109 PolarHBondContact OD1-ND2 3.27Å; D107-N109 PolarHBondContact OD1-OD1 3.33Å; D107-N109 PolarHBondContact OD2-ND2 3.37Å |
| 108 | G | 90.7 | Very high | 88.6 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 62% | 0.619 | 34% | 0.338 | S | S | * | . | trans | 77.3 | 25 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | D105 G110 | D105-G108 WeakPolarHBondContact OD1-CA 3.49Å; D105-G108 PolarHBondContact OD1-N 3.42Å; D105-G108 WeakPolarHBondContact OD2-CA 3.31Å; G108-G110 VanDerWaalsContact C-N 3.29Å | ||
| 109 | N | 93.7 | Very high | 88.4 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -81.7 | -8.3 | -177 | 70.2 | 17.9 | 0 | 0 | 0 | 113.2 | D105 D107 V111 | D105-N109 PolarHBondContact OD1-N 2.97Å; D105-N109 PolarHBondContact OD2-N 3.3Å; D107-N109 VanDerWaalsContact CG-ND2 3.34Å; D107-N109 WeakPolarHBondContact OD1-CB 3.5Å; D107-N109 PolarHBondContact OD1-N 3.36Å; D107-N109 PolarHBondContact OD1-ND2 3.27Å; D107-N109 PolarHBondContact OD1-OD1 3.33Å; D107-N109 PolarHBondContact OD2-ND2 3.37Å; N109-V111 WeakPolarHBondContact OD1-CG2 3.23Å; N109-V111 PolarHBondContact OD1-N 3.31Å; N109-V111 PolarHBondContact OD1-O 3.19Å |
| 110 | G | 93.6 | Very high | 88 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 91.7 | 7.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F101 D105 G108 | F101-G110 WeakPolarHBondContact CZ-O 3.43Å; D105-G110 WeakPolarHBondContact OD2-CA 3.22Å; D105-G110 PolarHBondContact OD2-N 3.25Å; G108-G110 VanDerWaalsContact C-N 3.29Å |
| 111 | V | 93.8 | Very high | 87.6 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 152.2 | 174.4 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | N109 Q147 I148 D149 | N109-V111 WeakPolarHBondContact OD1-CG2 3.23Å; N109-V111 PolarHBondContact OD1-N 3.31Å; N109-V111 PolarHBondContact OD1-O 3.19Å; V111-Q147 HydrophobicContact CB-CB 4.18Å; V111-Q147 HydrophobicContact CG2-CB 4.46Å; V111-Q147 VanDerWaalsContact CG2-OE1 3.29Å; V111-I148 CarbonylContact C-O 3.57Å; V111-I148 WeakPolarHBondContact CA-O 3.5Å; V111-D149 HydrophobicContact CG1-CB 4.26Å |
| 112 | V | 91 | Very high | 87 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 115.7 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | F101 F104 D105 E116 F117 I148 | F101-V112 HydrophobicContact CD2-CG2 3.94Å; F101-V112 HydrophobicContact CE2-CG2 3.6Å; F101-V112 HydrophobicContact CZ-CG2 4Å; F104-V112 HydrophobicContact CB-CB 4.38Å; F104-V112 HydrophobicContact CB-CG1 3.84Å; F104-V112 HydrophobicContact CB-CG2 3.56Å; F104-V112 HydrophobicContact CD1-CG1 4.4Å; F104-V112 HydrophobicContact CG-CG1 4.42Å; D105-V112 HydrophobicContact CB-CG2 4.15Å; V112-E116 HydrophobicContact CG1-CB 4.32Å; V112-F117 HydrophobicContact CG1-CB 4.05Å; V112-F117 HydrophobicContact CG1-CD2 4.33Å; V112-I148 HydrophobicContact CB-CB 4.33Å; V112-I148 PolarHBondContact N-O 2.74Å; V112-I148 PolarHBondContact O-N 3.42Å |
| 113 | T | 90.2 | Very high | 86.2 | Confident | 35 Ų | 35 | 62 Ų | 62 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 159.1 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | Q115 E116 F117 Q147 | T113-Q115 PolarHBondContact O-N 2.93Å; T113-Q115 VanDerWaalsContact O-N 3.17Å; T113-E116 PolarHBondContact N-OE2 2.91Å; T113-E116 PolarHBondContact O-N 2.74Å; T113-E116 WeakPolarHBondContact OG1-CG 3.44Å; T113-E116 PolarHBondContact OG1-N 3.38Å; T113-E116 PolarHBondContact OG1-OE2 3.33Å; T113-F117 PolarHBondContact O-N 2.85Å; T113-Q147 HydrophobicContact CG2-CG 4.22Å |
| 114 | A | 86.2 | Confident | 85.4 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 24% | 0.24 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.7 | -36.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R118 I137 | A114-R118 WeakPolarHBondContact O-CB 3.14Å; A114-R118 PolarHBondContact O-N 3.04Å; A114-I137 HydrophobicContact CB-CD1 3.22Å |
| 115 | Q | 87.2 | Confident | 84.6 | Confident | 158 Ų | 158 | 65.1 Ų | 65.1 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 178.2 | -173.2 | 170.7 | 33.7 | 0 | 0 | 112.2 | T113 Y119 | T113-Q115 PolarHBondContact O-N 2.93Å; T113-Q115 VanDerWaalsContact O-N 3.17Å; Q115-Y119 VanDerWaalsContact O-CB 3.29Å; Q115-Y119 WeakPolarHBondContact O-CB 3.38Å; Q115-Y119 PolarHBondContact O-N 3.45Å |
| 116 | E | 88 | Confident | 83.8 | Confident | 24 Ų | 24 | 68 Ų | 68 | 11% | 0.112 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.4 | -45.8 | 176.9 | -76.5 | 168.2 | 131.7 | 0 | 0 | 112 | F104 K106 V112 T113 R118 Y119 F120 | F104-E116 WeakPolarHBondContact O-CB 3.48Å; K106-E116 PolarHBondContact N-OE1 3.41Å; V112-E116 HydrophobicContact CG1-CB 4.32Å; T113-E116 PolarHBondContact N-OE2 2.91Å; T113-E116 PolarHBondContact O-N 2.74Å; T113-E116 WeakPolarHBondContact OG1-CG 3.44Å; T113-E116 PolarHBondContact OG1-N 3.38Å; T113-E116 PolarHBondContact OG1-OE2 3.33Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.91Å; E116-Y119 PolarHBondContact O-N 3.46Å; E116-F120 WeakPolarHBondContact O-CB 3.38Å; E116-F120 PolarHBondContact O-N 3.44Å |
