| 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 | 53.3 | Low | 65.4 | Low | 206 Ų | 206 | 115.5 Ų | 115.5 | 100% | 1.015 | 63% | 0.626 | S | S | * | * | 0 | -35.8 | 0 | -83.7 | 173.6 | 81.5 | 0 | 0 | 114.6 | T3 A4 | M1-T3 PolarHBondContact O-N 2.62Å; M1-A4 PolarHBondContact O-N 2.98Å | |||
| 2 | R | 56.4 | Low | 66 | Low | 228 Ų | 228 | 116.3 Ų | 116.3 | 86% | 0.86 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.5 | -38.3 | -177.3 | -71.4 | -176.1 | 175.3 | -178.7 | -1.8 | 114.8 | L6 | R2-L6 WeakPolarHBondContact O-CD1 3.34Å; R2-L6 WeakPolarHBondContact O-CG 3.44Å |
| 3 | T | 56.3 | Low | 66.2 | Low | 107 Ų | 107 | 115 Ų | 115 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.7 | -29.4 | 178.1 | 44.4 | 0 | 0 | 0 | 0 | 113.9 | M1 V5 L6 | M1-T3 PolarHBondContact O-N 2.62Å; T3-V5 VanDerWaalsContact C-N 3.33Å; T3-V5 PolarHBondContact O-N 3.33Å; T3-L6 PolarHBondContact O-N 3.17Å |
| 4 | A | 62.3 | Low | 66.4 | Low | 70 Ų | 70 | 111.3 Ų | 111.3 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.6 | -23.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 P8 | M1-A4 PolarHBondContact O-N 2.98Å; A4-P8 WeakPolarHBondContact O-CD 3.31Å; A4-P8 WeakPolarHBondContact O-CG 2.98Å |
| 5 | V | 64.8 | Low | 66.5 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -87.8 | -28 | 175.8 | -177 | 0 | 0 | 0 | 0 | 111.6 | T3 P8 L9 | T3-V5 VanDerWaalsContact C-N 3.33Å; T3-V5 PolarHBondContact O-N 3.33Å; V5-P8 WeakPolarHBondContact O-CD 3.31Å; V5-P8 WeakPolarHBondContact O-CG 3.41Å; V5-L9 HydrophobicContact CG1-CD1 4.39Å; V5-L9 PolarHBondContact O-N 2.81Å |
| 6 | L | 64.9 | Low | 66.6 | Low | 102 Ų | 102 | 109.8 Ų | 109.8 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66 | -40.2 | -179.5 | -82 | 158.7 | 0 | 0 | 0 | 113 | R2 T3 L9 L10 | R2-L6 WeakPolarHBondContact O-CD1 3.34Å; R2-L6 WeakPolarHBondContact O-CG 3.44Å; T3-L6 PolarHBondContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 3.19Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 3.03Å |
| 7 | L | 71 | Confident | 66.7 | Low | 132 Ų | 132 | 113.2 Ų | 113.2 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.1 | -52 | 179.4 | -105.7 | 116.7 | 0 | 0 | 0 | 114.4 | L9 L10 A11 | L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.19Å; L7-L10 PolarHBondContact O-N 3.36Å; L7-A11 PolarHBondContact O-N 3.09Å |
| 8 | P | 71.6 | Confident | 67.1 | Low | 67 Ų | 67 | 110.4 Ų | 110.4 | 44% | 0.435 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.4 | -31.7 | 177 | 21.1 | -29.6 | 0 | 0 | 0 | 112.4 | A4 V5 A11 L12 | A4-P8 WeakPolarHBondContact O-CD 3.31Å; A4-P8 WeakPolarHBondContact O-CG 2.98Å; V5-P8 WeakPolarHBondContact O-CD 3.31Å; V5-P8 WeakPolarHBondContact O-CG 3.41Å; P8-A11 PolarHBondContact O-N 2.89Å; P8-L12 WeakPolarHBondContact O-CB 3.3Å; P8-L12 WeakPolarHBondContact O-CG 3.49Å; P8-L12 PolarHBondContact O-N 2.65Å |
| 9 | L | 72.6 | Confident | 67.8 | Low | 99 Ų | 99 | 110.4 Ų | 110.4 | 52% | 0.518 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.8 | -43.6 | 174 | -128.7 | 99.3 | 0 | 0 | 0 | 111.9 | V5 L6 L7 L12 L13 | V5-L9 HydrophobicContact CG1-CD1 4.39Å; V5-L9 PolarHBondContact O-N 2.81Å; L6-L9 PolarHBondContact O-N 3.19Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.19Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-L13 HydrophobicContact CD2-CD1 4.48Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.39Å |
| 10 | L | 73.8 | Confident | 68.7 | Low | 116 Ų | 116 | 107.1 Ų | 107.1 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.7 | -40.3 | 175.7 | -103.3 | 134.5 | 0 | 0 | 0 | 112 | L6 L7 L13 A14 | L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 3.03Å; L7-L10 PolarHBondContact O-N 3.36Å; L10-L13 PolarHBondContact O-N 2.9Å; L10-A14 WeakPolarHBondContact O-CB 3.27Å; L10-A14 PolarHBondContact O-N 3.48Å |
| 11 | A | 72.6 | Confident | 69.5 | Low | 55 Ų | 55 | 110.2 Ų | 110.2 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.4 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 P8 A14 V15 | L7-A11 PolarHBondContact O-N 3.09Å; P8-A11 PolarHBondContact O-N 2.89Å; A11-A14 PolarHBondContact O-N 3.28Å; A11-V15 VanDerWaalsContact O-CG2 3.31Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 3.16Å |
| 12 | L | 72 | Confident | 71.2 | Confident | 125 Ų | 125 | 103.2 Ų | 103.2 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -41.5 | 175.8 | -75.3 | 165.6 | 0 | 0 | 0 | 112.2 | P8 L9 V15 A16 | P8-L12 WeakPolarHBondContact O-CB 3.3Å; P8-L12 WeakPolarHBondContact O-CG 3.49Å; P8-L12 PolarHBondContact O-N 2.65Å; L9-L12 PolarHBondContact O-N 2.96Å; L12-V15 PolarHBondContact O-N 3.17Å; L12-A16 VanDerWaalsContact O-CB 3.32Å; L12-A16 WeakPolarHBondContact O-CB 3.2Å; L12-A16 PolarHBondContact O-N 3.21Å |
| 13 | L | 69.5 | Low | 72.8 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 52% | 0.518 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -41.7 | 174.7 | -82 | 158.1 | 0 | 0 | 0 | 112 | L9 L10 A16 Q17 | L9-L13 HydrophobicContact CD2-CD1 4.48Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.39Å; L10-L13 PolarHBondContact O-N 2.9Å; L13-A16 PolarHBondContact O-N 3.34Å; L13-Q17 PolarHBondContact O-N 3.1Å; L13-Q17 VanDerWaalsContact O-N 3.11Å |
| 14 | A | 69 | Low | 74.5 | Confident | 63 Ų | 63 | 94 Ų | 94 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L10 A11 Q17 A18 | L10-A14 WeakPolarHBondContact O-CB 3.27Å; L10-A14 PolarHBondContact O-N 3.48Å; A11-A14 PolarHBondContact O-N 3.28Å; A14-Q17 PolarHBondContact O-N 2.76Å; A14-A18 PolarHBondContact O-N 2.79Å |
| 15 | V | 67 | Low | 76 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.6 | -35.5 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | A11 L12 Q17 A18 | A11-V15 VanDerWaalsContact O-CG2 3.31Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 3.17Å; V15-Q17 VanDerWaalsContact C-N 3.3Å; V15-Q17 PolarHBondContact O-N 3.15Å; V15-A18 PolarHBondContact O-N 3.01Å |
| 16 | A | 68.2 | Low | 77.5 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 71% | 0.711 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70 | -22.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L12 L13 | L12-A16 VanDerWaalsContact O-CB 3.32Å; L12-A16 WeakPolarHBondContact O-CB 3.2Å; L12-A16 PolarHBondContact O-N 3.21Å; L13-A16 PolarHBondContact O-N 3.34Å |
| 17 | Q | 68.8 | Low | 79 | Confident | 168 Ų | 168 | 91.7 Ų | 91.7 | 79% | 0.785 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -97.4 | -7.5 | 175.3 | -68.4 | -161.2 | -20.2 | 0 | 0 | 113.9 | L13 A14 V15 V19 | L13-Q17 PolarHBondContact O-N 3.1Å; L13-Q17 VanDerWaalsContact O-N 3.11Å; A14-Q17 PolarHBondContact O-N 2.76Å; V15-Q17 VanDerWaalsContact C-N 3.3Å; V15-Q17 PolarHBondContact O-N 3.15Å; Q17-V19 PolarHBondContact O-N 2.91Å |
| 18 | A | 74.5 | Confident | 80.2 | Confident | 63 Ų | 63 | 88.7 Ų | 88.7 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -74 | 126.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A14 V15 S20 | A14-A18 PolarHBondContact O-N 2.79Å; V15-A18 PolarHBondContact O-N 3.01Å; A18-S20 PolarHBondContact O-N 2.74Å |
| 19 | V | 79.3 | Confident | 81.4 | Confident | 109 Ų | 109 | 85.5 Ų | 85.5 | 66% | 0.661 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 125.1 | 167.1 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | Q17 D23 V24 | Q17-V19 PolarHBondContact O-N 2.91Å; V19-D23 HydrophobicContact CG1-CB 4.37Å; V19-V24 HydrophobicContact CG1-CG2 3.66Å |
| 20 | S | 86 | Confident | 82.6 | Confident | 45 Ų | 45 | 85 Ų | 85 | 32% | 0.315 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 145.5 | 179.7 | 85.8 | 0 | 0 | 0 | 0 | 109.6 | A18 A22 D23 V24 | A18-S20 PolarHBondContact O-N 2.74Å; S20-A22 PolarHBondContact O-N 3.26Å; S20-A22 PolarHBondContact OG-N 3.33Å; S20-D23 VanDerWaalsContact CB-OD2 3.28Å; S20-D23 WeakPolarHBondContact CB-OD2 3.48Å; S20-D23 PolarHBondContact N-OD2 3.32Å; S20-D23 PolarHBondContact O-N 2.58Å; S20-D23 VanDerWaalsContact O-N 3.07Å; S20-D23 PolarHBondContact OG-N 2.86Å; S20-D23 PolarHBondContact OG-OD1 2.83Å; S20-D23 PolarHBondContact OG-OD2 3.31Å; S20-V24 PolarHBondContact O-N 3.11Å |
| 21 | F | 86.2 | Confident | 83.7 | Confident | 172 Ų | 172 | 83.4 Ų | 83.4 | 75% | 0.754 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -56.6 | -32.6 | 172.9 | 176.2 | -97.7 | 0 | 0 | 0 | 111.7 | V25 | F21-V25 HydrophobicContact CD1-CG2 4.15Å; F21-V25 HydrophobicContact CE1-CG2 3.67Å; F21-V25 HydrophobicContact CE2-CG2 4.24Å; F21-V25 HydrophobicContact CZ-CG2 3.72Å; F21-V25 WeakPolarHBondContact O-CG2 3.33Å; F21-V25 PolarHBondContact O-N 3.45Å; F21-V25 VanDerWaalsContact O-N 3.15Å |
| 22 | A | 88.1 | Confident | 84.9 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S20 V25 M26 | S20-A22 PolarHBondContact O-N 3.26Å; S20-A22 PolarHBondContact OG-N 3.33Å; A22-V25 PolarHBondContact O-N 2.95Å; A22-M26 WeakPolarHBondContact O-CB 3.25Å; A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.19Å; A22-M26 PolarHBondContact O-N 3.46Å |
| 23 | D | 91.1 | Very high | 86.2 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 179 | -60.1 | -40.4 | 0 | 0 | 0 | 111.1 | V19 S20 V25 M26 E27 | V19-D23 HydrophobicContact CG1-CB 4.37Å; S20-D23 VanDerWaalsContact CB-OD2 3.28Å; S20-D23 WeakPolarHBondContact CB-OD2 3.48Å; S20-D23 PolarHBondContact N-OD2 3.32Å; S20-D23 PolarHBondContact O-N 2.58Å; S20-D23 VanDerWaalsContact O-N 3.07Å; S20-D23 PolarHBondContact OG-N 2.86Å; S20-D23 PolarHBondContact OG-OD1 2.83Å; S20-D23 PolarHBondContact OG-OD2 3.31Å; D23-V25 PolarHBondContact O-N 3.19Å; D23-M26 PolarHBondContact O-N 2.81Å; D23-E27 WeakPolarHBondContact O-CG 3.19Å; D23-E27 PolarHBondContact O-N 3.28Å |
| 24 | V | 91.7 | Very high | 87.5 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 34% | 0.339 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | V19 S20 M26 E27 E28 | V19-V24 HydrophobicContact CG1-CG2 3.66Å; S20-V24 PolarHBondContact O-N 3.11Å; V24-M26 VanDerWaalsContact C-N 3.31Å; V24-M26 PolarHBondContact O-N 3.09Å; V24-E27 PolarHBondContact O-N 2.92Å; V24-E28 WeakPolarHBondContact O-CG 3.22Å; V24-E28 PolarHBondContact O-N 2.98Å |
| 25 | V | 93.9 | Very high | 88.8 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 9% | 0.091 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 178.5 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | F21 A22 D23 W29 L50 N54 | F21-V25 HydrophobicContact CD1-CG2 4.15Å; F21-V25 HydrophobicContact CE1-CG2 3.67Å; F21-V25 HydrophobicContact CE2-CG2 4.24Å; F21-V25 HydrophobicContact CZ-CG2 3.72Å; F21-V25 WeakPolarHBondContact O-CG2 3.33Å; F21-V25 PolarHBondContact O-N 3.45Å; F21-V25 VanDerWaalsContact O-N 3.15Å; A22-V25 PolarHBondContact O-N 2.95Å; D23-V25 PolarHBondContact O-N 3.19Å; V25-W29 WeakPolarHBondContact O-CB 3.3Å; V25-W29 PolarHBondContact O-N 2.99Å; V25-L50 HydrophobicContact CG1-CD1 4.42Å; V25-N54 VanDerWaalsContact CG1-OD1 3.26Å; V25-N54 WeakPolarHBondContact CG1-OD1 3.46Å |
| 26 | M | 95.5 | Very high | 90.2 | Very high | 69 Ų | 69 | 78.1 Ų | 78.1 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 177.7 | -71 | -55.2 | -58.2 | 0 | 0 | 111.9 | A22 D23 V24 W29 H30 L50 | A22-M26 WeakPolarHBondContact O-CB 3.25Å; A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.19Å; A22-M26 PolarHBondContact O-N 3.46Å; D23-M26 PolarHBondContact O-N 2.81Å; V24-M26 VanDerWaalsContact C-N 3.31Å; V24-M26 PolarHBondContact O-N 3.09Å; M26-W29 WeakPolarHBondContact O-CB 3.03Å; M26-W29 PolarHBondContact O-N 3.27Å; M26-H30 WeakPolarHBondContact O-CB 3.12Å; M26-H30 PolarHBondContact O-CD2 3.4Å; M26-H30 PolarHBondContact O-N 3.02Å; M26-L50 HydrophobicContact SD-CD2 3.74Å |
| 27 | E | 95.8 | Very high | 91.5 | Very high | 128 Ų | 128 | 84.3 Ų | 84.3 | 60% | 0.598 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.3 | -47.1 | 174.3 | -74.6 | 178.4 | 174.9 | 0 | 0 | 111.7 | D23 V24 W29 H30 T31 | D23-E27 WeakPolarHBondContact O-CG 3.19Å; D23-E27 PolarHBondContact O-N 3.28Å; V24-E27 PolarHBondContact O-N 2.92Å; E27-W29 VanDerWaalsContact C-N 3.34Å; E27-W29 PolarHBondContact O-N 3.48Å; E27-H30 PolarHBondContact O-N 3.21Å; E27-T31 PolarHBondContact O-N 3.42Å; E27-T31 PolarHBondContact O-OG1 3.36Å |
| 28 | E | 96.4 | Very high | 92.8 | Very high | 68 Ų | 68 | 78 Ų | 78 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 176.1 | -69.1 | 171 | 138 | 0 | 0 | 112.2 | V24 T31 F32 K57 | V24-E28 WeakPolarHBondContact O-CG 3.22Å; V24-E28 PolarHBondContact O-N 2.98Å; E28-T31 PolarHBondContact O-N 3.25Å; E28-F32 WeakPolarHBondContact O-CB 3.42Å; E28-F32 PolarHBondContact O-N 3.3Å; E28-K57 IonicContact OE1-NZ 2.7Å; E28-K57 PolarHBondContact OE1-NZ 3.14Å; E28-K57 IonicContact OE2-NZ 2.95Å; E28-K57 PolarHBondContact OE2-NZ 2.83Å |
| 29 | W | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.2 | 175.3 | -122.6 | 0 | 0 | 0 | 111.9 | V25 M26 E27 F32 K33 Y40 E46 R49 L50 F53 D83 | V25-W29 WeakPolarHBondContact O-CB 3.3Å; V25-W29 PolarHBondContact O-N 2.99Å; M26-W29 WeakPolarHBondContact O-CB 3.03Å; M26-W29 PolarHBondContact O-N 3.27Å; E27-W29 VanDerWaalsContact C-N 3.34Å; E27-W29 PolarHBondContact O-N 3.48Å; W29-F32 AromaticContact CE3-CD1 3.58Å; W29-F32 HydrophobicContact CE3-CD1 3.58Å; W29-F32 HydrophobicContact CE3-CE1 4.21Å; W29-F32 HydrophobicContact CE3-CG 4.38Å; W29-F32 HydrophobicContact CH2-CD1 4.29Å; W29-F32 HydrophobicContact CH2-CE1 4.18Å; W29-F32 AromaticContact CZ3-CD1 3.38Å; W29-F32 HydrophobicContact CZ3-CD1 3.38Å; W29-F32 AromaticContact CZ3-CE1 3.51Å; W29-F32 HydrophobicContact CZ3-CE1 3.51Å; W29-F32 HydrophobicContact CZ3-CG 4.46Å; W29-F32 WeakPolarHBondContact O-CB 3.31Å; W29-F32 PolarHBondContact O-N 3.27Å; W29-K33 HydrophobicContact CD2-CD 4.35Å; W29-K33 HydrophobicContact CD2-CG 4.14Å; W29-K33 HydrophobicContact CE3-CG 4.49Å; W29-K33 HydrophobicContact CZ2-CD 3.99Å; W29-K33 HydrophobicContact CZ2-CG 4.14Å; W29-K33 WeakPolarHBondContact O-CG 3.5Å; W29-K33 PolarHBondContact O-N 3.3Å; W29-Y40 AromaticContact CH2-CE2 3.77Å; W29-Y40 HydrophobicContact CH2-CE2 3.77Å; W29-Y40 AromaticContact CH2-CZ 3.62Å; W29-Y40 WeakPolarHBondContact CH2-OH 3.25Å; W29-Y40 HydrophobicContact CZ2-CD2 4.34Å; W29-Y40 AromaticContact CZ2-CE2 3.37Å; W29-Y40 HydrophobicContact CZ2-CE2 3.37Å; W29-Y40 AromaticContact CZ2-CZ 3.74Å; W29-E46 HydrophobicContact CZ2-CG 4.11Å; W29-E46 PolarHBondContact NE1-OE1 3.19Å; W29-R49 HydrophobicContact CH2-CB 3.88Å; W29-R49 HydrophobicContact CZ2-CB 4.27Å; W29-L50 HydrophobicContact CB-CD1 3.8Å; W29-L50 HydrophobicContact CD2-CB 4.3Å; W29-L50 HydrophobicContact CD2-CD1 3.72Å; W29-L50 HydrophobicContact CE3-CD1 4.11Å; W29-L50 HydrophobicContact CG-CD1 3.6Å; W29-L50 HydrophobicContact CH2-CB 4.44Å; W29-L50 HydrophobicContact CZ2-CB 4.01Å; W29-F53 HydrophobicContact CE3-CB 3.91Å; W29-F53 AromaticContact CE3-CD1 3.73Å; W29-F53 HydrophobicContact CE3-CD1 3.73Å; W29-F53 HydrophobicContact CE3-CD2 4.01Å; W29-F53 HydrophobicContact CE3-CE1 4.24Å; W29-F53 HydrophobicContact CE3-CE2 4.49Å; W29-F53 AromaticContact CE3-CG 3.6Å; W29-F53 HydrophobicContact CE3-CG 3.6Å; W29-F53 HydrophobicContact CH2-CB 4.4Å; W29-F53 HydrophobicContact CZ3-CB 3.51Å; W29-F53 HydrophobicContact CZ3-CD1 4.23Å; W29-F53 AromaticContact CZ3-CD2 3.92Å; W29-F53 HydrophobicContact CZ3-CD2 3.92Å; W29-F53 AromaticContact CZ3-CG 3.63Å; W29-F53 HydrophobicContact CZ3-CG 3.63Å; W29-D83 HydrophobicContact CH2-CB 4.29Å; W29-D83 HydrophobicContact CZ3-CB 4.42Å |
| 30 | H | 97.6 | Very high | 94.6 | Very high | 88 Ų | 88 | 78.9 Ų | 78.9 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.7 | -72.4 | -58.5 | 0 | 0 | 0 | 111.6 | M26 E27 K33 L34 | M26-H30 WeakPolarHBondContact O-CB 3.12Å; M26-H30 PolarHBondContact O-CD2 3.4Å; M26-H30 PolarHBondContact O-N 3.02Å; E27-H30 PolarHBondContact O-N 3.21Å; H30-K33 PolarHBondContact O-N 2.67Å; H30-L34 WeakPolarHBondContact O-CG 3.48Å; H30-L34 PolarHBondContact O-N 3.35Å |
| 31 | T | 97.5 | Very high | 95.1 | Very high | 84 Ų | 84 | 85.4 Ų | 85.4 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 174.3 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | E27 E28 K33 L34 E35 | E27-T31 PolarHBondContact O-N 3.42Å; E27-T31 PolarHBondContact O-OG1 3.36Å; E28-T31 PolarHBondContact O-N 3.25Å; T31-K33 VanDerWaalsContact C-N 3.33Å; T31-K33 PolarHBondContact O-N 2.78Å; T31-L34 PolarHBondContact O-N 3.44Å; T31-L34 VanDerWaalsContact O-N 3.16Å; T31-E35 WeakPolarHBondContact O-CB 3.45Å; T31-E35 PolarHBondContact O-N 3.29Å |
| 32 | F | 97.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 80.7 Ų | 80.7 | 3% | 0.026 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54.7 | -47.7 | 176.3 | 166.8 | -97.4 | 0 | 0 | 0 | 112 | E28 W29 L34 E35 H36 K38 F53 V78 N79 A82 D83 | E28-F32 WeakPolarHBondContact O-CB 3.42Å; E28-F32 PolarHBondContact O-N 3.3Å; W29-F32 AromaticContact CE3-CD1 3.58Å; W29-F32 HydrophobicContact CE3-CD1 3.58Å; W29-F32 HydrophobicContact CE3-CE1 4.21Å; W29-F32 HydrophobicContact CE3-CG 4.38Å; W29-F32 HydrophobicContact CH2-CD1 4.29Å; W29-F32 HydrophobicContact CH2-CE1 4.18Å; W29-F32 AromaticContact CZ3-CD1 3.38Å; W29-F32 HydrophobicContact CZ3-CD1 3.38Å; W29-F32 AromaticContact CZ3-CE1 3.51Å; W29-F32 HydrophobicContact CZ3-CE1 3.51Å; W29-F32 HydrophobicContact CZ3-CG 4.46Å; W29-F32 WeakPolarHBondContact O-CB 3.31Å; W29-F32 PolarHBondContact O-N 3.27Å; F32-L34 VanDerWaalsContact C-N 3.35Å; F32-L34 PolarHBondContact O-N 3Å; F32-E35 PolarHBondContact O-N 3.4Å; F32-H36 AromaticContact CD2-CD2 3.36Å; F32-H36 WeakPolarHBondContact CD2-CD2 3.42Å; F32-H36 AromaticContact CD2-NE2 3.99Å; F32-H36 AromaticContact CE2-CD2 3.35Å; F32-H36 WeakPolarHBondContact CE2-CD2 3.44Å; F32-H36 PolarHBondContact O-CD2 3.05Å; F32-H36 PolarHBondContact O-N 3.47Å; F32-K38 HydrophobicContact CD1-CG 4.39Å; F32-K38 HydrophobicContact CE1-CD 4.45Å; F32-K38 HydrophobicContact CE1-CG 3.77Å; F32-K38 HydrophobicContact CZ-CG 4.2Å; F32-F53 HydrophobicContact CB-CE2 3.77Å; F32-F53 HydrophobicContact CB-CZ 3.99Å; F32-F53 HydrophobicContact CD1-CD2 4Å; F32-F53 HydrophobicContact CD1-CE2 4.02Å; F32-F53 HydrophobicContact CD2-CD2 4.03Å; F32-F53 AromaticContact CD2-CE2 3.52Å; F32-F53 HydrophobicContact CD2-CE2 3.52Å; F32-F53 HydrophobicContact CD2-CZ 4.5Å; F32-F53 HydrophobicContact CE1-CD2 4.19Å; F32-F53 HydrophobicContact CE2-CD2 4.23Å; F32-F53 HydrophobicContact CE2-CE2 4.12Å; F32-F53 AromaticContact CG-CD2 3.93Å; F32-F53 HydrophobicContact CG-CD2 3.93Å; F32-F53 AromaticContact CG-CE2 3.47Å; F32-F53 HydrophobicContact CG-CE2 3.47Å; F32-F53 VanDerWaalsContact CG-CE2 3.47Å; F32-F53 HydrophobicContact CG-CZ 4.2Å; F32-F53 HydrophobicContact CZ-CD2 4.31Å; F32-V78 HydrophobicContact CD2-CG1 3.77Å; F32-V78 HydrophobicContact CE2-CG1 4.18Å; F32-N79 VanDerWaalsContact CE2-O 3.31Å; F32-N79 WeakPolarHBondContact CE2-O 3.34Å; F32-A82 HydrophobicContact CE2-CB 3.79Å; F32-A82 HydrophobicContact CZ-CB 4.15Å; F32-D83 HydrophobicContact CE1-CB 3.97Å; F32-D83 HydrophobicContact CZ-CB 4.06Å |
| 33 | K | 98 | Very high | 95.9 | Very high | 35 Ų | 35 | 84.8 Ų | 84.8 | 15% | 0.152 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.5 | -69.6 | -169.8 | -57.7 | 174.1 | 0 | 111.9 | W29 H30 T31 R37 K38 Y40 E46 | W29-K33 HydrophobicContact CD2-CD 4.35Å; W29-K33 HydrophobicContact CD2-CG 4.14Å; W29-K33 HydrophobicContact CE3-CG 4.49Å; W29-K33 HydrophobicContact CZ2-CD 3.99Å; W29-K33 HydrophobicContact CZ2-CG 4.14Å; W29-K33 WeakPolarHBondContact O-CG 3.5Å; W29-K33 PolarHBondContact O-N 3.3Å; H30-K33 PolarHBondContact O-N 2.67Å; T31-K33 VanDerWaalsContact C-N 3.33Å; T31-K33 PolarHBondContact O-N 2.78Å; K33-R37 CarbonylContact O-C 3.48Å; K33-R37 VanDerWaalsContact O-CA 3.24Å; K33-R37 WeakPolarHBondContact O-CA 3.35Å; K33-R37 PolarHBondContact O-N 3Å; K33-K38 HydrophobicContact CB-CB 4.09Å; K33-K38 HydrophobicContact CG-CB 4.03Å; K33-K38 PolarHBondContact O-N 2.95Å; K33-Y40 HydrophobicContact CD-CD2 4.35Å; K33-Y40 HydrophobicContact CD-CE2 3.7Å; K33-Y40 HydrophobicContact CG-CE2 4.1Å; K33-E46 IonicContact NZ-OE1 2.64Å; K33-E46 PolarHBondContact NZ-OE1 3.45Å; K33-E46 IonicContact NZ-OE2 3.65Å |
| 34 | L | 97.2 | Very high | 96.3 | Very high | 142 Ų | 142 | 85.2 Ų | 85.2 | 74% | 0.743 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.3 | -46.1 | 179.1 | -71.8 | 170.9 | 0 | 0 | 0 | 111.8 | H30 T31 F32 H36 R37 | H30-L34 WeakPolarHBondContact O-CG 3.48Å; H30-L34 PolarHBondContact O-N 3.35Å; T31-L34 PolarHBondContact O-N 3.44Å; T31-L34 VanDerWaalsContact O-N 3.16Å; F32-L34 VanDerWaalsContact C-N 3.35Å; F32-L34 PolarHBondContact O-N 3Å; L34-H36 PolarHBondContact O-N 3.28Å; L34-R37 PolarHBondContact O-N 3.41Å |
| 35 | E | 96.2 | Very high | 96.6 | Very high | 132 Ų | 132 | 85.3 Ų | 85.3 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | -179.2 | -175.1 | 174.6 | 173.4 | 0 | 0 | 111.9 | T31 F32 | T31-E35 WeakPolarHBondContact O-CB 3.45Å; T31-E35 PolarHBondContact O-N 3.29Å; F32-E35 PolarHBondContact O-N 3.4Å |
| 36 | H | 95.6 | Very high | 96.7 | Very high | 28 Ų | 28 | 87.1 Ų | 87.1 | 13% | 0.13 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 12.5 | -177.5 | -57.9 | -54.7 | 0 | 0 | 0 | 114.1 | F32 L34 K38 K80 | F32-H36 AromaticContact CD2-CD2 3.36Å; F32-H36 WeakPolarHBondContact CD2-CD2 3.42Å; F32-H36 AromaticContact CD2-NE2 3.99Å; F32-H36 AromaticContact CE2-CD2 3.35Å; F32-H36 WeakPolarHBondContact CE2-CD2 3.44Å; F32-H36 PolarHBondContact O-CD2 3.05Å; F32-H36 PolarHBondContact O-N 3.47Å; L34-H36 PolarHBondContact O-N 3.28Å; H36-K38 HydrophobicContact CB-CD 4.49Å; H36-K38 HydrophobicContact CB-CG 4.1Å; H36-K38 PolarHBondContact O-N 3.4Å; H36-K80 HydrophobicContact CB-CB 3.88Å; H36-K80 PolarHBondContact NE2-N 3.43Å |
| 37 | R | 95.6 | Very high | 96.8 | Very high | 217 Ų | 217 | 91.2 Ų | 91.2 | 82% | 0.819 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 39.9 | 176.4 | -52.6 | 179.5 | -174.9 | -164.7 | 0.7 | 113.2 | K33 L34 | K33-R37 CarbonylContact O-C 3.48Å; K33-R37 VanDerWaalsContact O-CA 3.24Å; K33-R37 WeakPolarHBondContact O-CA 3.35Å; K33-R37 PolarHBondContact O-N 3Å; L34-R37 PolarHBondContact O-N 3.41Å |
| 38 | K | 96.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 89.3 Ų | 89.3 | 15% | 0.148 | 42% | 0.421 | C | S | . | . | trans | -75.1 | 129.7 | -178.7 | -60.3 | -67.6 | -172.4 | 154.4 | 0 | 110.6 | F32 K33 H36 Y40 K80 D83 | F32-K38 HydrophobicContact CD1-CG 4.39Å; F32-K38 HydrophobicContact CE1-CD 4.45Å; F32-K38 HydrophobicContact CE1-CG 3.77Å; F32-K38 HydrophobicContact CZ-CG 4.2Å; K33-K38 HydrophobicContact CB-CB 4.09Å; K33-K38 HydrophobicContact CG-CB 4.03Å; K33-K38 PolarHBondContact O-N 2.95Å; H36-K38 HydrophobicContact CB-CD 4.49Å; H36-K38 HydrophobicContact CB-CG 4.1Å; H36-K38 PolarHBondContact O-N 3.4Å; K38-Y40 HydrophobicContact CB-CE2 4.24Å; K38-K80 WeakPolarHBondContact CE-O 3.4Å; K38-K80 PolarHBondContact NZ-O 2.72Å; K38-D83 WeakPolarHBondContact CD-OD2 3.19Å; K38-D83 WeakPolarHBondContact CE-OD2 3.44Å; K38-D83 IonicContact NZ-OD1 3.11Å; K38-D83 PolarHBondContact NZ-OD1 2.73Å; K38-D83 IonicContact NZ-OD2 2.55Å; K38-D83 PolarHBondContact NZ-OD2 3.4Å | ||
| 39 | N | 95.6 | Very high | 97 | Very high | 149 Ų | 149 | 87.3 Ų | 87.3 | 80% | 0.797 | 41% | 0.41 | S | S | * | . | trans | -133.1 | 136.6 | 170.9 | -66.6 | -61.7 | 0 | 0 | 0 | 107.9 | ||||
| 40 | Y | 96.8 | Very high | 97 | Very high | 43 Ų | 43 | 88.6 Ų | 88.6 | 17% | 0.169 | 42% | 0.417 | C | S | . | . | trans | -115.7 | 153.2 | -178.7 | -53.2 | -67.9 | 0 | 0 | 0 | 109.9 | W29 K33 K38 D42 E45 E46 R49 D83 | W29-Y40 AromaticContact CH2-CE2 3.77Å; W29-Y40 HydrophobicContact CH2-CE2 3.77Å; W29-Y40 AromaticContact CH2-CZ 3.62Å; W29-Y40 WeakPolarHBondContact CH2-OH 3.25Å; W29-Y40 HydrophobicContact CZ2-CD2 4.34Å; W29-Y40 AromaticContact CZ2-CE2 3.37Å; W29-Y40 HydrophobicContact CZ2-CE2 3.37Å; W29-Y40 AromaticContact CZ2-CZ 3.74Å; K33-Y40 HydrophobicContact CD-CD2 4.35Å; K33-Y40 HydrophobicContact CD-CE2 3.7Å; K33-Y40 HydrophobicContact CG-CE2 4.1Å; K38-Y40 HydrophobicContact CB-CE2 4.24Å; Y40-D42 VanDerWaalsContact C-N 3.34Å; Y40-D42 PolarHBondContact O-N 3.46Å; Y40-E45 HydrophobicContact CD1-CG 4.3Å; Y40-E46 HydrophobicContact CD2-CB 3.75Å; Y40-E46 HydrophobicContact CD2-CG 3.7Å; Y40-E46 HydrophobicContact CE2-CG 4.16Å; Y40-E46 HydrophobicContact CG-CB 4.17Å; Y40-R49 HydrophobicContact CD1-CB 4.24Å; Y40-R49 HydrophobicContact CD1-CG 3.75Å; Y40-R49 HydrophobicContact CE1-CB 3.75Å; Y40-R49 HydrophobicContact CE1-CG 3.56Å; Y40-R49 HydrophobicContact CE2-CB 4.46Å; Y40-D83 PolarHBondContact OH-OD2 3.18Å | ||
| 41 | Q | 95.1 | Very high | 97 | Very high | 182 Ų | 182 | 90.5 Ų | 90.5 | 85% | 0.85 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -63.4 | -39.6 | -174.8 | 179.7 | 176.9 | -24.7 | 0 | 0 | 112.5 | ||
| 42 | D | 96.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 86.7 Ų | 86.7 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -155.3 | 172.7 | -179 | 61 | 61.1 | 0 | 0 | 0 | 111.7 | Y40 T44 E45 E46 | Y40-D42 VanDerWaalsContact C-N 3.34Å; Y40-D42 PolarHBondContact O-N 3.46Å; D42-T44 PolarHBondContact O-N 3.02Å; D42-T44 VanDerWaalsContact OD1-CA 3.27Å; D42-T44 WeakPolarHBondContact OD1-CA 3.21Å; D42-T44 WeakPolarHBondContact OD1-CB 3.4Å; D42-T44 PolarHBondContact OD1-N 2.81Å; D42-E45 PolarHBondContact O-N 3.35Å; D42-E45 PolarHBondContact OD1-N 2.87Å; D42-E46 PolarHBondContact O-N 3.19Å |
| 43 | E | 96.3 | Very high | 97.1 | Very high | 146 Ų | 146 | 86.7 Ų | 86.7 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64 | -22.5 | 179.7 | -64.8 | -175.3 | 171.9 | 0 | 0 | 113.8 | R47 | E43-R47 WeakPolarHBondContact O-CB 3.36Å; E43-R47 VanDerWaalsContact O-CG 3.25Å; E43-R47 WeakPolarHBondContact O-CG 3.14Å; E43-R47 PolarHBondContact O-N 3.39Å; E43-R47 VanDerWaalsContact O-N 3.09Å; E43-R47 PolarHBondContact O-NE 2.91Å; E43-R47 VanDerWaalsContact O-NE 3.11Å |
| 44 | T | 97.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 87.6 Ų | 87.6 | 58% | 0.577 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -74.3 | -47.8 | 177.6 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | D42 E46 R47 F48 | D42-T44 PolarHBondContact O-N 3.02Å; D42-T44 VanDerWaalsContact OD1-CA 3.27Å; D42-T44 WeakPolarHBondContact OD1-CA 3.21Å; D42-T44 WeakPolarHBondContact OD1-CB 3.4Å; D42-T44 PolarHBondContact OD1-N 2.81Å; T44-E46 VanDerWaalsContact C-N 3.35Å; T44-R47 PolarHBondContact O-N 3.28Å; T44-F48 PolarHBondContact O-N 2.86Å |