| 117 | F | 85 | Confident | 83.1 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 176.4 | -165.2 | -101.5 | 0 | 0 | 0 | 111.3 | F104 V112 T113 F120 M121 V133 M136 M156 | F104-F117 AromaticContact CD1-CD2 3.63Å; F104-F117 HydrophobicContact CD1-CD2 3.63Å; F104-F117 HydrophobicContact CD1-CE2 4.24Å; F104-F117 HydrophobicContact CD1-CG 4.4Å; F104-F117 AromaticContact CE1-CD2 3.24Å; F104-F117 HydrophobicContact CE1-CD2 3.24Å; F104-F117 AromaticContact CE1-CE2 3.47Å; F104-F117 HydrophobicContact CE1-CE2 3.47Å; F104-F117 VanDerWaalsContact CE1-CE2 3.47Å; F104-F117 HydrophobicContact CE1-CG 4.06Å; F104-F117 HydrophobicContact CE1-CZ 4.45Å; F104-F117 HydrophobicContact CG-CD2 4.5Å; F104-F117 AromaticContact CZ-CD2 3.93Å; F104-F117 HydrophobicContact CZ-CD2 3.93Å; F104-F117 AromaticContact CZ-CE2 3.67Å; F104-F117 HydrophobicContact CZ-CE2 3.67Å; V112-F117 HydrophobicContact CG1-CB 4.05Å; V112-F117 HydrophobicContact CG1-CD2 4.33Å; T113-F117 PolarHBondContact O-N 2.85Å; F117-F120 PolarHBondContact O-N 3.25Å; F117-M121 HydrophobicContact CD1-CE 3.26Å; F117-M121 HydrophobicContact CD1-CG 4.4Å; F117-M121 HydrophobicContact CD1-SD 3.9Å; F117-M121 HydrophobicContact CE1-CE 3.2Å; F117-M121 HydrophobicContact CE1-CG 4.21Å; F117-M121 HydrophobicContact CE1-SD 3.32Å; F117-M121 WeakPolarHBondContact CE1-SD 3.37Å; F117-M121 HydrophobicContact CG-CE 4.4Å; F117-M121 HydrophobicContact CZ-CE 4.29Å; F117-M121 HydrophobicContact CZ-SD 3.87Å; F117-M121 WeakPolarHBondContact O-CG 3.38Å; F117-M121 PolarHBondContact O-N 2.87Å; F117-V133 HydrophobicContact CD1-CG1 3.89Å; F117-M136 HydrophobicContact CE1-CE 3.98Å; F117-M136 HydrophobicContact CE1-SD 4.14Å; F117-M136 HydrophobicContact CZ-CE 3.85Å; F117-M156 HydrophobicContact CE2-CE 4.32Å |
| 118 | R | 81.5 | Confident | 82.4 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 174.7 | -178.7 | 175.5 | 177.4 | -104.9 | 13.6 | 112.5 | A114 E116 F120 M121 M122 E130 V133 | A114-R118 WeakPolarHBondContact O-CB 3.14Å; A114-R118 PolarHBondContact O-N 3.04Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.91Å; R118-F120 VanDerWaalsContact C-N 3.26Å; R118-F120 PolarHBondContact O-N 3.45Å; R118-M121 PolarHBondContact O-N 2.88Å; R118-M122 HydrophobicContact CG-SD 4.22Å; R118-M122 WeakPolarHBondContact O-CG 3.42Å; R118-M122 PolarHBondContact O-N 3.14Å; R118-E130 IonicContact CZ-OE1 3.86Å; R118-E130 IonicContact NH2-OE1 3.36Å; R118-E130 PolarHBondContact NH2-OE1 3.33Å; R118-V133 HydrophobicContact CB-CG1 4.41Å; R118-V133 HydrophobicContact CB-CG2 4.42Å |
| 119 | Y | 83.2 | Confident | 82 | Confident | 113 Ų | 113 | 67.4 Ų | 67.4 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56 | -45.7 | 178.4 | 177.7 | -88 | 0 | 0 | 0 | 110.5 | Q115 E116 H123 | Q115-Y119 VanDerWaalsContact O-CB 3.29Å; Q115-Y119 WeakPolarHBondContact O-CB 3.38Å; Q115-Y119 PolarHBondContact O-N 3.45Å; E116-Y119 PolarHBondContact O-N 3.46Å; Y119-H123 AromaticContact CD1-CE1 3.81Å; Y119-H123 AromaticContact CD1-ND1 3.67Å; Y119-H123 AromaticContact CD2-CE1 3.72Å; Y119-H123 AromaticContact CE1-CE1 3.28Å; Y119-H123 WeakPolarHBondContact CE1-CE1 3.4Å; Y119-H123 AromaticContact CE1-ND1 3.49Å; Y119-H123 WeakPolarHBondContact CE1-ND1 3.27Å; Y119-H123 AromaticContact CE1-NE2 3.75Å; Y119-H123 AromaticContact CE2-CE1 3.23Å; Y119-H123 WeakPolarHBondContact CE2-CE1 3.32Å; Y119-H123 AromaticContact CE2-NE2 3.99Å; Y119-H123 AromaticContact CG-ND1 3.97Å; Y119-H123 AromaticContact CZ-CE1 2.96Å; Y119-H123 AromaticContact CZ-ND1 3.68Å; Y119-H123 AromaticContact CZ-NE2 3.38Å; Y119-H123 PolarHBondContact O-N 2.69Å; Y119-H123 VanDerWaalsContact O-N 3.16Å; Y119-H123 PolarHBondContact O-ND1 3.22Å; Y119-H123 PolarHBondContact OH-CE1 2.95Å; Y119-H123 VanDerWaalsContact OH-CE1 3.26Å; Y119-H123 PolarHBondContact OH-NE2 3.04Å; Y119-H123 VanDerWaalsContact OH-NE2 3.14Å |
| 120 | F | 79.9 | Confident | 81.3 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 178.9 | -179.7 | -98.5 | 0 | 0 | 0 | 113 | V103 F104 E116 F117 R118 M122 H123 M124 | V103-F120 HydrophobicContact CB-CE2 4.31Å; V103-F120 HydrophobicContact CG1-CD2 3.71Å; V103-F120 HydrophobicContact CG1-CE2 3.21Å; V103-F120 HydrophobicContact CG1-CZ 4.08Å; F104-F120 HydrophobicContact CD1-CB 3.59Å; F104-F120 AromaticContact CD1-CD1 3.69Å; F104-F120 HydrophobicContact CD1-CD1 3.69Å; F104-F120 HydrophobicContact CD1-CE1 4.37Å; F104-F120 AromaticContact CD1-CG 3.67Å; F104-F120 HydrophobicContact CD1-CG 3.67Å; F104-F120 HydrophobicContact CD2-CE1 4.47Å; F104-F120 HydrophobicContact CE1-CB 3.6Å; F104-F120 AromaticContact CE1-CD1 2.97Å; F104-F120 HydrophobicContact CE1-CD1 2.97Å; F104-F120 AromaticContact CE1-CE1 3.61Å; F104-F120 HydrophobicContact CE1-CE1 3.61Å; F104-F120 AromaticContact CE1-CG 3.45Å; F104-F120 HydrophobicContact CE1-CG 3.45Å; F104-F120 VanDerWaalsContact CE1-CG 3.45Å; F104-F120 AromaticContact CE2-CD1 3.93Å; F104-F120 HydrophobicContact CE2-CD1 3.93Å; F104-F120 AromaticContact CE2-CE1 3.66Å; F104-F120 HydrophobicContact CE2-CE1 3.66Å; F104-F120 HydrophobicContact CE2-CZ 