| 45 | E | 97.7 | Very high | 97.1 | Very high | 58 Ų | 58 | 85 Ų | 85 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 172.8 | -179.5 | 64.9 | -180 | 0 | 0 | 110.9 | Y40 D42 R47 F48 R49 | Y40-E45 HydrophobicContact CD1-CG 4.3Å; D42-E45 PolarHBondContact O-N 3.35Å; D42-E45 PolarHBondContact OD1-N 2.87Å; E45-R47 VanDerWaalsContact C-N 3.35Å; E45-R47 PolarHBondContact O-N 3.29Å; E45-F48 WeakPolarHBondContact O-CB 3.15Å; E45-F48 PolarHBondContact O-N 3.47Å; E45-F48 VanDerWaalsContact O-N 3.14Å; E45-R49 HydrophobicContact CG-CG 4.2Å; E45-R49 WeakPolarHBondContact O-CB 3.33Å; E45-R49 WeakPolarHBondContact O-CG 3.43Å; E45-R49 PolarHBondContact O-N 2.93Å; E45-R49 IonicContact OE1-CZ 2.76Å; E45-R49 IonicContact OE1-NE 2.84Å; E45-R49 PolarHBondContact OE1-NE 3.06Å; E45-R49 IonicContact OE1-NH2 2.7Å; E45-R49 PolarHBondContact OE1-NH2 3.1Å |
| 46 | E | 98 | Very high | 97.2 | Very high | 53 Ų | 53 | 78.9 Ų | 78.9 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 178.6 | -179.8 | 166.8 | 175.2 | 0 | 0 | 112.3 | W29 K33 Y40 D42 T44 F48 R49 L50 | W29-E46 HydrophobicContact CZ2-CG 4.11Å; W29-E46 PolarHBondContact NE1-OE1 3.19Å; K33-E46 IonicContact NZ-OE1 2.64Å; K33-E46 PolarHBondContact NZ-OE1 3.45Å; K33-E46 IonicContact NZ-OE2 3.65Å; Y40-E46 HydrophobicContact CD2-CB 3.75Å; Y40-E46 HydrophobicContact CD2-CG 3.7Å; Y40-E46 HydrophobicContact CE2-CG 4.16Å; Y40-E46 HydrophobicContact CG-CB 4.17Å; D42-E46 PolarHBondContact O-N 3.19Å; T44-E46 VanDerWaalsContact C-N 3.35Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 2.89Å; E46-R49 PolarHBondContact O-N 3.13Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 PolarHBondContact O-N 2.97Å |
| 47 | R | 97 | Very high | 97.3 | Very high | 156 Ų | 156 | 80.5 Ų | 80.5 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.4 | -36.6 | 177.3 | -77.4 | -178.2 | -66 | -164.6 | 1.5 | 112.2 | E43 T44 E45 K51 | E43-R47 WeakPolarHBondContact O-CB 3.36Å; E43-R47 VanDerWaalsContact O-CG 3.25Å; E43-R47 WeakPolarHBondContact O-CG 3.14Å; E43-R47 PolarHBondContact O-N 3.39Å; E43-R47 VanDerWaalsContact O-N 3.09Å; E43-R47 PolarHBondContact O-NE 2.91Å; E43-R47 VanDerWaalsContact O-NE 3.11Å; T44-R47 PolarHBondContact O-N 3.28Å; E45-R47 VanDerWaalsContact C-N 3.35Å; E45-R47 PolarHBondContact O-N 3.29Å; R47-K51 PolarHBondContact O-N 3.47Å |
| 48 | F | 98.1 | Very high | 97.4 | Very high | 88 Ų | 88 | 76.3 Ų | 76.3 | 39% | 0.386 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 175 | 179.6 | -119.4 | 0 | 0 | 0 | 111.4 | T44 E45 E46 L50 K51 I52 L85 | T44-F48 PolarHBondContact O-N 2.86Å; E45-F48 WeakPolarHBondContact O-CB 3.15Å; E45-F48 PolarHBondContact O-N 3.47Å; E45-F48 VanDerWaalsContact O-N 3.14Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 2.89Å; F48-L50 PolarHBondContact O-N 3.29Å; F48-K51 WeakPolarHBondContact O-CB 3.43Å; F48-K51 PolarHBondContact O-N 3.03Å; F48-K51 VanDerWaalsContact O-N 3.11Å; F48-I52 HydrophobicContact CD1-CD1 3.89Å; F48-I52 HydrophobicContact CE1-CD1 3.54Å; F48-I52 HydrophobicContact CE2-CD1 4.22Å; F48-I52 HydrophobicContact CG-CD1 4.37Å; F48-I52 HydrophobicContact CZ-CD1 3.74Å; F48-I52 HydrophobicContact CZ-CG1 4.48Å; F48-I52 PolarHBondContact O-N 3.16Å; F48-I52 VanDerWaalsContact O-N 3.16Å; F48-L85 HydrophobicContact CE1-CD1 4.23Å; F48-L85 HydrophobicContact CZ-CD1 3.79Å; F48-L85 HydrophobicContact CZ-CG 4.45Å |
| 49 | R | 98.3 | Very high | 97.5 | Very high | 26 Ų | 26 | 78.1 Ų | 78.1 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.8 | -65.2 | -70.9 | 174.2 | -155 | -6.9 | 112.5 | W29 Y40 E45 E46 K51 I52 F53 D83 E88 | W29-R49 HydrophobicContact CH2-CB 3.88Å; W29-R49 HydrophobicContact CZ2-CB 4.27Å; Y40-R49 HydrophobicContact CD1-CB 4.24Å; Y40-R49 HydrophobicContact CD1-CG 3.75Å; Y40-R49 HydrophobicContact CE1-CB 3.75Å; Y40-R49 HydrophobicContact CE1-CG 3.56Å; Y40-R49 HydrophobicContact CE2-CB 4.46Å; E45-R49 HydrophobicContact CG-CG 4.2Å; E45-R49 WeakPolarHBondContact O-CB 3.33Å; E45-R49 WeakPolarHBondContact O-CG 3.43Å; E45-R49 PolarHBondContact O-N 2.93Å; E45-R49 IonicContact OE1-CZ 2.76Å; E45-R49 IonicContact OE1-NE 2.84Å; E45-R49 PolarHBondContact OE1-NE 3.06Å; E45-R49 IonicContact OE1-NH2 2.7Å; E45-R49 PolarHBondContact OE1-NH2 3.1Å; E46-R49 PolarHBondContact O-N 3.13Å; R49-K51 VanDerWaalsContact C-N 3.32Å; R49-K51 PolarHBondContact O-N 3.49Å; R49-I52 PolarHBondContact O-N 3.24Å; R49-F53 WeakPolarHBondContact O-CB 3.42Å; R49-F53 PolarHBondContact O-N 2.87Å; R49-D83 HydrophobicContact CB-CB 4.23Å; R49-D83 WeakPolarHBondContact CD-O 3.29Å; R49-D83 PolarHBondContact NH1-O 2.98Å; R49-D83 VanDerWaalsContact NH1-O 3.13Å; R49-E88 IonicContact CZ-OE1 2.65Å; R49-E88 IonicContact CZ-OE2 2.77Å; R49-E88 IonicContact NH1-OE1 3.2Å; R49-E88 PolarHBondContact NH1-OE1 3Å; R49-E88 IonicContact NH1-OE2 3.59Å; R49-E88 PolarHBondContact NH1-OE2 3.19Å; R49-E88 IonicContact NH2-OE1 2.69Å; R49-E88 PolarHBondContact NH2-OE1 3.39Å; R49-E88 IonicContact NH2-OE2 2.59Å |
| 50 | L | 98 | Very high | 97.6 | Very high | 27 Ų | 27 | 71.4 Ų | 71.4 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 172.2 | 172.8 | 58.4 | 0 | 0 | 0 | 112.1 | V25 M26 W29 E46 F48 F53 N54 | V25-L50 HydrophobicContact CG1-CD1 4.42Å; M26-L50 HydrophobicContact SD-CD2 3.74Å; W29-L50 HydrophobicContact CB-CD1 3.8Å; W29-L50 HydrophobicContact CD2-CB 4.3Å; W29-L50 HydrophobicContact CD2-CD1 3.72Å; W29-L50 HydrophobicContact CE3-CD1 4.11Å; W29-L50 HydrophobicContact CG-CD1 3.6Å; W29-L50 HydrophobicContact CH2-CB 4.44Å; W29-L50 HydrophobicContact CZ2-CB 4.01Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 PolarHBondContact O-N 2.97Å; F48-L50 PolarHBondContact O-N 3.29Å; L50-F53 HydrophobicContact CD1-CD1 4.39Å; L50-F53 PolarHBondContact O-N 3.43Å; L50-N54 PolarHBondContact O-N 3.24Å; L50-N54 PolarHBondContact O-ND2 3.2Å |
| 51 | K | 97.6 | Very high | 97.7 | Very high | 128 Ų | 128 | 72.2 Ų | 72.2 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | 176.7 | -173.1 | -177.4 | 176.1 | -172.1 | 0 | 111.2 | R47 F48 R49 N54 E55 | R47-K51 PolarHBondContact O-N 3.47Å; F48-K51 WeakPolarHBondContact O-CB 3.43Å; F48-K51 PolarHBondContact O-N 3.03Å; F48-K51 VanDerWaalsContact O-N 3.11Å; R49-K51 VanDerWaalsContact C-N 3.32Å; R49-K51 PolarHBondContact O-N 3.49Å; K51-N54 PolarHBondContact O-N 2.95Å; K51-E55 VanDerWaalsContact CE-OE1 3.26Å; K51-E55 WeakPolarHBondContact CE-OE1 3.11Å; K51-E55 WeakPolarHBondContact O-CG 3.43Å; K51-E55 PolarHBondContact O-N 3.24Å |
| 52 | I | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 177.4 | -64.3 | 161.6 | 0 | 0 | 0 | 110.8 | F48 R49 N54 E55 N56 L84 L85 | F48-I52 HydrophobicContact CD1-CD1 3.89Å; F48-I52 HydrophobicContact CE1-CD1 3.54Å; F48-I52 HydrophobicContact CE2-CD1 4.22Å; F48-I52 HydrophobicContact CG-CD1 4.37Å; F48-I52 HydrophobicContact CZ-CD1 3.74Å; F48-I52 HydrophobicContact CZ-CG1 4.48Å; F48-I52 PolarHBondContact O-N 3.16Å; F48-I52 VanDerWaalsContact O-N 3.16Å; R49-I52 PolarHBondContact O-N 3.24Å; I52-N54 VanDerWaalsContact C-N 3.31Å; I52-N54 PolarHBondContact O-N 2.62Å; I52-E55 PolarHBondContact O-N 2.95Å; I52-E55 VanDerWaalsContact O-N 3.17Å; I52-N56 WeakPolarHBondContact CG2-ND2 3.36Å; I52-N56 WeakPolarHBondContact O-CB 3.42Å; I52-N56 PolarHBondContact O-N 3.49Å; I52-L84 VanDerWaalsContact CG2-C 3.43Å; I52-L84 VanDerWaalsContact CG2-O 3.3Å; I52-L84 WeakPolarHBondContact CG2-O 3.35Å; I52-L85 HydrophobicContact CD1-CD1 4.35Å; I52-L85 HydrophobicContact CD1-CD2 3.91Å; I52-L85 HydrophobicContact CD1-CG 3.69Å; I52-L85 HydrophobicContact CG1-CD2 3.78Å; I52-L85 HydrophobicContact CG1-CG 4.13Å |
| 53 | F | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.4 | -47.7 | 175.7 | 174.1 | -97 | 0 | 0 | 0 | 112.2 | W29 F32 R49 L50 N56 K57 V78 A82 | W29-F53 HydrophobicContact CE3-CB 3.91Å; W29-F53 AromaticContact CE3-CD1 3.73Å; W29-F53 HydrophobicContact CE3-CD1 3.73Å; W29-F53 HydrophobicContact CE3-CD2 4.01Å; W29-F53 HydrophobicContact CE3-CE1 4.24Å; W29-F53 HydrophobicContact CE3-CE2 4.49Å; W29-F53 AromaticContact CE3-CG 3.6Å; W29-F53 HydrophobicContact CE3-CG 3.6Å; W29-F53 HydrophobicContact CH2-CB 4.4Å; W29-F53 HydrophobicContact CZ3-CB 3.51Å; W29-F53 HydrophobicContact CZ3-CD1 4.23Å; W29-F53 AromaticContact CZ3-CD2 3.92Å; W29-F53 HydrophobicContact CZ3-CD2 3.92Å; W29-F53 AromaticContact CZ3-CG 3.63Å; W29-F53 HydrophobicContact CZ3-CG 3.63Å; F32-F53 HydrophobicContact CB-CE2 3.77Å; F32-F53 HydrophobicContact CB-CZ 3.99Å; F32-F53 HydrophobicContact CD1-CD2 4Å; F32-F53 HydrophobicContact CD1-CE2 4.02Å; F32-F53 HydrophobicContact CD2-CD2 4.03Å; F32-F53 AromaticContact CD2-CE2 3.52Å; F32-F53 HydrophobicContact CD2-CE2 3.52Å; F32-F53 HydrophobicContact CD2-CZ 4.5Å; F32-F53 HydrophobicContact CE1-CD2 4.19Å; F32-F53 HydrophobicContact CE2-CD2 4.23Å; F32-F53 HydrophobicContact CE2-CE2 4.12Å; F32-F53 AromaticContact CG-CD2 3.93Å; F32-F53 HydrophobicContact CG-CD2 3.93Å; F32-F53 AromaticContact CG-CE2 3.47Å; F32-F53 HydrophobicContact CG-CE2 3.47Å; F32-F53 VanDerWaalsContact CG-CE2 3.47Å; F32-F53 HydrophobicContact CG-CZ 4.2Å; F32-F53 HydrophobicContact CZ-CD2 4.31Å; R49-F53 WeakPolarHBondContact O-CB 3.42Å; R49-F53 PolarHBondContact O-N 2.87Å; L50-F53 HydrophobicContact CD1-CD1 4.39Å; L50-F53 PolarHBondContact O-N 3.43Å; F53-N56 PolarHBondContact O-N 3.48Å; F53-K57 HydrophobicContact CE1-CD 4.43Å; F53-K57 VanDerWaalsContact O-CB 3.27Å; F53-K57 WeakPolarHBondContact O-CB 3.49Å; F53-K57 PolarHBondContact O-N 2.76Å; F53-V78 HydrophobicContact CE2-CG1 3.74Å; F53-V78 HydrophobicContact CZ-CG1 4.45Å; F53-A82 VanDerWaalsContact CA-O 3.26Å; F53-A82 WeakPolarHBondContact CA-O 2.92Å; F53-A82 HydrophobicContact CD2-CB 3.76Å; F53-A82 HydrophobicContact CE2-CB 4.15Å |
| 54 | N | 97.6 | Very high | 98 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 178.4 | -73 | -32.2 | 0 | 0 | 0 | 112.6 | V25 L50 K51 I52 K57 H58 | V25-N54 VanDerWaalsContact CG1-OD1 3.26Å; V25-N54 WeakPolarHBondContact CG1-OD1 3.46Å; L50-N54 PolarHBondContact O-N 3.24Å; L50-N54 PolarHBondContact O-ND2 3.2Å; K51-N54 PolarHBondContact O-N 2.95Å; I52-N54 VanDerWaalsContact C-N 3.31Å; I52-N54 PolarHBondContact O-N 2.62Å; N54-K57 PolarHBondContact O-N 2.93Å; N54-H58 WeakPolarHBondContact O-CB 3.48Å; N54-H58 PolarHBondContact O-N 3.18Å |
| 55 | E | 97.9 | Very high | 98.1 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 176.1 | -72.6 | 178.1 | -169.5 | 0 | 0 | 111.5 | K51 I52 H58 K59 | K51-E55 VanDerWaalsContact CE-OE1 3.26Å; K51-E55 WeakPolarHBondContact CE-OE1 3.11Å; K51-E55 WeakPolarHBondContact O-CG 3.43Å; K51-E55 PolarHBondContact O-N 3.24Å; I52-E55 PolarHBondContact O-N 2.95Å; I52-E55 VanDerWaalsContact O-N 3.17Å; E55-H58 PolarHBondContact O-N 2.97Å; E55-K59 WeakPolarHBondContact O-CG 3.27Å; E55-K59 PolarHBondContact O-N 2.62Å; E55-K59 VanDerWaalsContact O-N 3.11Å |
| 56 | N | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 178.4 | -72.6 | -23.4 | 0 | 0 | 0 | 111.9 | I52 F53 H58 K59 I60 A82 L84 F269 | I52-N56 WeakPolarHBondContact CG2-ND2 3.36Å; I52-N56 WeakPolarHBondContact O-CB 3.42Å; I52-N56 PolarHBondContact O-N 3.49Å; F53-N56 PolarHBondContact O-N 3.48Å; N56-H58 VanDerWaalsContact C-N 3.29Å; N56-H58 PolarHBondContact O-N 3.06Å; N56-K59 WeakPolarHBondContact O-CB 3.36Å; N56-K59 PolarHBondContact O-N 2.69Å; N56-K59 VanDerWaalsContact O-N 3.15Å; N56-K59 PolarHBondContact OD1-NZ 3.35Å; N56-I60 WeakPolarHBondContact O-CG1 3.39Å; N56-I60 PolarHBondContact O-N 2.91Å; N56-A82 PolarHBondContact ND2-O 3.37Å; N56-L84 PolarHBondContact ND2-O 2.9Å; N56-L84 VanDerWaalsContact ND2-O 3.13Å; N56-F269 HydrophobicContact CB-CE1 4.45Å; N56-F269 HydrophobicContact CB-CE2 3.99Å; N56-F269 HydrophobicContact CB-CZ 3.68Å |
| 57 | K | 97.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 27% | 0.274 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 173.7 | -168.7 | -171.5 | 179.9 | -148.8 | 0 | 111.8 | E28 F53 N54 I60 A61 V78 | E28-K57 IonicContact OE1-NZ 2.7Å; E28-K57 PolarHBondContact OE1-NZ 3.14Å; E28-K57 IonicContact OE2-NZ 2.95Å; E28-K57 PolarHBondContact OE2-NZ 2.83Å; F53-K57 HydrophobicContact CE1-CD 4.43Å; F53-K57 VanDerWaalsContact O-CB 3.27Å; F53-K57 WeakPolarHBondContact O-CB 3.49Å; F53-K57 PolarHBondContact O-N 2.76Å; N54-K57 PolarHBondContact O-N 2.93Å; K57-I60 PolarHBondContact O-N 2.96Å; K57-A61 WeakPolarHBondContact O-CB 3.43Å; K57-A61 PolarHBondContact O-N 3.5Å; K57-V78 HydrophobicContact CG-CG2 4.32Å |
| 58 | H | 97.5 | Very high | 98.1 | Very high | 128 Ų | 128 | 63.4 Ų | 63.4 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 175.3 | -179.2 | 65.7 | 0 | 0 | 0 | 112 | N54 E55 N56 A61 K62 | N54-H58 WeakPolarHBondContact O-CB 3.48Å; N54-H58 PolarHBondContact O-N 3.18Å; E55-H58 PolarHBondContact O-N 2.97Å; N56-H58 VanDerWaalsContact C-N 3.29Å; N56-H58 PolarHBondContact O-N 3.06Å; H58-A61 PolarHBondContact O-N 3.45Å; H58-K62 WeakPolarHBondContact O-CB 3.42Å; H58-K62 PolarHBondContact O-N 2.84Å |
| 59 | K | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 63.5 Ų | 63.5 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.1 | -66 | 168.4 | -170 | 166.2 | 0 | 111.8 | E55 N56 K62 H63 E265 | E55-K59 WeakPolarHBondContact O-CG 3.27Å; E55-K59 PolarHBondContact O-N 2.62Å; E55-K59 VanDerWaalsContact O-N 3.11Å; N56-K59 WeakPolarHBondContact O-CB 3.36Å; N56-K59 PolarHBondContact O-N 2.69Å; N56-K59 VanDerWaalsContact O-N 3.15Å; N56-K59 PolarHBondContact OD1-NZ 3.35Å; K59-K62 PolarHBondContact O-N 3.02Å; K59-H63 PolarHBondContact O-N 3.34Å; K59-E265 WeakPolarHBondContact CD-OE2 3.3Å; K59-E265 IonicContact NZ-OE1 3.2Å; K59-E265 PolarHBondContact NZ-OE1 2.86Å; K59-E265 IonicContact NZ-OE2 3.33Å |
| 60 | I | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 65.5 Ų | 65.5 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.6 | -50.1 | 175.4 | -70.4 | 162.5 | 0 | 0 | 0 | 110.6 | N56 K57 K62 H63 N64 L76 V78 F269 | N56-I60 WeakPolarHBondContact O-CG1 3.39Å; N56-I60 PolarHBondContact O-N 2.91Å; K57-I60 PolarHBondContact O-N 2.96Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 2.97Å; I60-H63 PolarHBondContact O-N 3.33Å; I60-N64 WeakPolarHBondContact O-CB 3.2Å; I60-N64 PolarHBondContact O-N 2.81Å; I60-L76 HydrophobicContact CB-CB 4.28Å; I60-L76 HydrophobicContact CG1-CB 3.99Å; I60-L76 HydrophobicContact CG1-CD1 4.45Å; I60-L76 HydrophobicContact CG2-CB 3.97Å; I60-V78 HydrophobicContact CD1-CG2 3.86Å; I60-F269 HydrophobicContact CD1-CB 4.13Å; I60-F269 HydrophobicContact CD1-CD1 3.89Å; I60-F269 HydrophobicContact CD1-CD2 4.36Å; I60-F269 HydrophobicContact CD1-CE1 4.45Å; I60-F269 HydrophobicContact CD1-CG 3.85Å; I60-F269 HydrophobicContact CG1-CB 3.97Å; I60-F269 HydrophobicContact CG1-CD2 4.24Å; I60-F269 HydrophobicContact CG1-CG 3.99Å |
| 61 | A | 98.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 70.6 Ų | 70.6 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | K57 H58 N64 Q65 | K57-A61 WeakPolarHBondContact O-CB 3.43Å; K57-A61 PolarHBondContact O-N 3.5Å; H58-A61 PolarHBondContact O-N 3.45Å; A61-N64 PolarHBondContact O-N 2.78Å; A61-Q65 PolarHBondContact O-N 3.18Å |
| 62 | K | 98.4 | Very high | 97.9 | Very high | 137 Ų | 137 | 65.8 Ų | 65.8 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 177.5 | -174.5 | 178.3 | -179.8 | -179.8 | 0 | 112.5 | H58 K59 I60 R66 | H58-K62 WeakPolarHBondContact O-CB 3.42Å; H58-K62 PolarHBondContact O-N 2.84Å; K59-K62 PolarHBondContact O-N 3.02Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 2.97Å; K62-R66 PolarHBondContact O-N 2.81Å |
| 63 | H | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 174.6 | -176.8 | 93.5 | 0 | 0 | 0 | 111.5 | K59 I60 Q65 R66 F67 F74 L76 | K59-H63 PolarHBondContact O-N 3.34Å; I60-H63 PolarHBondContact O-N 3.33Å; H63-Q65 VanDerWaalsContact C-N 3.27Å; H63-Q65 PolarHBondContact O-N 3.18Å; H63-R66 WeakPolarHBondContact O-CA 3.07Å; H63-R66 WeakPolarHBondContact O-CB 3.39Å; H63-R66 PolarHBondContact O-N 3.36Å; H63-F67 PolarHBondContact O-N 3.38Å; H63-F74 PolarHBondContact CD2-O 3.08Å; H63-F74 AromaticContact CE1-CE1 3.85Å; H63-F74 AromaticContact CE1-CE2 3.55Å; H63-F74 AromaticContact CE1-CZ 3.39Å; H63-F74 WeakPolarHBondContact CE1-CZ 3.1Å; H63-F74 AromaticContact NE2-CD2 3.68Å; H63-F74 AromaticContact NE2-CE2 3.56Å; H63-F74 AromaticContact NE2-CZ 3.82Å; H63-F74 PolarHBondContact NE2-O 3.02Å; H63-L76 HydrophobicContact CB-CD1 3.55Å; H63-L76 HydrophobicContact CB-CG 4.05Å |
| 64 | N | 98.6 | Very high | 97.9 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.8 | -28.5 | -179.7 | -71.7 | -10.7 | 0 | 0 | 0 | 112.7 | I60 A61 F67 A68 K75 L76 | I60-N64 WeakPolarHBondContact O-CB 3.2Å; I60-N64 PolarHBondContact O-N 2.81Å; A61-N64 PolarHBondContact O-N 2.78Å; N64-F67 WeakPolarHBondContact O-CB 3.49Å; N64-F67 PolarHBondContact O-N 3.36Å; N64-A68 PolarHBondContact O-N 3.46Å; N64-K75 WeakPolarHBondContact OD1-CA 3.23Å; N64-L76 PolarHBondContact ND2-O 2.95Å; N64-L76 PolarHBondContact OD1-N 2.67Å; N64-L76 PolarHBondContact OD1-O 2.88Å |
| 65 | Q | 98.5 | Very high | 97.9 | Very high | 116 Ų | 116 | 67.3 Ų | 67.3 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 167.6 | -176.7 | -176.4 | -10.1 | 0 | 0 | 111.1 | A61 H63 F67 A68 E69 | A61-Q65 PolarHBondContact O-N 3.18Å; H63-Q65 VanDerWaalsContact C-N 3.27Å; H63-Q65 PolarHBondContact O-N 3.18Å; Q65-F67 VanDerWaalsContact C-N 3.27Å; Q65-F67 PolarHBondContact O-N 2.82Å; Q65-A68 PolarHBondContact O-N 2.71Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.19Å; Q65-E69 PolarHBondContact NE2-OE1 3.3Å; Q65-E69 VanDerWaalsContact O-CG 3.31Å; Q65-E69 WeakPolarHBondContact O-CG 3.22Å; Q65-E69 PolarHBondContact O-N 2.99Å |
| 66 | R | 98.3 | Very high | 97.9 | Very high | 113 Ų | 113 | 63.7 Ų | 63.7 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 175.8 | -65.8 | 174 | 63.9 | -148.7 | -0.2 | 111.9 | K62 H63 E69 G70 K71 V72 | K62-R66 PolarHBondContact O-N 2.81Å; H63-R66 WeakPolarHBondContact O-CA 3.07Å; H63-R66 WeakPolarHBondContact O-CB 3.39Å; H63-R66 PolarHBondContact O-N 3.36Å; R66-E69 CarbonylContact O-C 3.6Å; R66-E69 PolarHBondContact O-N 3.34Å; R66-G70 PolarHBondContact O-N 3.04Å; R66-K71 HydrophobicContact CB-CB 4.23Å; R66-K71 WeakPolarHBondContact O-CB 3.29Å; R66-K71 PolarHBondContact O-N 2.95Å; R66-V72 HydrophobicContact CB-CG1 4.48Å; R66-V72 HydrophobicContact CB-CG2 4.1Å |
| 67 | F | 97.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 29% | 0.285 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.4 | 176.4 | -90.1 | 0 | 0 | 0 | 111.1 | H63 N64 Q65 E69 G70 V72 F74 K75 | H63-F67 PolarHBondContact O-N 3.38Å; N64-F67 WeakPolarHBondContact O-CB 3.49Å; N64-F67 PolarHBondContact O-N 3.36Å; Q65-F67 VanDerWaalsContact C-N 3.27Å; Q65-F67 PolarHBondContact O-N 2.82Å; F67-E69 PolarHBondContact O-N 3.41Å; F67-G70 PolarHBondContact O-N 3.14Å; F67-V72 VanDerWaalsContact CA-CG2 3.48Å; F67-V72 HydrophobicContact CB-CG2 3.74Å; F67-V72 HydrophobicContact CD2-CG2 4.45Å; F67-V72 WeakPolarHBondContact CD2-O 3.32Å; F67-F74 VanDerWaalsContact CD2-C 3.46Å; F67-F74 VanDerWaalsContact CD2-O 3.3Å; F67-F74 WeakPolarHBondContact CD2-O 3.26Å; F67-K75 HydrophobicContact CB-CG 4.35Å; F67-K75 HydrophobicContact CD1-CD 3.95Å; F67-K75 VanDerWaalsContact CD1-CE 3.41Å; F67-K75 HydrophobicContact CD1-CG 3.51Å; F67-K75 HydrophobicContact CD2-CG 3.9Å; F67-K75 HydrophobicContact CE1-CD 3.94Å; F67-K75 HydrophobicContact CE1-CG 3.71Å; F67-K75 HydrophobicContact CE2-CG 4.03Å; F67-K75 HydrophobicContact CG-CG 3.62Å; F67-K75 HydrophobicContact CZ-CD 4.46Å; F67-K75 HydrophobicContact CZ-CG 3.95Å |
| 68 | A | 97.8 | Very high | 98 | Very high | 86 Ų | 86 | 64.8 Ų | 64.8 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.4 | -28.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N64 Q65 G70 | N64-A68 PolarHBondContact O-N 3.46Å; Q65-A68 PolarHBondContact O-N 2.71Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 2.85Å |
| 69 | E | 97.7 | Very high | 97.9 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.6 | 173.1 | -67.1 | 169.3 | -173.6 | 0 | 0 | 113.6 | Q65 R66 F67 K71 | Q65-E69 WeakPolarHBondContact CG-OE1 3.19Å; Q65-E69 PolarHBondContact NE2-OE1 3.3Å; Q65-E69 VanDerWaalsContact O-CG 3.31Å; Q65-E69 WeakPolarHBondContact O-CG 3.22Å; Q65-E69 PolarHBondContact O-N 2.99Å; R66-E69 CarbonylContact O-C 3.6Å; R66-E69 PolarHBondContact O-N 3.34Å; F67-E69 PolarHBondContact O-N 3.41Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 HydrophobicContact CB-CD 4.1Å; E69-K71 HydrophobicContact CB-CG 4.06Å; E69-K71 PolarHBondContact O-N 3.33Å; E69-K71 WeakPolarHBondContact OE2-CD 3.46Å; E69-K71 WeakPolarHBondContact OE2-CE 3.45Å; E69-K71 IonicContact OE2-NZ 3.88Å; E69-K71 PolarHBondContact OE2-NZ 3.49Å |
| 70 | G | 95.9 | Very high | 97.9 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 18.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R66 F67 A68 | R66-G70 PolarHBondContact O-N 3.04Å; F67-G70 PolarHBondContact O-N 3.14Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 2.85Å |
| 71 | K | 97 | Very high | 97.8 | Very high | 134 Ų | 134 | 57 Ų | 57 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -90.7 | -12.7 | -175.8 | -63.9 | 177.3 | 178.8 | 166.5 | 0 | 114.1 | R66 E69 | R66-K71 HydrophobicContact CB-CB 4.23Å; R66-K71 WeakPolarHBondContact O-CB 3.29Å; R66-K71 PolarHBondContact O-N 2.95Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 HydrophobicContact CB-CD 4.1Å; E69-K71 HydrophobicContact CB-CG 4.06Å; E69-K71 PolarHBondContact O-N 3.33Å; E69-K71 WeakPolarHBondContact OE2-CD 3.46Å; E69-K71 WeakPolarHBondContact OE2-CE 3.45Å; E69-K71 IonicContact OE2-NZ 3.88Å; E69-K71 PolarHBondContact OE2-NZ 3.49Å |
| 72 | V | 97.2 | Very high | 97.8 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -143.9 | 154.9 | 176.7 | -64.6 | 0 | 0 | 0 | 0 | 108.9 | R66 F67 | R66-V72 HydrophobicContact CB-CG1 4.48Å; R66-V72 HydrophobicContact CB-CG2 4.1Å; F67-V72 VanDerWaalsContact CA-CG2 3.48Å; F67-V72 HydrophobicContact CB-CG2 3.74Å; F67-V72 HydrophobicContact CD2-CG2 4.45Å; F67-V72 WeakPolarHBondContact CD2-O 3.32Å |
| 73 | S | 97.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -95.1 | -0.4 | -170.8 | 49.2 | 0 | 0 | 0 | 0 | 114.9 | G273 V274 E301 | S73-G273 WeakPolarHBondContact O-CA 3.1Å; S73-V274 WeakPolarHBondContact CB-O 3.29Å; S73-V274 PolarHBondContact O-N 3.11Å; S73-V274 PolarHBondContact OG-O 3.37Å; S73-E301 WeakPolarHBondContact CB-OE2 3.16Å |
| 74 | F | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.9 | -175.3 | 67.7 | -80.2 | 0 | 0 | 0 | 112.6 | H63 F67 L76 Y270 E272 Y275 N276 | H63-F74 PolarHBondContact CD2-O 3.08Å; H63-F74 AromaticContact CE1-CE1 3.85Å; H63-F74 AromaticContact CE1-CE2 3.55Å; H63-F74 AromaticContact CE1-CZ 3.39Å; H63-F74 WeakPolarHBondContact CE1-CZ 3.1Å; H63-F74 AromaticContact NE2-CD2 3.68Å; H63-F74 AromaticContact NE2-CE2 3.56Å; H63-F74 AromaticContact NE2-CZ 3.82Å; H63-F74 PolarHBondContact NE2-O 3.02Å; F67-F74 VanDerWaalsContact CD2-C 3.46Å; F67-F74 VanDerWaalsContact CD2-O 3.3Å; F67-F74 WeakPolarHBondContact CD2-O 3.26Å; F74-L76 HydrophobicContact CD2-CD2 4.04Å; F74-L76 HydrophobicContact CE2-CD2 3.69Å; F74-Y270 HydrophobicContact CB-CD2 4.33Å; F74-Y270 HydrophobicContact CB-CE2 4.14Å; F74-Y270 AromaticContact CD2-CD2 3.92Å; F74-Y270 HydrophobicContact CD2-CD2 3.92Å; F74-Y270 HydrophobicContact CG-CD2 4.42Å; F74-E272 CarbonylContact C-O 3.39Å; F74-E272 WeakPolarHBondContact CA-O 3.46Å; F74-E272 WeakPolarHBondContact CB-O 3.47Å; F74-Y275 HydrophobicContact CD1-CD2 4.4Å; F74-Y275 AromaticContact CD2-CD2 3.9Å; F74-Y275 HydrophobicContact CD2-CD2 3.9Å; F74-Y275 HydrophobicContact CD2-CE2 4.44Å; F74-Y275 HydrophobicContact CE1-CD2 4.16Å; F74-Y275 HydrophobicContact CE1-CE2 4.46Å; F74-Y275 AromaticContact CE2-CD2 3.58Å; F74-Y275 HydrophobicContact CE2-CD2 3.58Å; F74-Y275 AromaticContact CE2-CE2 3.67Å; F74-Y275 HydrophobicContact CE2-CE2 3.67Å; F74-Y275 HydrophobicContact CG-CD2 4.28Å; F74-Y275 AromaticContact CZ-CD2 3.73Å; F74-Y275 HydrophobicContact CZ-CD2 3.73Å; F74-Y275 AromaticContact CZ-CE2 3.69Å; F74-Y275 HydrophobicContact CZ-CE2 3.69Å; F74-N276 WeakPolarHBondContact CE1-O 3.33Å |
| 75 | K | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 156.1 | 175.3 | -64.2 | -169.4 | -160.8 | 151 | 0 | 112 | N64 F67 S271 E272 | N64-K75 WeakPolarHBondContact OD1-CA 3.23Å; F67-K75 HydrophobicContact CB-CG 4.35Å; F67-K75 HydrophobicContact CD1-CD 3.95Å; F67-K75 VanDerWaalsContact CD1-CE 3.41Å; F67-K75 HydrophobicContact CD1-CG 3.51Å; F67-K75 HydrophobicContact CD2-CG 3.9Å; F67-K75 HydrophobicContact CE1-CD 3.94Å; F67-K75 HydrophobicContact CE1-CG 3.71Å; F67-K75 HydrophobicContact CE2-CG 4.03Å; F67-K75 HydrophobicContact CG-CG 3.62Å; F67-K75 HydrophobicContact CZ-CD 4.46Å; F67-K75 HydrophobicContact CZ-CG 3.95Å; K75-S271 PolarHBondContact O-N 3.29Å; K75-E272 HydrophobicContact CB-CG 3.96Å; K75-E272 HydrophobicContact CD-CG 4.25Å; K75-E272 VanDerWaalsContact CD-OE1 3.23Å; K75-E272 WeakPolarHBondContact CD-OE1 3.32Å; K75-E272 VanDerWaalsContact CE-OE1 3.26Å; K75-E272 WeakPolarHBondContact CE-OE1 3.44Å; K75-E272 HydrophobicContact CG-CG 4.25Å; K75-E272 PolarHBondContact N-O 2.91Å; K75-E272 IonicContact NZ-OE1 2.67Å; K75-E272 PolarHBondContact NZ-OE1 2.85Å |
| 76 | L | 98.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 153.9 | 169 | -54.5 | -177.7 | 0 | 0 | 0 | 110.6 | I60 H63 N64 F74 S266 F269 | I60-L76 HydrophobicContact CB-CB 4.28Å; I60-L76 HydrophobicContact CG1-CB 3.99Å; I60-L76 HydrophobicContact CG1-CD1 4.45Å; I60-L76 HydrophobicContact CG2-CB 3.97Å; H63-L76 HydrophobicContact CB-CD1 3.55Å; H63-L76 HydrophobicContact CB-CG 4.05Å; N64-L76 PolarHBondContact ND2-O 2.95Å; N64-L76 PolarHBondContact OD1-N 2.67Å; N64-L76 PolarHBondContact OD1-O 2.88Å; F74-L76 HydrophobicContact CD2-CD2 4.04Å; F74-L76 HydrophobicContact CE2-CD2 3.69Å; L76-S266 WeakPolarHBondContact CD2-O 3.39Å; L76-F269 CarbonylContact C-O 3.6Å; L76-F269 WeakPolarHBondContact CA-O 3.25Å; L76-F269 HydrophobicContact CB-CB 3.96Å; L76-F269 WeakPolarHBondContact CB-O 3.47Å; L76-F269 HydrophobicContact CD1-CB 4.27Å; L76-F269 HydrophobicContact CD2-CB 4.13Å; L76-F269 HydrophobicContact CG-CB 4.33Å |
| 77 | A | 98.3 | Very high | 97.4 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 28% | 0.281 | 25% | 0.248 | S | C | . | . | trans | -139.2 | 155 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | N79 F269 | A77-N79 PolarHBondContact O-N 3.43Å; A77-F269 PolarHBondContact N-O 3.49Å | ||
| 78 | V | 97.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | trans | -64.6 | 132.3 | 167.6 | 172.9 | 0 | 0 | 0 | 0 | 107.7 | F32 F53 K57 I60 A82 | F32-V78 HydrophobicContact CD2-CG1 3.77Å; F32-V78 HydrophobicContact CE2-CG1 4.18Å; F53-V78 HydrophobicContact CE2-CG1 3.74Å; F53-V78 HydrophobicContact CZ-CG1 4.45Å; K57-V78 HydrophobicContact CG-CG2 4.32Å; I60-V78 HydrophobicContact CD1-CG2 3.86Å; V78-A82 HydrophobicContact CG1-CB 3.89Å | ||
| 79 | N | 97.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | trans | -139.9 | 179.8 | 175.9 | 63.7 | 36.5 | 0 | 0 | 0 | 108.8 | F32 A77 Y81 A82 Q268 T313 | F32-N79 VanDerWaalsContact CE2-O 3.31Å; F32-N79 WeakPolarHBondContact CE2-O 3.34Å; A77-N79 PolarHBondContact O-N 3.43Å; N79-Y81 PolarHBondContact O-N 2.85Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.49Å; N79-Y81 WeakPolarHBondContact OD1-CD2 3.31Å; N79-Y81 PolarHBondContact OD1-N 3.15Å; N79-A82 WeakPolarHBondContact O-CB 3.36Å; N79-A82 PolarHBondContact O-N 2.93Å; N79-Q268 PolarHBondContact ND2-O 3.04Å; N79-T313 WeakPolarHBondContact CB-O 3.35Å | ||
| 80 | K | 96.7 | Very high | 97 | Very high | 35 Ų | 35 | 39 Ų | 39 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -6.4 | -177 | 68.3 | 175.2 | -176 | 158 | 0 | 116.3 | H36 K38 D141 W310 | H36-K80 HydrophobicContact CB-CB 3.88Å; H36-K80 PolarHBondContact NE2-N 3.43Å; K38-K80 WeakPolarHBondContact CE-O 3.4Å; K38-K80 PolarHBondContact NZ-O 2.72Å; K80-D141 IonicContact NZ-OD1 2.9Å; K80-D141 PolarHBondContact NZ-OD1 3.36Å; K80-D141 IonicContact NZ-OD2 2.63Å; K80-D141 PolarHBondContact NZ-OD2 3.4Å; K80-W310 WeakPolarHBondContact CE-O 3.36Å |
| 81 | Y | 97.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 4.2 | 177.1 | -48.8 | -65.3 | 0 | 0 | 0 | 113.4 | N79 D83 L84 F89 M93 Q268 W310 W314 | N79-Y81 PolarHBondContact O-N 2.85Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.49Å; N79-Y81 WeakPolarHBondContact OD1-CD2 3.31Å; N79-Y81 PolarHBondContact OD1-N 3.15Å; Y81-D83 PolarHBondContact O-N 3.26Å; Y81-L84 HydrophobicContact CD1-CD1 4.13Å; Y81-L84 PolarHBondContact O-N 3.07Å; Y81-L84 VanDerWaalsContact O-N 3.13Å; Y81-F89 HydrophobicContact CD1-CD2 4.15Å; Y81-F89 HydrophobicContact CD1-CE2 4.13Å; Y81-F89 HydrophobicContact CD2-CD2 4.48Å; Y81-F89 AromaticContact CD2-CE2 3.84Å; Y81-F89 HydrophobicContact CD2-CE2 3.84Å; Y81-F89 HydrophobicContact CE2-CE2 4.27Å; Y81-F89 AromaticContact CG-CD2 3.95Å; Y81-F89 HydrophobicContact CG-CD2 3.95Å; Y81-F89 AromaticContact CG-CE2 3.75Å; Y81-F89 HydrophobicContact CG-CE2 3.75Å; Y81-M93 HydrophobicContact CE1-CE 3.89Å; Y81-M93 HydrophobicContact CE1-CG 4.35Å; Y81-M93 HydrophobicContact CE1-SD 3.8Å; Y81-M93 VanDerWaalsContact OH-CE 3.29Å; Y81-M93 WeakPolarHBondContact OH-CE 3.2Å; Y81-Q268 PolarHBondContact O-NE2 2.03Å; Y81-W310 HydrophobicContact CE2-CB 4.09Å; Y81-W310 HydrophobicContact CE2-CD2 4.36Å; Y81-W310 HydrophobicContact CE2-CE3 4.21Å; Y81-W310 HydrophobicContact CE2-CG 4.34Å; Y81-W310 VanDerWaalsContact OH-CB 3.26Å; Y81-W310 WeakPolarHBondContact OH-CB 3.24Å; Y81-W310 PolarHBondContact OH-O 3.4Å; Y81-W314 HydrophobicContact CE2-CB 4.46Å |
| 82 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F32 F53 N56 V78 N79 F269 | F32-A82 HydrophobicContact CE2-CB 3.79Å; F32-A82 HydrophobicContact CZ-CB 4.15Å; F53-A82 VanDerWaalsContact CA-O 3.26Å; F53-A82 WeakPolarHBondContact CA-O 2.92Å; F53-A82 HydrophobicContact CD2-CB 3.76Å; F53-A82 HydrophobicContact CE2-CB 4.15Å; N56-A82 PolarHBondContact ND2-O 3.37Å; V78-A82 HydrophobicContact CG1-CB 3.89Å; N79-A82 WeakPolarHBondContact O-CB 3.36Å; N79-A82 PolarHBondContact O-N 2.93Å; A82-F269 HydrophobicContact CB-CE1 4.18Å |
| 83 | D | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.2 | 176.2 | 61.9 | -32.3 | 0 | 0 | 0 | 114.3 | W29 F32 K38 Y40 R49 Y81 | W29-D83 HydrophobicContact CH2-CB 4.29Å; W29-D83 HydrophobicContact CZ3-CB 4.42Å; F32-D83 HydrophobicContact CE1-CB 3.97Å; F32-D83 HydrophobicContact CZ-CB 4.06Å; K38-D83 WeakPolarHBondContact CD-OD2 3.19Å; K38-D83 WeakPolarHBondContact CE-OD2 3.44Å; K38-D83 IonicContact NZ-OD1 3.11Å; K38-D83 PolarHBondContact NZ-OD1 2.73Å; K38-D83 IonicContact NZ-OD2 2.55Å; K38-D83 PolarHBondContact NZ-OD2 3.4Å; Y40-D83 PolarHBondContact OH-OD2 3.18Å; R49-D83 HydrophobicContact CB-CB 4.23Å; R49-D83 WeakPolarHBondContact CD-O 3.29Å; R49-D83 PolarHBondContact NH1-O 2.98Å; R49-D83 VanDerWaalsContact NH1-O 3.13Å; Y81-D83 PolarHBondContact O-N 3.26Å |
| 84 | L | 97.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -99.6 | 139.7 | -179.6 | -58.6 | -177.8 | 0 | 0 | 0 | 111.9 | I52 N56 Y81 F89 L92 | I52-L84 VanDerWaalsContact CG2-C 3.43Å; I52-L84 VanDerWaalsContact CG2-O 3.3Å; I52-L84 WeakPolarHBondContact CG2-O 3.35Å; N56-L84 PolarHBondContact ND2-O 2.9Å; N56-L84 VanDerWaalsContact ND2-O 3.13Å; Y81-L84 HydrophobicContact CD1-CD1 4.13Å; Y81-L84 PolarHBondContact O-N 3.07Å; Y81-L84 VanDerWaalsContact O-N 3.13Å; L84-F89 HydrophobicContact CB-CB 4.34Å; L84-L92 HydrophobicContact CD1-CD1 4.35Å |
| 85 | L | 97.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | trans | -63.9 | 149.4 | 165.5 | -64.5 | 162 | 0 | 0 | 0 | 108.8 | F48 I52 H87 E88 F89 | F48-L85 HydrophobicContact CE1-CD1 4.23Å; F48-L85 HydrophobicContact CZ-CD1 3.79Å; F48-L85 HydrophobicContact CZ-CG 4.45Å; I52-L85 HydrophobicContact CD1-CD1 4.35Å; I52-L85 HydrophobicContact CD1-CD2 3.91Å; I52-L85 HydrophobicContact CD1-CG 3.69Å; I52-L85 HydrophobicContact CG1-CD2 3.78Å; I52-L85 HydrophobicContact CG1-CG 4.13Å; L85-H87 VanDerWaalsContact C-N 3.27Å; L85-H87 WeakPolarHBondContact CD1-CE1 3.35Å; L85-H87 PolarHBondContact O-N 2.98Å; L85-E88 HydrophobicContact CB-CB 4.32Å; L85-E88 HydrophobicContact CB-CG 4Å; L85-E88 VanDerWaalsContact CB-OE2 3.26Å; L85-E88 WeakPolarHBondContact CB-OE2 3.38Å; L85-E88 HydrophobicContact CD1-CG 4.31Å; L85-E88 WeakPolarHBondContact CG-OE2 3.44Å; L85-E88 PolarHBondContact N-OE2 3.28Å; L85-E88 WeakPolarHBondContact O-CB 3.37Å; L85-E88 PolarHBondContact O-N 3.05Å; L85-E88 VanDerWaalsContact O-N 3.1Å; L85-F89 PolarHBondContact O-N 2.88Å | ||
| 86 | H | 96.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 18% | 0.181 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -38.5 | -178.1 | -178.5 | 54.7 | 0 | 0 | 0 | 113.4 | F89 R90 S263 E265 Q268 | H86-F89 PolarHBondContact O-N 3.1Å; H86-R90 WeakPolarHBondContact NE2-CD 3.5Å; H86-R90 WeakPolarHBondContact O-CG 3.5Å; H86-R90 PolarHBondContact O-N 3.27Å; H86-S263 PolarHBondContact CE1-O 3.36Å; H86-S263 PolarHBondContact NE2-O 3.23Å; H86-E265 HydrophobicContact CB-CG 4.01Å; H86-E265 PolarHBondContact CE1-N 3.08Å; H86-E265 WeakPolarHBondContact ND1-CG 3.42Å; H86-Q268 PolarHBondContact ND1-OE1 2.98Å |
| 87 | H | 95.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 38 Ų | 38 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71 | -37.6 | 176.9 | 65.4 | -92.3 | 0 | 0 | 0 | 112.9 | L85 F89 R90 Q91 | L85-H87 VanDerWaalsContact C-N 3.27Å; L85-H87 WeakPolarHBondContact CD1-CE1 3.35Å; L85-H87 PolarHBondContact O-N 2.98Å; H87-F89 VanDerWaalsContact C-N 3.33Å; H87-R90 PolarHBondContact O-N 2.97Å; H87-Q91 WeakPolarHBondContact O-CB 3.47Å; H87-Q91 PolarHBondContact O-N 3Å |
| 88 | E | 95.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 37 Ų | 37 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 173 | -68.1 | 175.7 | 120.4 | 0 | 0 | 109.6 | R49 L85 Q91 L92 | R49-E88 IonicContact CZ-OE1 2.65Å; R49-E88 IonicContact CZ-OE2 2.77Å; R49-E88 IonicContact NH1-OE1 3.2Å; R49-E88 PolarHBondContact NH1-OE1 3Å; R49-E88 IonicContact NH1-OE2 3.59Å; R49-E88 PolarHBondContact NH1-OE2 3.19Å; R49-E88 IonicContact NH2-OE1 2.69Å; R49-E88 PolarHBondContact NH2-OE1 3.39Å; R49-E88 IonicContact NH2-OE2 2.59Å; L85-E88 HydrophobicContact CB-CB 4.32Å; L85-E88 HydrophobicContact CB-CG 4Å; L85-E88 VanDerWaalsContact CB-OE2 3.26Å; L85-E88 WeakPolarHBondContact CB-OE2 3.38Å; L85-E88 HydrophobicContact CD1-CG 4.31Å; L85-E88 WeakPolarHBondContact CG-OE2 3.44Å; L85-E88 PolarHBondContact N-OE2 3.28Å; L85-E88 WeakPolarHBondContact O-CB 3.37Å; L85-E88 PolarHBondContact O-N 3.05Å; L85-E88 VanDerWaalsContact O-N 3.1Å; E88-Q91 PolarHBondContact O-N 3.03Å; E88-L92 WeakPolarHBondContact O-CB 3.46Å; E88-L92 WeakPolarHBondContact O-CD1 3.34Å; E88-L92 WeakPolarHBondContact O-CG 3.49Å; E88-L92 PolarHBondContact O-N 2.81Å; E88-L92 VanDerWaalsContact O-N 3.08Å |
| 89 | F | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -52.3 | 177.8 | 170.7 | -96.9 | 0 | 0 | 0 | 112.2 | Y81 L84 L85 H86 H87 Q91 L92 M93 Q268 W310 | Y81-F89 HydrophobicContact CD1-CD2 4.15Å; Y81-F89 HydrophobicContact CD1-CE2 4.13Å; Y81-F89 HydrophobicContact CD2-CD2 4.48Å; Y81-F89 AromaticContact CD2-CE2 3.84Å; Y81-F89 HydrophobicContact CD2-CE2 3.84Å; Y81-F89 HydrophobicContact CE2-CE2 4.27Å; Y81-F89 AromaticContact CG-CD2 3.95Å; Y81-F89 HydrophobicContact CG-CD2 3.95Å; Y81-F89 AromaticContact CG-CE2 3.75Å; Y81-F89 HydrophobicContact CG-CE2 3.75Å; L84-F89 HydrophobicContact CB-CB 4.34Å; L85-F89 PolarHBondContact O-N 2.88Å; H86-F89 PolarHBondContact O-N 3.1Å; H87-F89 VanDerWaalsContact C-N 3.33Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 3.07Å; F89-L92 PolarHBondContact O-N 2.89Å; F89-M93 HydrophobicContact CD2-CB 4.39Å; F89-M93 HydrophobicContact CD2-CG 3.6Å; F89-M93 HydrophobicContact CE2-CB 4.07Å; F89-M93 HydrophobicContact CE2-CG 3.5Å; F89-M93 HydrophobicContact CG-CG 4.34Å; F89-M93 HydrophobicContact CZ-CB 4.2Å; F89-M93 HydrophobicContact CZ-CG 4.14Å; F89-M93 WeakPolarHBondContact O-CB 3.5Å; F89-M93 WeakPolarHBondContact O-CG 3.39Å; F89-M93 PolarHBondContact O-N 3.41Å; F89-Q268 HydrophobicContact CD1-CB 3.97Å; F89-Q268 HydrophobicContact CD1-CG 3.86Å; F89-Q268 HydrophobicContact CD2-CG 3.78Å; F89-Q268 HydrophobicContact CE1-CB 3.57Å; F89-Q268 HydrophobicContact CE1-CG 3.79Å; F89-Q268 HydrophobicContact CE2-CB 4.26Å; F89-Q268 HydrophobicContact CE2-CG 3.68Å; F89-Q268 HydrophobicContact CG-CB 4.47Å; F89-Q268 VanDerWaalsContact CG-CD 3.49Å; F89-Q268 HydrophobicContact CG-CG 3.85Å; F89-Q268 HydrophobicContact CZ-CB 3.71Å; F89-Q268 HydrophobicContact CZ-CG 3.66Å; F89-W310 AromaticContact CE1-CH2 3.99Å; F89-W310 HydrophobicContact CE1-CH2 3.99Å; F89-W310 HydrophobicContact CE1-CZ3 4.41Å; F89-W310 HydrophobicContact CE2-CH2 4.32Å; F89-W310 HydrophobicContact CE2-CZ3 4.26Å; F89-W310 HydrophobicContact CZ-CE3 4.19Å; F89-W310 AromaticContact CZ-CH2 3.35Å; F89-W310 HydrophobicContact CZ-CH2 3.35Å; F89-W310 AromaticContact CZ-CZ2 3.99Å; F89-W310 HydrophobicContact CZ-CZ2 3.99Å; F89-W310 AromaticContact CZ-CZ3 3.48Å; F89-W310 HydrophobicContact CZ-CZ3 3.48Å; F89-W310 VanDerWaalsContact CZ-CZ3 3.48Å |
| 90 | R | 94.6 | Very high | 95.1 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 37% | 0.366 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.1 | -44.7 | -179.4 | -71.2 | -169.5 | -57.9 | -170.4 | 8.5 | 112.1 | H86 H87 L92 N94 S263 | H86-R90 WeakPolarHBondContact NE2-CD 3.5Å; H86-R90 WeakPolarHBondContact O-CG 3.5Å; H86-R90 PolarHBondContact O-N 3.27Å; H87-R90 PolarHBondContact O-N 2.97Å; R90-L92 PolarHBondContact O-N 3.29Å; R90-N94 VanDerWaalsContact O-CB 3.32Å; R90-N94 WeakPolarHBondContact O-CB 3.39Å; R90-N94 PolarHBondContact O-N 3.03Å; R90-N94 VanDerWaalsContact O-N 3.1Å; R90-S263 VanDerWaalsContact CD-O 3.29Å; R90-S263 WeakPolarHBondContact CD-O 3.31Å; R90-S263 PolarHBondContact NH1-O 2.84Å |
| 91 | Q | 92.5 | Very high | 95 | Very high | 163 Ų | 163 | 38.8 Ų | 38.8 | 76% | 0.762 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.9 | -33.6 | -179.8 | -175 | 176.7 | 0.4 | 0 | 0 | 112.3 | H87 E88 F89 | H87-Q91 WeakPolarHBondContact O-CB 3.47Å; H87-Q91 PolarHBondContact O-N 3Å; E88-Q91 PolarHBondContact O-N 3.03Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 3.07Å |
| 92 | L | 91.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 29% | 0.288 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -83.4 | -39.6 | -178.4 | -70 | 168.8 | 0 | 0 | 0 | 113.2 | L84 E88 F89 R90 C145 G146 | L84-L92 HydrophobicContact CD1-CD1 4.35Å; E88-L92 WeakPolarHBondContact O-CB 3.46Å; E88-L92 WeakPolarHBondContact O-CD1 3.34Å; E88-L92 WeakPolarHBondContact O-CG 3.49Å; E88-L92 PolarHBondContact O-N 2.81Å; E88-L92 VanDerWaalsContact O-N 3.08Å; F89-L92 PolarHBondContact O-N 2.89Å; R90-L92 PolarHBondContact O-N 3.29Å; L92-C145 CarbonylContact O-C 3.53Å; L92-G146 PolarHBondContact O-N 2.78Å |
| 93 | M | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -99.8 | -23.7 | -165.7 | -57.3 | -49.7 | -57.9 | 0 | 0 | 113.7 | Y81 F89 Q142 W310 | Y81-M93 HydrophobicContact CE1-CE 3.89Å; Y81-M93 HydrophobicContact CE1-CG 4.35Å; Y81-M93 HydrophobicContact CE1-SD 3.8Å; Y81-M93 VanDerWaalsContact OH-CE 3.29Å; Y81-M93 WeakPolarHBondContact OH-CE 3.2Å; F89-M93 HydrophobicContact CD2-CB 4.39Å; F89-M93 HydrophobicContact CD2-CG 3.6Å; F89-M93 HydrophobicContact CE2-CB 4.07Å; F89-M93 HydrophobicContact CE2-CG 3.5Å; F89-M93 HydrophobicContact CG-CG 4.34Å; F89-M93 HydrophobicContact CZ-CB 4.2Å; F89-M93 HydrophobicContact CZ-CG 4.14Å; F89-M93 WeakPolarHBondContact O-CB 3.5Å; F89-M93 WeakPolarHBondContact O-CG 3.39Å; F89-M93 PolarHBondContact O-N 3.41Å; M93-Q142 HydrophobicContact CE-CG 3.64Å; M93-Q142 PolarHBondContact O-NE2 2.77Å; M93-W310 HydrophobicContact CB-CZ2 3.76Å; M93-W310 HydrophobicContact CE-CD2 4.27Å; M93-W310 HydrophobicContact CE-CG 3.9Å |
| 94 | N | 95.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | trans | -104.8 | 105.3 | -172.6 | -61.5 | 2.8 | 0 | 0 | 0 | 109.2 | R90 A262 D286 | R90-N94 VanDerWaalsContact O-CB 3.32Å; R90-N94 WeakPolarHBondContact O-CB 3.39Å; R90-N94 PolarHBondContact O-N 3.03Å; R90-N94 VanDerWaalsContact O-N 3.1Å; N94-A262 PolarHBondContact ND2-O 2.63Å; N94-D286 CarbonylContact C-O 3.59Å; N94-D286 WeakPolarHBondContact CA-O 3.11Å; N94-D286 HydrophobicContact CB-CB 4.04Å; N94-D286 VanDerWaalsContact CB-O 3.3Å; N94-D286 WeakPolarHBondContact CB-O 3.26Å; N94-D286 PolarHBondContact ND2-OD1 3.07Å; N94-D286 PolarHBondContact ND2-OD2 2.85Å | ||
| 95 | G | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | trans | -116.8 | 7.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G146 C148 G190 G191 D286 | G95-G146 WeakPolarHBondContact CA-O 2.87Å; G95-C148 VanDerWaalsContact CA-SG 3.59Å; G95-C148 PolarHBondContact N-SG 3.49Å; G95-G190 CarbonylContact O-C 3.59Å; G95-G190 WeakPolarHBondContact O-CA 3.5Å; G95-G191 PolarHBondContact O-N 2.83Å; G95-D286 PolarHBondContact N-O 3.26Å; G95-D286 VanDerWaalsContact N-O 3.16Å | ||
| 96 | F | 95.9 | Very high | 94 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -84.1 | 126.4 | 176 | 178.6 | -100.7 | 0 | 0 | 0 | 110.4 | Y98 H101 L192 M193 A259 L285 D286 A335 | F96-Y98 AromaticContact CE1-CD2 3.64Å; F96-Y98 HydrophobicContact CE1-CD2 3.64Å; F96-Y98 HydrophobicContact CE1-CG 4.02Å; F96-Y98 HydrophobicContact CZ-CD2 4.18Å; F96-Y98 PolarHBondContact O-N 3.17Å; F96-H101 HydrophobicContact CZ-CB 4.2Å; F96-L192 HydrophobicContact CD2-CD2 3.91Å; F96-L192 HydrophobicContact CE2-CD2 3.5Å; F96-L192 HydrophobicContact CZ-CD2 3.99Å; F96-M193 HydrophobicContact CD2-CE 4.13Å; F96-M193 HydrophobicContact CD2-SD 3.65Å; F96-M193 HydrophobicContact CE2-CE 3.91Å; F96-M193 HydrophobicContact CE2-SD 3.8Å; F96-A259 HydrophobicContact CD1-CB 3.47Å; F96-A259 VanDerWaalsContact CD1-CB 3.47Å; F96-A259 HydrophobicContact CD2-CB 4Å; F96-A259 HydrophobicContact CE1-CB 3.32Å; F96-A259 HydrophobicContact CE2-CB 3.89Å; F96-A259 HydrophobicContact CG-CB 3.79Å; F96-A259 HydrophobicContact CZ-CB 3.56Å; F96-L285 HydrophobicContact CD1-CB 4.01Å; F96-L285 HydrophobicContact CE1-CB 3.99Å; F96-L285 HydrophobicContact CE1-CD1 4.39Å; F96-D286 PolarHBondContact N-O 3.11Å; F96-A335 HydrophobicContact CZ-CB 4.03Å |
| 97 | N | 91.7 | Very high | 93.9 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | trans | -100.1 | 81.8 | -176.1 | -168.5 | -24.6 | 0 | 0 | 0 | 112.2 | T99 L100 H101 G191 L192 | N97-T99 VanDerWaalsContact C-N 3.29Å; N97-T99 PolarHBondContact O-N 3.34Å; N97-L100 HydrophobicContact CB-CB 3.95Å; N97-L100 HydrophobicContact CB-CD2 4.44Å; N97-L100 PolarHBondContact O-N 3.4Å; N97-L100 VanDerWaalsContact OD1-CB 3.31Å; N97-L100 WeakPolarHBondContact OD1-CB 3.39Å; N97-L100 PolarHBondContact OD1-N 2.7Å; N97-H101 PolarHBondContact O-N 2.75Å; N97-G191 PolarHBondContact N-O 3.35Å; N97-L192 WeakPolarHBondContact O-CD2 3.41Å | ||
| 98 | Y | 94.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.5 | -29.5 | -174.5 | -168.1 | -139.2 | 0 | 0 | 0 | 114.5 | F96 H101 K102 Q240 Q283 L285 | F96-Y98 AromaticContact CE1-CD2 3.64Å; F96-Y98 HydrophobicContact CE1-CD2 3.64Å; F96-Y98 HydrophobicContact CE1-CG 4.02Å; F96-Y98 HydrophobicContact CZ-CD2 4.18Å; F96-Y98 PolarHBondContact O-N 3.17Å; Y98-H101 HydrophobicContact CD2-CB 4.21Å; Y98-H101 WeakPolarHBondContact O-CB 3.47Å; Y98-H101 PolarHBondContact O-N 3.47Å; Y98-K102 HydrophobicContact CD1-CD 4.35Å; Y98-K102 HydrophobicContact CD2-CG 4.38Å; Y98-K102 HydrophobicContact CE1-CD 3.96Å; Y98-K102 HydrophobicContact CE2-CD 4.32Å; Y98-K102 HydrophobicContact CE2-CG 4.11Å; Y98-K102 WeakPolarHBondContact O-CG 3.48Å; Y98-K102 PolarHBondContact O-N 2.87Å; Y98-Q240 PolarHBondContact OH-NE2 3.16Å; Y98-Q283 WeakPolarHBondContact CD1-O 3.46Å; Y98-Q283 WeakPolarHBondContact CE1-O 3.41Å; Y98-L285 WeakPolarHBondContact CB-O 3.49Å; Y98-L285 HydrophobicContact CD1-CB 4.25Å; Y98-L285 HydrophobicContact CD1-CD1 4.41Å; Y98-L285 HydrophobicContact CD1-CG 3.96Å; Y98-L285 HydrophobicContact CD2-CB 4.46Å; Y98-L285 HydrophobicContact CD2-CD1 3.97Å; Y98-L285 HydrophobicContact CD2-CG 4.3Å; Y98-L285 HydrophobicContact CE1-CD1 4.21Å; Y98-L285 HydrophobicContact CE1-CG 3.99Å; Y98-L285 HydrophobicContact CE2-CD1 3.74Å; Y98-L285 HydrophobicContact CE2-CG 4.33Å; Y98-L285 HydrophobicContact CG-CB 4.09Å; Y98-L285 HydrophobicContact CG-CD1 4.29Å; Y98-L285 HydrophobicContact CG-CG 4.11Å |
| 99 | T | 92.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 174.3 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | N97 H101 K102 Q103 | N97-T99 VanDerWaalsContact C-N 3.29Å; N97-T99 PolarHBondContact O-N 3.34Å; T99-H101 VanDerWaalsContact C-N 3.31Å; T99-H101 PolarHBondContact O-N 3.08Å; T99-K102 PolarHBondContact O-N 3.25Å; T99-Q103 WeakPolarHBondContact O-CB 3.24Å; T99-Q103 VanDerWaalsContact O-CG 3.3Å; T99-Q103 WeakPolarHBondContact O-CG 3.41Å; T99-Q103 PolarHBondContact O-N 3.12Å |
| 100 | L | 92 | Very high | 93.3 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 174.8 | -179.4 | 64.8 | 0 | 0 | 0 | 111.1 | N97 K102 Q103 L104 G184 L192 | N97-L100 HydrophobicContact CB-CB 3.95Å; N97-L100 HydrophobicContact CB-CD2 4.44Å; N97-L100 PolarHBondContact O-N 3.4Å; N97-L100 VanDerWaalsContact OD1-CB 3.31Å; N97-L100 WeakPolarHBondContact OD1-CB 3.39Å; N97-L100 PolarHBondContact OD1-N 2.7Å; L100-K102 PolarHBondContact O-N 3.35Å; L100-Q103 PolarHBondContact O-N 2.91Å; L100-L104 HydrophobicContact CD1-CD1 3.76Å; L100-L104 HydrophobicContact CD1-CD2 4.19Å; L100-L104 HydrophobicContact CD1-CG 3.77Å; L100-L104 HydrophobicContact CD2-CD1 4.31Å; L100-L104 HydrophobicContact CG-CD1 3.69Å; L100-L104 HydrophobicContact CG-CG 4.1Å; L100-L104 WeakPolarHBondContact O-CB 3.38Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.47Å; L100-L104 PolarHBondContact O-N 3.03Å; L100-G184 WeakPolarHBondContact CD2-O 3.39Å; L100-L192 HydrophobicContact CD2-CD1 4.39Å; L100-L192 HydrophobicContact CG-CD1 4.25Å |
| 101 | H | 94 | Very high | 93.2 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.3 | -51.4 | 177.1 | -174.9 | 80.7 | 0 | 0 | 0 | 112.1 | F96 N97 Y98 T99 R105 L192 D194 | F96-H101 HydrophobicContact CZ-CB 4.2Å; N97-H101 PolarHBondContact O-N 2.75Å; Y98-H101 HydrophobicContact CD2-CB 4.21Å; Y98-H101 WeakPolarHBondContact O-CB 3.47Å; Y98-H101 PolarHBondContact O-N 3.47Å; T99-H101 VanDerWaalsContact C-N 3.31Å; T99-H101 PolarHBondContact O-N 3.08Å; H101-R105 WeakPolarHBondContact CE1-CD 3.01Å; H101-R105 WeakPolarHBondContact NE2-CD 3.49Å; H101-R105 WeakPolarHBondContact O-CB 3.49Å; H101-R105 VanDerWaalsContact O-CG 3.27Å; H101-R105 WeakPolarHBondContact O-CG 3.43Å; H101-R105 PolarHBondContact O-N 2.91Å; H101-L192 HydrophobicContact CB-CD1 3.99Å; H101-L192 HydrophobicContact CB-CD2 3.69Å; H101-D194 IonicContact CE1-OD2 3.95Å; H101-D194 PolarHBondContact CE1-OD2 3.19Å |
| 102 | K | 93.5 | Very high | 93.3 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 178.9 | -71.8 | -177.6 | -67.9 | -163.8 | 0 | 111.8 | Y98 T99 L100 A106 Q283 | Y98-K102 HydrophobicContact CD1-CD 4.35Å; Y98-K102 HydrophobicContact CD2-CG 4.38Å; Y98-K102 HydrophobicContact CE1-CD 3.96Å; Y98-K102 HydrophobicContact CE2-CD 4.32Å; Y98-K102 HydrophobicContact CE2-CG 4.11Å; Y98-K102 WeakPolarHBondContact O-CG 3.48Å; Y98-K102 PolarHBondContact O-N 2.87Å; T99-K102 PolarHBondContact O-N 3.25Å; L100-K102 PolarHBondContact O-N 3.35Å; K102-A106 WeakPolarHBondContact O-CB 3.11Å; K102-A106 PolarHBondContact O-N 3.23Å; K102-A106 VanDerWaalsContact O-N 3.09Å; K102-Q283 PolarHBondContact NZ-O 3.44Å |
| 103 | Q | 94 | Very high | 93.6 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.5 | -49.1 | -179.3 | -74.7 | 174.1 | -16.9 | 0 | 0 | 112.2 | T99 L100 R105 A106 A107 | T99-Q103 WeakPolarHBondContact O-CB 3.24Å; T99-Q103 VanDerWaalsContact O-CG 3.3Å; T99-Q103 WeakPolarHBondContact O-CG 3.41Å; T99-Q103 PolarHBondContact O-N 3.12Å; L100-Q103 PolarHBondContact O-N 2.91Å; Q103-R105 PolarHBondContact O-N 3.42Å; Q103-A106 PolarHBondContact O-N 2.75Å; Q103-A107 WeakPolarHBondContact O-CB 3.15Å; Q103-A107 PolarHBondContact O-N 3.48Å |
| 104 | L | 93 | Very high | 93.7 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | -178.6 | -69 | 176.5 | 0 | 0 | 0 | 111.7 | L100 A106 A107 D108 F111 L192 | L100-L104 HydrophobicContact CD1-CD1 3.76Å; L100-L104 HydrophobicContact CD1-CD2 4.19Å; L100-L104 HydrophobicContact CD1-CG 3.77Å; L100-L104 HydrophobicContact CD2-CD1 4.31Å; L100-L104 HydrophobicContact CG-CD1 3.69Å; L100-L104 HydrophobicContact CG-CG 4.1Å; L100-L104 WeakPolarHBondContact O-CB 3.38Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.47Å; L100-L104 PolarHBondContact O-N 3.03Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.02Å; L104-A107 PolarHBondContact O-N 2.77Å; L104-A107 VanDerWaalsContact O-N 3.17Å; L104-D108 PolarHBondContact O-N 3.48Å; L104-F111 HydrophobicContact CB-CB 4.33Å; L104-F111 HydrophobicContact CB-CD1 3.7Å; L104-F111 HydrophobicContact CB-CD2 4.15Å; L104-F111 HydrophobicContact CB-CE1 4.05Å; L104-F111 HydrophobicContact CB-CE2 4.44Å; L104-F111 HydrophobicContact CB-CG 3.78Å; L104-F111 HydrophobicContact CB-CZ 4.41Å; L104-F111 HydrophobicContact CD1-CD1 3.87Å; L104-F111 HydrophobicContact CD1-CE1 3.67Å; L104-F111 HydrophobicContact CD1-CZ 4.39Å; L104-F111 HydrophobicContact CD2-CE1 3.98Å; L104-F111 HydrophobicContact CD2-CE2 4.26Å; L104-F111 HydrophobicContact CD2-CZ 3.85Å; L104-F111 HydrophobicContact CG-CD1 4.23Å; L104-F111 HydrophobicContact CG-CE1 4.11Å; L104-F111 HydrophobicContact CG-CZ 4.44Å; L104-L192 HydrophobicContact CD1-CD1 3.99Å |
| 105 | R | 92.8 | Very high | 93.8 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 20% | 0.204 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.4 | -25 | 179.2 | -66.7 | 175.1 | 69.4 | 88.6 | 5.6 | 113.6 | H101 Q103 F111 K112 D194 D237 | H101-R105 WeakPolarHBondContact CE1-CD 3.01Å; H101-R105 WeakPolarHBondContact NE2-CD 3.49Å; H101-R105 WeakPolarHBondContact O-CB 3.49Å; H101-R105 VanDerWaalsContact O-CG 3.27Å; H101-R105 WeakPolarHBondContact O-CG 3.43Å; H101-R105 PolarHBondContact O-N 2.91Å; Q103-R105 PolarHBondContact O-N 3.42Å; R105-F111 HydrophobicContact CG-CB 4.13Å; R105-F111 PolarHBondContact NH1-O 2.9Å; R105-K112 HydrophobicContact CB-CG 4.42Å; R105-K112 HydrophobicContact CG-CG 4.43Å; R105-K112 WeakPolarHBondContact O-CE 3.01Å; R105-D194 IonicContact NH1-OD2 3.1Å; R105-D194 PolarHBondContact NH1-OD2 3.17Å; R105-D194 VanDerWaalsContact NH1-OD2 3.1Å; R105-D237 IonicContact CZ-OD2 3.22Å; R105-D237 IonicContact NH1-OD1 3.5Å; R105-D237 IonicContact NH1-OD2 2.76Å; R105-D237 PolarHBondContact NH1-OD2 3.23Å; R105-D237 IonicContact NH2-OD2 2.74Å; R105-D237 PolarHBondContact NH2-OD2 3.34Å |
| 106 | A | 94.2 | Very high | 93.9 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 74% | 0.744 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -80.8 | -28.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K102 Q103 L104 | K102-A106 WeakPolarHBondContact O-CB 3.11Å; K102-A106 PolarHBondContact O-N 3.23Å; K102-A106 VanDerWaalsContact O-N 3.09Å; Q103-A106 PolarHBondContact O-N 2.75Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.02Å |
| 107 | A | 93.8 | Very high | 94 | Very high | 85 Ų | 85 | 66.8 Ų | 66.8 | 70% | 0.702 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -82.5 | -37.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q103 L104 | Q103-A107 WeakPolarHBondContact O-CB 3.15Å; Q103-A107 PolarHBondContact O-N 3.48Å; L104-A107 PolarHBondContact O-N 2.77Å; L104-A107 VanDerWaalsContact O-N 3.17Å |
| 108 | D | 91.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | trans | -148.8 | 127.2 | -174.5 | 174.7 | 9.5 | 0 | 0 | 0 | 111.6 | L104 S110 F111 | L104-D108 PolarHBondContact O-N 3.48Å; D108-S110 PolarHBondContact O-N 3.39Å; D108-S110 VanDerWaalsContact OD1-CB 3.31Å; D108-S110 WeakPolarHBondContact OD1-CB 3.42Å; D108-S110 PolarHBondContact OD1-N 3.36Å; D108-S110 PolarHBondContact OD1-OG 3Å; D108-S110 WeakPolarHBondContact OD2-CB 3.04Å; D108-S110 PolarHBondContact OD2-OG 3.32Å; D108-F111 HydrophobicContact CB-CD2 3.77Å; D108-F111 HydrophobicContact CB-CE2 3.95Å; D108-F111 PolarHBondContact O-N 3.15Å | ||