4.23Å; F104-F120 HydrophobicContact CG-CD1 4.45Å; F104-F120 HydrophobicContact CG-CG 4.39Å; F104-F120 AromaticContact CZ-CD1 3.1Å; F104-F120 HydrophobicContact CZ-CD1 3.1Å; F104-F120 AromaticContact CZ-CE1 3.18Å; F104-F120 HydrophobicContact CZ-CE1 3.18Å; F104-F120 AromaticContact CZ-CG 3.95Å; F104-F120 HydrophobicContact CZ-CG 3.95Å; F104-F120 HydrophobicContact CZ-CZ 4.15Å; E116-F120 WeakPolarHBondContact O-CB 3.38Å; E116-F120 PolarHBondContact O-N 3.44Å; F117-F120 PolarHBondContact O-N 3.25Å; R118-F120 VanDerWaalsContact C-N 3.26Å; R118-F120 PolarHBondContact O-N 3.45Å; F120-M122 VanDerWaalsContact C-N 3.32Å; F120-M122 PolarHBondContact O-N 3.13Å; F120-H123 WeakPolarHBondContact O-CA 3.39Å; F120-H123 WeakPolarHBondContact O-CB 3.34Å; F120-H123 PolarHBondContact O-N 2.88Å; F120-M124 HydrophobicContact CD1-CG 4.39Å; F120-M124 HydrophobicContact CD1-SD 4.1Å; F120-M124 HydrophobicContact CE1-CE 3.45Å; F120-M124 VanDerWaalsContact CE1-CE 3.45Å; F120-M124 HydrophobicContact CE1-CG 4.04Å; F120-M124 HydrophobicContact CE1-SD 3.33Å; F120-M124 WeakPolarHBondContact CE1-SD 3.4Å; F120-M124 HydrophobicContact CE2-CE 4Å; F120-M124 HydrophobicContact CZ-CE 3.11Å; F120-M124 HydrophobicContact CZ-CG 4.17Å; F120-M124 HydrophobicContact CZ-SD 3.67Å; F120-M124 PolarHBondContact O-N 3.1Å |
| 121 | M | 77 | Confident | 81 | Confident | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.039 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | -179.6 | -69.1 | -165.2 | -64.6 | 0 | 0 | 112.6 | F117 R118 H123 M124 G125 M126 F128 V133 | F117-M121 HydrophobicContact CD1-CE 3.26Å; F117-M121 HydrophobicContact CD1-CG 4.4Å; F117-M121 HydrophobicContact CD1-SD 3.9Å; F117-M121 HydrophobicContact CE1-CE 3.2Å; F117-M121 HydrophobicContact CE1-CG 4.21Å; F117-M121 HydrophobicContact CE1-SD 3.32Å; F117-M121 WeakPolarHBondContact CE1-SD 3.37Å; F117-M121 HydrophobicContact CG-CE 4.4Å; F117-M121 HydrophobicContact CZ-CE 4.29Å; F117-M121 HydrophobicContact CZ-SD 3.87Å; F117-M121 WeakPolarHBondContact O-CG 3.38Å; F117-M121 PolarHBondContact O-N 2.87Å; R118-M121 PolarHBondContact O-N 2.88Å; M121-H123 VanDerWaalsContact C-N 3.28Å; M121-H123 PolarHBondContact O-N 3.33Å; M121-M124 PolarHBondContact O-N 3.06Å; M121-G125 PolarHBondContact O-N 3.48Å; M121-M126 CarbonylContact C-O 3.55Å; M121-M126 HydrophobicContact CB-CE 4.35Å; M121-M126 HydrophobicContact CG-CE 4.12Å; M121-M126 PolarHBondContact O-N 3.1Å; M121-M126 VanDerWaalsContact O-N 3.13Å; M121-M126 VanDerWaalsContact O-O 3.13Å; M121-F128 HydrophobicContact CB-CD2 3.94Å; M121-F128 HydrophobicContact CB-CE2 4.27Å; M121-F128 HydrophobicContact CE-CB 4.15Å; M121-F128 HydrophobicContact CE-CD2 3.67Å; M121-F128 HydrophobicContact CE-CE2 4.25Å; M121-F128 HydrophobicContact CE-CG 4Å; M121-F128 HydrophobicContact CG-CD2 4.24Å; M121-F128 HydrophobicContact CG-CE2 4.27Å; M121-F128 HydrophobicContact SD-CD2 3.35Å; M121-F128 WeakPolarHBondContact SD-CD2 3.14Å; M121-F128 HydrophobicContact SD-CE2 3.33Å; M121-F128 WeakPolarHBondContact SD-CE2 3.32Å; M121-F128 HydrophobicContact SD-CG 4.15Å; M121-F128 HydrophobicContact SD-CZ 4.14Å; M121-V133 HydrophobicContact CE-CB 4.29Å; M121-V133 HydrophobicContact CE-CG1 4.29Å; M121-V133 HydrophobicContact CE-CG2 3.31Å |
| 122 | M | 76.6 | Confident | 80.5 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 172.3 | -70.3 | -179.3 | 74 | 0 | 0 | 112.1 | R118 F120 M124 G125 | R118-M122 HydrophobicContact CG-SD 4.22Å; R118-M122 WeakPolarHBondContact O-CG 3.42Å; R118-M122 PolarHBondContact O-N 3.14Å; F120-M122 VanDerWaalsContact C-N 3.32Å; F120-M122 PolarHBondContact O-N 3.13Å; M122-M124 VanDerWaalsContact C-N 3.34Å; M122-G125 PolarHBondContact O-N 2.98Å |
| 123 | H | 72.2 | Confident | 80.1 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.3 | -29.4 | 176.5 | -79.2 | 69.6 | 0 | 0 | 0 | 113 | Y119 F120 M121 G125 | Y119-H123 AromaticContact CD1-CE1 3.81Å; Y119-H123 AromaticContact CD1-ND1 3.67Å; Y119-H123 AromaticContact CD2-CE1 3.72Å; Y119-H123 AromaticContact CE1-CE1 3.28Å; Y119-H123 WeakPolarHBondContact CE1-CE1 3.4Å; Y119-H123 AromaticContact CE1-ND1 3.49Å; Y119-H123 WeakPolarHBondContact CE1-ND1 3.27Å; Y119-H123 AromaticContact CE1-NE2 3.75Å; Y119-H123 AromaticContact CE2-CE1 3.23Å; Y119-H123 WeakPolarHBondContact CE2-CE1 3.32Å; Y119-H123 AromaticContact CE2-NE2 3.99Å; Y119-H123 AromaticContact CG-ND1 3.97Å; Y119-H123 AromaticContact CZ-CE1 2.96Å; Y119-H123 AromaticContact CZ-ND1 3.68Å; Y119-H123 AromaticContact CZ-NE2 3.38Å; Y119-H123 PolarHBondContact O-N 2.69Å; Y119-H123 VanDerWaalsContact O-N 3.16Å; Y119-H123 PolarHBondContact O-ND1 3.22Å; Y119-H123 PolarHBondContact OH-CE1 2.95Å; Y119-H123 VanDerWaalsContact OH-CE1 3.26Å; Y119-H123 PolarHBondContact OH-NE2 3.04Å; Y119-H123 VanDerWaalsContact OH-NE2 3.14Å; F120-H123 WeakPolarHBondContact O-CA 3.39Å; F120-H123 WeakPolarHBondContact O-CB 3.34Å; F120-H123 PolarHBondContact O-N 2.88Å; M121-H123 VanDerWaalsContact C-N 3.28Å; M121-H123 PolarHBondContact O-N 3.33Å; H123-G125 PolarHBondContact O-N 3.49Å |