| 109 | E | 91.6 | Very high | 94.3 | Very high | 130 Ų | 130 | 67.5 Ų | 67.5 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -61.7 | -20.8 | 177.2 | -66.1 | -64 | 142.6 | 0 | 0 | 112.6 | F111 K112 | E109-F111 PolarHBondContact O-N 3.44Å; E109-F111 VanDerWaalsContact O-N 3.15Å; E109-K112 PolarHBondContact O-N 3.06Å; E109-K112 IonicContact OE1-NZ 2.65Å; E109-K112 PolarHBondContact OE1-NZ 3.47Å; E109-K112 VanDerWaalsContact OE2-CD 3.31Å; E109-K112 WeakPolarHBondContact OE2-CD 3.45Å; E109-K112 WeakPolarHBondContact OE2-CE 3.34Å; E109-K112 IonicContact OE2-NZ 2.89Å; E109-K112 PolarHBondContact OE2-NZ 3.44Å |
| 110 | S | 90.2 | Very high | 94.3 | Very high | 52 Ų | 52 | 67.3 Ų | 67.3 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -62.7 | -18 | 175.9 | 85.5 | 0 | 0 | 0 | 0 | 113.7 | D108 K112 R198 | D108-S110 PolarHBondContact O-N 3.39Å; D108-S110 VanDerWaalsContact OD1-CB 3.31Å; D108-S110 WeakPolarHBondContact OD1-CB 3.42Å; D108-S110 PolarHBondContact OD1-N 3.36Å; D108-S110 PolarHBondContact OD1-OG 3Å; D108-S110 WeakPolarHBondContact OD2-CB 3.04Å; D108-S110 PolarHBondContact OD2-OG 3.32Å; S110-K112 VanDerWaalsContact C-N 3.31Å; S110-R198 PolarHBondContact O-NH1 2.9Å; S110-R198 VanDerWaalsContact O-NH1 3.16Å; S110-R198 PolarHBondContact OG-NH1 2.86Å; S110-R198 PolarHBondContact OG-NH2 3.1Å |
| 111 | F | 93.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 75.2 Ų | 75.2 | 15% | 0.149 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -83.8 | -3.3 | 173.7 | -68.8 | -89.5 | 0 | 0 | 0 | 113.6 | L104 R105 D108 E109 | L104-F111 HydrophobicContact CB-CB 4.33Å; L104-F111 HydrophobicContact CB-CD1 3.7Å; L104-F111 HydrophobicContact CB-CD2 4.15Å; L104-F111 HydrophobicContact CB-CE1 4.05Å; L104-F111 HydrophobicContact CB-CE2 4.44Å; L104-F111 HydrophobicContact CB-CG 3.78Å; L104-F111 HydrophobicContact CB-CZ 4.41Å; L104-F111 HydrophobicContact CD1-CD1 3.87Å; L104-F111 HydrophobicContact CD1-CE1 3.67Å; L104-F111 HydrophobicContact CD1-CZ 4.39Å; L104-F111 HydrophobicContact CD2-CE1 3.98Å; L104-F111 HydrophobicContact CD2-CE2 4.26Å; L104-F111 HydrophobicContact CD2-CZ 3.85Å; L104-F111 HydrophobicContact CG-CD1 4.23Å; L104-F111 HydrophobicContact CG-CE1 4.11Å; L104-F111 HydrophobicContact CG-CZ 4.44Å; R105-F111 HydrophobicContact CG-CB 4.13Å; R105-F111 PolarHBondContact NH1-O 2.9Å; D108-F111 HydrophobicContact CB-CD2 3.77Å; D108-F111 HydrophobicContact CB-CE2 3.95Å; D108-F111 PolarHBondContact O-N 3.15Å; E109-F111 PolarHBondContact O-N 3.44Å; E109-F111 VanDerWaalsContact O-N 3.15Å |
| 112 | K | 95.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 77.8 Ų | 77.8 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | trans | -100.8 | 138.1 | 176.9 | -54.4 | -172.7 | -164.2 | 157.3 | 0 | 110.6 | R105 E109 S110 | R105-K112 HydrophobicContact CB-CG 4.42Å; R105-K112 HydrophobicContact CG-CG 4.43Å; R105-K112 WeakPolarHBondContact O-CE 3.01Å; E109-K112 PolarHBondContact O-N 3.06Å; E109-K112 IonicContact OE1-NZ 2.65Å; E109-K112 PolarHBondContact OE1-NZ 3.47Å; E109-K112 VanDerWaalsContact OE2-CD 3.31Å; E109-K112 WeakPolarHBondContact OE2-CD 3.45Å; E109-K112 WeakPolarHBondContact OE2-CE 3.34Å; E109-K112 IonicContact OE2-NZ 2.89Å; E109-K112 PolarHBondContact OE2-NZ 3.44Å; S110-K112 VanDerWaalsContact C-N 3.31Å | ||
| 113 | G | 96.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 80 Ų | 80 | 18% | 0.175 | 47% | 0.465 | C | S | . | . | trans | -76.3 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F235 D237 | G113-F235 CarbonylContact C-O 3.54Å; G113-F235 WeakPolarHBondContact CA-O 3.35Å; G113-D237 PolarHBondContact N-OD2 3.29Å | ||
| 114 | V | 97.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 77 Ų | 77 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 145.2 | 167.9 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | F235 T236 D237 L340 | V114-F235 PolarHBondContact N-O 3.1Å; V114-T236 HydrophobicContact CG2-CG2 4.15Å; V114-T236 WeakPolarHBondContact CG2-OG1 3.49Å; V114-T236 CarbonylContact O-C 3.52Å; V114-T236 WeakPolarHBondContact O-CA 3.44Å; V114-T236 VanDerWaalsContact O-CG2 3.25Å; V114-T236 WeakPolarHBondContact O-CG2 3.39Å; V114-D237 PolarHBondContact O-N 3.4Å; V114-L340 HydrophobicContact CG2-CD1 3.93Å |
| 115 | T | 97.6 | Very high | 94.5 | Very high | 102 Ų | 102 | 78.4 Ų | 78.4 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.4 | -178.9 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | I117 P239 | T115-I117 PolarHBondContact O-N 2.62Å; T115-P239 HydrophobicContact CG2-CG 4.47Å |
| 116 | F | 98.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 84.9 Ų | 84.9 | 4% | 0.035 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 126.8 | 171 | 178.6 | -105.8 | 0 | 0 | 0 | 111.3 | T236 D237 I238 K245 E248 A249 V253 Y338 | F116-T236 HydrophobicContact CB-CG2 3.73Å; F116-T236 HydrophobicContact CD2-CG2 4.41Å; F116-D237 WeakPolarHBondContact CB-O 3.37Å; F116-D237 PolarHBondContact N-O 3.22Å; F116-I238 HydrophobicContact CB-CG1 4.06Å; F116-I238 HydrophobicContact CG-CG1 4.26Å; F116-K245 HydrophobicContact CD1-CB 3.96Å; F116-K245 HydrophobicContact CD1-CD 4.28Å; F116-K245 HydrophobicContact CD1-CG 4.28Å; F116-K245 HydrophobicContact CE1-CB 4.07Å; F116-K245 HydrophobicContact CE1-CG 4.33Å; F116-K245 WeakPolarHBondContact CE1-O 3.48Å; F116-E248 HydrophobicContact CE1-CB 3.97Å; F116-E248 HydrophobicContact CZ-CB 3.89Å; F116-A249 HydrophobicContact CD2-CB 4.14Å; F116-A249 HydrophobicContact CE1-CB 4.41Å; F116-A249 HydrophobicContact CE2-CB 3.78Å; F116-A249 HydrophobicContact CZ-CB 3.93Å; F116-V253 HydrophobicContact CE2-CG2 4.31Å; F116-Y338 HydrophobicContact CD2-CE1 4.06Å; F116-Y338 WeakPolarHBondContact CD2-OH 3.37Å |
| 117 | I | 97.5 | Very high | 94.9 | Very high | 145 Ų | 145 | 84.3 Ų | 84.3 | 74% | 0.744 | 48% | 0.484 | S | S | * | . | trans | -107.6 | 117.4 | 174.3 | -57.6 | 176.7 | 0 | 0 | 0 | 107.8 | T115 | T115-I117 PolarHBondContact O-N 2.62Š| ||
| 118 | S | 96.8 | Very high | 95.1 | Very high | 41 Ų | 41 | 81.2 Ų | 81.2 | 29% | 0.287 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 126.5 | 175.5 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | A120 E248 | S118-A120 PolarHBondContact O-N 2.86Å; S118-E248 WeakPolarHBondContact CB-OE2 3.45Å; S118-E248 PolarHBondContact OG-OE2 2.98Å |
| 119 | P | 94.7 | Very high | 95.4 | Very high | 47 Ų | 47 | 79.5 Ų | 79.5 | 31% | 0.305 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 123.9 | 178.2 | 26.2 | -31.4 | 0 | 0 | 0 | 110.1 | V122 T252 | P119-V122 HydrophobicContact CB-CB 4.44Å; P119-V122 HydrophobicContact CB-CG2 3.74Å; P119-V122 HydrophobicContact CG-CB 4.28Å; P119-V122 HydrophobicContact CG-CG2 4.04Å; P119-T252 HydrophobicContact CG-CG2 3.92Å |
| 120 | A | 92.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 74.6 Ų | 74.6 | 62% | 0.62 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 144.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S118 V122 | S118-A120 PolarHBondContact O-N 2.86Å; A120-V122 VanDerWaalsContact C-N 3.3Å; A120-V122 PolarHBondContact O-N 3.45Å |
| 121 | H | 92.3 | Very high | 96.2 | Very high | 199 Ų | 199 | 76.7 Ų | 76.7 | 92% | 0.921 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 28.4 | 174.2 | -46.8 | -68 | 0 | 0 | 0 | 115.7 | ||
| 122 | V | 92.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 79.8 Ų | 79.8 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | trans | -102.1 | 127.2 | 172.8 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | P119 A120 L124 T252 | P119-V122 HydrophobicContact CB-CB 4.44Å; P119-V122 HydrophobicContact CB-CG2 3.74Å; P119-V122 HydrophobicContact CG-CB 4.28Å; P119-V122 HydrophobicContact CG-CG2 4.04Å; A120-V122 VanDerWaalsContact C-N 3.3Å; A120-V122 PolarHBondContact O-N 3.45Å; V122-L124 HydrophobicContact CG1-CD2 4.17Å; V122-T252 HydrophobicContact CG1-CG2 3.97Å | ||
| 123 | T | 94.1 | Very high | 96.5 | Very high | 137 Ų | 137 | 82.6 Ų | 82.6 | 84% | 0.84 | 46% | 0.457 | S | S | * | . | trans | -87.4 | 115.9 | 166.8 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 124 | L | 94.9 | Very high | 96.6 | Very high | 57 Ų | 57 | 83.3 Ų | 83.3 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | trans | -70.9 | 141.1 | 177.8 | -58.7 | -178.1 | 0 | 0 | 0 | 111.2 | V122 E248 A251 T252 | V122-L124 HydrophobicContact CG1-CD2 4.17Å; L124-E248 HydrophobicContact CD1-CG 3.65Å; L124-E248 HydrophobicContact CD2-CB 4.44Å; L124-E248 HydrophobicContact CD2-CG 4.11Å; L124-E248 HydrophobicContact CG-CG 4.35Å; L124-A251 HydrophobicContact CD2-CB 3.91Å; L124-T252 HydrophobicContact CD2-CG2 4.39Å | ||
| 125 | P | 96.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 79.2 Ų | 79.2 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | trans | -66.5 | 156 | 170.2 | 31.7 | -36.4 | 0 | 0 | 0 | 110.6 | S127 V128 A251 F294 | P125-S127 VanDerWaalsContact C-N 3.28Å; P125-S127 PolarHBondContact O-N 2.82Å; P125-V128 HydrophobicContact CG-CG2 3.48Å; P125-V128 VanDerWaalsContact CG-CG2 3.48Å; P125-A251 HydrophobicContact CG-CB 4.34Å; P125-F294 WeakPolarHBondContact O-CE2 3.44Å | ||
| 126 | K | 96.7 | Very high | 96.7 | Very high | 191 Ų | 191 | 75.3 Ų | 75.3 | 83% | 0.83 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -67.6 | -29.6 | 176 | -67.2 | -174.1 | 177.9 | -176.1 | 0 | 112.8 | ||
| 127 | S | 98.4 | Very high | 96.7 | Very high | 78 Ų | 78 | 75.7 Ų | 75.7 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | trans | -143.4 | 149.8 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 111 | P125 F294 | P125-S127 VanDerWaalsContact C-N 3.28Å; P125-S127 PolarHBondContact O-N 2.82Å; S127-F294 CarbonylContact C-O 3.55Å; S127-F294 WeakPolarHBondContact CA-O 3.32Å; S127-F294 WeakPolarHBondContact CB-O 3.49Å | ||
| 128 | V | 98.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 12% | 0.121 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.6 | 176 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | P125 W130 V250 A251 G293 F294 | P125-V128 HydrophobicContact CG-CG2 3.48Å; P125-V128 VanDerWaalsContact CG-CG2 3.48Å; V128-W130 HydrophobicContact CG1-CG 4.46Å; V128-V250 HydrophobicContact CG1-CG1 4.23Å; V128-A251 HydrophobicContact CG2-CB 3.99Å; V128-G293 CarbonylContact O-C 3.35Å; V128-G293 WeakPolarHBondContact O-CA 3.33Å; V128-F294 HydrophobicContact CB-CD1 4.17Å; V128-F294 HydrophobicContact CB-CE1 3.93Å; V128-F294 HydrophobicContact CB-CZ 4.21Å; V128-F294 HydrophobicContact CG2-CD1 4.25Å; V128-F294 HydrophobicContact CG2-CE1 3.52Å; V128-F294 HydrophobicContact CG2-CE2 4.12Å; V128-F294 HydrophobicContact CG2-CZ 3.45Å; V128-F294 VanDerWaalsContact CG2-CZ 3.45Å; V128-F294 PolarHBondContact N-O 3.37Å; V128-F294 PolarHBondContact O-N 3.45Å |
| 129 | D | 98.7 | Very high | 96.8 | Very high | 37 Ų | 37 | 71.9 Ų | 71.9 | 20% | 0.198 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 99.5 | 170.9 | -174 | -18.3 | 0 | 0 | 0 | 109.3 | R131 T132 L305 | D129-R131 PolarHBondContact O-N 2.98Å; D129-R131 WeakPolarHBondContact OD1-CA 3.3Å; D129-R131 WeakPolarHBondContact OD1-CB 3.48Å; D129-R131 WeakPolarHBondContact OD1-CG 3.47Å; D129-R131 IonicContact OD1-CZ 3.18Å; D129-R131 PolarHBondContact OD1-N 3.1Å; D129-R131 IonicContact OD1-NE 2.62Å; D129-R131 PolarHBondContact OD1-NE 3.2Å; D129-R131 IonicContact OD1-NH2 2.85Å; D129-R131 IonicContact OD2-CZ 3.82Å; D129-R131 IonicContact OD2-NE 3.63Å; D129-R131 PolarHBondContact OD2-NE 2.96Å; D129-R131 VanDerWaalsContact OD2-NE 3.11Å; D129-R131 IonicContact OD2-NH2 2.93Å; D129-R131 PolarHBondContact OD2-NH2 3.26Å; D129-T132 HydrophobicContact CB-CG2 3.98Å; D129-T132 PolarHBondContact O-N 2.79Å; D129-T132 PolarHBondContact O-OG1 2.95Å; D129-L305 HydrophobicContact CB-CD2 4.37Å |
| 130 | W | 98.8 | Very high | 97 | Very high | 27 Ų | 27 | 71.3 Ų | 71.3 | 10% | 0.102 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -66.3 | -17.8 | -179 | -77.3 | 113.3 | 0 | 0 | 0 | 113.6 | V128 T132 K133 G134 A135 V136 R163 V250 P255 V292 | V128-W130 HydrophobicContact CG1-CG 4.46Å; W130-T132 VanDerWaalsContact C-N 3.31Å; W130-T132 PolarHBondContact O-N 2.88Å; W130-K133 HydrophobicContact CE3-CB 3.87Å; W130-K133 HydrophobicContact CE3-CG 4.02Å; W130-K133 HydrophobicContact CZ3-CB 4.23Å; W130-K133 HydrophobicContact CZ3-CG 4.25Å; W130-K133 PolarHBondContact O-N 2.95Å; W130-K133 VanDerWaalsContact O-N 3.15Å; W130-G134 PolarHBondContact O-N 2.89Å; W130-A135 HydrophobicContact CB-CB 4.21Å; W130-A135 HydrophobicContact CD2-CB 4.43Å; W130-A135 HydrophobicContact CE3-CB 3.8Å; W130-A135 PolarHBondContact O-N 3.21Å; W130-A135 VanDerWaalsContact O-N 3.12Å; W130-V136 HydrophobicContact CB-CG2 3.72Å; W130-R163 VanDerWaalsContact CZ3-CD 3.47Å; W130-V250 PolarHBondContact NE1-O 2.86Å; W130-P255 HydrophobicContact CB-CG 4.01Å; W130-P255 HydrophobicContact CG-CG 3.99Å; W130-V292 WeakPolarHBondContact CB-O 3.27Å; W130-V292 VanDerWaalsContact CD1-O 3.22Å; W130-V292 PolarHBondContact N-O 3.02Å |
| 131 | R | 98.5 | Very high | 97.2 | Very high | 96 Ų | 96 | 70.7 Ų | 70.7 | 36% | 0.362 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -63.9 | -41.8 | 173.6 | -49.9 | 172.8 | -62.6 | -176.7 | -0.7 | 110.2 | D129 K133 G134 V136 V292 F319 | D129-R131 PolarHBondContact O-N 2.98Å; D129-R131 WeakPolarHBondContact OD1-CA 3.3Å; D129-R131 WeakPolarHBondContact OD1-CB 3.48Å; D129-R131 WeakPolarHBondContact OD1-CG 3.47Å; D129-R131 IonicContact OD1-CZ 3.18Å; D129-R131 PolarHBondContact OD1-N 3.1Å; D129-R131 IonicContact OD1-NE 2.62Å; D129-R131 PolarHBondContact OD1-NE 3.2Å; D129-R131 IonicContact OD1-NH2 2.85Å; D129-R131 IonicContact OD2-CZ 3.82Å; D129-R131 IonicContact OD2-NE 3.63Å; D129-R131 PolarHBondContact OD2-NE 2.96Å; D129-R131 VanDerWaalsContact OD2-NE 3.11Å; D129-R131 IonicContact OD2-NH2 2.93Å; D129-R131 PolarHBondContact OD2-NH2 3.26Å; R131-K133 PolarHBondContact O-N 3.48Å; R131-K133 VanDerWaalsContact O-N 3.15Å; R131-G134 PolarHBondContact O-N 2.75Å; R131-G134 VanDerWaalsContact O-N 3.1Å; R131-V136 HydrophobicContact CG-CB 4.06Å; R131-V136 HydrophobicContact CG-CG1 4.22Å; R131-V136 HydrophobicContact CG-CG2 4.05Å; R131-V292 HydrophobicContact CG-CG2 4.32Å; R131-F319 VanDerWaalsContact CD-CE1 3.48Å; R131-F319 HydrophobicContact CG-CE1 4.22Å; R131-F319 HydrophobicContact CG-CZ 4.29Å |
| 132 | T | 98.1 | Very high | 97.5 | Very high | 100 Ų | 100 | 61.2 Ų | 61.2 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -67.2 | -13.9 | 177.6 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | D129 W130 | D129-T132 HydrophobicContact CB-CG2 3.98Å; D129-T132 PolarHBondContact O-N 2.79Å; D129-T132 PolarHBondContact O-OG1 2.95Å; W130-T132 VanDerWaalsContact C-N 3.31Å; W130-T132 PolarHBondContact O-N 2.88Å |
| 133 | K | 97.6 | Very high | 97.7 | Very high | 136 Ų | 136 | 58.7 Ų | 58.7 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -99.5 | -2.9 | 177.5 | -55 | -56.2 | -179.4 | -175 | 0 | 113.2 | W130 R131 A135 F162 | W130-K133 HydrophobicContact CE3-CB 3.87Å; W130-K133 HydrophobicContact CE3-CG 4.02Å; W130-K133 HydrophobicContact CZ3-CB 4.23Å; W130-K133 HydrophobicContact CZ3-CG 4.25Å; W130-K133 PolarHBondContact O-N 2.95Å; W130-K133 VanDerWaalsContact O-N 3.15Å; R131-K133 PolarHBondContact O-N 3.48Å; R131-K133 VanDerWaalsContact O-N 3.15Å; K133-A135 VanDerWaalsContact C-N 3.33Å; K133-F162 VanDerWaalsContact O-CE1 3.27Å; K133-F162 WeakPolarHBondContact O-CE1 3.25Å; K133-F162 WeakPolarHBondContact O-CZ 3.4Å |
| 134 | G | 97.4 | Very high | 97.7 | Very high | 32 Ų | 32 | 58.3 Ų | 58.3 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 12.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W130 R131 F162 L168 | W130-G134 PolarHBondContact O-N 2.89Å; R131-G134 PolarHBondContact O-N 2.75Å; R131-G134 VanDerWaalsContact O-N 3.1Å; G134-F162 WeakPolarHBondContact O-CE2 3.37Å; G134-L168 WeakPolarHBondContact O-CD2 3.33Å |
| 135 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -92.5 | 10.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | W130 K133 G159 F162 | W130-A135 HydrophobicContact CB-CB 4.21Å; W130-A135 HydrophobicContact CD2-CB 4.43Å; W130-A135 HydrophobicContact CE3-CB 3.8Å; W130-A135 PolarHBondContact O-N 3.21Å; W130-A135 VanDerWaalsContact O-N 3.12Å; K133-A135 VanDerWaalsContact C-N 3.33Å; A135-G159 WeakPolarHBondContact O-CA 3.08Å; A135-F162 VanDerWaalsContact CA-CD1 3.46Å; A135-F162 HydrophobicContact CB-CD1 3.3Å; A135-F162 HydrophobicContact CB-CE1 3.72Å; A135-F162 HydrophobicContact CB-CG 4.09Å | ||
| 136 | V | 98.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -133.7 | 119.8 | -174.1 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | W130 R131 P255 V292 K307 | W130-V136 HydrophobicContact CB-CG2 3.72Å; R131-V136 HydrophobicContact CG-CB 4.06Å; R131-V136 HydrophobicContact CG-CG1 4.22Å; R131-V136 HydrophobicContact CG-CG2 4.05Å; V136-P255 HydrophobicContact CG2-CG 4.34Å; V136-V292 HydrophobicContact CG1-CG1 3.97Å; V136-V292 HydrophobicContact CG2-CB 3.91Å; V136-V292 HydrophobicContact CG2-CG1 3.72Å; V136-K307 HydrophobicContact CG1-CD 3.72Å |
| 137 | T | 98.6 | Very high | 97.8 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 168.9 | 174.7 | 55 | 0 | 0 | 0 | 0 | 111.8 | E158 L168 K307 | T137-E158 WeakPolarHBondContact CB-OE2 3.17Å; T137-E158 HydrophobicContact CG2-CB 4.47Å; T137-E158 VanDerWaalsContact CG2-CD 3.47Å; T137-E158 HydrophobicContact CG2-CG 4.3Å; T137-E158 WeakPolarHBondContact CG2-OE2 3.25Å; T137-E158 PolarHBondContact OG1-OE2 3.06Å; T137-L168 HydrophobicContact CG2-CD1 3.98Å; T137-L168 HydrophobicContact CG2-CD2 4.06Å; T137-L168 HydrophobicContact CG2-CG 3.91Å; T137-K307 WeakPolarHBondContact O-CE 2.98Å; T137-K307 PolarHBondContact O-NZ 3.03Å; T137-K307 PolarHBondContact OG1-NZ 2.86Å |
| 138 | A | 98.4 | Very high | 97.8 | Very high | 80 Ų | 80 | 40 Ų | 40 | 66% | 0.661 | 22% | 0.223 | S | C | * | . | P | Polyproline II helix | trans | -58.1 | 155.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K140 K307 | A138-K140 PolarHBondContact O-N 3.27Å; A138-K307 VanDerWaalsContact O-CE 3.31Å; A138-K307 WeakPolarHBondContact O-CE 3.36Å; A138-K307 PolarHBondContact O-NZ 2.84Å |
| 139 | V | 98.8 | Very high | 97.8 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 126.6 | 172.4 | 171.3 | 0 | 0 | 0 | 0 | 108.9 | K307 T312 F319 | V139-K307 HydrophobicContact CG2-CG 4.24Å; V139-T312 HydrophobicContact CB-CG2 4.04Å; V139-T312 HydrophobicContact CG1-CG2 4.3Å; V139-F319 HydrophobicContact CG2-CD2 4.09Å; V139-F319 HydrophobicContact CG2-CE2 3.5Å; V139-F319 VanDerWaalsContact CG2-CE2 3.5Å; V139-F319 HydrophobicContact CG2-CZ 3.93Å |
| 140 | K | 98.4 | Very high | 97.8 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | trans | -100.9 | -179.2 | 173.9 | -59.4 | -174.3 | -175 | -178.1 | 0 | 110.3 | A138 F151 S170 L171 E173 E209 S309 G311 | A138-K140 PolarHBondContact O-N 3.27Å; K140-F151 HydrophobicContact CB-CD1 3.96Å; K140-F151 HydrophobicContact CB-CE1 3.5Å; K140-F151 VanDerWaalsContact CB-CE1 3.5Å; K140-F151 HydrophobicContact CD-CD1 4.18Å; K140-F151 HydrophobicContact CD-CE1 3.76Å; K140-F151 HydrophobicContact CG-CE1 4.28Å; K140-S170 WeakPolarHBondContact CE-OG 3.41Å; K140-S170 PolarHBondContact NZ-OG 3.37Å; K140-L171 PolarHBondContact NZ-O 3.42Å; K140-E173 IonicContact NZ-OE1 3.52Å; K140-E173 PolarHBondContact NZ-OE1 3Å; K140-E173 IonicContact NZ-OE2 2.79Å; K140-E173 PolarHBondContact NZ-OE2 3.42Å; K140-E209 IonicContact NZ-OE2 2.95Å; K140-E209 PolarHBondContact NZ-OE2 2.94Å; K140-S309 CarbonylContact O-C 3.46Å; K140-G311 PolarHBondContact O-N 3.36Å | ||
| 141 | D | 98 | Very high | 97.8 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -135.7 | 114.6 | -176.2 | -165 | -18.5 | 0 | 0 | 0 | 109.9 | K80 G143 Y214 S309 | K80-D141 IonicContact NZ-OD1 2.9Å; K80-D141 PolarHBondContact NZ-OD1 3.36Å; K80-D141 IonicContact NZ-OD2 2.63Å; K80-D141 PolarHBondContact NZ-OD2 3.4Å; D141-G143 PolarHBondContact O-N 3.09Å; D141-G143 PolarHBondContact OD1-N 3.27Å; D141-G143 VanDerWaalsContact OD1-N 3.08Å; D141-Y214 WeakPolarHBondContact O-CE1 3.13Å; D141-S309 CarbonylContact C-O 3.57Å; D141-S309 WeakPolarHBondContact CA-O 3.33Å |
| 142 | Q | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -71.1 | -14.4 | 179.7 | 75 | -174.1 | 75.3 | 0 | 0 | 112.4 | M93 C145 F151 Y214 A216 S309 | M93-Q142 HydrophobicContact CE-CG 3.64Å; M93-Q142 PolarHBondContact O-NE2 2.77Å; Q142-C145 PolarHBondContact NE2-O 2.85Å; Q142-F151 HydrophobicContact CB-CD2 3.81Å; Q142-F151 HydrophobicContact CB-CE2 3.36Å; Q142-F151 HydrophobicContact CB-CZ 4.01Å; Q142-Y214 WeakPolarHBondContact O-CE1 3.28Å; Q142-Y214 PolarHBondContact O-OH 2.64Å; Q142-A216 WeakPolarHBondContact O-CB 3.02Å; Q142-S309 PolarHBondContact N-O 2.04Å; Q142-S309 PolarHBondContact OE1-OG 3.27Å | ||
| 143 | G | 95.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 27.6 Ų | 27.6 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | trans | 61.3 | -146.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D141 C145 | D141-G143 PolarHBondContact O-N 3.09Å; D141-G143 PolarHBondContact OD1-N 3.27Å; D141-G143 VanDerWaalsContact OD1-N 3.08Å; G143-C145 PolarHBondContact O-N 3.15Å; G143-C145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | H | 93.8 | Very high | 97.9 | Very high | 129 Ų | 129 | 21.1 Ų | 21.1 | 60% | 0.597 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -86 | 52.7 | -179.4 | -69.1 | -90.6 | 0 | 0 | 0 | 111.9 | ||
| 145 | C | 96.9 | Very high | 98 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -145.6 | 130.7 | -176 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | L92 Q142 G143 S147 C188 Y214 A216 | L92-C145 CarbonylContact O-C 3.53Å; Q142-C145 PolarHBondContact NE2-O 2.85Å; G143-C145 PolarHBondContact O-N 3.15Å; G143-C145 VanDerWaalsContact O-N 3.08Å; C145-S147 PolarHBondContact O-N 2.69Å; C145-S147 VanDerWaalsContact SG-CB 3.53Å; C145-S147 PolarHBondContact SG-OG 3.18Å; C145-C188 HydrophobicContact CB-CB 3.93Å; C145-C188 WeakPolarHBondContact CB-SG 3.35Å; C145-C188 WeakPolarHBondContact SG-CA 3.04Å; C145-C188 WeakPolarHBondContact SG-CB 3.32Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 2.86Å; C145-Y214 WeakPolarHBondContact CB-OH 3.41Å; C145-A216 HydrophobicContact CB-CB 4.07Å |
| 146 | G | 96.8 | Very high | 98 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | trans | -75.6 | 49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L92 G95 W149 C188 G190 | L92-G146 PolarHBondContact O-N 2.78Å; G95-G146 WeakPolarHBondContact CA-O 2.87Å; G146-W149 VanDerWaalsContact O-CD1 3.32Å; G146-W149 PolarHBondContact O-NE1 3.45Å; G146-C188 WeakPolarHBondContact CA-O 3.46Å; G146-C188 PolarHBondContact N-O 2.69Å; G146-G190 WeakPolarHBondContact O-CA 3.45Å | ||
| 147 | S | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -101.6 | 14 | -174.9 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | C145 W149 A150 F151 Y214 | C145-S147 PolarHBondContact O-N 2.69Å; C145-S147 VanDerWaalsContact SG-CB 3.53Å; C145-S147 PolarHBondContact SG-OG 3.18Å; S147-W149 PolarHBondContact O-N 3.17Å; S147-A150 WeakPolarHBondContact O-CA 3.26Å; S147-A150 VanDerWaalsContact O-CB 3.26Å; S147-A150 WeakPolarHBondContact O-CB 3.44Å; S147-A150 PolarHBondContact O-N 2.83Å; S147-F151 WeakPolarHBondContact O-CD2 3.48Å; S147-F151 PolarHBondContact O-N 2.95Å; S147-F151 WeakPolarHBondContact OG-CE2 3.45Å; S147-Y214 PolarHBondContact OG-OH 3.19Å | ||
| 148 | C | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -49.2 | -34.3 | 179 | 61.6 | 0 | 0 | 0 | 0 | 114 | G95 A150 F151 S152 H287 G288 | G95-C148 VanDerWaalsContact CA-SG 3.59Å; G95-C148 PolarHBondContact N-SG 3.49Å; C148-A150 VanDerWaalsContact C-N 3.29Å; C148-A150 PolarHBondContact O-N 2.82Å; C148-F151 PolarHBondContact O-N 2.52Å; C148-S152 PolarHBondContact O-N 2.99Å; C148-H287 WeakPolarHBondContact CB-CE1 3.35Å; C148-H287 WeakPolarHBondContact CB-ND1 3.26Å; C148-H287 PolarHBondContact SG-ND1 2.9Å; C148-H287 VanDerWaalsContact SG-ND1 3.4Å; C148-G288 PolarHBondContact SG-N 3.21Å |
| 149 | W | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 174.4 | 61.3 | -91.7 | 0 | 0 | 0 | 111.9 | G146 S147 S153 L176 V177 S180 N185 G187 G190 G191 M193 A196 | G146-W149 VanDerWaalsContact O-CD1 3.32Å; G146-W149 PolarHBondContact O-NE1 3.45Å; S147-W149 PolarHBondContact O-N 3.17Å; W149-S153 WeakPolarHBondContact O-CB 3.33Å; W149-S153 PolarHBondContact O-N 2.76Å; W149-S153 PolarHBondContact O-OG 2.95Å; W149-L176 HydrophobicContact CH2-CB 3.91Å; W149-L176 HydrophobicContact CZ3-CB 3.82Å; W149-L176 HydrophobicContact CZ3-CD1 4.49Å; W149-V177 HydrophobicContact CZ2-CG2 4.36Å; W149-S180 WeakPolarHBondContact CH2-OG 3.35Å; W149-N185 HydrophobicContact CH2-CB 3.79Å; W149-N185 HydrophobicContact CZ2-CB 4.05Å; W149-N185 HydrophobicContact CZ3-CB 4.12Å; W149-N185 WeakPolarHBondContact CZ3-ND2 3.08Å; W149-G187 PolarHBondContact NE1-O 2.97Å; W149-G187 VanDerWaalsContact NE1-O 3.1Å; W149-G190 VanDerWaalsContact NE1-C 3.32Å; W149-G191 WeakPolarHBondContact CB-O 3.46Å; W149-G191 VanDerWaalsContact CG-C 3.49Å; W149-M193 HydrophobicContact CB-SD 4.21Å; W149-A196 HydrophobicContact CE3-CB 4.32Å; W149-A196 HydrophobicContact CZ3-CB 4.14Å |
| 150 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.6 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S147 C148 S152 S153 T154 E173 L176 V177 | S147-A150 WeakPolarHBondContact O-CA 3.26Å; S147-A150 VanDerWaalsContact O-CB 3.26Å; S147-A150 WeakPolarHBondContact O-CB 3.44Å; S147-A150 PolarHBondContact O-N 2.83Å; C148-A150 VanDerWaalsContact C-N 3.29Å; C148-A150 PolarHBondContact O-N 2.82Å; A150-S152 PolarHBondContact O-N 3.23Å; A150-S153 WeakPolarHBondContact O-CB 3.5Å; A150-S153 PolarHBondContact O-N 2.59Å; A150-T154 WeakPolarHBondContact O-CG2 3.41Å; A150-T154 PolarHBondContact O-N 3.25Å; A150-T154 PolarHBondContact O-OG1 3.15Å; A150-T154 VanDerWaalsContact O-OG1 3.07Å; A150-E173 HydrophobicContact CB-CB 3.93Å; A150-E173 HydrophobicContact CB-CG 4.13Å; A150-L176 HydrophobicContact CB-CB 4.05Å; A150-L176 HydrophobicContact CB-CD1 4.02Å; A150-V177 HydrophobicContact CB-CG2 4.43Å |
| 151 | F | 98.9 | Very high | 98.1 | Very high | 17 Ų | 17 | 13.9 Ų | 13.9 | 8% | 0.075 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 177.2 | -73 | -87 | 0 | 0 | 0 | 113.4 | K140 Q142 S147 C148 S153 T154 G155 E173 Y214 S309 | K140-F151 HydrophobicContact CB-CD1 3.96Å; K140-F151 HydrophobicContact CB-CE1 3.5Å; K140-F151 VanDerWaalsContact CB-CE1 3.5Å; K140-F151 HydrophobicContact CD-CD1 4.18Å; K140-F151 HydrophobicContact CD-CE1 3.76Å; K140-F151 HydrophobicContact CG-CE1 4.28Å; Q142-F151 HydrophobicContact CB-CD2 3.81Å; Q142-F151 HydrophobicContact CB-CE2 3.36Å; Q142-F151 HydrophobicContact CB-CZ 4.01Å; S147-F151 WeakPolarHBondContact O-CD2 3.48Å; S147-F151 PolarHBondContact O-N 2.95Å; S147-F151 WeakPolarHBondContact OG-CE2 3.45Å; C148-F151 PolarHBondContact O-N 2.52Å; F151-S153 VanDerWaalsContact C-N 3.34Å; F151-T154 WeakPolarHBondContact CA-OG1 3.11Å; F151-T154 PolarHBondContact O-OG1 3.5Å; F151-G155 PolarHBondContact O-N 2.82Å; F151-E173 HydrophobicContact CB-CG 4.32Å; F151-E173 HydrophobicContact CD1-CG 3.63Å; F151-E173 HydrophobicContact CD2-CB 4.44Å; F151-E173 HydrophobicContact CD2-CG 3.94Å; F151-E173 HydrophobicContact CE1-CB 4.39Å; F151-E173 HydrophobicContact CE1-CG 3.75Å; F151-E173 HydrophobicContact CE2-CB 4.16Å; F151-E173 HydrophobicContact CE2-CG 4.04Å; F151-E173 HydrophobicContact CG-CG 3.72Å; F151-E173 HydrophobicContact CZ-CB 4.14Å; F151-E173 HydrophobicContact CZ-CG 3.95Å; F151-Y214 HydrophobicContact CE2-CD2 4.41Å; F151-Y214 HydrophobicContact CE2-CE1 4.09Å; F151-Y214 AromaticContact CE2-CE2 3.84Å; F151-Y214 HydrophobicContact CE2-CE2 3.84Å; F151-Y214 AromaticContact CE2-CZ 3.66Å; F151-Y214 AromaticContact CZ-CD1 3.86Å; F151-Y214 HydrophobicContact CZ-CD1 3.86Å; F151-Y214 HydrophobicContact CZ-CD2 4.04Å; F151-Y214 AromaticContact CZ-CE1 3.7Å; F151-Y214 HydrophobicContact CZ-CE1 3.7Å; F151-Y214 AromaticContact CZ-CE2 3.88Å; F151-Y214 HydrophobicContact CZ-CE2 3.88Å; F151-Y214 HydrophobicContact CZ-CG 4.02Å; F151-Y214 AromaticContact CZ-CZ 3.71Å; F151-S309 VanDerWaalsContact CG-CB 3.5Å |
| 152 | S | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.014 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 174 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | C148 A150 A156 S257 V289 | C148-S152 PolarHBondContact O-N 2.99Å; A150-S152 PolarHBondContact O-N 3.23Å; S152-A156 PolarHBondContact O-N 3.23Å; S152-A156 VanDerWaalsContact O-N 3.12Å; S152-S257 PolarHBondContact O-OG 3.44Å; S152-S257 WeakPolarHBondContact OG-CA 3.2Å; S152-S257 WeakPolarHBondContact OG-CB 3.45Å; S152-S257 PolarHBondContact OG-OG 2.91Å; S152-V289 PolarHBondContact OG-O 2.04Å |
| 153 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.7 | -51.8 | -179.8 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | W149 A150 F151 G155 A156 L157 M193 A196 | W149-S153 WeakPolarHBondContact O-CB 3.33Å; W149-S153 PolarHBondContact O-N 2.76Å; W149-S153 PolarHBondContact O-OG 2.95Å; A150-S153 WeakPolarHBondContact O-CB 3.5Å; A150-S153 PolarHBondContact O-N 2.59Å; F151-S153 VanDerWaalsContact C-N 3.34Å; S153-G155 VanDerWaalsContact C-N 3.33Å; S153-G155 PolarHBondContact O-N 2.95Å; S153-A156 PolarHBondContact O-N 2.97Å; S153-L157 PolarHBondContact O-N 2.91Å; S153-M193 WeakPolarHBondContact OG-CA 3.3Å; S153-M193 WeakPolarHBondContact OG-CB 3.37Å; S153-M193 WeakPolarHBondContact OG-CG 3.47Å; S153-A196 WeakPolarHBondContact OG-CB 3.24Å |
| 154 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59 | -48.3 | 176.9 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | A150 F151 A156 L157 E158 L171 E173 L176 I206 | A150-T154 WeakPolarHBondContact O-CG2 3.41Å; A150-T154 PolarHBondContact O-N 3.25Å; A150-T154 PolarHBondContact O-OG1 3.15Å; A150-T154 VanDerWaalsContact O-OG1 3.07Å; F151-T154 WeakPolarHBondContact CA-OG1 3.11Å; F151-T154 PolarHBondContact O-OG1 3.5Å; T154-A156 VanDerWaalsContact C-N 3.3Å; T154-A156 PolarHBondContact O-N 3.41Å; T154-L157 CarbonylContact O-C 3.57Å; T154-L157 PolarHBondContact O-N 2.61Å; T154-E158 WeakPolarHBondContact O-CB 3.39Å; T154-E158 WeakPolarHBondContact O-CG 3.22Å; T154-E158 PolarHBondContact O-N 3.17Å; T154-L171 HydrophobicContact CG2-CB 4.05Å; T154-E173 WeakPolarHBondContact CB-OE1 3.13Å; T154-E173 HydrophobicContact CG2-CG 3.87Å; T154-E173 PolarHBondContact OG1-OE1 2.6Å; T154-L176 HydrophobicContact CG2-CD1 3.79Å; T154-I206 HydrophobicContact CG2-CD1 3.95Å |
| 155 | G | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.4 | -39 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F151 S153 G159 | F151-G155 PolarHBondContact O-N 2.82Å; S153-G155 VanDerWaalsContact C-N 3.33Å; S153-G155 PolarHBondContact O-N 2.95Å; G155-G159 PolarHBondContact O-N 3.38Å |
| 156 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.1 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | S152 S153 T154 E158 G159 Q160 F197 S257 L290 P339 | S152-A156 PolarHBondContact O-N 3.23Å; S152-A156 VanDerWaalsContact O-N 3.12Å; S153-A156 PolarHBondContact O-N 2.97Å; T154-A156 VanDerWaalsContact C-N 3.3Å; T154-A156 PolarHBondContact O-N 3.41Å; A156-E158 VanDerWaalsContact C-N 3.34Å; A156-E158 PolarHBondContact O-N 3.4Å; A156-G159 PolarHBondContact O-N 3.12Å; A156-G159 VanDerWaalsContact O-N 3.17Å; A156-Q160 VanDerWaalsContact O-CG 3.3Å; A156-Q160 WeakPolarHBondContact O-CG 3.3Å; A156-Q160 PolarHBondContact O-N 3.19Å; A156-F197 HydrophobicContact CB-CZ 4.32Å; A156-S257 WeakPolarHBondContact CB-OG 3.39Å; A156-L290 HydrophobicContact CB-CD1 3.82Å; A156-L290 VanDerWaalsContact N-CD1 3.33Å; A156-P339 HydrophobicContact CB-CG 4.23Å |
| 157 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 178.8 | -176.8 | 59.5 | 0 | 0 | 0 | 112.9 | S153 T154 G159 Q160 H161 L171 I200 I206 A230 P339 V341 | S153-L157 PolarHBondContact O-N 2.91Å; T154-L157 CarbonylContact O-C 3.57Å; T154-L157 PolarHBondContact O-N 2.61Å; L157-G159 VanDerWaalsContact C-N 3.34Å; L157-Q160 PolarHBondContact O-N 3.25Å; L157-H161 WeakPolarHBondContact O-CB 3.35Å; L157-H161 PolarHBondContact O-N 3.34Å; L157-L171 HydrophobicContact CB-CD1 3.92Å; L157-L171 HydrophobicContact CD2-CD1 3.66Å; L157-L171 HydrophobicContact CG-CD1 3.65Å; L157-I200 HydrophobicContact CD2-CD1 3.6Å; L157-I200 HydrophobicContact CD2-CG2 3.97Å; L157-I206 HydrophobicContact CD2-CG2 3.83Å; L157-A230 HydrophobicContact CD1-CB 4.46Å; L157-A230 HydrophobicContact CD2-CB 4.09Å; L157-A230 HydrophobicContact CG-CB 4.07Å; L157-P339 VanDerWaalsContact CA-CG 3.46Å; L157-P339 HydrophobicContact CB-CG 3.83Å; L157-P339 HydrophobicContact CD1-CB 3.98Å; L157-P339 HydrophobicContact CD1-CG 3.94Å; L157-V341 HydrophobicContact CD1-CG1 3.46Å; L157-V341 VanDerWaalsContact CD1-CG1 3.46Å |
| 158 | E | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.1 | -48.7 | 172.5 | -70.8 | 175.5 | 163.9 | 0 | 0 | 110.7 | T137 T154 A156 H161 F162 V169 S170 L171 | T137-E158 WeakPolarHBondContact CB-OE2 3.17Å; T137-E158 HydrophobicContact CG2-CB 4.47Å; T137-E158 VanDerWaalsContact CG2-CD 3.47Å; T137-E158 HydrophobicContact CG2-CG 4.3Å; T137-E158 WeakPolarHBondContact CG2-OE2 3.25Å; T137-E158 PolarHBondContact OG1-OE2 3.06Å; T154-E158 WeakPolarHBondContact O-CB 3.39Å; T154-E158 WeakPolarHBondContact O-CG 3.22Å; T154-E158 PolarHBondContact O-N 3.17Å; A156-E158 VanDerWaalsContact C-N 3.34Å; A156-E158 PolarHBondContact O-N 3.4Å; E158-H161 PolarHBondContact O-N 3.08Å; E158-F162 WeakPolarHBondContact O-CB 3.13Å; E158-F162 PolarHBondContact O-N 3.02Å; E158-V169 VanDerWaalsContact CG-O 3.32Å; E158-V169 WeakPolarHBondContact CG-O 3.4Å; E158-S170 WeakPolarHBondContact OE1-CA 3.45Å; E158-L171 HydrophobicContact CG-CB 4.2Å; E158-L171 HydrophobicContact CG-CD1 3.8Å; E158-L171 HydrophobicContact CG-CG 3.71Å; E158-L171 PolarHBondContact OE1-N 3.1Å |
| 159 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A135 G155 A156 L157 F162 R163 | A135-G159 WeakPolarHBondContact O-CA 3.08Å; G155-G159 PolarHBondContact O-N 3.38Å; A156-G159 PolarHBondContact O-N 3.12Å; A156-G159 VanDerWaalsContact O-N 3.17Å; L157-G159 VanDerWaalsContact C-N 3.34Å; G159-F162 PolarHBondContact O-N 3.39Å; G159-R163 WeakPolarHBondContact O-CB 3.47Å; G159-R163 VanDerWaalsContact O-CG 3.25Å; G159-R163 WeakPolarHBondContact O-CG 3.28Å; G159-R163 PolarHBondContact O-N 3.4Å |
| 160 | Q | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 178.4 | -60.9 | -51.5 | -36.6 | 0 | 0 | 111.8 | A156 L157 F162 R163 K164 P255 P339 V341 | A156-Q160 VanDerWaalsContact O-CG 3.3Å; A156-Q160 WeakPolarHBondContact O-CG 3.3Å; A156-Q160 PolarHBondContact O-N 3.19Å; L157-Q160 PolarHBondContact O-N 3.25Å; Q160-F162 PolarHBondContact O-N 2.62Å; Q160-R163 WeakPolarHBondContact O-CB 3.24Å; Q160-R163 PolarHBondContact O-N 2.89Å; Q160-K164 PolarHBondContact O-N 3.38Å; Q160-K164 VanDerWaalsContact O-N 3.1Å; Q160-P255 PolarHBondContact NE2-O 3.19Å; Q160-P339 HydrophobicContact CB-CG 4.38Å; Q160-P339 HydrophobicContact CG-CG 3.93Å; Q160-P339 WeakPolarHBondContact CG-O 3.38Å; Q160-V341 HydrophobicContact CB-CG1 3.81Å; Q160-V341 HydrophobicContact CB-CG2 3.98Å; Q160-V341 WeakPolarHBondContact O-CG2 3.49Å |
| 161 | H | 98.6 | Very high | 98.5 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 174.8 | 179.9 | 84.6 | 0 | 0 | 0 | 111 | L157 E158 R163 K164 S165 V167 A230 | L157-H161 WeakPolarHBondContact O-CB 3.35Å; L157-H161 PolarHBondContact O-N 3.34Å; E158-H161 PolarHBondContact O-N 3.08Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 2.87Å; H161-K164 PolarHBondContact O-N 2.83Å; H161-K164 VanDerWaalsContact O-N 3.1Å; H161-S165 PolarHBondContact CD2-OG 2.85Å; H161-S165 PolarHBondContact NE2-OG 3.48Å; H161-S165 VanDerWaalsContact NE2-OG 3.15Å; H161-S165 PolarHBondContact O-N 3.17Å; H161-S165 PolarHBondContact O-OG 2.77Å; H161-V167 PolarHBondContact CD2-O 2.84Å; H161-V167 VanDerWaalsContact CD2-O 3.29Å; H161-A230 HydrophobicContact CB-CB 4.18Å |
| 162 | F | 98.7 | Very high | 98.5 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 18% | 0.18 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -43.3 | 175.5 | 173.3 | -94.8 | 0 | 0 | 0 | 112 | K133 G134 A135 E158 G159 Q160 K164 S165 G166 L168 | K133-F162 VanDerWaalsContact O-CE1 3.27Å; K133-F162 WeakPolarHBondContact O-CE1 3.25Å; K133-F162 WeakPolarHBondContact O-CZ 3.4Å; G134-F162 WeakPolarHBondContact O-CE2 3.37Å; A135-F162 VanDerWaalsContact CA-CD1 3.46Å; A135-F162 HydrophobicContact CB-CD1 3.3Å; A135-F162 HydrophobicContact CB-CE1 3.72Å; A135-F162 HydrophobicContact CB-CG 4.09Å; E158-F162 WeakPolarHBondContact O-CB 3.13Å; E158-F162 PolarHBondContact O-N 3.02Å; G159-F162 PolarHBondContact O-N 3.39Å; Q160-F162 PolarHBondContact O-N 2.62Å; F162-K164 PolarHBondContact O-N 2.93Å; F162-S165 PolarHBondContact O-N 3.29Å; F162-G166 WeakPolarHBondContact CE2-O 3.49Å; F162-G166 VanDerWaalsContact O-CA 3.28Å; F162-G166 WeakPolarHBondContact O-CA 3.35Å; F162-G166 PolarHBondContact O-N 2.65Å; F162-L168 HydrophobicContact CB-CD1 4.08Å; F162-L168 HydrophobicContact CD2-CB 3.81Å; F162-L168 HydrophobicContact CD2-CD1 4.47Å; F162-L168 HydrophobicContact CE2-CB 4.43Å; F162-L168 HydrophobicContact CG-CD1 4.44Å |
| 163 | R | 97.5 | Very high | 98.5 | Very high | 109 Ų | 109 | 31.8 Ų | 31.8 | 41% | 0.411 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.4 | -33.6 | 176.9 | -78.8 | -68.1 | -39.1 | -97.1 | -0.2 | 112.9 | W130 G159 Q160 H161 T252 V253 | W130-R163 VanDerWaalsContact CZ3-CD 3.47Å; G159-R163 WeakPolarHBondContact O-CB 3.47Å; G159-R163 VanDerWaalsContact O-CG 3.25Å; G159-R163 WeakPolarHBondContact O-CG 3.28Å; G159-R163 PolarHBondContact O-N 3.4Å; Q160-R163 WeakPolarHBondContact O-CB 3.24Å; Q160-R163 PolarHBondContact O-N 2.89Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 2.87Å; R163-T252 PolarHBondContact NH1-O 2.69Å; R163-V253 PolarHBondContact NH1-O 2.9Å |
| 164 | K | 97.3 | Very high | 98.5 | Very high | 129 Ų | 129 | 31.8 Ų | 31.8 | 56% | 0.561 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -83.4 | -44.3 | 178.8 | 176.1 | -178.2 | 175.5 | -178.8 | 0 | 112.9 | Q160 H161 F162 V341 | Q160-K164 PolarHBondContact O-N 3.38Å; Q160-K164 VanDerWaalsContact O-N 3.1Å; H161-K164 PolarHBondContact O-N 2.83Å; H161-K164 VanDerWaalsContact O-N 3.1Å; F162-K164 PolarHBondContact O-N 2.93Å; K164-V341 HydrophobicContact CB-CG2 3.83Å; K164-V341 HydrophobicContact CD-CB 4.06Å; K164-V341 HydrophobicContact CD-CG2 3.82Å; K164-V341 HydrophobicContact CG-CG2 4.45Å; K164-V341 PolarHBondContact NZ-OXT 3.45Å |
| 165 | S | 97.3 | Very high | 98.5 | Very high | 55 Ų | 55 | 31.8 Ų | 31.8 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -102.5 | -20.7 | -168.3 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | H161 F162 V167 | H161-S165 PolarHBondContact CD2-OG 2.85Å; H161-S165 PolarHBondContact NE2-OG 3.48Å; H161-S165 VanDerWaalsContact NE2-OG 3.15Å; H161-S165 PolarHBondContact O-N 3.17Å; H161-S165 PolarHBondContact O-OG 2.77Å; F162-S165 PolarHBondContact O-N 3.29Å; S165-V167 PolarHBondContact O-N 2.75Å; S165-V167 PolarHBondContact OG-N 3.02Å; S165-V167 PolarHBondContact OG-O 3.27Å |
| 166 | G | 97.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 31.6 Ų | 31.6 | 55% | 0.546 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 73.8 | 3.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F162 | F162-G166 WeakPolarHBondContact CE2-O 3.49Å; F162-G166 VanDerWaalsContact O-CA 3.28Å; F162-G166 WeakPolarHBondContact O-CA 3.35Å; F162-G166 PolarHBondContact O-N 2.65Å |
| 167 | V | 97.8 | Very high | 98.4 | Very high | 84 Ų | 84 | 31.7 Ų | 31.7 | 51% | 0.509 | 18% | 0.175 | S | C | . | . | trans | -112.6 | 121.3 | -178.1 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | H161 S165 V169 | H161-V167 PolarHBondContact CD2-O 2.84Å; H161-V167 VanDerWaalsContact CD2-O 3.29Å; S165-V167 PolarHBondContact O-N 2.75Å; S165-V167 PolarHBondContact OG-N 3.02Å; S165-V167 PolarHBondContact OG-O 3.27Å; V167-V169 HydrophobicContact CG1-CG2 3.96Å | ||
| 168 | L | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 32.2 Ų | 32.2 | 34% | 0.335 | 18% | 0.178 | S | C | . | . | trans | -87 | 114.5 | 176.6 | -173.2 | 66.1 | 0 | 0 | 0 | 108.4 | G134 T137 F162 | G134-L168 WeakPolarHBondContact O-CD2 3.33Å; T137-L168 HydrophobicContact CG2-CD1 3.98Å; T137-L168 HydrophobicContact CG2-CD2 4.06Å; T137-L168 HydrophobicContact CG2-CG 3.91Å; F162-L168 HydrophobicContact CB-CD1 4.08Å; F162-L168 HydrophobicContact CD2-CB 3.81Å; F162-L168 HydrophobicContact CD2-CD1 4.47Å; F162-L168 HydrophobicContact CE2-CB 4.43Å; F162-L168 HydrophobicContact CG-CD1 4.44Å | ||
| 169 | V | 98.4 | Very high | 98.4 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 19% | 0.188 | 18% | 0.182 | C | C | . | . | trans | -113.2 | 127.1 | 179.6 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | E158 V167 L171 T208 | E158-V169 VanDerWaalsContact CG-O 3.32Å; E158-V169 WeakPolarHBondContact CG-O 3.4Å; V167-V169 HydrophobicContact CG1-CG2 3.96Å; V169-L171 HydrophobicContact CB-CD2 4.44Å; V169-L171 HydrophobicContact CG1-CD2 3.98Å; V169-T208 HydrophobicContact CG1-CG2 3.7Å | ||
| 170 | S | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 32.8 Ų | 32.8 | 29% | 0.287 | 18% | 0.182 | S | C | . | . | trans | -77.2 | 123.2 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | K140 E158 T208 E209 | K140-S170 WeakPolarHBondContact CE-OG 3.41Å; K140-S170 PolarHBondContact NZ-OG 3.37Å; E158-S170 WeakPolarHBondContact OE1-CA 3.45Å; S170-T208 WeakPolarHBondContact O-CA 3.45Å; S170-E209 PolarHBondContact O-N 3.11Å; S170-E209 WeakPolarHBondContact OG-CB 3.41Å | ||
| 171 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -97.1 | 158.6 | -176.5 | -57.1 | 176.8 | 0 | 0 | 0 | 111.1 | K140 T154 L157 E158 V169 I206 A230 | K140-L171 PolarHBondContact NZ-O 3.42Å; T154-L171 HydrophobicContact CG2-CB 4.05Å; L157-L171 HydrophobicContact CB-CD1 3.92Å; L157-L171 HydrophobicContact CD2-CD1 3.66Å; L157-L171 HydrophobicContact CG-CD1 3.65Å; E158-L171 HydrophobicContact CG-CB 4.2Å; E158-L171 HydrophobicContact CG-CD1 3.8Å; E158-L171 HydrophobicContact CG-CG 3.71Å; E158-L171 PolarHBondContact OE1-N 3.1Å; V169-L171 HydrophobicContact CB-CD2 4.44Å; V169-L171 HydrophobicContact CG1-CD2 3.98Å; L171-I206 HydrophobicContact CB-CD1 4.37Å; L171-I206 HydrophobicContact CB-CG2 4.41Å; L171-I206 HydrophobicContact CD1-CG2 3.93Å; L171-I206 HydrophobicContact CD2-CG2 4.05Å; L171-I206 HydrophobicContact CG-CG2 4.34Å; L171-A230 HydrophobicContact CD1-CB 3.84Å; L171-A230 HydrophobicContact CD2-CB 3.81Å; L171-A230 HydrophobicContact CG-CB 4.48Å |
| 172 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -86.5 | 111.1 | -175.6 | 173.7 | 0 | 0 | 0 | 0 | 112 | Q174 N175 I206 D207 Y212 | S172-Q174 VanDerWaalsContact C-N 3.27Å; S172-Q174 PolarHBondContact OG-N 3.22Å; S172-N175 WeakPolarHBondContact OG-CB 3.24Å; S172-N175 PolarHBondContact OG-N 3.45Å; S172-I206 WeakPolarHBondContact O-CD1 3.41Å; S172-D207 WeakPolarHBondContact CB-O 3.34Å; S172-D207 PolarHBondContact N-O 2.94Å; S172-Y212 WeakPolarHBondContact CB-O 3.08Å; S172-Y212 PolarHBondContact OG-O 2.69Å | ||
| 173 | E | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -31.7 | 168.5 | -66.7 | 79.1 | -166.5 | 0 | 0 | 111.7 | K140 A150 F151 T154 N175 L176 V177 Y214 | K140-E173 IonicContact NZ-OE1 3.52Å; K140-E173 PolarHBondContact NZ-OE1 3Å; K140-E173 IonicContact NZ-OE2 2.79Å; K140-E173 PolarHBondContact NZ-OE2 3.42Å; A150-E173 HydrophobicContact CB-CB 3.93Å; A150-E173 HydrophobicContact CB-CG 4.13Å; F151-E173 HydrophobicContact CB-CG 4.32Å; F151-E173 HydrophobicContact CD1-CG 3.63Å; F151-E173 HydrophobicContact CD2-CB 4.44Å; F151-E173 HydrophobicContact CD2-CG 3.94Å; F151-E173 HydrophobicContact CE1-CB 4.39Å; F151-E173 HydrophobicContact CE1-CG 3.75Å; F151-E173 HydrophobicContact CE2-CB 4.16Å; F151-E173 HydrophobicContact CE2-CG 4.04Å; F151-E173 HydrophobicContact CG-CG 3.72Å; F151-E173 HydrophobicContact CZ-CB 4.14Å; F151-E173 HydrophobicContact CZ-CG 3.95Å; T154-E173 WeakPolarHBondContact CB-OE1 3.13Å; T154-E173 HydrophobicContact CG2-CG 3.87Å; T154-E173 PolarHBondContact OG1-OE1 2.6Å; E173-N175 VanDerWaalsContact C-N 3.29Å; E173-N175 PolarHBondContact O-N 2.8Å; E173-L176 WeakPolarHBondContact O-CA 3.25Å; E173-L176 WeakPolarHBondContact O-CB 3.44Å; E173-L176 PolarHBondContact O-N 3.14Å; E173-V177 WeakPolarHBondContact O-CG2 3.25Å; E173-V177 PolarHBondContact O-N 3.12Å; E173-Y214 HydrophobicContact CB-CD2 3.9Å; E173-Y214 HydrophobicContact CB-CE2 4.22Å |
| 174 | Q | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 178.4 | -163.8 | 60.7 | 47.5 | 0 | 0 | 111.8 | S172 L176 V177 D178 Y212 P213 Y214 I217 | S172-Q174 VanDerWaalsContact C-N 3.27Å; S172-Q174 PolarHBondContact OG-N 3.22Å; Q174-L176 PolarHBondContact O-N 3.37Å; Q174-V177 PolarHBondContact O-N 2.85Å; Q174-V177 VanDerWaalsContact O-N 3.15Å; Q174-D178 WeakPolarHBondContact CG-OD2 3.39Å; Q174-D178 VanDerWaalsContact NE2-CG 3.33Å; Q174-D178 PolarHBondContact NE2-OD1 2.91Å; Q174-D178 PolarHBondContact NE2-OD2 3.01Å; Q174-D178 PolarHBondContact O-N 3.39Å; Q174-Y212 HydrophobicContact CB-CD2 3.79Å; Q174-Y212 HydrophobicContact CB-CE2 3.78Å; Q174-Y212 HydrophobicContact CG-CD2 3.84Å; Q174-Y212 HydrophobicContact CG-CE2 3.39Å; Q174-P213 WeakPolarHBondContact CB-O 3.37Å; Q174-Y214 HydrophobicContact CB-CD2 4.38Å; Q174-I217 PolarHBondContact NE2-O 2.9Å |
| 175 | N | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.3 | -40 | 173.6 | -177 | -165.6 | 0 | 0 | 0 | 111.5 | S172 E173 C179 Y199 I206 D207 Y212 F223 | S172-N175 WeakPolarHBondContact OG-CB 3.24Å; S172-N175 PolarHBondContact OG-N 3.45Å; E173-N175 VanDerWaalsContact C-N 3.29Å; E173-N175 PolarHBondContact O-N 2.8Å; N175-C179 PolarHBondContact ND2-SG 2.85Å; N175-C179 WeakPolarHBondContact O-CB 2.99Å; N175-C179 PolarHBondContact O-N 2.8Å; N175-C179 VanDerWaalsContact O-N 3.07Å; N175-C179 PolarHBondContact O-SG 3.37Å; N175-C179 VanDerWaalsContact O-SG 3.4Å; N175-Y199 PolarHBondContact ND2-OH 2.82Å; N175-I206 HydrophobicContact CB-CG1 4.17Å; N175-I206 WeakPolarHBondContact OD1-CA 3.27Å; N175-I206 VanDerWaalsContact OD1-CG1 3.3Å; N175-I206 WeakPolarHBondContact OD1-CG1 3.33Å; N175-D207 HydrophobicContact CB-CB 4.36Å; N175-D207 PolarHBondContact OD1-N 3.22Å; N175-Y212 HydrophobicContact CB-CD1 3.85Å; N175-Y212 HydrophobicContact CB-CE1 4.02Å; N175-Y212 HydrophobicContact CB-CG 4.4Å; N175-F223 WeakPolarHBondContact OD1-CD2 3.48Å |
| 176 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.8 | -46 | 176.2 | -62.9 | 179.9 | 0 | 0 | 0 | 111.7 | W149 A150 T154 E173 Q174 D178 S180 A196 Y199 I200 I206 | W149-L176 HydrophobicContact CH2-CB 3.91Å; W149-L176 HydrophobicContact CZ3-CB 3.82Å; W149-L176 HydrophobicContact CZ3-CD1 4.49Å; A150-L176 HydrophobicContact CB-CB 4.05Å; A150-L176 HydrophobicContact CB-CD1 4.02Å; T154-L176 HydrophobicContact CG2-CD1 3.79Å; E173-L176 WeakPolarHBondContact O-CA 3.25Å; E173-L176 WeakPolarHBondContact O-CB 3.44Å; E173-L176 PolarHBondContact O-N 3.14Å; Q174-L176 PolarHBondContact O-N 3.37Å; L176-D178 VanDerWaalsContact C-N 3.28Å; L176-D178 PolarHBondContact O-N 2.81Å; L176-S180 VanDerWaalsContact O-CB 3.32Å; L176-S180 WeakPolarHBondContact O-CB 3.04Å; L176-S180 PolarHBondContact O-N 3.38Å; L176-S180 VanDerWaalsContact O-N 3.16Å; L176-S180 PolarHBondContact O-OG 2.93Å; L176-A196 HydrophobicContact CD1-CB 3.96Å; L176-A196 HydrophobicContact CD2-CB 4.15Å; L176-Y199 HydrophobicContact CD2-CD1 3.52Å; L176-Y199 HydrophobicContact CD2-CE1 3.77Å; L176-I200 HydrophobicContact CD2-CD1 4Å; L176-I200 HydrophobicContact CD2-CG1 3.86Å; L176-I206 HydrophobicContact CD1-CD1 4.12Å; L176-I206 HydrophobicContact CD2-CD1 3.8Å; L176-I206 HydrophobicContact CG-CD1 3.73Å |
| 177 | V | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.5 | -47.7 | 179.2 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | W149 A150 E173 Q174 Y214 I217 | W149-V177 HydrophobicContact CZ2-CG2 4.36Å; A150-V177 HydrophobicContact CB-CG2 4.43Å; E173-V177 WeakPolarHBondContact O-CG2 3.25Å; E173-V177 PolarHBondContact O-N 3.12Å; Q174-V177 PolarHBondContact O-N 2.85Å; Q174-V177 VanDerWaalsContact O-N 3.15Å; V177-Y214 HydrophobicContact CG2-CE2 4.48Å; V177-I217 WeakPolarHBondContact CG1-O 3.38Å |
| 178 | D | 98.7 | Very high | 97.7 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -84.4 | -32.8 | -172.8 | -61.1 | -18.1 | 0 | 0 | 0 | 114 | Q174 L176 Y212 D219 C221 | Q174-D178 WeakPolarHBondContact CG-OD2 3.39Å; Q174-D178 VanDerWaalsContact NE2-CG 3.33Å; Q174-D178 PolarHBondContact NE2-OD1 2.91Å; Q174-D178 PolarHBondContact NE2-OD2 3.01Å; Q174-D178 PolarHBondContact O-N 3.39Å; L176-D178 VanDerWaalsContact C-N 3.28Å; L176-D178 PolarHBondContact O-N 2.81Å; D178-Y212 WeakPolarHBondContact CB-OH 3.45Å; D178-Y212 PolarHBondContact OD2-OH 3.42Å; D178-D219 WeakPolarHBondContact CB-O 3.21Å; D178-D219 PolarHBondContact OD1-N 2.77Å; D178-C221 HydrophobicContact CB-CB 4.36Å |
| 179 | C | 98.7 | Very high | 97.5 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 10% | 0.101 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -106 | -16.8 | -166.3 | -58.7 | 0 | 0 | 0 | 0 | 115.1 | N175 T181 Y199 C221 | N175-C179 PolarHBondContact ND2-SG 2.85Å; N175-C179 WeakPolarHBondContact O-CB 2.99Å; N175-C179 PolarHBondContact O-N 2.8Å; N175-C179 VanDerWaalsContact O-N 3.07Å; N175-C179 PolarHBondContact O-SG 3.37Å; N175-C179 VanDerWaalsContact O-SG 3.4Å; C179-T181 PolarHBondContact O-N 3.33Å; C179-Y199 HydrophobicContact CB-CE1 4.35Å; C179-Y199 HydrophobicContact CB-CE2 3.64Å; C179-Y199 VanDerWaalsContact CB-CZ 3.47Å; C179-Y199 WeakPolarHBondContact CB-OH 3.39Å; C179-C221 HydrophobicContact CB-CB 3.86Å; C179-C221 WeakPolarHBondContact CB-SG 3.45Å; C179-C221 WeakPolarHBondContact SG-CA 3.34Å; C179-C221 WeakPolarHBondContact SG-CB 3.49Å; C179-C221 CovalentContact SG-SG 2.03Å; C179-C221 PolarHBondContact SG-SG 3.01Å |
| 180 | S | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -91.3 | 8.3 | -172.1 | 71.2 | 0 | 0 | 0 | 0 | 114.8 | W149 L176 K182 Y183 N185 | W149-S180 WeakPolarHBondContact CH2-OG 3.35Å; L176-S180 VanDerWaalsContact O-CB 3.32Å; L176-S180 WeakPolarHBondContact O-CB 3.04Å; L176-S180 PolarHBondContact O-N 3.38Å; L176-S180 VanDerWaalsContact O-N 3.16Å; L176-S180 PolarHBondContact O-OG 2.93Å; S180-K182 VanDerWaalsContact C-N 3.27Å; S180-K182 PolarHBondContact O-N 3.5Å; S180-Y183 WeakPolarHBondContact O-CB 3.47Å; S180-Y183 PolarHBondContact O-N 3.31Å; S180-N185 VanDerWaalsContact OG-CB 3.29Å; S180-N185 WeakPolarHBondContact OG-CB 3.26Å; S180-N185 PolarHBondContact OG-ND2 2.76Å | ||
| 181 | T | 96.7 | Very high | 97.4 | Very high | 81 Ų | 81 | 30.1 Ų | 30.1 | 50% | 0.497 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -57.4 | -37.3 | -176.9 | -42 | 0 | 0 | 0 | 0 | 113.7 | C179 Y183 G184 N185 | C179-T181 PolarHBondContact O-N 3.33Å; T181-Y183 PolarHBondContact O-N 2.97Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; T181-G184 PolarHBondContact O-N 3.15Å; T181-N185 VanDerWaalsContact CA-O 3.27Å; T181-N185 WeakPolarHBondContact CA-O 3.21Å |
| 182 | K | 95.8 | Very high | 97.3 | Very high | 201 Ų | 201 | 30.2 Ų | 30.2 | 87% | 0.874 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -64.1 | -15.7 | 177.3 | -67.1 | 179.8 | -178.3 | 172.9 | 0 | 113.8 | S180 | S180-K182 VanDerWaalsContact C-N 3.27Å; S180-K182 PolarHBondContact O-N 3.5Å |
| 183 | Y | 95 | Very high | 97.3 | Very high | 60 Ų | 60 | 30.5 Ų | 30.5 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -97.7 | 1.7 | 178.5 | -63.6 | -97.9 | 0 | 0 | 0 | 112.3 | S180 T181 N195 R198 Y199 D202 | S180-Y183 WeakPolarHBondContact O-CB 3.47Å; S180-Y183 PolarHBondContact O-N 3.31Å; T181-Y183 PolarHBondContact O-N 2.97Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; Y183-N195 PolarHBondContact O-ND2 2.74Å; Y183-R198 HydrophobicContact CD1-CB 3.91Å; Y183-R198 HydrophobicContact CE1-CB 4.31Å; Y183-Y199 AromaticContact CD2-CD2 3.94Å; Y183-Y199 HydrophobicContact CD2-CD2 3.94Å; Y183-Y199 HydrophobicContact CD2-CG 4.27Å; Y183-Y199 AromaticContact CE2-CD2 3.66Å; Y183-Y199 HydrophobicContact CE2-CD2 3.66Å; Y183-Y199 HydrophobicContact CE2-CG 4.28Å; Y183-D202 HydrophobicContact CE1-CB 4.23Å; Y183-D202 WeakPolarHBondContact OH-CB 3.48Å |