| 124 | M | 71.4 | Confident | 79.9 | Confident | 115 Ų | 115 | 78 Ų | 78 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -2.4 | 172.1 | -73.4 | -165.8 | 152 | 0 | 0 | 113.6 | F120 M121 M122 M126 | F120-M124 HydrophobicContact CD1-CG 4.39Å; F120-M124 HydrophobicContact CD1-SD 4.1Å; F120-M124 HydrophobicContact CE1-CE 3.45Å; F120-M124 VanDerWaalsContact CE1-CE 3.45Å; F120-M124 HydrophobicContact CE1-CG 4.04Å; F120-M124 HydrophobicContact CE1-SD 3.33Å; F120-M124 WeakPolarHBondContact CE1-SD 3.4Å; F120-M124 HydrophobicContact CE2-CE 4Å; F120-M124 HydrophobicContact CZ-CE 3.11Å; F120-M124 HydrophobicContact CZ-CG 4.17Å; F120-M124 HydrophobicContact CZ-SD 3.67Å; F120-M124 PolarHBondContact O-N 3.1Å; M121-M124 PolarHBondContact O-N 3.06Å; M122-M124 VanDerWaalsContact C-N 3.34Å; M124-M126 HydrophobicContact CB-CE 3.85Å; M124-M126 HydrophobicContact CB-CG 4.43Å; M124-M126 HydrophobicContact CG-CE 4.42Å; M124-M126 PolarHBondContact O-N 3.1Å; M124-M126 HydrophobicContact SD-CE 3.79Å |
| 125 | G | 69 | Low | 79.9 | Confident | 58 Ų | 58 | 82.5 Ų | 82.5 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 8.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M121 M122 H123 | M121-G125 PolarHBondContact O-N 3.48Å; M122-G125 PolarHBondContact O-N 2.98Å; H123-G125 PolarHBondContact O-N 3.49Å |
| 126 | M | 74.5 | Confident | 79.7 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 38% | 0.384 | 39% | 0.387 | S | S | . | . | trans | -84.1 | 131.1 | 171.8 | -59.3 | -174.3 | -72.5 | 0 | 0 | 108.9 | M121 M124 F128 | M121-M126 CarbonylContact C-O 3.55Å; M121-M126 HydrophobicContact CB-CE 4.35Å; M121-M126 HydrophobicContact CG-CE 4.12Å; M121-M126 PolarHBondContact O-N 3.1Å; M121-M126 VanDerWaalsContact O-N 3.13Å; M121-M126 VanDerWaalsContact O-O 3.13Å; M124-M126 HydrophobicContact CB-CE 3.85Å; M124-M126 HydrophobicContact CB-CG 4.43Å; M124-M126 HydrophobicContact CG-CE 4.42Å; M124-M126 PolarHBondContact O-N 3.1Å; M124-M126 HydrophobicContact SD-CE 3.79Å; M126-F128 HydrophobicContact CB-CD2 3.93Å; M126-F128 HydrophobicContact CB-CE2 3.5Å; M126-F128 HydrophobicContact CB-CZ 4.48Å; M126-F128 HydrophobicContact CE-CE2 4.28Å; M126-F128 HydrophobicContact CG-CE2 4.3Å; M126-F128 HydrophobicContact SD-CE2 3.97Å; M126-F128 HydrophobicContact SD-CZ 4.41Å | ||
| 127 | Q | 70.6 | Confident | 79.6 | Confident | 152 Ų | 152 | 77.3 Ų | 77.3 | 71% | 0.71 | 38% | 0.383 | S | S | * | . | trans | -104 | 102.5 | 177.1 | -64.4 | -66.1 | -37 | 0 | 0 | 107.7 | ||||
| 128 | F | 75.2 | Confident | 79.7 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 31% | 0.311 | 42% | 0.416 | S | S | . | . | trans | -105.3 | 143.3 | 168.5 | -66.5 | -84.8 | 0 | 0 | 0 | 109.1 | M121 M126 E132 V133 | M121-F128 HydrophobicContact CB-CD2 3.94Å; M121-F128 HydrophobicContact CB-CE2 4.27Å; M121-F128 HydrophobicContact CE-CB 4.15Å; M121-F128 HydrophobicContact CE-CD2 3.67Å; M121-F128 HydrophobicContact CE-CE2 4.25Å; M121-F128 HydrophobicContact CE-CG 4Å; M121-F128 HydrophobicContact CG-CD2 4.24Å; M121-F128 HydrophobicContact CG-CE2 4.27Å; M121-F128 HydrophobicContact SD-CD2 3.35Å; M121-F128 WeakPolarHBondContact SD-CD2 3.14Å; M121-F128 HydrophobicContact SD-CE2 3.33Å; M121-F128 WeakPolarHBondContact SD-CE2 3.32Å; M121-F128 HydrophobicContact SD-CG 4.15Å; M121-F128 HydrophobicContact SD-CZ 4.14Å; M126-F128 HydrophobicContact CB-CD2 3.93Å; M126-F128 HydrophobicContact CB-CE2 3.5Å; M126-F128 HydrophobicContact CB-CZ 4.48Å; M126-F128 HydrophobicContact CE-CE2 4.28Å; M126-F128 HydrophobicContact CG-CE2 4.3Å; M126-F128 HydrophobicContact SD-CE2 3.97Å; M126-F128 HydrophobicContact SD-CZ 4.41Å; F128-E132 WeakPolarHBondContact CA-OE2 3.46Å; F128-E132 HydrophobicContact CB-CB 4.3Å; F128-E132 HydrophobicContact CD1-CB 4.12Å; F128-V133 HydrophobicContact CB-CG2 3.83Å | ||
| 129 | T | 81.7 | Confident | 79.9 | Confident | 77 Ų | 77 | 87.7 Ų | 87.7 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | trans | -71 | 161 | 167.9 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | D131 E132 V133 | T129-D131 VanDerWaalsContact C-N 3.26Å; T129-D131 PolarHBondContact O-N 2.93Å; T129-E132 PolarHBondContact N-OE2 3.45Å; T129-E132 PolarHBondContact O-N 3.16Å; T129-E132 VanDerWaalsContact OG1-CG 3.24Å; T129-E132 WeakPolarHBondContact OG1-CG 3.41Å; T129-E132 PolarHBondContact OG1-N 2.85Å; T129-E132 PolarHBondContact OG1-OE2 3.25Å; T129-V133 WeakPolarHBondContact O-CG2 3.32Å; T129-V133 PolarHBondContact O-N 3.23Å | ||
| 130 | E | 79.9 | Confident | 80.1 | Confident | 120 Ų | 120 | 83.3 Ų | 83.3 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.9 | -43.1 | 176 | -66.9 | -179 | 172.7 | 0 | 0 | 110.5 | R118 E132 V133 D134 | R118-E130 IonicContact CZ-OE1 3.86Å; R118-E130 IonicContact NH2-OE1 3.36Å; R118-E130 PolarHBondContact NH2-OE1 3.33Å; E130-E132 PolarHBondContact O-N 2.93Å; E130-V133 PolarHBondContact O-N 2.9Å; E130-D134 PolarHBondContact O-N 3.33Å |