| 184 | G | 93.7 | Very high | 97.3 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 29% | 0.289 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 4.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L100 T181 N186 | L100-G184 WeakPolarHBondContact CD2-O 3.39Å; T181-G184 PolarHBondContact O-N 3.15Å; G184-N186 PolarHBondContact O-ND2 2.85Å |
| 185 | N | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -79.8 | 150.5 | 168.9 | -67.5 | -27.2 | 0 | 0 | 0 | 110.3 | W149 S180 T181 G191 L192 N195 | W149-N185 HydrophobicContact CH2-CB 3.79Å; W149-N185 HydrophobicContact CZ2-CB 4.05Å; W149-N185 HydrophobicContact CZ3-CB 4.12Å; W149-N185 WeakPolarHBondContact CZ3-ND2 3.08Å; S180-N185 VanDerWaalsContact OG-CB 3.29Å; S180-N185 WeakPolarHBondContact OG-CB 3.26Å; S180-N185 PolarHBondContact OG-ND2 2.76Å; T181-N185 VanDerWaalsContact CA-O 3.27Å; T181-N185 WeakPolarHBondContact CA-O 3.21Å; N185-G191 VanDerWaalsContact OD1-CA 3.26Å; N185-G191 WeakPolarHBondContact OD1-CA 3.4Å; N185-L192 PolarHBondContact OD1-N 3.05Å; N185-L192 PolarHBondContact OD1-O 2.67Å; N185-N195 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 186 | N | 96.7 | Very high | 97.2 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 40% | 0.396 | 16% | 0.164 | S | C | . | . | trans | -124.2 | 35.6 | -176.1 | -56.2 | -74.1 | 0 | 0 | 0 | 111.4 | G184 C188 N189 G190 | G184-N186 PolarHBondContact O-ND2 2.85Å; N186-C188 PolarHBondContact O-N 2.89Å; N186-N189 HydrophobicContact CB-CB 4.05Å; N186-N189 WeakPolarHBondContact O-CA 3.43Å; N186-N189 WeakPolarHBondContact O-CB 3.21Å; N186-N189 PolarHBondContact O-N 2.98Å; N186-G190 CarbonylContact C-O 3.51Å; N186-G190 WeakPolarHBondContact CA-O 3.2Å; N186-G190 PolarHBondContact N-O 3.37Å | ||
| 187 | G | 96.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | 56.1 | -123 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W149 N189 G190 D218 | W149-G187 PolarHBondContact NE1-O 2.97Å; W149-G187 VanDerWaalsContact NE1-O 3.1Å; G187-N189 PolarHBondContact O-N 2.89Å; G187-G190 PolarHBondContact O-N 2.9Å; G187-D218 WeakPolarHBondContact CA-OD1 3.42Å |
| 188 | C | 96.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 33 Ų | 33 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -68.2 | -12.3 | 176.3 | -69.2 | 0 | 0 | 0 | 0 | 114.4 | C145 G146 N186 G190 D218 | C145-C188 HydrophobicContact CB-CB 3.93Å; C145-C188 WeakPolarHBondContact CB-SG 3.35Å; C145-C188 WeakPolarHBondContact SG-CA 3.04Å; C145-C188 WeakPolarHBondContact SG-CB 3.32Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 2.86Å; G146-C188 WeakPolarHBondContact CA-O 3.46Å; G146-C188 PolarHBondContact N-O 2.69Å; N186-C188 PolarHBondContact O-N 2.89Å; C188-G190 VanDerWaalsContact C-N 3.28Å; C188-D218 PolarHBondContact N-OD1 3.07Å |
| 189 | N | 95.8 | Very high | 97.2 | Very high | 130 Ų | 130 | 32.8 Ų | 32.8 | 70% | 0.695 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -92.6 | 13.4 | 174.2 | -56.6 | -74.5 | 0 | 0 | 0 | 112.6 | N186 G187 | N186-N189 HydrophobicContact CB-CB 4.05Å; N186-N189 WeakPolarHBondContact O-CA 3.43Å; N186-N189 WeakPolarHBondContact O-CB 3.21Å; N186-N189 PolarHBondContact O-N 2.98Å; G187-N189 PolarHBondContact O-N 2.89Å |
| 190 | G | 96.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | 100.4 | 169.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G95 G146 W149 N186 G187 C188 | G95-G190 CarbonylContact O-C 3.59Å; G95-G190 WeakPolarHBondContact O-CA 3.5Å; G146-G190 WeakPolarHBondContact O-CA 3.45Å; W149-G190 VanDerWaalsContact NE1-C 3.32Å; N186-G190 CarbonylContact C-O 3.51Å; N186-G190 WeakPolarHBondContact CA-O 3.2Å; N186-G190 PolarHBondContact N-O 3.37Å; G187-G190 PolarHBondContact O-N 2.9Å; C188-G190 VanDerWaalsContact C-N 3.28Å | ||
| 191 | G | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -177.2 | -172 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G95 N97 W149 N185 | G95-G191 PolarHBondContact O-N 2.83Å; N97-G191 PolarHBondContact N-O 3.35Å; W149-G191 WeakPolarHBondContact CB-O 3.46Å; W149-G191 VanDerWaalsContact CG-C 3.49Å; N185-G191 VanDerWaalsContact OD1-CA 3.26Å; N185-G191 WeakPolarHBondContact OD1-CA 3.4Å |
| 192 | L | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | trans | -133 | 140.7 | -173.8 | -58.1 | 179.9 | 0 | 0 | 0 | 110.8 | F96 N97 L100 H101 L104 N185 D194 N195 A196 | F96-L192 HydrophobicContact CD2-CD2 3.91Å; F96-L192 HydrophobicContact CE2-CD2 3.5Å; F96-L192 HydrophobicContact CZ-CD2 3.99Å; N97-L192 WeakPolarHBondContact O-CD2 3.41Å; L100-L192 HydrophobicContact CD2-CD1 4.39Å; L100-L192 HydrophobicContact CG-CD1 4.25Å; H101-L192 HydrophobicContact CB-CD1 3.99Å; H101-L192 HydrophobicContact CB-CD2 3.69Å; L104-L192 HydrophobicContact CD1-CD1 3.99Å; N185-L192 PolarHBondContact OD1-N 3.05Å; N185-L192 PolarHBondContact OD1-O 2.67Å; L192-D194 PolarHBondContact O-N 2.69Å; L192-N195 HydrophobicContact CB-CB 4.14Å; L192-N195 PolarHBondContact O-N 3.08Å; L192-A196 PolarHBondContact O-N 3.01Å; L192-A196 VanDerWaalsContact O-N 3.14Å | ||
| 193 | M | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 179.4 | -60.5 | 79.8 | 81.6 | 0 | 0 | 112.3 | F96 W149 S153 N195 A196 F197 V258 A259 | F96-M193 HydrophobicContact CD2-CE 4.13Å; F96-M193 HydrophobicContact CD2-SD 3.65Å; F96-M193 HydrophobicContact CE2-CE 3.91Å; F96-M193 HydrophobicContact CE2-SD 3.8Å; W149-M193 HydrophobicContact CB-SD 4.21Å; S153-M193 WeakPolarHBondContact OG-CA 3.3Å; S153-M193 WeakPolarHBondContact OG-CB 3.37Å; S153-M193 WeakPolarHBondContact OG-CG 3.47Å; M193-N195 VanDerWaalsContact C-N 3.29Å; M193-N195 PolarHBondContact O-N 3.08Å; M193-A196 WeakPolarHBondContact O-CA 3.32Å; M193-A196 WeakPolarHBondContact O-CB 3.18Å; M193-A196 PolarHBondContact O-N 3.32Å; M193-F197 HydrophobicContact CB-CE2 4.07Å; M193-F197 HydrophobicContact CB-CZ 4.17Å; M193-F197 VanDerWaalsContact O-CD2 3.31Å; M193-F197 WeakPolarHBondContact O-CD2 3.45Å; M193-F197 WeakPolarHBondContact O-CG 3.47Å; M193-F197 PolarHBondContact O-N 2.76Å; M193-V258 VanDerWaalsContact CE-C 3.43Å; M193-V258 WeakPolarHBondContact CE-O 3.29Å; M193-A259 HydrophobicContact CE-CB 4.21Å |
| 194 | D | 98.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -39.7 | 176.7 | -60.3 | -5.7 | 0 | 0 | 0 | 112.5 | H101 R105 L192 A196 F197 R198 F235 S337 | H101-D194 IonicContact CE1-OD2 3.95Å; H101-D194 PolarHBondContact CE1-OD2 3.19Å; R105-D194 IonicContact NH1-OD2 3.1Å; R105-D194 PolarHBondContact NH1-OD2 3.17Å; R105-D194 VanDerWaalsContact NH1-OD2 3.1Å; L192-D194 PolarHBondContact O-N 2.69Å; D194-A196 VanDerWaalsContact C-N 3.33Å; D194-F197 PolarHBondContact O-N 3.4Å; D194-R198 WeakPolarHBondContact O-CG 3.41Å; D194-R198 PolarHBondContact O-N 2.85Å; D194-F235 HydrophobicContact CB-CD2 4.22Å; D194-F235 HydrophobicContact CB-CE1 4.49Å; D194-F235 HydrophobicContact CB-CE2 3.62Å; D194-F235 HydrophobicContact CB-CZ 3.8Å; D194-F235 VanDerWaalsContact CG-CE2 3.45Å; D194-S337 WeakPolarHBondContact OD1-CB 3.46Å; D194-S337 PolarHBondContact OD1-OG 2.85Å |
| 195 | N | 97.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68 | -36.1 | 177.2 | -72.8 | -5 | 0 | 0 | 0 | 111.6 | Y183 N185 L192 M193 R198 Y199 | Y183-N195 PolarHBondContact O-ND2 2.74Å; N185-N195 WeakPolarHBondContact OD1-CB 3.38Å; L192-N195 HydrophobicContact CB-CB 4.14Å; L192-N195 PolarHBondContact O-N 3.08Å; M193-N195 VanDerWaalsContact C-N 3.29Å; M193-N195 PolarHBondContact O-N 3.08Å; N195-R198 PolarHBondContact O-N 3.32Å; N195-Y199 PolarHBondContact O-N 3.03Å |
| 196 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | W149 S153 L176 L192 M193 D194 R198 Y199 I200 | W149-A196 HydrophobicContact CE3-CB 4.32Å; W149-A196 HydrophobicContact CZ3-CB 4.14Å; S153-A196 WeakPolarHBondContact OG-CB 3.24Å; L176-A196 HydrophobicContact CD1-CB 3.96Å; L176-A196 HydrophobicContact CD2-CB 4.15Å; L192-A196 PolarHBondContact O-N 3.01Å; L192-A196 VanDerWaalsContact O-N 3.14Å; M193-A196 WeakPolarHBondContact O-CA 3.32Å; M193-A196 WeakPolarHBondContact O-CB 3.18Å; M193-A196 PolarHBondContact O-N 3.32Å; D194-A196 VanDerWaalsContact C-N 3.33Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.22Å; A196-Y199 WeakPolarHBondContact O-CB 3.32Å; A196-Y199 PolarHBondContact O-N 3.37Å; A196-I200 VanDerWaalsContact O-CG1 3.23Å; A196-I200 WeakPolarHBondContact O-CG1 3.11Å; A196-I200 PolarHBondContact O-N 2.77Å |
| 197 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.7 | -55.8 | -37.6 | 0 | 0 | 0 | 112.2 | A156 M193 D194 Y199 I200 K201 F235 P339 | A156-F197 HydrophobicContact CB-CZ 4.32Å; M193-F197 HydrophobicContact CB-CE2 4.07Å; M193-F197 HydrophobicContact CB-CZ 4.17Å; M193-F197 VanDerWaalsContact O-CD2 3.31Å; M193-F197 WeakPolarHBondContact O-CD2 3.45Å; M193-F197 WeakPolarHBondContact O-CG 3.47Å; M193-F197 PolarHBondContact O-N 2.76Å; D194-F197 PolarHBondContact O-N 3.4Å; F197-Y199 PolarHBondContact O-N 2.8Å; F197-I200 PolarHBondContact O-N 2.63Å; F197-K201 WeakPolarHBondContact O-CB 3.34Å; F197-K201 PolarHBondContact O-N 2.98Å; F197-F235 HydrophobicContact CB-CB 4.01Å; F197-F235 HydrophobicContact CB-CD1 3.92Å; F197-F235 HydrophobicContact CB-CG 4.17Å; F197-F235 HydrophobicContact CD2-CB 3.53Å; F197-F235 HydrophobicContact CD2-CD1 4.43Å; F197-F235 HydrophobicContact CD2-CD2 4.36Å; F197-F235 AromaticContact CD2-CG 3.88Å; F197-F235 HydrophobicContact CD2-CG 3.88Å; F197-F235 HydrophobicContact CE2-CB 4.34Å; F197-F235 HydrophobicContact CG-CB 4.06Å; F197-F235 HydrophobicContact CG-CG 4.48Å; F197-P339 HydrophobicContact CD1-CB 3.76Å; F197-P339 HydrophobicContact CD1-CG 4.17Å; F197-P339 HydrophobicContact CE1-CB 3.89Å; F197-P339 HydrophobicContact CE1-CG 3.78Å; F197-P339 HydrophobicContact CG-CB 4.2Å; F197-P339 HydrophobicContact CZ-CB 4.45Å; F197-P339 HydrophobicContact CZ-CG 4.22Å |
| 198 | R | 98 | Very high | 98.1 | Very high | 49 Ų | 49 | 26.3 Ų | 26.3 | 19% | 0.185 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 174.1 | -70.8 | 175.6 | 63 | 159.4 | 8.5 | 112.4 | S110 Y183 D194 N195 A196 I200 K201 D202 F235 | S110-R198 PolarHBondContact O-NH1 2.9Å; S110-R198 VanDerWaalsContact O-NH1 3.16Å; S110-R198 PolarHBondContact OG-NH1 2.86Å; S110-R198 PolarHBondContact OG-NH2 3.1Å; Y183-R198 HydrophobicContact CD1-CB 3.91Å; Y183-R198 HydrophobicContact CE1-CB 4.31Å; D194-R198 WeakPolarHBondContact O-CG 3.41Å; D194-R198 PolarHBondContact O-N 2.85Å; N195-R198 PolarHBondContact O-N 3.32Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.22Å; R198-I200 PolarHBondContact O-N 3.47Å; R198-K201 PolarHBondContact O-N 3.14Å; R198-D202 PolarHBondContact O-N 3.01Å; R198-D202 VanDerWaalsContact O-N 3.09Å; R198-F235 HydrophobicContact CG-CD1 4.49Å; R198-F235 HydrophobicContact CG-CE1 3.72Å |
| 199 | Y | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.4 | -50.2 | 175.5 | 160.4 | -100.4 | 0 | 0 | 0 | 111.2 | N175 L176 C179 Y183 N195 A196 F197 K201 D202 N203 | N175-Y199 PolarHBondContact ND2-OH 2.82Å; L176-Y199 HydrophobicContact CD2-CD1 3.52Å; L176-Y199 HydrophobicContact CD2-CE1 3.77Å; C179-Y199 HydrophobicContact CB-CE1 4.35Å; C179-Y199 HydrophobicContact CB-CE2 3.64Å; C179-Y199 VanDerWaalsContact CB-CZ 3.47Å; C179-Y199 WeakPolarHBondContact CB-OH 3.39Å; Y183-Y199 AromaticContact CD2-CD2 3.94Å; Y183-Y199 HydrophobicContact CD2-CD2 3.94Å; Y183-Y199 HydrophobicContact CD2-CG 4.27Å; Y183-Y199 AromaticContact CE2-CD2 3.66Å; Y183-Y199 HydrophobicContact CE2-CD2 3.66Å; Y183-Y199 HydrophobicContact CE2-CG 4.28Å; N195-Y199 PolarHBondContact O-N 3.03Å; A196-Y199 WeakPolarHBondContact O-CB 3.32Å; A196-Y199 PolarHBondContact O-N 3.37Å; F197-Y199 PolarHBondContact O-N 2.8Å; Y199-K201 VanDerWaalsContact C-N 3.31Å; Y199-K201 PolarHBondContact O-N 3.32Å; Y199-D202 PolarHBondContact O-N 2.98Å; Y199-N203 HydrophobicContact CD2-CB 4.18Å; Y199-N203 HydrophobicContact CE1-CB 4.49Å; Y199-N203 HydrophobicContact CE2-CB 3.76Å; Y199-N203 WeakPolarHBondContact O-CB 3.4Å; Y199-N203 PolarHBondContact O-N 3.17Å; Y199-N203 PolarHBondContact OH-ND2 3.41Å |
| 200 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | -176.1 | -61.8 | 167.3 | 0 | 0 | 0 | 110.8 | L157 L176 A196 F197 R198 G204 G205 I206 D232 | L157-I200 HydrophobicContact CD2-CD1 3.6Å; L157-I200 HydrophobicContact CD2-CG2 3.97Å; L176-I200 HydrophobicContact CD2-CD1 4Å; L176-I200 HydrophobicContact CD2-CG1 3.86Å; A196-I200 VanDerWaalsContact O-CG1 3.23Å; A196-I200 WeakPolarHBondContact O-CG1 3.11Å; A196-I200 PolarHBondContact O-N 2.77Å; F197-I200 PolarHBondContact O-N 2.63Å; R198-I200 PolarHBondContact O-N 3.47Å; I200-G204 PolarHBondContact O-N 3.43Å; I200-G205 PolarHBondContact O-N 3.23Å; I200-I206 HydrophobicContact CD1-CB 4.41Å; I200-I206 HydrophobicContact CD1-CD1 4.04Å; I200-I206 HydrophobicContact CD1-CG2 4.48Å; I200-I206 HydrophobicContact CG1-CB 4.15Å; I200-I206 HydrophobicContact CG1-CD1 4.36Å; I200-I206 HydrophobicContact CG2-CB 4.17Å; I200-I206 HydrophobicContact CG2-CG2 4.22Å; I200-D232 HydrophobicContact CB-CB 3.9Å; I200-D232 HydrophobicContact CG2-CB 3.58Å |
| 201 | K | 98.4 | Very high | 98.4 | Very high | 102 Ų | 102 | 32.6 Ų | 32.6 | 44% | 0.443 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.3 | -54.4 | 176.2 | 177.9 | -171.8 | 172.7 | -178 | 0 | 111.2 | F197 R198 Y199 G204 D232 | F197-K201 WeakPolarHBondContact O-CB 3.34Å; F197-K201 PolarHBondContact O-N 2.98Å; R198-K201 PolarHBondContact O-N 3.14Å; Y199-K201 VanDerWaalsContact C-N 3.31Å; Y199-K201 PolarHBondContact O-N 3.32Å; K201-G204 PolarHBondContact O-N 3.17Å; K201-D232 HydrophobicContact CB-CB 4.28Å |
| 202 | D | 98.1 | Very high | 98.4 | Very high | 101 Ų | 101 | 32.8 Ų | 32.8 | 54% | 0.54 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -75.8 | -29.6 | -172.3 | -70.5 | -9.7 | 0 | 0 | 0 | 112.1 | Y183 R198 Y199 G204 | Y183-D202 HydrophobicContact CE1-CB 4.23Å; Y183-D202 WeakPolarHBondContact OH-CB 3.48Å; R198-D202 PolarHBondContact O-N 3.01Å; R198-D202 VanDerWaalsContact O-N 3.09Å; Y199-D202 PolarHBondContact O-N 2.98Å; D202-G204 PolarHBondContact O-N 2.58Å |
| 203 | N | 98.3 | Very high | 98.5 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.3 | -18.6 | 173.5 | -171.2 | 59.8 | 0 | 0 | 0 | 112.7 | Y199 G205 F223 | Y199-N203 HydrophobicContact CD2-CB 4.18Å; Y199-N203 HydrophobicContact CE1-CB 4.49Å; Y199-N203 HydrophobicContact CE2-CB 3.76Å; Y199-N203 WeakPolarHBondContact O-CB 3.4Å; Y199-N203 PolarHBondContact O-N 3.17Å; Y199-N203 PolarHBondContact OH-ND2 3.41Å; N203-G205 PolarHBondContact ND2-O 3.21Å; N203-F223 WeakPolarHBondContact ND2-CD1 3.35Å; N203-F223 WeakPolarHBondContact ND2-CD2 3.13Å; N203-F223 WeakPolarHBondContact ND2-CE1 3.48Å; N203-F223 WeakPolarHBondContact ND2-CE2 3.46Å; N203-F223 WeakPolarHBondContact ND2-CZ 3.27Å |
| 204 | G | 98.2 | Very high | 98.5 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 46% | 0.464 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 21.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I200 K201 D202 | I200-G204 PolarHBondContact O-N 3.43Å; K201-G204 PolarHBondContact O-N 3.17Å; D202-G204 PolarHBondContact O-N 2.58Å |
| 205 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | 138.5 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I200 N203 A230 | I200-G205 PolarHBondContact O-N 3.23Å; N203-G205 PolarHBondContact ND2-O 3.21Å; G205-A230 WeakPolarHBondContact CA-O 3.48Å | ||
| 206 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.1 | 179.3 | -171.6 | -179.6 | 0 | 0 | 0 | 109.5 | T154 L157 L171 S172 N175 L176 I200 V228 G229 A230 | T154-I206 HydrophobicContact CG2-CD1 3.95Å; L157-I206 HydrophobicContact CD2-CG2 3.83Å; L171-I206 HydrophobicContact CB-CD1 4.37Å; L171-I206 HydrophobicContact CB-CG2 4.41Å; L171-I206 HydrophobicContact CD1-CG2 3.93Å; L171-I206 HydrophobicContact CD2-CG2 4.05Å; L171-I206 HydrophobicContact CG-CG2 4.34Å; S172-I206 WeakPolarHBondContact O-CD1 3.41Å; N175-I206 HydrophobicContact CB-CG1 4.17Å; N175-I206 WeakPolarHBondContact OD1-CA 3.27Å; N175-I206 VanDerWaalsContact OD1-CG1 3.3Å; N175-I206 WeakPolarHBondContact OD1-CG1 3.33Å; L176-I206 HydrophobicContact CD1-CD1 4.12Å; L176-I206 HydrophobicContact CD2-CD1 3.8Å; L176-I206 HydrophobicContact CG-CD1 3.73Å; I200-I206 HydrophobicContact CD1-CB 4.41Å; I200-I206 HydrophobicContact CD1-CD1 4.04Å; I200-I206 HydrophobicContact CD1-CG2 4.48Å; I200-I206 HydrophobicContact CG1-CB 4.15Å; I200-I206 HydrophobicContact CG1-CD1 4.36Å; I200-I206 HydrophobicContact CG2-CB 4.17Å; I200-I206 HydrophobicContact CG2-CG2 4.22Å; I206-V228 CarbonylContact O-C 3.48Å; I206-V228 WeakPolarHBondContact O-CA 3.45Å; I206-G229 PolarHBondContact O-N 3.14Å; I206-A230 HydrophobicContact CG2-CB 4.35Å; I206-A230 PolarHBondContact N-O 3.36Å |
| 207 | D | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 156.6 | 176.9 | -80.5 | -61.8 | 0 | 0 | 0 | 113.1 | S172 N175 Y212 F223 N224 T227 | S172-D207 WeakPolarHBondContact CB-O 3.34Å; S172-D207 PolarHBondContact N-O 2.94Å; N175-D207 HydrophobicContact CB-CB 4.36Å; N175-D207 PolarHBondContact OD1-N 3.22Å; D207-Y212 HydrophobicContact CB-CD1 4.13Å; D207-Y212 HydrophobicContact CB-CG 4.48Å; D207-F223 WeakPolarHBondContact OD2-CA 3.37Å; D207-F223 WeakPolarHBondContact OD2-CD2 3.23Å; D207-N224 PolarHBondContact OD2-N 3.2Å; D207-T227 WeakPolarHBondContact CA-O 3.43Å; D207-T227 VanDerWaalsContact OD1-CB 3.26Å; D207-T227 WeakPolarHBondContact OD1-CB 3.42Å; D207-T227 PolarHBondContact OD1-OG1 2.82Å |
| 208 | T | 98.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 51.3 Ų | 51.3 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 152.5 | 168.1 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | V169 S170 K210 S211 Y212 T227 | V169-T208 HydrophobicContact CG1-CG2 3.7Å; S170-T208 WeakPolarHBondContact O-CA 3.45Å; T208-K210 PolarHBondContact O-N 2.84Å; T208-S211 PolarHBondContact N-OG 3.1Å; T208-S211 PolarHBondContact O-N 2.99Å; T208-S211 VanDerWaalsContact O-N 3.12Å; T208-S211 PolarHBondContact O-OG 3.15Å; T208-S211 WeakPolarHBondContact OG1-CB 3.35Å; T208-S211 PolarHBondContact OG1-N 3.24Å; T208-S211 PolarHBondContact OG1-OG 3.18Å; T208-Y212 PolarHBondContact O-N 2.91Å; T208-T227 PolarHBondContact N-O 3.2Å |
| 209 | E | 98.7 | Very high | 98.3 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 20% | 0.201 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -40 | 170.1 | 176.9 | 60.9 | -146.8 | 0 | 0 | 111.4 | K140 S170 S211 Y212 P213 Y214 | K140-E209 IonicContact NZ-OE2 2.95Å; K140-E209 PolarHBondContact NZ-OE2 2.94Å; S170-E209 PolarHBondContact O-N 3.11Å; S170-E209 WeakPolarHBondContact OG-CB 3.41Å; E209-S211 VanDerWaalsContact C-N 3.33Å; E209-S211 PolarHBondContact O-N 2.95Å; E209-Y212 CarbonylContact O-C 3.37Å; E209-P213 VanDerWaalsContact O-CA 3.23Å; E209-P213 WeakPolarHBondContact O-CA 3.33Å; E209-P213 WeakPolarHBondContact OE1-CA 3.42Å; E209-Y214 PolarHBondContact OE1-N 2.7Å |
| 210 | K | 98.4 | Very high | 98.3 | Very high | 195 Ų | 195 | 56.7 Ų | 56.7 | 85% | 0.848 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -34 | -177.3 | -177.2 | 179.5 | 176.1 | -175.8 | 0 | 112.9 | T208 | T208-K210 PolarHBondContact O-N 2.84Š|
| 211 | S | 98.5 | Very high | 98.3 | Very high | 49 Ų | 49 | 60 Ų | 60 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -24.9 | -177.5 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | T208 E209 T227 | T208-S211 PolarHBondContact N-OG 3.1Å; T208-S211 PolarHBondContact O-N 2.99Å; T208-S211 VanDerWaalsContact O-N 3.12Å; T208-S211 PolarHBondContact O-OG 3.15Å; T208-S211 WeakPolarHBondContact OG1-CB 3.35Å; T208-S211 PolarHBondContact OG1-N 3.24Å; T208-S211 PolarHBondContact OG1-OG 3.18Å; E209-S211 VanDerWaalsContact C-N 3.33Å; E209-S211 PolarHBondContact O-N 2.95Å; S211-T227 VanDerWaalsContact CB-CB 3.45Å; S211-T227 WeakPolarHBondContact OG-CB 3.2Å |
| 212 | Y | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -141 | 78.1 | -179 | -162.7 | 156 | 0 | 0 | 0 | 108.3 | S172 Q174 N175 D178 D207 T208 E209 H222 | S172-Y212 WeakPolarHBondContact CB-O 3.08Å; S172-Y212 PolarHBondContact OG-O 2.69Å; Q174-Y212 HydrophobicContact CB-CD2 3.79Å; Q174-Y212 HydrophobicContact CB-CE2 3.78Å; Q174-Y212 HydrophobicContact CG-CD2 3.84Å; Q174-Y212 HydrophobicContact CG-CE2 3.39Å; N175-Y212 HydrophobicContact CB-CD1 3.85Å; N175-Y212 HydrophobicContact CB-CE1 4.02Å; N175-Y212 HydrophobicContact CB-CG 4.4Å; D178-Y212 WeakPolarHBondContact CB-OH 3.45Å; D178-Y212 PolarHBondContact OD2-OH 3.42Å; D207-Y212 HydrophobicContact CB-CD1 4.13Å; D207-Y212 HydrophobicContact CB-CG 4.48Å; T208-Y212 PolarHBondContact O-N 2.91Å; E209-Y212 CarbonylContact O-C 3.37Å; Y212-H222 AromaticContact CD2-CE1 3.9Å; Y212-H222 AromaticContact CD2-NE2 3.39Å; Y212-H222 WeakPolarHBondContact CD2-NE2 3.46Å; Y212-H222 AromaticContact CE1-CD2 3.61Å; Y212-H222 AromaticContact CE1-CG 3.88Å; Y212-H222 AromaticContact CE1-NE2 3.8Å; Y212-H222 AromaticContact CE2-CD2 3.74Å; Y212-H222 AromaticContact CE2-CE1 3.04Å; Y212-H222 WeakPolarHBondContact CE2-CE1 3.46Å; Y212-H222 AromaticContact CE2-ND1 3.78Å; Y212-H222 AromaticContact CE2-NE2 2.99Å; Y212-H222 WeakPolarHBondContact CE2-NE2 3.36Å; Y212-H222 AromaticContact CG-NE2 3.95Å; Y212-H222 AromaticContact CZ-CD2 3.46Å; Y212-H222 VanDerWaalsContact CZ-CD2 3.46Å; Y212-H222 AromaticContact CZ-CE1 3.15Å; Y212-H222 AromaticContact CZ-CG 3.59Å; Y212-H222 AromaticContact CZ-ND1 3.38Å; Y212-H222 AromaticContact CZ-NE2 3.22Å; Y212-H222 PolarHBondContact OH-CE1 2.95Å; Y212-H222 PolarHBondContact OH-N 3.19Å; Y212-H222 PolarHBondContact OH-ND1 2.79Å |
| 213 | P | 98.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | trans | -64.2 | 155 | -173.1 | -23.3 | 35.7 | 0 | 0 | 0 | 113.6 | Q174 E209 | Q174-P213 WeakPolarHBondContact CB-O 3.37Å; E209-P213 VanDerWaalsContact O-CA 3.23Å; E209-P213 WeakPolarHBondContact O-CA 3.33Å; E209-P213 WeakPolarHBondContact OE1-CA 3.42Å | ||
| 214 | Y | 98.6 | Very high | 98.2 | Very high | 41 Ų | 41 | 59 Ų | 59 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | trans | -73.5 | 130.1 | 175.2 | -171.9 | -109 | 0 | 0 | 0 | 113.4 | D141 Q142 C145 S147 F151 E173 Q174 V177 E209 A216 | D141-Y214 WeakPolarHBondContact O-CE1 3.13Å; Q142-Y214 WeakPolarHBondContact O-CE1 3.28Å; Q142-Y214 PolarHBondContact O-OH 2.64Å; C145-Y214 WeakPolarHBondContact CB-OH 3.41Å; S147-Y214 PolarHBondContact OG-OH 3.19Å; F151-Y214 HydrophobicContact CE2-CD2 4.41Å; F151-Y214 HydrophobicContact CE2-CE1 4.09Å; F151-Y214 AromaticContact CE2-CE2 3.84Å; F151-Y214 HydrophobicContact CE2-CE2 3.84Å; F151-Y214 AromaticContact CE2-CZ 3.66Å; F151-Y214 AromaticContact CZ-CD1 3.86Å; F151-Y214 HydrophobicContact CZ-CD1 3.86Å; F151-Y214 HydrophobicContact CZ-CD2 4.04Å; F151-Y214 AromaticContact CZ-CE1 3.7Å; F151-Y214 HydrophobicContact CZ-CE1 3.7Å; F151-Y214 AromaticContact CZ-CE2 3.88Å; F151-Y214 HydrophobicContact CZ-CE2 3.88Å; F151-Y214 HydrophobicContact CZ-CG 4.02Å; F151-Y214 AromaticContact CZ-CZ 3.71Å; E173-Y214 HydrophobicContact CB-CD2 3.9Å; E173-Y214 HydrophobicContact CB-CE2 4.22Å; Q174-Y214 HydrophobicContact CB-CD2 4.38Å; V177-Y214 HydrophobicContact CG2-CE2 4.48Å; E209-Y214 PolarHBondContact OE1-N 2.7Å; Y214-A216 HydrophobicContact CD1-CB 4.36Å; Y214-A216 HydrophobicContact CE1-CB 3.52Å; Y214-A216 VanDerWaalsContact CZ-CA 3.49Å; Y214-A216 WeakPolarHBondContact OH-CA 3.16Å | ||
| 215 | E | 97.9 | Very high | 98.2 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | trans | -119.4 | -9.5 | -175.9 | -58.5 | -170.6 | 158.5 | 0 | 0 | 113.6 | I217 | E215-I217 VanDerWaalsContact C-N 3.26Å; E215-I217 HydrophobicContact CB-CD1 4.46Å; E215-I217 HydrophobicContact CB-CG1 3.94Å; E215-I217 PolarHBondContact O-N 3.39Å | ||
| 216 | A | 97.3 | Very high | 98.2 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 21% | 0.207 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 59.1 | 31.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q142 C145 Y214 | Q142-A216 WeakPolarHBondContact O-CB 3.02Å; C145-A216 HydrophobicContact CB-CB 4.07Å; Y214-A216 HydrophobicContact CD1-CB 4.36Å; Y214-A216 HydrophobicContact CE1-CB 3.52Å; Y214-A216 VanDerWaalsContact CZ-CA 3.49Å; Y214-A216 WeakPolarHBondContact OH-CA 3.16Å |
| 217 | I | 97.8 | Very high | 98.2 | Very high | 87 Ų | 87 | 70.2 Ų | 70.2 | 45% | 0.446 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -136.6 | 159.5 | 176 | 59.7 | 172.2 | 0 | 0 | 0 | 110 | Q174 V177 E215 | Q174-I217 PolarHBondContact NE2-O 2.9Å; V177-I217 WeakPolarHBondContact CG1-O 3.38Å; E215-I217 VanDerWaalsContact C-N 3.26Å; E215-I217 HydrophobicContact CB-CD1 4.46Å; E215-I217 HydrophobicContact CB-CG1 3.94Å; E215-I217 PolarHBondContact O-N 3.39Å |
| 218 | D | 97.7 | Very high | 98.2 | Very high | 84 Ų | 84 | 72.6 Ų | 72.6 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | trans | -79.9 | 121.6 | 166.7 | -63.6 | -43.2 | 0 | 0 | 0 | 109 | G187 C188 | G187-D218 WeakPolarHBondContact CA-OD1 3.42Å; C188-D218 PolarHBondContact N-OD1 3.07Å | ||
| 219 | D | 97.2 | Very high | 98.2 | Very high | 79 Ų | 79 | 71.7 Ų | 71.7 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | trans | -134.7 | -179.4 | 175.2 | -160.1 | 6.2 | 0 | 0 | 0 | 112.1 | D178 | D178-D219 WeakPolarHBondContact CB-O 3.21Å; D178-D219 PolarHBondContact OD1-N 2.77Å | ||
| 220 | S | 97.7 | Very high | 98.2 | Very high | 89 Ų | 89 | 69.8 Ų | 69.8 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | trans | -73.4 | 127.2 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | H222 | S220-H222 PolarHBondContact O-N 2.94Å; S220-H222 VanDerWaalsContact O-N 3.15Å; S220-H222 PolarHBondContact O-ND1 2.86Å | ||
| 221 | C | 98.4 | Very high | 98.2 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | trans | -54 | 119.8 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | D178 C179 | D178-C221 HydrophobicContact CB-CB 4.36Å; C179-C221 HydrophobicContact CB-CB 3.86Å; C179-C221 WeakPolarHBondContact CB-SG 3.45Å; C179-C221 WeakPolarHBondContact SG-CA 3.34Å; C179-C221 WeakPolarHBondContact SG-CB 3.49Å; C179-C221 CovalentContact SG-SG 2.03Å; C179-C221 PolarHBondContact SG-SG 3.01Å | ||
| 222 | H | 97.6 | Very high | 98.2 | Very high | 97 Ų | 97 | 60 Ų | 60 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | trans | -128.8 | 37.4 | 176.7 | 56.5 | -93.1 | 0 | 0 | 0 | 112.9 | Y212 S220 N224 | Y212-H222 AromaticContact CD2-CE1 3.9Å; Y212-H222 AromaticContact CD2-NE2 3.39Å; Y212-H222 WeakPolarHBondContact CD2-NE2 3.46Å; Y212-H222 AromaticContact CE1-CD2 3.61Å; Y212-H222 AromaticContact CE1-CG 3.88Å; Y212-H222 AromaticContact CE1-NE2 3.8Å; Y212-H222 AromaticContact CE2-CD2 3.74Å; Y212-H222 AromaticContact CE2-CE1 3.04Å; Y212-H222 WeakPolarHBondContact CE2-CE1 3.46Å; Y212-H222 AromaticContact CE2-ND1 3.78Å; Y212-H222 AromaticContact CE2-NE2 2.99Å; Y212-H222 WeakPolarHBondContact CE2-NE2 3.36Å; Y212-H222 AromaticContact CG-NE2 3.95Å; Y212-H222 AromaticContact CZ-CD2 3.46Å; Y212-H222 VanDerWaalsContact CZ-CD2 3.46Å; Y212-H222 AromaticContact CZ-CE1 3.15Å; Y212-H222 AromaticContact CZ-CG 3.59Å; Y212-H222 AromaticContact CZ-ND1 3.38Å; Y212-H222 AromaticContact CZ-NE2 3.22Å; Y212-H222 PolarHBondContact OH-CE1 2.95Å; Y212-H222 PolarHBondContact OH-N 3.19Å; Y212-H222 PolarHBondContact OH-ND1 2.79Å; S220-H222 PolarHBondContact O-N 2.94Å; S220-H222 VanDerWaalsContact O-N 3.15Å; S220-H222 PolarHBondContact O-ND1 2.86Å; H222-N224 PolarHBondContact O-N 3.31Å | ||
| 223 | F | 98.5 | Very high | 98.1 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 17% | 0.171 | 37% | 0.37 | C | S | . | . | trans | -48.3 | 136.1 | 175.2 | 169.6 | -106.8 | 0 | 0 | 0 | 112.8 | N175 N203 D207 K225 V228 | N175-F223 WeakPolarHBondContact OD1-CD2 3.48Å; N203-F223 WeakPolarHBondContact ND2-CD1 3.35Å; N203-F223 WeakPolarHBondContact ND2-CD2 3.13Å; N203-F223 WeakPolarHBondContact ND2-CE1 3.48Å; N203-F223 WeakPolarHBondContact ND2-CE2 3.46Å; N203-F223 WeakPolarHBondContact ND2-CZ 3.27Å; D207-F223 WeakPolarHBondContact OD2-CA 3.37Å; D207-F223 WeakPolarHBondContact OD2-CD2 3.23Å; F223-K225 HydrophobicContact CE1-CB 4.49Å; F223-K225 HydrophobicContact CE1-CG 3.56Å; F223-K225 HydrophobicContact CZ-CG 4.04Å; F223-V228 HydrophobicContact CE2-CG2 3.79Å; F223-V228 HydrophobicContact CZ-CG2 3.63Å | ||
| 224 | N | 98.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | trans | -125.5 | 115.4 | 178.8 | 179.4 | 2.2 | 0 | 0 | 0 | 112.1 | D207 H222 G226 T227 | D207-N224 PolarHBondContact OD2-N 3.2Å; H222-N224 PolarHBondContact O-N 3.31Å; N224-G226 PolarHBondContact O-N 3.13Å; N224-G226 PolarHBondContact OD1-N 3.13Å; N224-T227 WeakPolarHBondContact CB-OG1 3.34Å; N224-T227 PolarHBondContact O-N 2.77Å; N224-T227 PolarHBondContact O-OG1 3.13Å; N224-T227 VanDerWaalsContact O-OG1 3.08Å | ||
| 225 | K | 97.8 | Very high | 98.1 | Very high | 168 Ų | 168 | 62.9 Ų | 62.9 | 73% | 0.73 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -55.7 | -28.2 | 177.4 | -70.3 | -174.7 | 178.7 | -177.1 | 0 | 113.9 | F223 T227 | F223-K225 HydrophobicContact CE1-CB 4.49Å; F223-K225 HydrophobicContact CE1-CG 3.56Å; F223-K225 HydrophobicContact CZ-CG 4.04Å; K225-T227 PolarHBondContact O-N 3.21Å |
| 226 | G | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 71% | 0.711 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -72.9 | -12 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N224 | N224-G226 PolarHBondContact O-N 3.13Å; N224-G226 PolarHBondContact OD1-N 3.13Å |
| 227 | T | 98.5 | Very high | 98.2 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -122.7 | 18.7 | -174.9 | 42.3 | 0 | 0 | 0 | 0 | 113.3 | D207 T208 S211 N224 K225 G229 | D207-T227 WeakPolarHBondContact CA-O 3.43Å; D207-T227 VanDerWaalsContact OD1-CB 3.26Å; D207-T227 WeakPolarHBondContact OD1-CB 3.42Å; D207-T227 PolarHBondContact OD1-OG1 2.82Å; T208-T227 PolarHBondContact N-O 3.2Å; S211-T227 VanDerWaalsContact CB-CB 3.45Å; S211-T227 WeakPolarHBondContact OG-CB 3.2Å; N224-T227 WeakPolarHBondContact CB-OG1 3.34Å; N224-T227 PolarHBondContact O-N 2.77Å; N224-T227 PolarHBondContact O-OG1 3.13Å; N224-T227 VanDerWaalsContact O-OG1 3.08Å; K225-T227 PolarHBondContact O-N 3.21Å; T227-G229 PolarHBondContact O-N 2.95Å |
| 228 | V | 98.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 120.6 | 173.2 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | I206 F223 A230 T231 | I206-V228 CarbonylContact O-C 3.48Å; I206-V228 WeakPolarHBondContact O-CA 3.45Å; F223-V228 HydrophobicContact CE2-CG2 3.79Å; F223-V228 HydrophobicContact CZ-CG2 3.63Å; V228-A230 WeakPolarHBondContact CG1-O 3.37Å; V228-T231 HydrophobicContact CG1-CG2 4.07Å |
| 229 | G | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -31.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | I206 T227 | I206-G229 PolarHBondContact O-N 3.14Å; T227-G229 PolarHBondContact O-N 2.95Å |
| 230 | A | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L157 H161 L171 G205 I206 V228 | L157-A230 HydrophobicContact CD1-CB 4.46Å; L157-A230 HydrophobicContact CD2-CB 4.09Å; L157-A230 HydrophobicContact CG-CB 4.07Å; H161-A230 HydrophobicContact CB-CB 4.18Å; L171-A230 HydrophobicContact CD1-CB 3.84Å; L171-A230 HydrophobicContact CD2-CB 3.81Å; L171-A230 HydrophobicContact CG-CB 4.48Å; G205-A230 WeakPolarHBondContact CA-O 3.48Å; I206-A230 HydrophobicContact CG2-CB 4.35Å; I206-A230 PolarHBondContact N-O 3.36Å; V228-A230 WeakPolarHBondContact CG1-O 3.37Å |
| 231 | T | 98.5 | Very high | 98.2 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | trans | -129.8 | 152.8 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 110.5 | V228 R233 | V228-T231 HydrophobicContact CG1-CG2 4.07Å; T231-R233 PolarHBondContact OG1-NH1 2.86Å | ||
| 232 | D | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | trans | -113.9 | 157.8 | 177.9 | -173.7 | -78.1 | 0 | 0 | 0 | 110.5 | I200 K201 G234 P339 L340 | I200-D232 HydrophobicContact CB-CB 3.9Å; I200-D232 HydrophobicContact CG2-CB 3.58Å; K201-D232 HydrophobicContact CB-CB 4.28Å; D232-G234 WeakPolarHBondContact OD1-CA 3.4Å; D232-G234 PolarHBondContact OD1-N 2.59Å; D232-P339 WeakPolarHBondContact OD2-CB 3.19Å; D232-L340 CarbonylContact C-O 3.43Å | ||
| 233 | R | 98.1 | Very high | 98.2 | Very high | 148 Ų | 148 | 46.7 Ų | 46.7 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | trans | -127.5 | 0.1 | 177 | -66.5 | -63.8 | -176.8 | -78.6 | -3.7 | 113.6 | T231 L340 | T231-R233 PolarHBondContact OG1-NH1 2.86Å; R233-L340 HydrophobicContact CB-CB 4.48Å; R233-L340 PolarHBondContact N-O 3.37Å | ||
| 234 | G | 97.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | trans | 139.6 | -172.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D232 P339 L340 | D232-G234 WeakPolarHBondContact OD1-CA 3.4Å; D232-G234 PolarHBondContact OD1-N 2.59Å; G234-P339 CarbonylContact O-C 3.48Å; G234-L340 WeakPolarHBondContact O-CB 3.35Å; G234-L340 PolarHBondContact O-N 3.49Å | ||
| 235 | F | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 50 Ų | 50 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.9 | 178.1 | 57.7 | -78.7 | 0 | 0 | 0 | 109.6 | G113 V114 D194 F197 R198 Y338 | G113-F235 CarbonylContact C-O 3.54Å; G113-F235 WeakPolarHBondContact CA-O 3.35Å; V114-F235 PolarHBondContact N-O 3.1Å; D194-F235 HydrophobicContact CB-CD2 4.22Å; D194-F235 HydrophobicContact CB-CE1 4.49Å; D194-F235 HydrophobicContact CB-CE2 3.62Å; D194-F235 HydrophobicContact CB-CZ 3.8Å; D194-F235 VanDerWaalsContact CG-CE2 3.45Å; F197-F235 HydrophobicContact CB-CB 4.01Å; F197-F235 HydrophobicContact CB-CD1 3.92Å; F197-F235 HydrophobicContact CB-CG 4.17Å; F197-F235 HydrophobicContact CD2-CB 3.53Å; F197-F235 HydrophobicContact CD2-CD1 4.43Å; F197-F235 HydrophobicContact CD2-CD2 4.36Å; F197-F235 AromaticContact CD2-CG 3.88Å; F197-F235 HydrophobicContact CD2-CG 3.88Å; F197-F235 HydrophobicContact CE2-CB 4.34Å; F197-F235 HydrophobicContact CG-CB 4.06Å; F197-F235 HydrophobicContact CG-CG 4.48Å; R198-F235 HydrophobicContact CG-CD1 4.49Å; R198-F235 HydrophobicContact CG-CE1 3.72Å; F235-Y338 CarbonylContact C-O 3.52Å; F235-Y338 VanDerWaalsContact CA-O 3.25Å; F235-Y338 WeakPolarHBondContact CA-O 3.33Å; F235-Y338 WeakPolarHBondContact CB-O 3.37Å |
| 236 | T | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.6 | 175.4 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | V114 F116 S337 Y338 L340 | V114-T236 HydrophobicContact CG2-CG2 4.15Å; V114-T236 WeakPolarHBondContact CG2-OG1 3.49Å; V114-T236 CarbonylContact O-C 3.52Å; V114-T236 WeakPolarHBondContact O-CA 3.44Å; V114-T236 VanDerWaalsContact O-CG2 3.25Å; V114-T236 WeakPolarHBondContact O-CG2 3.39Å; F116-T236 HydrophobicContact CB-CG2 3.73Å; F116-T236 HydrophobicContact CD2-CG2 4.41Å; T236-S337 CarbonylContact O-C 3.52Å; T236-S337 WeakPolarHBondContact O-CA 3.26Å; T236-S337 VanDerWaalsContact O-CB 3.28Å; T236-S337 WeakPolarHBondContact O-CB 3.4Å; T236-Y338 HydrophobicContact CG2-CE1 3.86Å; T236-Y338 HydrophobicContact CG2-CE2 4.27Å; T236-Y338 WeakPolarHBondContact CG2-OH 3.29Å; T236-Y338 PolarHBondContact N-O 3.42Å; T236-Y338 PolarHBondContact O-N 2.8Å; T236-Y338 WeakPolarHBondContact OG1-CE2 3.47Å; T236-L340 WeakPolarHBondContact OG1-CD2 3.31Å |
| 237 | D | 98.5 | Very high | 98.2 | Very high | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129 | 170.3 | -71.9 | -30.6 | 0 | 0 | 0 | 110.2 | R105 G113 V114 F116 | R105-D237 IonicContact CZ-OD2 3.22Å; R105-D237 IonicContact NH1-OD1 3.5Å; R105-D237 IonicContact NH1-OD2 2.76Å; R105-D237 PolarHBondContact NH1-OD2 3.23Å; R105-D237 IonicContact NH2-OD2 2.74Å; R105-D237 PolarHBondContact NH2-OD2 3.34Å; G113-D237 PolarHBondContact N-OD2 3.29Å; V114-D237 PolarHBondContact O-N 3.4Å; F116-D237 WeakPolarHBondContact CB-O 3.37Å; F116-D237 PolarHBondContact N-O 3.22Å |
| 238 | I | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 137.1 | 169.6 | -63.5 | 155.8 | 0 | 0 | 0 | 107.7 | F116 Q240 K245 M246 A249 V256 S336 Y338 | F116-I238 HydrophobicContact CB-CG1 4.06Å; F116-I238 HydrophobicContact CG-CG1 4.26Å; I238-Q240 PolarHBondContact O-N 3.37Å; I238-K245 HydrophobicContact CG2-CB 3.96Å; I238-M246 HydrophobicContact CD1-CG 4.28Å; I238-M246 HydrophobicContact CG2-CB 4.17Å; I238-A249 HydrophobicContact CD1-CB 3.55Å; I238-A249 HydrophobicContact CG1-CB 3.98Å; I238-V256 HydrophobicContact CD1-CG1 3.63Å; I238-V256 HydrophobicContact CD1-CG2 4.14Å; I238-S336 WeakPolarHBondContact CB-OG 3.45Å; I238-S336 PolarHBondContact N-O 3.46Å; I238-Y338 HydrophobicContact CD1-CD1 4.27Å; I238-Y338 HydrophobicContact CG1-CE1 4.42Å |
| 239 | P | 97.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 25% | 0.247 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -52.9 | 128.6 | -180 | -32.2 | 39.4 | 0 | 0 | 0 | 113 | T115 G241 D242 K245 | T115-P239 HydrophobicContact CG2-CG 4.47Å; P239-G241 PolarHBondContact O-N 2.87Å; P239-D242 HydrophobicContact CB-CB 4.16Å; P239-D242 WeakPolarHBondContact O-CB 3.4Å; P239-D242 PolarHBondContact O-N 3.39Å; P239-K245 HydrophobicContact CB-CD 4.21Å; P239-K245 HydrophobicContact CG-CD 3.6Å |
| 240 | Q | 96.7 | Very high | 98.2 | Very high | 126 Ų | 126 | 34.8 Ų | 34.8 | 59% | 0.589 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 125.5 | -175 | 177.2 | 173.5 | 2.8 | 0 | 0 | 112 | Y98 I238 D242 S334 | Y98-Q240 PolarHBondContact OH-NE2 3.16Å; I238-Q240 PolarHBondContact O-N 3.37Å; Q240-D242 PolarHBondContact O-N 2.93Å; Q240-S334 WeakPolarHBondContact CG-O 3.38Å |
| 241 | G | 96.9 | Very high | 98.2 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P239 E243 A333 | P239-G241 PolarHBondContact O-N 2.87Å; G241-E243 PolarHBondContact O-N 3Å; G241-E243 VanDerWaalsContact O-N 3.1Å; G241-A333 PolarHBondContact N-O 3.29Å |
| 242 | D | 97.9 | Very high | 98.1 | Very high | 52 Ų | 52 | 35.9 Ų | 35.9 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | trans | -85 | 82.7 | 179.7 | -166 | -28.2 | 0 | 0 | 0 | 110.7 | P239 Q240 K244 K245 M246 | P239-D242 HydrophobicContact CB-CB 4.16Å; P239-D242 WeakPolarHBondContact O-CB 3.4Å; P239-D242 PolarHBondContact O-N 3.39Å; Q240-D242 PolarHBondContact O-N 2.93Å; D242-K244 PolarHBondContact O-N 3.46Å; D242-K244 WeakPolarHBondContact OD1-CB 3.46Å; D242-K244 PolarHBondContact OD1-N 3.11Å; D242-K245 HydrophobicContact CB-CB 4.09Å; D242-K245 HydrophobicContact CB-CD 4.38Å; D242-K245 HydrophobicContact CB-CG 4.37Å; D242-K245 PolarHBondContact O-N 3.08Å; D242-K245 PolarHBondContact OD1-N 3.3Å; D242-K245 WeakPolarHBondContact OD2-CD 3.15Å; D242-K245 VanDerWaalsContact OD2-CG 3.3Å; D242-K245 WeakPolarHBondContact OD2-CG 3.11Å; D242-M246 PolarHBondContact O-N 3.01Å | ||
| 243 | E | 98.3 | Very high | 98.1 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.4 | -31 | 177.8 | -70.9 | -166.7 | 78 | 0 | 0 | 112.7 | G241 M246 A247 W304 N325 K326 N328 A333 | G241-E243 PolarHBondContact O-N 3Å; G241-E243 VanDerWaalsContact O-N 3.1Å; E243-M246 PolarHBondContact O-N 2.79Å; E243-A247 PolarHBondContact O-N 3.38Å; E243-W304 HydrophobicContact CB-CZ2 4.09Å; E243-W304 HydrophobicContact CG-CZ2 4.43Å; E243-W304 WeakPolarHBondContact O-CH2 3.27Å; E243-W304 PolarHBondContact OE1-NE1 3.33Å; E243-W304 VanDerWaalsContact OE1-NE1 3.14Å; E243-N325 PolarHBondContact OE1-N 2.91Å; E243-N325 WeakPolarHBondContact OE2-CA 3.38Å; E243-N325 PolarHBondContact OE2-N 3.42Å; E243-K326 PolarHBondContact OE2-N 3.43Å; E243-N328 PolarHBondContact OE2-N 2.97Å; E243-A333 HydrophobicContact CG-CB 4Å |
| 244 | K | 97.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 30.2 Ų | 30.2 | 61% | 0.613 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -68.3 | -48.5 | 178.4 | -179.3 | -174.9 | 173.1 | -172.5 | 0 | 110.6 | D242 M246 A247 E248 | D242-K244 PolarHBondContact O-N 3.46Å; D242-K244 WeakPolarHBondContact OD1-CB 3.46Å; D242-K244 PolarHBondContact OD1-N 3.11Å; K244-M246 VanDerWaalsContact C-N 3.28Å; K244-M246 PolarHBondContact O-N 3.32Å; K244-A247 WeakPolarHBondContact O-CB 3.2Å; K244-A247 PolarHBondContact O-N 2.95Å; K244-A247 VanDerWaalsContact O-N 3.13Å; K244-E248 WeakPolarHBondContact CE-OE1 3.21Å; K244-E248 WeakPolarHBondContact O-CG 3.5Å; K244-E248 PolarHBondContact O-N 3.26Å |
| 245 | K | 98 | Very high | 98.2 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 24% | 0.235 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 175.5 | -75.7 | -172.9 | 178.8 | -168 | 0 | 112.3 | F116 I238 P239 D242 A247 E248 A249 | F116-K245 HydrophobicContact CD1-CB 3.96Å; F116-K245 HydrophobicContact CD1-CD 4.28Å; F116-K245 HydrophobicContact CD1-CG 4.28Å; F116-K245 HydrophobicContact CE1-CB 4.07Å; F116-K245 HydrophobicContact CE1-CG 4.33Å; F116-K245 WeakPolarHBondContact CE1-O 3.48Å; I238-K245 HydrophobicContact CG2-CB 3.96Å; P239-K245 HydrophobicContact CB-CD 4.21Å; P239-K245 HydrophobicContact CG-CD 3.6Å; D242-K245 HydrophobicContact CB-CB 4.09Å; D242-K245 HydrophobicContact CB-CD 4.38Å; D242-K245 HydrophobicContact CB-CG 4.37Å; D242-K245 PolarHBondContact O-N 3.08Å; D242-K245 PolarHBondContact OD1-N 3.3Å; D242-K245 WeakPolarHBondContact OD2-CD 3.15Å; D242-K245 VanDerWaalsContact OD2-CG 3.3Å; D242-K245 WeakPolarHBondContact OD2-CG 3.11Å; K245-A247 VanDerWaalsContact C-N 3.31Å; K245-A247 PolarHBondContact O-N 2.88Å; K245-E248 WeakPolarHBondContact O-CB 3.29Å; K245-E248 PolarHBondContact O-N 2.83Å; K245-A249 WeakPolarHBondContact O-CB 3.21Å; K245-A249 PolarHBondContact O-N 3.41Å |
| 246 | M | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 172.4 | -167.8 | 169.9 | 73.5 | 0 | 0 | 111.4 | I238 D242 E243 K244 E248 A249 V250 V258 W304 I332 A333 | I238-M246 HydrophobicContact CD1-CG 4.28Å; I238-M246 HydrophobicContact CG2-CB 4.17Å; D242-M246 PolarHBondContact O-N 3.01Å; E243-M246 PolarHBondContact O-N 2.79Å; K244-M246 VanDerWaalsContact C-N 3.28Å; K244-M246 PolarHBondContact O-N 3.32Å; M246-E248 PolarHBondContact O-N 2.93Å; M246-A249 PolarHBondContact O-N 3.36Å; M246-V250 HydrophobicContact CG-CG2 4.46Å; M246-V250 WeakPolarHBondContact O-CB 3.45Å; M246-V250 VanDerWaalsContact O-CG2 3.25Å; M246-V250 WeakPolarHBondContact O-CG2 3.18Å; M246-V250 PolarHBondContact O-N 3.32Å; M246-V258 HydrophobicContact SD-CG1 3.78Å; M246-W304 HydrophobicContact CB-CH2 4.08Å; M246-W304 HydrophobicContact CB-CZ2 4.44Å; M246-W304 HydrophobicContact CE-CD2 3.64Å; M246-W304 HydrophobicContact CE-CE3 3.99Å; M246-W304 HydrophobicContact CE-CG 4.34Å; M246-W304 HydrophobicContact CE-CH2 3.59Å; M246-W304 HydrophobicContact CE-CZ2 3.2Å; M246-W304 HydrophobicContact CE-CZ3 3.97Å; M246-W304 HydrophobicContact CG-CH2 4.18Å; M246-W304 HydrophobicContact CG-CZ3 4.49Å; M246-I332 HydrophobicContact CE-CG1 4.31Å; M246-I332 HydrophobicContact CE-CG2 4.18Å; M246-A333 HydrophobicContact CE-CB 4.05Å; M246-A333 HydrophobicContact SD-CB 4.04Å |
| 247 | A | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 5% | 0.05 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | E243 K244 K245 V250 A251 F294 W304 | E243-A247 PolarHBondContact O-N 3.38Å; K244-A247 WeakPolarHBondContact O-CB 3.2Å; K244-A247 PolarHBondContact O-N 2.95Å; K244-A247 VanDerWaalsContact O-N 3.13Å; K245-A247 VanDerWaalsContact C-N 3.31Å; K245-A247 PolarHBondContact O-N 2.88Å; A247-V250 PolarHBondContact O-N 3.03Å; A247-A251 VanDerWaalsContact O-CB 3.24Å; A247-A251 WeakPolarHBondContact O-CB 3.39Å; A247-A251 PolarHBondContact O-N 3.25Å; A247-F294 HydrophobicContact CB-CD1 4.46Å; A247-F294 HydrophobicContact CB-CE1 4.17Å; A247-F294 WeakPolarHBondContact O-CE1 3.23Å; A247-W304 HydrophobicContact CB-CH2 3.71Å; A247-W304 HydrophobicContact CB-CZ3 4.21Å |
| 248 | E | 98.4 | Very high | 98.2 | Very high | 20 Ų | 20 | 28 Ų | 28 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.3 | -69.5 | 168.5 | 179.2 | 0 | 0 | 111.3 | F116 S118 L124 K244 K245 M246 A251 T252 | F116-E248 HydrophobicContact CE1-CB 3.97Å; F116-E248 HydrophobicContact CZ-CB 3.89Å; S118-E248 WeakPolarHBondContact CB-OE2 3.45Å; S118-E248 PolarHBondContact OG-OE2 2.98Å; L124-E248 HydrophobicContact CD1-CG 3.65Å; L124-E248 HydrophobicContact CD2-CB 4.44Å; L124-E248 HydrophobicContact CD2-CG 4.11Å; L124-E248 HydrophobicContact CG-CG 4.35Å; K244-E248 WeakPolarHBondContact CE-OE1 3.21Å; K244-E248 WeakPolarHBondContact O-CG 3.5Å; K244-E248 PolarHBondContact O-N 3.26Å; K245-E248 WeakPolarHBondContact O-CB 3.29Å; K245-E248 PolarHBondContact O-N 2.83Å; M246-E248 PolarHBondContact O-N 2.93Å; E248-A251 PolarHBondContact O-N 3.22Å; E248-T252 WeakPolarHBondContact O-CB 3.45Å; E248-T252 WeakPolarHBondContact O-CG2 3.46Å; E248-T252 PolarHBondContact O-N 2.99Å; E248-T252 PolarHBondContact O-OG1 3.34Å |
| 249 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F116 I238 K245 M246 A251 T252 V253 G254 V256 Y338 | F116-A249 HydrophobicContact CD2-CB 4.14Å; F116-A249 HydrophobicContact CE1-CB 4.41Å; F116-A249 HydrophobicContact CE2-CB 3.78Å; F116-A249 HydrophobicContact CZ-CB 3.93Å; I238-A249 HydrophobicContact CD1-CB 3.55Å; I238-A249 HydrophobicContact CG1-CB 3.98Å; K245-A249 WeakPolarHBondContact O-CB 3.21Å; K245-A249 PolarHBondContact O-N 3.41Å; M246-A249 PolarHBondContact O-N 3.36Å; A249-A251 VanDerWaalsContact C-N 3.31Å; A249-A251 PolarHBondContact O-N 2.65Å; A249-T252 PolarHBondContact O-N 3.32Å; A249-V253 WeakPolarHBondContact O-CA 3.11Å; A249-V253 WeakPolarHBondContact O-CB 3.5Å; A249-V253 PolarHBondContact O-N 3.49Å; A249-G254 PolarHBondContact O-N 2.91Å; A249-V256 HydrophobicContact CB-CG2 4.33Å; A249-Y338 HydrophobicContact CB-CE1 4.11Å |
| 250 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | V128 W130 M246 A247 G254 V256 V291 F294 W304 | V128-V250 HydrophobicContact CG1-CG1 4.23Å; W130-V250 PolarHBondContact NE1-O 2.86Å; M246-V250 HydrophobicContact CG-CG2 4.46Å; M246-V250 WeakPolarHBondContact O-CB 3.45Å; M246-V250 VanDerWaalsContact O-CG2 3.25Å; M246-V250 WeakPolarHBondContact O-CG2 3.18Å; M246-V250 PolarHBondContact O-N 3.32Å; A247-V250 PolarHBondContact O-N 3.03Å; V250-G254 WeakPolarHBondContact CA-O 3.39Å; V250-V256 HydrophobicContact CG2-CB 4.15Å; V250-V256 HydrophobicContact CG2-CG2 3.75Å; V250-V291 HydrophobicContact CG1-CG1 4.36Å; V250-V291 HydrophobicContact CG2-CB 4.34Å; V250-V291 HydrophobicContact CG2-CG1 3.65Å; V250-F294 HydrophobicContact CB-CD1 4.29Å; V250-F294 HydrophobicContact CB-CE1 4.32Å; V250-F294 HydrophobicContact CG1-CD1 3.89Å; V250-F294 HydrophobicContact CG1-CE1 4.13Å; V250-W304 HydrophobicContact CG2-CZ3 4.39Å |
| 251 | A | 98.4 | Very high | 98.3 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 17% | 0.165 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.6 | -37.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L124 P125 V128 A247 E248 A249 F294 | L124-A251 HydrophobicContact CD2-CB 3.91Å; P125-A251 HydrophobicContact CG-CB 4.34Å; V128-A251 HydrophobicContact CG2-CB 3.99Å; A247-A251 VanDerWaalsContact O-CB 3.24Å; A247-A251 WeakPolarHBondContact O-CB 3.39Å; A247-A251 PolarHBondContact O-N 3.25Å; E248-A251 PolarHBondContact O-N 3.22Å; A249-A251 VanDerWaalsContact C-N 3.31Å; A249-A251 PolarHBondContact O-N 2.65Å; A251-F294 HydrophobicContact CB-CE1 4.1Å; A251-F294 HydrophobicContact CB-CZ 4.16Å |
| 252 | T | 97.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 18.5 Ų | 18.5 | 28% | 0.282 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -101.1 | -31.2 | -169.6 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | P119 V122 L124 R163 E248 A249 | P119-T252 HydrophobicContact CG-CG2 3.92Å; V122-T252 HydrophobicContact CG1-CG2 3.97Å; L124-T252 HydrophobicContact CD2-CG2 4.39Å; R163-T252 PolarHBondContact NH1-O 2.69Å; E248-T252 WeakPolarHBondContact O-CB 3.45Å; E248-T252 WeakPolarHBondContact O-CG2 3.46Å; E248-T252 PolarHBondContact O-N 2.99Å; E248-T252 PolarHBondContact O-OG1 3.34Å; A249-T252 PolarHBondContact O-N 3.32Å |
| 253 | V | 98 | Very high | 98.3 | Very high | 29 Ų | 29 | 17.1 Ų | 17.1 | 18% | 0.176 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -59 | -174 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | F116 R163 A249 Y338 | F116-V253 HydrophobicContact CE2-CG2 4.31Å; R163-V253 PolarHBondContact NH1-O 2.9Å; A249-V253 WeakPolarHBondContact O-CA 3.11Å; A249-V253 WeakPolarHBondContact O-CB 3.5Å; A249-V253 PolarHBondContact O-N 3.49Å; V253-Y338 HydrophobicContact CB-CE1 4.5Å; V253-Y338 HydrophobicContact CG1-CD2 3.82Å; V253-Y338 HydrophobicContact CG1-CE1 4.3Å; V253-Y338 HydrophobicContact CG1-CE2 3.58Å; V253-Y338 HydrophobicContact CG1-CG 4.3Å; V253-Y338 HydrophobicContact CG2-CE1 4.29Å |
| 254 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | 155.5 | -165.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A249 V250 | A249-G254 PolarHBondContact O-N 2.91Å; V250-G254 WeakPolarHBondContact CA-O 3.39Å | ||
| 255 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -54.5 | 143 | 168.4 | -25.7 | 36.1 | 0 | 0 | 0 | 112.6 | W130 V136 Q160 L290 V291 V292 | W130-P255 HydrophobicContact CB-CG 4.01Å; W130-P255 HydrophobicContact CG-CG 3.99Å; V136-P255 HydrophobicContact CG2-CG 4.34Å; Q160-P255 PolarHBondContact NE2-O 3.19Å; P255-L290 HydrophobicContact CB-CD1 3.79Å; P255-L290 HydrophobicContact CB-CD2 4.08Å; P255-L290 HydrophobicContact CB-CG 4.04Å; P255-V291 CarbonylContact C-O 3.55Å; P255-V291 VanDerWaalsContact CA-O 3.24Å; P255-V291 WeakPolarHBondContact CA-O 3.47Å; P255-V292 HydrophobicContact CB-CG1 4.38Å | ||
| 256 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.7 | -174.5 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | I238 A249 V250 V258 V291 S337 Y338 | I238-V256 HydrophobicContact CD1-CG1 3.63Å; I238-V256 HydrophobicContact CD1-CG2 4.14Å; A249-V256 HydrophobicContact CB-CG2 4.33Å; V250-V256 HydrophobicContact CG2-CB 4.15Å; V250-V256 HydrophobicContact CG2-CG2 3.75Å; V256-V258 HydrophobicContact CG1-CG1 4.03Å; V256-V291 PolarHBondContact N-O 2.89Å; V256-V291 PolarHBondContact O-N 3.34Å; V256-S337 WeakPolarHBondContact CG1-O 3.4Å; V256-Y338 HydrophobicContact CG2-CD1 4.27Å |
| 257 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.5 | 171.2 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | S152 A156 S336 S337 | S152-S257 PolarHBondContact O-OG 3.44Å; S152-S257 WeakPolarHBondContact OG-CA 3.2Å; S152-S257 WeakPolarHBondContact OG-CB 3.45Å; S152-S257 PolarHBondContact OG-OG 2.91Å; A156-S257 WeakPolarHBondContact CB-OG 3.39Å; S257-S336 WeakPolarHBondContact O-CA 3.42Å; S257-S337 WeakPolarHBondContact CB-O 3.08Å; S257-S337 PolarHBondContact N-O 3.37Å; S257-S337 PolarHBondContact O-N 3.46Å |
| 258 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.1 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | M193 M246 V256 I260 G288 V289 V291 I332 A335 | M193-V258 VanDerWaalsContact CE-C 3.43Å; M193-V258 WeakPolarHBondContact CE-O 3.29Å; M246-V258 HydrophobicContact SD-CG1 3.78Å; V256-V258 HydrophobicContact CG1-CG1 4.03Å; V258-I260 HydrophobicContact CG2-CG2 4.48Å; V258-G288 WeakPolarHBondContact O-CA 3.46Å; V258-V289 HydrophobicContact CG2-CG2 3.45Å; V258-V289 VanDerWaalsContact CG2-CG2 3.45Å; V258-V289 PolarHBondContact N-O 3.42Å; V258-V289 PolarHBondContact O-N 2.89Å; V258-V289 VanDerWaalsContact O-O 3.1Å; V258-V291 HydrophobicContact CB-CG2 4.33Å; V258-V291 HydrophobicContact CG1-CB 4.46Å; V258-V291 HydrophobicContact CG1-CG2 3.6Å; V258-V291 HydrophobicContact CG2-CG2 3.71Å; V258-I332 HydrophobicContact CB-CG1 4.38Å; V258-I332 WeakPolarHBondContact CB-O 3.42Å; V258-I332 WeakPolarHBondContact CG1-O 3.33Å; V258-I332 HydrophobicContact CG2-CG1 3.88Å; V258-A335 WeakPolarHBondContact CA-O 3.42Å |
| 259 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111 | F96 M193 L285 H287 A335 | F96-A259 HydrophobicContact CD1-CB 3.47Å; F96-A259 VanDerWaalsContact CD1-CB 3.47Å; F96-A259 HydrophobicContact CD2-CB 4Å; F96-A259 HydrophobicContact CE1-CB 3.32Å; F96-A259 HydrophobicContact CE2-CB 3.89Å; F96-A259 HydrophobicContact CG-CB 3.79Å; F96-A259 HydrophobicContact CZ-CB 3.56Å; M193-A259 HydrophobicContact CE-CB 4.21Å; A259-L285 HydrophobicContact CB-CB 4Å; A259-L285 HydrophobicContact CB-CD1 3.87Å; A259-H287 CarbonylContact C-O 3.59Å; A259-H287 VanDerWaalsContact CA-O 3.24Å; A259-H287 WeakPolarHBondContact CA-O 3.36Å; A259-A335 HydrophobicContact CB-CB 4.08Å; A259-A335 PolarHBondContact N-O 3.42Å |