| 131 | D | 85.7 | Confident | 80.6 | Confident | 117 Ų | 117 | 83 Ų | 83 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.3 | -41.7 | 177.4 | -58.6 | -28.5 | 0 | 0 | 0 | 112.6 | T129 V133 D134 E135 | T129-D131 VanDerWaalsContact C-N 3.26Å; T129-D131 PolarHBondContact O-N 2.93Å; D131-V133 PolarHBondContact O-N 3.25Å; D131-D134 PolarHBondContact O-N 3.01Å; D131-E135 WeakPolarHBondContact O-CB 3.46Å; D131-E135 VanDerWaalsContact O-CG 3.31Å; D131-E135 WeakPolarHBondContact O-CG 3.4Å; D131-E135 PolarHBondContact O-N 2.93Å |
| 132 | E | 84.6 | Confident | 81.1 | Confident | 81 Ų | 81 | 87.5 Ų | 87.5 | 38% | 0.379 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 177.8 | -76.5 | 165.5 | 148.6 | 0 | 0 | 112.6 | F128 T129 E130 M136 | F128-E132 WeakPolarHBondContact CA-OE2 3.46Å; F128-E132 HydrophobicContact CB-CB 4.3Å; F128-E132 HydrophobicContact CD1-CB 4.12Å; T129-E132 PolarHBondContact N-OE2 3.45Å; T129-E132 PolarHBondContact O-N 3.16Å; T129-E132 VanDerWaalsContact OG1-CG 3.24Å; T129-E132 WeakPolarHBondContact OG1-CG 3.41Å; T129-E132 PolarHBondContact OG1-N 2.85Å; T129-E132 PolarHBondContact OG1-OE2 3.25Å; E130-E132 PolarHBondContact O-N 2.93Å; E132-M136 VanDerWaalsContact O-CG 3.3Å; E132-M136 WeakPolarHBondContact O-CG 3.32Å; E132-M136 PolarHBondContact O-N 3.15Å; E132-M136 VanDerWaalsContact O-N 3.13Å |
| 133 | V | 83.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 88.5 Ų | 88.5 | 1% | 0.012 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 176.5 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | F117 R118 M121 F128 T129 E130 D131 E135 M136 I137 | F117-V133 HydrophobicContact CD1-CG1 3.89Å; R118-V133 HydrophobicContact CB-CG1 4.41Å; R118-V133 HydrophobicContact CB-CG2 4.42Å; M121-V133 HydrophobicContact CE-CB 4.29Å; M121-V133 HydrophobicContact CE-CG1 4.29Å; M121-V133 HydrophobicContact CE-CG2 3.31Å; F128-V133 HydrophobicContact CB-CG2 3.83Å; T129-V133 WeakPolarHBondContact O-CG2 3.32Å; T129-V133 PolarHBondContact O-N 3.23Å; E130-V133 PolarHBondContact O-N 2.9Å; D131-V133 PolarHBondContact O-N 3.25Å; V133-E135 VanDerWaalsContact C-N 3.33Å; V133-E135 PolarHBondContact O-N 3.4Å; V133-M136 PolarHBondContact O-N 3.19Å; V133-I137 HydrophobicContact CG1-CD1 3.75Å; V133-I137 HydrophobicContact CG1-CG1 4.48Å; V133-I137 WeakPolarHBondContact O-CG1 3.39Å; V133-I137 PolarHBondContact O-N 3.28Å |
| 134 | D | 85 | Confident | 82.6 | Confident | 86 Ų | 86 | 85.4 Ų | 85.4 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 179.8 | -69.6 | -17.5 | 0 | 0 | 0 | 111.1 | E130 D131 I137 Q138 | E130-D134 PolarHBondContact O-N 3.33Å; D131-D134 PolarHBondContact O-N 3.01Å; D134-I137 PolarHBondContact O-N 3.37Å; D134-Q138 WeakPolarHBondContact O-CB 3.39Å; D134-Q138 PolarHBondContact O-N 3.45Å |
| 135 | E | 86.7 | Confident | 83.6 | Confident | 123 Ų | 123 | 83.8 Ų | 83.8 | 58% | 0.575 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.4 | -46.7 | 172.5 | -77.8 | 179 | -176.7 | 0 | 0 | 111.6 | D131 V133 I137 Q138 E139 | D131-E135 WeakPolarHBondContact O-CB 3.46Å; D131-E135 VanDerWaalsContact O-CG 3.31Å; D131-E135 WeakPolarHBondContact O-CG 3.4Å; D131-E135 PolarHBondContact O-N 2.93Å; V133-E135 VanDerWaalsContact C-N 3.33Å; V133-E135 PolarHBondContact O-N 3.4Å; E135-I137 VanDerWaalsContact C-N 3.32Å; E135-I137 PolarHBondContact O-N 3.41Å; E135-Q138 PolarHBondContact O-N 3.09Å; E135-E139 WeakPolarHBondContact O-CG 3.13Å; E135-E139 PolarHBondContact O-N 3.39Å |
| 136 | M | 82.5 | Confident | 84.5 | Confident | 65 Ų | 65 | 83 Ų | 83 | 32% | 0.32 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 178.1 | -73.8 | -177.8 | 71.9 | 0 | 0 | 112.8 | F117 E132 V133 V140 | F117-M136 HydrophobicContact CE1-CE 3.98Å; F117-M136 HydrophobicContact CE1-SD 4.14Å; F117-M136 HydrophobicContact CZ-CE 3.85Å; E132-M136 VanDerWaalsContact O-CG 3.3Å; E132-M136 WeakPolarHBondContact O-CG 3.32Å; E132-M136 PolarHBondContact O-N 3.15Å; E132-M136 VanDerWaalsContact O-N 3.13Å; V133-M136 PolarHBondContact O-N 3.19Å; M136-V140 WeakPolarHBondContact O-CG2 3.5Å |
| 137 | I | 85.7 | Confident | 85.4 | Confident | 8 Ų | 8 | 81.9 Ų | 81.9 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.3 | -45.4 | 178.4 | -67.8 | 165.2 | 0 | 0 | 0 | 109.9 | A114 V133 D134 E135 E139 V140 D141 I148 | A114-I137 HydrophobicContact CB-CD1 3.22Å; V133-I137 HydrophobicContact CG1-CD1 3.75Å; V133-I137 HydrophobicContact CG1-CG1 4.48Å; V133-I137 WeakPolarHBondContact O-CG1 3.39Å; V133-I137 PolarHBondContact O-N 3.28Å; D134-I137 PolarHBondContact O-N 3.37Å; E135-I137 VanDerWaalsContact C-N 3.32Å; E135-I137 PolarHBondContact O-N 3.41Å; I137-E139 PolarHBondContact O-N 2.82Å; I137-V140 PolarHBondContact O-N 3.06Å; I137-D141 HydrophobicContact CG2-CB 4.28Å; I137-D141 WeakPolarHBondContact O-CB 3.49Å; I137-D141 PolarHBondContact O-N 2.93Å; I137-I148 HydrophobicContact CB-CD1 4.49Å; I137-I148 HydrophobicContact CG1-CD1 3.94Å; I137-I148 HydrophobicContact CG1-CG1 4.46Å; I137-I148 HydrophobicContact CG2-CD1 4.49Å; I137-I148 HydrophobicContact CG2-CG1 4.17Å |
| 138 | Q | 87.9 | Confident | 86.4 | Confident | 154 Ų | 154 | 74.7 Ų | 74.7 | 72% | 0.72 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.9 | -29.1 | 179.7 | -171 | 176.1 | 18.2 | 0 | 0 | 113.1 | D134 E135 V140 | D134-Q138 WeakPolarHBondContact O-CB 3.39Å; D134-Q138 PolarHBondContact O-N 3.45Å; E135-Q138 PolarHBondContact O-N 3.09Å; Q138-V140 PolarHBondContact O-N 2.95Å |
| 139 | E | 86.1 | Confident | 87.3 | Confident | 168 Ų | 168 | 73.7 Ų | 73.7 | 79% | 0.785 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.4 | -24.4 | 174.6 | -76.1 | -174.2 | 170.3 | 0 | 0 | 113.4 | E135 I137 | E135-E139 WeakPolarHBondContact O-CG 3.13Å; E135-E139 PolarHBondContact O-N 3.39Å; I137-E139 PolarHBondContact O-N 2.82Å |
| 140 | V | 85.9 | Confident | 87.7 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 12% | 0.121 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -111.3 | -32.4 | -168.6 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | M136 I137 Q138 V142 I148 E152 M156 | M136-V140 WeakPolarHBondContact O-CG2 3.5Å; I137-V140 PolarHBondContact O-N 3.06Å; Q138-V140 PolarHBondContact O-N 2.95Å; V140-V142 WeakPolarHBondContact O-CG2 3.42Å; V140-V142 PolarHBondContact O-N 2.93Å; V140-I148 HydrophobicContact CG1-CD1 4.33Å; V140-I148 HydrophobicContact CG1-CG1 4.43Å; V140-I148 HydrophobicContact CG1-CG2 3.98Å; V140-E152 HydrophobicContact CG1-CB 3.93Å; V140-E152 VanDerWaalsContact CG1-O 3.26Å; V140-E152 WeakPolarHBondContact CG1-O 3.39Å; V140-M156 HydrophobicContact CB-CB 4.44Å; V140-M156 HydrophobicContact CG1-CB 3.76Å; V140-M156 HydrophobicContact CG1-CG 4.47Å; V140-M156 HydrophobicContact CG2-CB 3.74Å; V140-M156 HydrophobicContact CG2-CG 3.73Å; V140-M156 HydrophobicContact CG2-SD 4.08Å |
| 141 | D | 90.1 | Very high | 88.3 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | trans | -66.7 | 93.8 | 175.3 | 176.9 | 9.1 | 0 | 0 | 0 | 109.9 | I137 G144 D145 G146 | I137-D141 HydrophobicContact CG2-CB 4.28Å; I137-D141 WeakPolarHBondContact O-CB 3.49Å; I137-D141 PolarHBondContact O-N 2.93Å; D141-G144 WeakPolarHBondContact OD1-CA 3.28Å; D141-G144 PolarHBondContact OD1-N 3Å; D141-G144 WeakPolarHBondContact OD2-CA 3.37Å; D141-D145 PolarHBondContact OD1-N 2.87Å; D141-D145 PolarHBondContact OD2-N 2.83Å; D141-G146 VanDerWaalsContact OD2-CA 3.3Å; D141-G146 WeakPolarHBondContact OD2-CA 3.41Å; D141-G146 PolarHBondContact OD2-N 3Å | ||
| 142 | V | 88.4 | Confident | 88.6 | Confident | 104 Ų | 104 | 69 Ų | 69 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -79.7 | -32.6 | -175.1 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | V140 E152 | V140-V142 WeakPolarHBondContact O-CG2 3.42Å; V140-V142 PolarHBondContact O-N 2.93Å; V142-E152 PolarHBondContact N-OE1 2.58Å |
| 143 | D | 91.5 | Very high | 88.7 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -90.4 | -15.9 | -177.9 | 82.9 | 2 | 0 | 0 | 0 | 114 | D145 E152 | D143-D145 WeakPolarHBondContact OD1-CB 3.41Å; D143-D145 PolarHBondContact OD1-N 2.81Å; D143-E152 PolarHBondContact N-OE1 3.07Å |
| 144 | G | 89.2 | Confident | 89 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | trans | 80.8 | 23.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D141 G146 | D141-G144 WeakPolarHBondContact OD1-CA 3.28Å; D141-G144 PolarHBondContact OD1-N 3Å; D141-G144 WeakPolarHBondContact OD2-CA 3.37Å; G144-G146 VanDerWaalsContact C-N 3.27Å | ||
| 145 | D | 91.8 | Very high | 89 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -80.6 | -7.4 | -179.8 | 93.1 | -23.9 | 0 | 0 | 0 | 113.8 | D141 D143 Q147 | D141-D145 PolarHBondContact OD1-N 2.87Å; D141-D145 PolarHBondContact OD2-N 2.83Å; D143-D145 WeakPolarHBondContact OD1-CB 3.41Å; D143-D145 PolarHBondContact OD1-N 2.81Å; D145-Q147 WeakPolarHBondContact OD1-CA 3.34Å; D145-Q147 VanDerWaalsContact OD1-CB 3.3Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.44Å; D145-Q147 PolarHBondContact OD1-N 3.31Å; D145-Q147 PolarHBondContact OD2-NE2 3.05Å |
| 146 | G | 89.2 | Confident | 88.8 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 82.5 | 13.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D141 G144 | D141-G146 VanDerWaalsContact OD2-CA 3.3Å; D141-G146 WeakPolarHBondContact OD2-CA 3.41Å; D141-G146 PolarHBondContact OD2-N 3Å; G144-G146 VanDerWaalsContact C-N 3.27Å |
| 147 | Q | 91.8 | Very high | 88.7 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 167 | 177.5 | -54.5 | 173.2 | 98 | 0 | 0 | 108.9 | V111 T113 D145 | V111-Q147 HydrophobicContact CB-CB 4.18Å; V111-Q147 HydrophobicContact CG2-CB 4.46Å; V111-Q147 VanDerWaalsContact CG2-OE1 3.29Å; T113-Q147 HydrophobicContact CG2-CG 4.22Å; D145-Q147 WeakPolarHBondContact OD1-CA 3.34Å; D145-Q147 VanDerWaalsContact OD1-CB 3.3Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.44Å; D145-Q147 PolarHBondContact OD1-N 3.31Å; D145-Q147 PolarHBondContact OD2-NE2 3.05Å |
| 148 | I | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 112.6 | 176.6 | -58.1 | 175.4 | 0 | 0 | 0 | 107.9 | V111 V112 I137 V140 E152 F153 | V111-I148 CarbonylContact C-O 3.57Å; V111-I148 WeakPolarHBondContact CA-O 3.5Å; V112-I148 HydrophobicContact CB-CB 4.33Å; V112-I148 PolarHBondContact N-O 2.74Å; V112-I148 PolarHBondContact O-N 3.42Å; I137-I148 HydrophobicContact CB-CD1 4.49Å; I137-I148 HydrophobicContact CG1-CD1 3.94Å; I137-I148 HydrophobicContact CG1-CG1 4.46Å; I137-I148 HydrophobicContact CG2-CD1 4.49Å; I137-I148 HydrophobicContact CG2-CG1 4.17Å; V140-I148 HydrophobicContact CG1-CD1 4.33Å; V140-I148 HydrophobicContact CG1-CG1 4.43Å; V140-I148 HydrophobicContact CG1-CG2 3.98Å; I148-E152 WeakPolarHBondContact CA-OE2 3.49Å; I148-E152 HydrophobicContact CG2-CB 3.75Å; I148-F153 HydrophobicContact CG2-CB 3.77Å; I148-F153 HydrophobicContact CG2-CD2 4.24Å |
| 149 | D | 93.8 | Very high | 87.1 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 173.1 | 170.8 | 80.5 | 27.2 | 0 | 0 | 0 | 112.1 | V111 E151 E152 F153 | V111-D149 HydrophobicContact CG1-CB 4.26Å; D149-E151 VanDerWaalsContact C-N 3.32Å; D149-E151 PolarHBondContact O-N 2.8Å; D149-E151 WeakPolarHBondContact OD1-CA 3.37Å; D149-E151 WeakPolarHBondContact OD1-CB 3.44Å; D149-E151 PolarHBondContact OD1-N 2.94Å; D149-E152 PolarHBondContact N-OE2 3.01Å; D149-E152 PolarHBondContact O-N 2.75Å; D149-E152 WeakPolarHBondContact OD1-CG 3.32Å; D149-E152 PolarHBondContact OD1-N 3.08Å; D149-F153 WeakPolarHBondContact O-CB 3.35Å; D149-F153 PolarHBondContact O-N 3.28Å |
| 150 | Y | 91.9 | Very high | 85.1 | Confident | 74 Ų | 74 | 73.2 Ų | 73.2 | 29% | 0.29 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.3 | -36.6 | -179.6 | 177.6 | -99.4 | 0 | 0 | 0 | 113.6 | R98 F101 V154 | R98-Y150 HydrophobicContact CB-CE2 4.45Å; R98-Y150 HydrophobicContact CG-CE2 3.63Å; R98-Y150 WeakPolarHBondContact CG-OH 3.12Å; R98-Y150 PolarHBondContact NE-OH 3.06Å; F101-Y150 HydrophobicContact CB-CD2 4.24Å; F101-Y150 HydrophobicContact CD1-CD2 4.19Å; F101-Y150 HydrophobicContact CD2-CD2 4.18Å; F101-Y150 AromaticContact CG-CD2 3.93Å; F101-Y150 HydrophobicContact CG-CD2 3.93Å; Y150-V154 HydrophobicContact CD1-CG2 4.18Å; Y150-V154 HydrophobicContact CE1-CG2 3.69Å; Y150-V154 HydrophobicContact CE2-CG2 4.05Å; Y150-V154 WeakPolarHBondContact O-CG2 3.33Å; Y150-V154 PolarHBondContact O-N 3.29Å |
| 151 | E | 91.4 | Very high | 85.1 | Confident | 135 Ų | 135 | 75.9 Ų | 75.9 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70.1 | -39.9 | -180 | -63.3 | -167.7 | 176 | 0 | 0 | 111.5 | D149 V154 K155 | D149-E151 VanDerWaalsContact C-N 3.32Å; D149-E151 PolarHBondContact O-N 2.8Å; D149-E151 WeakPolarHBondContact OD1-CA 3.37Å; D149-E151 WeakPolarHBondContact OD1-CB 3.44Å; D149-E151 PolarHBondContact OD1-N 2.94Å; E151-V154 PolarHBondContact O-N 3.37Å; E151-K155 WeakPolarHBondContact O-CG 3.45Å; E151-K155 PolarHBondContact O-N 3.23Å |
| 152 | E | 91.3 | Very high | 84.8 | Confident | 6 Ų | 6 | 78.4 Ų | 78.4 | 3% | 0.028 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 173.8 | -68.8 | 175.4 | 149.4 | 0 | 0 | 111.1 | V140 V142 D143 I148 D149 V154 K155 M156 | V140-E152 HydrophobicContact CG1-CB 3.93Å; V140-E152 VanDerWaalsContact CG1-O 3.26Å; V140-E152 WeakPolarHBondContact CG1-O 3.39Å; V142-E152 PolarHBondContact N-OE1 2.58Å; D143-E152 PolarHBondContact N-OE1 3.07Å; I148-E152 WeakPolarHBondContact CA-OE2 3.49Å; I148-E152 HydrophobicContact CG2-CB 3.75Å; D149-E152 PolarHBondContact N-OE2 3.01Å; D149-E152 PolarHBondContact O-N 2.75Å; D149-E152 WeakPolarHBondContact OD1-CG 3.32Å; D149-E152 PolarHBondContact OD1-N 3.08Å; E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 3.44Å; E152-K155 WeakPolarHBondContact O-CB 3.21Å; E152-K155 PolarHBondContact O-N 3.39Å; E152-K155 VanDerWaalsContact O-N 3.11Å; E152-M156 PolarHBondContact O-N 2.8Å |
| 153 | F | 88.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.9 | -167.1 | -91.3 | 0 | 0 | 0 | 112.1 | I97 A100 F101 F104 I148 D149 M156 M157 | I97-F153 HydrophobicContact CG2-CD1 3.82Å; I97-F153 HydrophobicContact CG2-CE1 4.06Å; A100-F153 HydrophobicContact CB-CE1 4.05Å; A100-F153 HydrophobicContact CB-CZ 4.11Å; F101-F153 HydrophobicContact CB-CD1 4.05Å; F101-F153 HydrophobicContact CB-CE1 4.1Å; F101-F153 HydrophobicContact CD2-CB 3.62Å; F101-F153 AromaticContact CD2-CD1 3.84Å; F101-F153 HydrophobicContact CD2-CD1 3.84Å; F101-F153 AromaticContact CD2-CD2 3.94Å; F101-F153 HydrophobicContact CD2-CD2 3.94Å; F101-F153 HydrophobicContact CD2-CE1 4.48Å; F101-F153 AromaticContact CD2-CG 3.54Å; F101-F153 HydrophobicContact CD2-CG 3.54Å; F101-F153 HydrophobicContact CE2-CB 3.93Å; F101-F153 HydrophobicContact CE2-CG 4.25Å; F101-F153 HydrophobicContact CG-CD1 4.46Å; F104-F153 AromaticContact CD2-CE2 3.56Å; F104-F153 HydrophobicContact CD2-CE2 3.56Å; F104-F153 AromaticContact CD2-CZ 3.5Å; F104-F153 HydrophobicContact CD2-CZ 3.5Å; F104-F153 AromaticContact CE2-CE2 3.81Å; F104-F153 HydrophobicContact CE2-CE2 3.81Å; F104-F153 AromaticContact CE2-CZ 3.62Å; F104-F153 HydrophobicContact CE2-CZ 3.62Å; F104-F153 HydrophobicContact CG-CE2 4.22Å; I148-F153 HydrophobicContact CG2-CB 3.77Å; I148-F153 HydrophobicContact CG2-CD2 4.24Å; D149-F153 WeakPolarHBondContact O-CB 3.35Å; D149-F153 PolarHBondContact O-N 3.28Å; F153-M156 HydrophobicContact CD2-CE 3.4Å; F153-M156 HydrophobicContact CE2-CE 3.33Å; F153-M156 HydrophobicContact CG-CE 4.04Å; F153-M156 HydrophobicContact CZ-CE 3.92Å; F153-M156 WeakPolarHBondContact O-CB 3.14Å; F153-M156 PolarHBondContact O-N 2.96Å; F153-M157 HydrophobicContact CD1-CG 4Å; F153-M157 HydrophobicContact CE1-CG 3.71Å; F153-M157 HydrophobicContact CE1-SD 4.47Å; F153-M157 HydrophobicContact CZ-CG 4.23Å; F153-M157 HydrophobicContact CZ-SD 4.49Å; F153-M157 WeakPolarHBondContact O-CG 3.4Å; F153-M157 PolarHBondContact O-N 2.87Å |
| 154 | V | 87.5 | Confident | 84.2 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 173 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | I97 Y150 E151 E152 M156 M157 T158 | I97-V154 HydrophobicContact CG2-CG2 3.77Å; Y150-V154 HydrophobicContact CD1-CG2 4.18Å; Y150-V154 HydrophobicContact CE1-CG2 3.69Å; Y150-V154 HydrophobicContact CE2-CG2 4.05Å; Y150-V154 WeakPolarHBondContact O-CG2 3.33Å; Y150-V154 PolarHBondContact O-N 3.29Å; E151-V154 PolarHBondContact O-N 3.37Å; E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 3.44Å; V154-M156 VanDerWaalsContact C-N 3.32Å; V154-M156 PolarHBondContact O-N 3.04Å; V154-M157 PolarHBondContact O-N 3.38Å; V154-T158 HydrophobicContact CG1-CG2 4Å; V154-T158 VanDerWaalsContact O-CB 3.3Å; V154-T158 WeakPolarHBondContact O-CB 3.15Å; V154-T158 WeakPolarHBondContact O-CG2 3.24Å; V154-T158 PolarHBondContact O-N 3.47Å; V154-T158 PolarHBondContact O-OG1 3.08Å |
| 155 | K | 84.9 | Confident | 83.9 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 45% | 0.452 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 176.9 | -72.3 | 170 | -170.2 | 158.9 | 0 | 111.3 | E151 E152 M157 T158 S159 | E151-K155 WeakPolarHBondContact O-CG 3.45Å; E151-K155 PolarHBondContact O-N 3.23Å; E152-K155 WeakPolarHBondContact O-CB 3.21Å; E152-K155 PolarHBondContact O-N 3.39Å; E152-K155 VanDerWaalsContact O-N 3.11Å; K155-M157 VanDerWaalsContact C-N 3.32Å; K155-M157 PolarHBondContact O-N 3.47Å; K155-T158 PolarHBondContact O-N 3.18Å; K155-S159 WeakPolarHBondContact O-CB 3.24Å; K155-S159 PolarHBondContact O-N 3.47Å |
| 156 | M | 82.5 | Confident | 83.4 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.7 | -45.8 | 175.6 | -178.3 | -176 | 68.7 | 0 | 0 | 111.9 | F117 V140 E152 F153 V154 | F117-M156 HydrophobicContact CE2-CE 4.32Å; V140-M156 HydrophobicContact CB-CB 4.44Å; V140-M156 HydrophobicContact CG1-CB 3.76Å; V140-M156 HydrophobicContact CG1-CG 4.47Å; V140-M156 HydrophobicContact CG2-CB 3.74Å; V140-M156 HydrophobicContact CG2-CG 3.73Å; V140-M156 HydrophobicContact CG2-SD 4.08Å; E152-M156 PolarHBondContact O-N 2.8Å; F153-M156 HydrophobicContact CD2-CE 3.4Å; F153-M156 HydrophobicContact CE2-CE 3.33Å; F153-M156 HydrophobicContact CG-CE 4.04Å; F153-M156 HydrophobicContact CZ-CE 3.92Å; F153-M156 WeakPolarHBondContact O-CB 3.14Å; F153-M156 PolarHBondContact O-N 2.96Å; V154-M156 VanDerWaalsContact C-N 3.32Å; V154-M156 PolarHBondContact O-N 3.04Å |
| 157 | M | 80.8 | Confident | 83 | Confident | 88 Ų | 88 | 78.4 Ų | 78.4 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -80.6 | -22.8 | -176.6 | -66.4 | -65.2 | -69.3 | 0 | 0 | 113.9 | I97 F153 V154 K155 | I97-M157 HydrophobicContact CD1-CB 3.85Å; I97-M157 HydrophobicContact CG1-CB 3.79Å; I97-M157 HydrophobicContact CG1-CG 4.27Å; I97-M157 HydrophobicContact CG2-CB 4.44Å; I97-M157 HydrophobicContact CG2-CG 4.44Å; F153-M157 HydrophobicContact CD1-CG 4Å; F153-M157 HydrophobicContact CE1-CG 3.71Å; F153-M157 HydrophobicContact CE1-SD 4.47Å; F153-M157 HydrophobicContact CZ-CG 4.23Å; F153-M157 HydrophobicContact CZ-SD 4.49Å; F153-M157 WeakPolarHBondContact O-CG 3.4Å; F153-M157 PolarHBondContact O-N 2.87Å; V154-M157 PolarHBondContact O-N 3.38Å; K155-M157 VanDerWaalsContact C-N 3.32Å; K155-M157 PolarHBondContact O-N 3.47Å |
| 158 | T | 74.2 | Confident | 82.3 | Confident | 79 Ų | 79 | 80.1 Ų | 80.1 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -105.6 | -9.7 | -174.7 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | I97 V154 K155 R160 | I97-T158 HydrophobicContact CD1-CG2 3.57Å; V154-T158 HydrophobicContact CG1-CG2 4Å; V154-T158 VanDerWaalsContact O-CB 3.3Å; V154-T158 WeakPolarHBondContact O-CB 3.15Å; V154-T158 WeakPolarHBondContact O-CG2 3.24Å; V154-T158 PolarHBondContact O-N 3.47Å; V154-T158 PolarHBondContact O-OG1 3.08Å; K155-T158 PolarHBondContact O-N 3.18Å; T158-R160 PolarHBondContact O-N 3.17Å |
| 159 | S | 65.9 | Low | 81.5 | Confident | 105 Ų | 105 | 86.7 Ų | 86.7 | 73% | 0.734 | 41% | 0.414 | S | S | * | . | trans | -67.2 | 94.5 | 174.2 | -168.5 | 0 | 0 | 0 | 0 | 110.4 | K155 | K155-S159 WeakPolarHBondContact O-CB 3.24Å; K155-S159 PolarHBondContact O-N 3.47Å | ||
| 160 | R | 45.3 | Very low | 80.4 | Confident | 312 Ų | 312 | 90 Ų | 90 | 100% | 1.177 | 43% | 0.428 | S | S | * | . | trans | -131.5 | 0 | 163.5 | -76.3 | -169 | 176.2 | -171.9 | 1.7 | 109.3 | T158 | T158-R160 PolarHBondContact O-N 3.17Š|
Retrieved 160 of 160 residues in 50.4 ms
(Link to these results)