| 260 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.2 | 178.5 | 58.7 | 170.6 | 0 | 0 | 0 | 110.4 | V258 A262 F267 D286 H287 V289 M322 C330 I332 | V258-I260 HydrophobicContact CG2-CG2 4.48Å; I260-A262 HydrophobicContact CD1-CB 4.26Å; I260-A262 HydrophobicContact CG1-CB 4.32Å; I260-A262 PolarHBondContact O-N 3.33Å; I260-F267 HydrophobicContact CD1-CD2 4.44Å; I260-F267 HydrophobicContact CD1-CE1 4.39Å; I260-F267 HydrophobicContact CD1-CE2 3.45Å; I260-F267 VanDerWaalsContact CD1-CE2 3.45Å; I260-F267 HydrophobicContact CD1-CZ 3.43Å; I260-F267 VanDerWaalsContact CD1-CZ 3.43Å; I260-D286 PolarHBondContact O-N 2.8Å; I260-H287 HydrophobicContact CG1-CB 4.2Å; I260-H287 PolarHBondContact N-O 3.17Å; I260-H287 PolarHBondContact O-N 2.96Å; I260-H287 VanDerWaalsContact O-N 3.08Å; I260-V289 HydrophobicContact CD1-CG1 4.14Å; I260-V289 HydrophobicContact CD1-CG2 4.04Å; I260-V289 HydrophobicContact CG1-CG1 4.49Å; I260-V289 HydrophobicContact CG1-CG2 4.13Å; I260-V289 HydrophobicContact CG2-CG2 4.15Å; I260-M322 HydrophobicContact CB-CE 4.27Å; I260-M322 HydrophobicContact CD1-CE 4.28Å; I260-M322 HydrophobicContact CD1-SD 3.84Å; I260-M322 HydrophobicContact CG2-CE 3.74Å; I260-M322 HydrophobicContact CG2-SD 3.89Å; I260-C330 WeakPolarHBondContact CA-O 3.19Å; I260-C330 HydrophobicContact CB-CB 4.46Å; I260-I332 HydrophobicContact CG2-CB 3.84Å; I260-I332 HydrophobicContact CG2-CD1 4.4Å; I260-I332 HydrophobicContact CG2-CG1 3.72Å |
| 261 | D | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.011 | 7% | 0.073 | C | C | . | . | trans | -75.8 | 108.6 | 156.7 | 179.7 | 2.5 | 0 | 0 | 0 | 109.3 | S263 H264 C280 D281 C330 | D261-S263 WeakPolarHBondContact OD1-CA 3.36Å; D261-S263 WeakPolarHBondContact OD1-CB 3.4Å; D261-S263 PolarHBondContact OD1-N 2.87Å; D261-S263 PolarHBondContact OD1-OG 2.71Å; D261-H264 IonicContact OD1-CD2 3.82Å; D261-H264 IonicContact OD2-CD2 3.99Å; D261-H264 IonicContact OD2-NE2 3.4Å; D261-H264 PolarHBondContact OD2-NE2 3.16Å; D261-C280 WeakPolarHBondContact OD2-CA 3.47Å; D261-D281 PolarHBondContact OD2-N 2.81Å; D261-C330 HydrophobicContact CB-CB 4.28Å; D261-C330 PolarHBondContact N-O 3.14Å | ||
| 262 | A | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -110.9 | 21.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | N94 I260 H264 F267 D286 H287 W310 | N94-A262 PolarHBondContact ND2-O 2.63Å; I260-A262 HydrophobicContact CD1-CB 4.26Å; I260-A262 HydrophobicContact CG1-CB 4.32Å; I260-A262 PolarHBondContact O-N 3.33Å; A262-H264 PolarHBondContact O-N 2.76Å; A262-F267 HydrophobicContact CB-CD1 3.56Å; A262-F267 HydrophobicContact CB-CD2 4.4Å; A262-F267 HydrophobicContact CB-CE1 3.65Å; A262-F267 HydrophobicContact CB-CE2 4.48Å; A262-F267 HydrophobicContact CB-CG 3.97Å; A262-F267 HydrophobicContact CB-CZ 4.14Å; A262-D286 PolarHBondContact N-OD1 3.09Å; A262-H287 HydrophobicContact CB-CB 3.43Å; A262-H287 VanDerWaalsContact CB-CB 3.43Å; A262-W310 HydrophobicContact CB-CH2 4.48Å | ||
| 263 | S | 96.4 | Very high | 98.2 | Very high | 24 Ų | 24 | 14.4 Ų | 14.4 | 17% | 0.168 | 8% | 0.083 | C | C | . | . | trans | -81.4 | 9.7 | -171.9 | 79.1 | 0 | 0 | 0 | 0 | 114 | H86 R90 D261 D286 | H86-S263 PolarHBondContact CE1-O 3.36Å; H86-S263 PolarHBondContact NE2-O 3.23Å; R90-S263 VanDerWaalsContact CD-O 3.29Å; R90-S263 WeakPolarHBondContact CD-O 3.31Å; R90-S263 PolarHBondContact NH1-O 2.84Å; D261-S263 WeakPolarHBondContact OD1-CA 3.36Å; D261-S263 WeakPolarHBondContact OD1-CB 3.4Å; D261-S263 PolarHBondContact OD1-N 2.87Å; D261-S263 PolarHBondContact OD1-OG 2.71Å; S263-D286 VanDerWaalsContact CB-OD2 3.25Å; S263-D286 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 264 | H | 97.7 | Very high | 98.3 | Very high | 27 Ų | 27 | 13 Ų | 13 | 13% | 0.125 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -105.1 | 145.2 | -177.5 | -64.9 | -78.4 | 0 | 0 | 0 | 112.9 | D261 A262 S266 F267 Q268 E277 Q279 C280 | D261-H264 IonicContact OD1-CD2 3.82Å; D261-H264 IonicContact OD2-CD2 3.99Å; D261-H264 IonicContact OD2-NE2 3.4Å; D261-H264 PolarHBondContact OD2-NE2 3.16Å; A262-H264 PolarHBondContact O-N 2.76Å; H264-S266 PolarHBondContact O-N 2.89Å; H264-F267 WeakPolarHBondContact O-CB 3.34Å; H264-F267 PolarHBondContact O-N 3.42Å; H264-Q268 PolarHBondContact O-N 3.3Å; H264-Q268 VanDerWaalsContact O-N 3.14Å; H264-E277 HydrophobicContact CB-CG 4.15Å; H264-Q279 VanDerWaalsContact CE1-C 3.46Å; H264-Q279 VanDerWaalsContact CE1-CB 3.41Å; H264-Q279 WeakPolarHBondContact CE1-CB 3.26Å; H264-Q279 PolarHBondContact CE1-O 3.41Å; H264-Q279 VanDerWaalsContact CE1-O 3.27Å; H264-Q279 VanDerWaalsContact NE2-C 3.32Å; H264-Q279 PolarHBondContact NE2-O 3.35Å; H264-C280 VanDerWaalsContact NE2-CA 3.33Å; H264-C280 WeakPolarHBondContact NE2-CA 3.16Å; H264-C280 PolarHBondContact NE2-N 3.44Å |
| 265 | E | 97.1 | Very high | 98.3 | Very high | 62 Ų | 62 | 13 Ų | 13 | 29% | 0.29 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -59.2 | -30.1 | 173.1 | -64.9 | -176 | 132 | 0 | 0 | 112.3 | K59 H86 F267 Q268 F269 | K59-E265 WeakPolarHBondContact CD-OE2 3.3Å; K59-E265 IonicContact NZ-OE1 3.2Å; K59-E265 PolarHBondContact NZ-OE1 2.86Å; K59-E265 IonicContact NZ-OE2 3.33Å; H86-E265 HydrophobicContact CB-CG 4.01Å; H86-E265 PolarHBondContact CE1-N 3.08Å; H86-E265 WeakPolarHBondContact ND1-CG 3.42Å; E265-F267 VanDerWaalsContact C-N 3.26Å; E265-F267 PolarHBondContact O-N 3.11Å; E265-Q268 WeakPolarHBondContact O-CB 3.4Å; E265-Q268 PolarHBondContact O-N 3.17Å; E265-F269 VanDerWaalsContact O-CD2 3.25Å; E265-F269 WeakPolarHBondContact O-CD2 3.16Å; E265-F269 PolarHBondContact O-N 3.46Å; E265-F269 VanDerWaalsContact O-N 3.17Å |
| 266 | S | 98.1 | Very high | 98.2 | Very high | 10 Ų | 10 | 15.5 Ų | 15.5 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.6 | -30.8 | 174.8 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | L76 H264 Y270 Y275 E277 | L76-S266 WeakPolarHBondContact CD2-O 3.39Å; H264-S266 PolarHBondContact O-N 2.89Å; S266-Y270 PolarHBondContact O-N 2.97Å; S266-Y275 PolarHBondContact OG-OH 3.15Å; S266-E277 VanDerWaalsContact CB-OE2 3.29Å; S266-E277 WeakPolarHBondContact CB-OE2 3.33Å; S266-E277 PolarHBondContact OG-OE2 3.49Å |
| 267 | F | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -76.4 | -43.9 | 173.6 | -163.3 | -87.4 | 0 | 0 | 0 | 110.8 | I260 A262 H264 E265 F269 Y270 Y275 W310 W314 I320 | I260-F267 HydrophobicContact CD1-CD2 4.44Å; I260-F267 HydrophobicContact CD1-CE1 4.39Å; I260-F267 HydrophobicContact CD1-CE2 3.45Å; I260-F267 VanDerWaalsContact CD1-CE2 3.45Å; I260-F267 HydrophobicContact CD1-CZ 3.43Å; I260-F267 VanDerWaalsContact CD1-CZ 3.43Å; A262-F267 HydrophobicContact CB-CD1 3.56Å; A262-F267 HydrophobicContact CB-CD2 4.4Å; A262-F267 HydrophobicContact CB-CE1 3.65Å; A262-F267 HydrophobicContact CB-CE2 4.48Å; A262-F267 HydrophobicContact CB-CG 3.97Å; A262-F267 HydrophobicContact CB-CZ 4.14Å; H264-F267 WeakPolarHBondContact O-CB 3.34Å; H264-F267 PolarHBondContact O-N 3.42Å; E265-F267 VanDerWaalsContact C-N 3.26Å; E265-F267 PolarHBondContact O-N 3.11Å; F267-F269 PolarHBondContact O-N 3.39Å; F267-F269 VanDerWaalsContact O-N 3.14Å; F267-Y270 PolarHBondContact O-N 2.88Å; F267-Y275 HydrophobicContact CB-CE2 4.36Å; F267-Y275 WeakPolarHBondContact CB-OH 3.45Å; F267-Y275 HydrophobicContact CD2-CD1 4.25Å; F267-Y275 AromaticContact CD2-CE1 3.74Å; F267-Y275 HydrophobicContact CD2-CE1 3.74Å; F267-Y275 HydrophobicContact CD2-CE2 4.37Å; F267-Y275 AromaticContact CD2-CZ 3.81Å; F267-Y275 PolarHBondContact N-OH 3.32Å; F267-W310 AromaticContact CD1-CH2 3.43Å; F267-W310 HydrophobicContact CD1-CH2 3.43Å; F267-W310 VanDerWaalsContact CD1-CH2 3.43Å; F267-W310 AromaticContact CD1-CZ3 3.47Å; F267-W310 HydrophobicContact CD1-CZ3 3.47Å; F267-W310 VanDerWaalsContact CD1-CZ3 3.47Å; F267-W310 HydrophobicContact CE1-CE3 4.39Å; F267-W310 AromaticContact CE1-CH2 3.37Å; F267-W310 HydrophobicContact CE1-CH2 3.37Å; F267-W310 HydrophobicContact CE1-CZ2 4.26Å; F267-W310 AromaticContact CE1-CZ3 3.43Å; F267-W310 HydrophobicContact CE1-CZ3 3.43Å; F267-W310 VanDerWaalsContact CE1-CZ3 3.43Å; F267-W314 AromaticContact CD1-CZ2 3.88Å; F267-W314 HydrophobicContact CD1-CZ2 3.88Å; F267-W314 AromaticContact CE1-CH2 3.91Å; F267-W314 HydrophobicContact CE1-CH2 3.91Å; F267-W314 AromaticContact CE1-CZ2 3.53Å; F267-W314 HydrophobicContact CE1-CZ2 3.53Å; F267-W314 HydrophobicContact CE2-CH2 4.44Å; F267-W314 HydrophobicContact CE2-CZ2 4.44Å; F267-W314 HydrophobicContact CG-CZ2 4.47Å; F267-W314 AromaticContact CZ-CH2 3.79Å; F267-W314 HydrophobicContact CZ-CH2 3.79Å; F267-W314 AromaticContact CZ-CZ2 3.84Å; F267-W314 HydrophobicContact CZ-CZ2 3.84Å; F267-W314 WeakPolarHBondContact O-CZ2 3.34Å; F267-W314 PolarHBondContact O-NE1 2.95Å; F267-I320 HydrophobicContact CD2-CD1 4.01Å; F267-I320 HydrophobicContact CE2-CD1 3.59Å; F267-I320 HydrophobicContact CZ-CD1 4.31Å |
| 268 | Q | 98 | Very high | 98 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51 | -39.9 | 177 | 178.2 | 175.1 | -2.2 | 0 | 0 | 112.4 | N79 Y81 H86 F89 H264 E265 W314 | N79-Q268 PolarHBondContact ND2-O 3.04Å; Y81-Q268 PolarHBondContact O-NE2 2.03Å; H86-Q268 PolarHBondContact ND1-OE1 2.98Å; F89-Q268 HydrophobicContact CD1-CB 3.97Å; F89-Q268 HydrophobicContact CD1-CG 3.86Å; F89-Q268 HydrophobicContact CD2-CG 3.78Å; F89-Q268 HydrophobicContact CE1-CB 3.57Å; F89-Q268 HydrophobicContact CE1-CG 3.79Å; F89-Q268 HydrophobicContact CE2-CB 4.26Å; F89-Q268 HydrophobicContact CE2-CG 3.68Å; F89-Q268 HydrophobicContact CG-CB 4.47Å; F89-Q268 VanDerWaalsContact CG-CD 3.49Å; F89-Q268 HydrophobicContact CG-CG 3.85Å; F89-Q268 HydrophobicContact CZ-CB 3.71Å; F89-Q268 HydrophobicContact CZ-CG 3.66Å; H264-Q268 PolarHBondContact O-N 3.3Å; H264-Q268 VanDerWaalsContact O-N 3.14Å; E265-Q268 WeakPolarHBondContact O-CB 3.4Å; E265-Q268 PolarHBondContact O-N 3.17Å; Q268-W314 VanDerWaalsContact O-CD1 3.29Å; Q268-W314 PolarHBondContact O-NE1 3.43Å; Q268-W314 VanDerWaalsContact O-NE1 3.17Å |
| 269 | F | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 9.6 | -175.9 | -58.2 | -59.5 | 0 | 0 | 0 | 114.8 | N56 I60 L76 A77 A82 E265 F267 S271 | N56-F269 HydrophobicContact CB-CE1 4.45Å; N56-F269 HydrophobicContact CB-CE2 3.99Å; N56-F269 HydrophobicContact CB-CZ 3.68Å; I60-F269 HydrophobicContact CD1-CB 4.13Å; I60-F269 HydrophobicContact CD1-CD1 3.89Å; I60-F269 HydrophobicContact CD1-CD2 4.36Å; I60-F269 HydrophobicContact CD1-CE1 4.45Å; I60-F269 HydrophobicContact CD1-CG 3.85Å; I60-F269 HydrophobicContact CG1-CB 3.97Å; I60-F269 HydrophobicContact CG1-CD2 4.24Å; I60-F269 HydrophobicContact CG1-CG 3.99Å; L76-F269 CarbonylContact C-O 3.6Å; L76-F269 WeakPolarHBondContact CA-O 3.25Å; L76-F269 HydrophobicContact CB-CB 3.96Å; L76-F269 WeakPolarHBondContact CB-O 3.47Å; L76-F269 HydrophobicContact CD1-CB 4.27Å; L76-F269 HydrophobicContact CD2-CB 4.13Å; L76-F269 HydrophobicContact CG-CB 4.33Å; A77-F269 PolarHBondContact N-O 3.49Å; A82-F269 HydrophobicContact CB-CE1 4.18Å; E265-F269 VanDerWaalsContact O-CD2 3.25Å; E265-F269 WeakPolarHBondContact O-CD2 3.16Å; E265-F269 PolarHBondContact O-N 3.46Å; E265-F269 VanDerWaalsContact O-N 3.17Å; F267-F269 PolarHBondContact O-N 3.39Å; F267-F269 VanDerWaalsContact O-N 3.14Å; F269-S271 PolarHBondContact O-N 3.36Å |
| 270 | Y | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 140 | 179.4 | 169.1 | -90.2 | 0 | 0 | 0 | 111.6 | F74 S266 F267 G273 Y275 W314 G315 F319 I320 K321 | F74-Y270 HydrophobicContact CB-CD2 4.33Å; F74-Y270 HydrophobicContact CB-CE2 4.14Å; F74-Y270 AromaticContact CD2-CD2 3.92Å; F74-Y270 HydrophobicContact CD2-CD2 3.92Å; F74-Y270 HydrophobicContact CG-CD2 4.42Å; S266-Y270 PolarHBondContact O-N 2.97Å; F267-Y270 PolarHBondContact O-N 2.88Å; Y270-G273 PolarHBondContact OH-O 3.46Å; Y270-Y275 AromaticContact CD2-CD2 3.89Å; Y270-Y275 HydrophobicContact CD2-CD2 3.89Å; Y270-Y275 HydrophobicContact CD2-CG 4.42Å; Y270-W314 HydrophobicContact CD1-CH2 4.07Å; Y270-W314 HydrophobicContact CD1-CZ2 4.14Å; Y270-W314 HydrophobicContact CD1-CZ3 4.48Å; Y270-G315 VanDerWaalsContact O-CA 3.29Å; Y270-G315 WeakPolarHBondContact O-CA 3.26Å; Y270-G315 PolarHBondContact O-N 2.93Å; Y270-G315 VanDerWaalsContact O-N 3.08Å; Y270-F319 WeakPolarHBondContact CE1-O 3.41Å; Y270-I320 HydrophobicContact CD1-CB 3.91Å; Y270-I320 HydrophobicContact CD1-CD1 3.8Å; Y270-I320 HydrophobicContact CD1-CG1 3.82Å; Y270-I320 HydrophobicContact CD2-CD1 3.92Å; Y270-I320 HydrophobicContact CD2-CG1 4.17Å; Y270-I320 HydrophobicContact CE1-CB 3.6Å; Y270-I320 HydrophobicContact CE1-CD1 4.13Å; Y270-I320 HydrophobicContact CE1-CG1 3.61Å; Y270-I320 HydrophobicContact CE2-CD1 4.18Å; Y270-I320 HydrophobicContact CE2-CG1 3.91Å; Y270-I320 HydrophobicContact CG-CD1 3.72Å; Y270-I320 HydrophobicContact CG-CG1 4.12Å; Y270-K321 PolarHBondContact OH-N 2.62Å |
| 271 | S | 98.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 23% | 0.231 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | -54.6 | 178.6 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | K75 F269 G315 D316 | K75-S271 PolarHBondContact O-N 3.29Å; F269-S271 PolarHBondContact O-N 3.36Å; S271-G315 CarbonylContact O-C 3.48Å; S271-D316 PolarHBondContact O-N 3.43Å |
| 272 | E | 98 | Very high | 97.4 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 41% | 0.407 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 164.6 | -176.8 | 62.7 | 173.4 | 173 | 0 | 0 | 112.3 | F74 K75 | F74-E272 CarbonylContact C-O 3.39Å; F74-E272 WeakPolarHBondContact CA-O 3.46Å; F74-E272 WeakPolarHBondContact CB-O 3.47Å; K75-E272 HydrophobicContact CB-CG 3.96Å; K75-E272 HydrophobicContact CD-CG 4.25Å; K75-E272 VanDerWaalsContact CD-OE1 3.23Å; K75-E272 WeakPolarHBondContact CD-OE1 3.32Å; K75-E272 VanDerWaalsContact CE-OE1 3.26Å; K75-E272 WeakPolarHBondContact CE-OE1 3.44Å; K75-E272 HydrophobicContact CG-CG 4.25Å; K75-E272 PolarHBondContact N-O 2.91Å; K75-E272 IonicContact NZ-OE1 2.67Å; K75-E272 PolarHBondContact NZ-OE1 2.85Å |
| 273 | G | 98.2 | Very high | 97.1 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.9 | -175.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | S73 Y270 | S73-G273 WeakPolarHBondContact O-CA 3.1Å; Y270-G273 PolarHBondContact OH-O 3.46Å |
| 274 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 112.7 | 177.7 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | S73 N276 D297 E301 Y303 K321 L323 | S73-V274 WeakPolarHBondContact CB-O 3.29Å; S73-V274 PolarHBondContact O-N 3.11Å; S73-V274 PolarHBondContact OG-O 3.37Å; V274-N276 PolarHBondContact O-N 3.37Å; V274-D297 HydrophobicContact CG2-CB 4.11Å; V274-E301 HydrophobicContact CB-CB 4.45Å; V274-E301 HydrophobicContact CG1-CB 4.4Å; V274-E301 HydrophobicContact CG2-CB 4.14Å; V274-Y303 HydrophobicContact CG2-CD1 4.34Å; V274-K321 HydrophobicContact CG2-CB 4.4Å; V274-L323 HydrophobicContact CG1-CB 3.99Å; V274-L323 HydrophobicContact CG1-CD1 3.89Å |
| 275 | Y | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 121 | 179.8 | -174.9 | -104.6 | 0 | 0 | 0 | 110.8 | F74 S266 F267 Y270 E277 I320 K321 L323 | F74-Y275 HydrophobicContact CD1-CD2 4.4Å; F74-Y275 AromaticContact CD2-CD2 3.9Å; F74-Y275 HydrophobicContact CD2-CD2 3.9Å; F74-Y275 HydrophobicContact CD2-CE2 4.44Å; F74-Y275 HydrophobicContact CE1-CD2 4.16Å; F74-Y275 HydrophobicContact CE1-CE2 4.46Å; F74-Y275 AromaticContact CE2-CD2 3.58Å; F74-Y275 HydrophobicContact CE2-CD2 3.58Å; F74-Y275 AromaticContact CE2-CE2 3.67Å; F74-Y275 HydrophobicContact CE2-CE2 3.67Å; F74-Y275 HydrophobicContact CG-CD2 4.28Å; F74-Y275 AromaticContact CZ-CD2 3.73Å; F74-Y275 HydrophobicContact CZ-CD2 3.73Å; F74-Y275 AromaticContact CZ-CE2 3.69Å; F74-Y275 HydrophobicContact CZ-CE2 3.69Å; S266-Y275 PolarHBondContact OG-OH 3.15Å; F267-Y275 HydrophobicContact CB-CE2 4.36Å; F267-Y275 WeakPolarHBondContact CB-OH 3.45Å; F267-Y275 HydrophobicContact CD2-CD1 4.25Å; F267-Y275 AromaticContact CD2-CE1 3.74Å; F267-Y275 HydrophobicContact CD2-CE1 3.74Å; F267-Y275 HydrophobicContact CD2-CE2 4.37Å; F267-Y275 AromaticContact CD2-CZ 3.81Å; F267-Y275 PolarHBondContact N-OH 3.32Å; Y270-Y275 AromaticContact CD2-CD2 3.89Å; Y270-Y275 HydrophobicContact CD2-CD2 3.89Å; Y270-Y275 HydrophobicContact CD2-CG 4.42Å; Y275-E277 HydrophobicContact CE1-CB 3.76Å; Y275-E277 HydrophobicContact CE2-CB 4.33Å; Y275-E277 VanDerWaalsContact OH-CB 3.27Å; Y275-E277 WeakPolarHBondContact OH-CB 3.17Å; Y275-I320 HydrophobicContact CD1-CD1 4.05Å; Y275-I320 HydrophobicContact CD2-CD1 4.1Å; Y275-I320 HydrophobicContact CG-CD1 3.62Å; Y275-K321 WeakPolarHBondContact CB-O 3.35Å; Y275-K321 PolarHBondContact N-O 3.47Å; Y275-L323 WeakPolarHBondContact O-CB 3.47Å; Y275-L323 PolarHBondContact O-N 3.07Å |
| 276 | N | 97.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | trans | -142 | 95.8 | -178.9 | 178.9 | 10.3 | 0 | 0 | 0 | 108.8 | F74 V274 P278 L323 | F74-N276 WeakPolarHBondContact CE1-O 3.33Å; V274-N276 PolarHBondContact O-N 3.37Å; N276-P278 WeakPolarHBondContact O-CD 3.44Å; N276-L323 HydrophobicContact CB-CB 4.38Å; N276-L323 HydrophobicContact CB-CD2 3.96Å; N276-L323 VanDerWaalsContact CG-CD2 3.5Å | ||
| 277 | E | 97.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 40 Ų | 40 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | trans | -105.6 | 106.8 | 178.6 | 178.5 | 52.6 | -103.7 | 0 | 0 | 109.6 | H264 S266 Y275 Q279 C280 Q329 | H264-E277 HydrophobicContact CB-CG 4.15Å; S266-E277 VanDerWaalsContact CB-OE2 3.29Å; S266-E277 WeakPolarHBondContact CB-OE2 3.33Å; S266-E277 PolarHBondContact OG-OE2 3.49Å; Y275-E277 HydrophobicContact CE1-CB 3.76Å; Y275-E277 HydrophobicContact CE2-CB 4.33Å; Y275-E277 VanDerWaalsContact OH-CB 3.27Å; Y275-E277 WeakPolarHBondContact OH-CB 3.17Å; E277-Q279 HydrophobicContact CG-CB 4.45Å; E277-Q279 PolarHBondContact O-N 2.94Å; E277-Q279 WeakPolarHBondContact OE1-CB 3.3Å; E277-Q279 PolarHBondContact OE1-N 2.98Å; E277-Q279 VanDerWaalsContact OE1-N 3.09Å; E277-C280 WeakPolarHBondContact O-CB 3.31Å; E277-C280 PolarHBondContact O-N 2.92Å; E277-Q329 PolarHBondContact O-NE2 3.48Å; E277-Q329 VanDerWaalsContact O-NE2 3.15Å | ||
| 278 | P | 95.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 40 Ų | 40 | 75% | 0.753 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.3 | -179.8 | -23.5 | 35 | 0 | 0 | 0 | 114.1 | N276 C280 | N276-P278 WeakPolarHBondContact O-CD 3.44Å; P278-C280 VanDerWaalsContact C-N 3.33Å |
| 279 | Q | 96.7 | Very high | 97.1 | Very high | 146 Ų | 146 | 40.1 Ų | 40.1 | 68% | 0.682 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3.7 | 179.9 | -60.6 | -169.6 | -43.4 | 0 | 0 | 113.7 | H264 E277 D281 | H264-Q279 VanDerWaalsContact CE1-C 3.46Å; H264-Q279 VanDerWaalsContact CE1-CB 3.41Å; H264-Q279 WeakPolarHBondContact CE1-CB 3.26Å; H264-Q279 PolarHBondContact CE1-O 3.41Å; H264-Q279 VanDerWaalsContact CE1-O 3.27Å; H264-Q279 VanDerWaalsContact NE2-C 3.32Å; H264-Q279 PolarHBondContact NE2-O 3.35Å; E277-Q279 HydrophobicContact CG-CB 4.45Å; E277-Q279 PolarHBondContact O-N 2.94Å; E277-Q279 WeakPolarHBondContact OE1-CB 3.3Å; E277-Q279 PolarHBondContact OE1-N 2.98Å; E277-Q279 VanDerWaalsContact OE1-N 3.09Å; Q279-D281 PolarHBondContact O-N 2.96Å |
| 280 | C | 97.2 | Very high | 97.1 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | trans | -57.5 | 135.4 | 177.8 | -100.5 | 0 | 0 | 0 | 0 | 112 | D261 H264 E277 P278 C330 | D261-C280 WeakPolarHBondContact OD2-CA 3.47Å; H264-C280 VanDerWaalsContact NE2-CA 3.33Å; H264-C280 WeakPolarHBondContact NE2-CA 3.16Å; H264-C280 PolarHBondContact NE2-N 3.44Å; E277-C280 WeakPolarHBondContact O-CB 3.31Å; E277-C280 PolarHBondContact O-N 2.92Å; P278-C280 VanDerWaalsContact C-N 3.33Å; C280-C330 HydrophobicContact CB-CB 3.8Å; C280-C330 WeakPolarHBondContact CB-SG 3.43Å; C280-C330 WeakPolarHBondContact SG-CB 3.5Å; C280-C330 CovalentContact SG-SG 2.04Å; C280-C330 PolarHBondContact SG-SG 3.11Å | ||
| 281 | D | 94.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | trans | -106.3 | 101.7 | 179.1 | -171.3 | -12.6 | 0 | 0 | 0 | 111.1 | D261 Q279 Q283 N284 | D261-D281 PolarHBondContact OD2-N 2.81Å; Q279-D281 PolarHBondContact O-N 2.96Å; D281-Q283 PolarHBondContact O-N 3.02Å; D281-Q283 WeakPolarHBondContact OD1-CA 3.44Å; D281-Q283 VanDerWaalsContact OD1-CB 3.29Å; D281-Q283 WeakPolarHBondContact OD1-CB 3.19Å; D281-Q283 PolarHBondContact OD1-N 2.7Å; D281-N284 HydrophobicContact CB-CB 4.16Å; D281-N284 PolarHBondContact O-N 3.03Å; D281-N284 PolarHBondContact OD2-ND2 3.37Å | ||
| 282 | A | 93.7 | Very high | 97.2 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 283 | Q | 91.5 | Very high | 97.2 | Very high | 108 Ų | 108 | 34.4 Ų | 34.4 | 51% | 0.505 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -6.7 | 176.4 | -55.9 | -57.1 | -47.4 | 0 | 0 | 113.8 | Y98 K102 D281 | Y98-Q283 WeakPolarHBondContact CD1-O 3.46Å; Y98-Q283 WeakPolarHBondContact CE1-O 3.41Å; K102-Q283 PolarHBondContact NZ-O 3.44Å; D281-Q283 PolarHBondContact O-N 3.02Å; D281-Q283 WeakPolarHBondContact OD1-CA 3.44Å; D281-Q283 VanDerWaalsContact OD1-CB 3.29Å; D281-Q283 WeakPolarHBondContact OD1-CB 3.19Å; D281-Q283 PolarHBondContact OD1-N 2.7Å |
| 284 | N | 93.9 | Very high | 97.2 | Very high | 96 Ų | 96 | 33.6 Ų | 33.6 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | trans | -130.5 | 72.5 | -178.3 | -73 | -41.8 | 0 | 0 | 0 | 110.9 | D281 | D281-N284 HydrophobicContact CB-CB 4.16Å; D281-N284 PolarHBondContact O-N 3.03Å; D281-N284 PolarHBondContact OD2-ND2 3.37Å | ||
| 285 | L | 97.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | -80.9 | 140 | 176.6 | -39.2 | 175.6 | 0 | 0 | 0 | 110.2 | F96 Y98 A259 C330 A335 | F96-L285 HydrophobicContact CD1-CB 4.01Å; F96-L285 HydrophobicContact CE1-CB 3.99Å; F96-L285 HydrophobicContact CE1-CD1 4.39Å; Y98-L285 WeakPolarHBondContact CB-O 3.49Å; Y98-L285 HydrophobicContact CD1-CB 4.25Å; Y98-L285 HydrophobicContact CD1-CD1 4.41Å; Y98-L285 HydrophobicContact CD1-CG 3.96Å; Y98-L285 HydrophobicContact CD2-CB 4.46Å; Y98-L285 HydrophobicContact CD2-CD1 3.97Å; Y98-L285 HydrophobicContact CD2-CG 4.3Å; Y98-L285 HydrophobicContact CE1-CD1 4.21Å; Y98-L285 HydrophobicContact CE1-CG 3.99Å; Y98-L285 HydrophobicContact CE2-CD1 3.74Å; Y98-L285 HydrophobicContact CE2-CG 4.33Å; Y98-L285 HydrophobicContact CG-CB 4.09Å; Y98-L285 HydrophobicContact CG-CD1 4.29Å; Y98-L285 HydrophobicContact CG-CG 4.11Å; A259-L285 HydrophobicContact CB-CB 4Å; A259-L285 HydrophobicContact CB-CD1 3.87Å; L285-C330 WeakPolarHBondContact CD2-O 3.07Å; L285-A335 HydrophobicContact CD1-CB 4.17Å | ||
| 286 | D | 97.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 37 Ų | 37 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | trans | -139.5 | -6.1 | -175.2 | 68 | -7.6 | 0 | 0 | 0 | 114.2 | N94 G95 F96 I260 A262 S263 | N94-D286 CarbonylContact C-O 3.59Å; N94-D286 WeakPolarHBondContact CA-O 3.11Å; N94-D286 HydrophobicContact CB-CB 4.04Å; N94-D286 VanDerWaalsContact CB-O 3.3Å; N94-D286 WeakPolarHBondContact CB-O 3.26Å; N94-D286 PolarHBondContact ND2-OD1 3.07Å; N94-D286 PolarHBondContact ND2-OD2 2.85Å; G95-D286 PolarHBondContact N-O 3.26Å; G95-D286 VanDerWaalsContact N-O 3.16Å; F96-D286 PolarHBondContact N-O 3.11Å; I260-D286 PolarHBondContact O-N 2.8Å; A262-D286 PolarHBondContact N-OD1 3.09Å; S263-D286 VanDerWaalsContact CB-OD2 3.25Å; S263-D286 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 287 | H | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.6 | -178.4 | -171.6 | 47.6 | 0 | 0 | 0 | 113.4 | C148 A259 I260 A262 V289 N308 W310 | C148-H287 WeakPolarHBondContact CB-CE1 3.35Å; C148-H287 WeakPolarHBondContact CB-ND1 3.26Å; C148-H287 PolarHBondContact SG-ND1 2.9Å; C148-H287 VanDerWaalsContact SG-ND1 3.4Å; A259-H287 CarbonylContact C-O 3.59Å; A259-H287 VanDerWaalsContact CA-O 3.24Å; A259-H287 WeakPolarHBondContact CA-O 3.36Å; I260-H287 HydrophobicContact CG1-CB 4.2Å; I260-H287 PolarHBondContact N-O 3.17Å; I260-H287 PolarHBondContact O-N 2.96Å; I260-H287 VanDerWaalsContact O-N 3.08Å; A262-H287 HydrophobicContact CB-CB 3.43Å; A262-H287 VanDerWaalsContact CB-CB 3.43Å; H287-V289 WeakPolarHBondContact CD2-CG1 3.38Å; H287-V289 WeakPolarHBondContact NE2-CG1 3.31Å; H287-N308 PolarHBondContact NE2-OD1 2.84Å; H287-W310 AromaticContact CD2-CZ2 3.91Å; H287-W310 AromaticContact CE1-CE2 3.7Å; H287-W310 AromaticContact CE1-CZ2 3.68Å; H287-W310 AromaticContact CE1-NE1 3.42Å; H287-W310 PolarHBondContact CE1-NE1 2.87Å; H287-W310 AromaticContact NE2-CE2 3.67Å; H287-W310 AromaticContact NE2-CZ2 3.55Å; H287-W310 AromaticContact NE2-NE1 3.76Å |
| 288 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C148 V258 | C148-G288 PolarHBondContact SG-N 3.21Å; V258-G288 WeakPolarHBondContact O-CA 3.46Å |
| 289 | V | 98.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 171.6 | -178.4 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | S152 V258 I260 H287 V306 | S152-V289 PolarHBondContact OG-O 2.04Å; V258-V289 HydrophobicContact CG2-CG2 3.45Å; V258-V289 VanDerWaalsContact CG2-CG2 3.45Å; V258-V289 PolarHBondContact N-O 3.42Å; V258-V289 PolarHBondContact O-N 2.89Å; V258-V289 VanDerWaalsContact O-O 3.1Å; I260-V289 HydrophobicContact CD1-CG1 4.14Å; I260-V289 HydrophobicContact CD1-CG2 4.04Å; I260-V289 HydrophobicContact CG1-CG1 4.49Å; I260-V289 HydrophobicContact CG1-CG2 4.13Å; I260-V289 HydrophobicContact CG2-CG2 4.15Å; H287-V289 WeakPolarHBondContact CD2-CG1 3.38Å; H287-V289 WeakPolarHBondContact NE2-CG1 3.31Å; V289-V306 HydrophobicContact CB-CG1 3.52Å; V289-V306 HydrophobicContact CG1-CG1 4.31Å; V289-V306 HydrophobicContact CG2-CG1 3.41Å; V289-V306 VanDerWaalsContact CG2-CG1 3.41Å |
| 290 | L | 98.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116.5 | -177.1 | -178.8 | 75.7 | 0 | 0 | 0 | 110.9 | A156 P255 V292 V306 K307 | A156-L290 HydrophobicContact CB-CD1 3.82Å; A156-L290 VanDerWaalsContact N-CD1 3.33Å; P255-L290 HydrophobicContact CB-CD1 3.79Å; P255-L290 HydrophobicContact CB-CD2 4.08Å; P255-L290 HydrophobicContact CB-CG 4.04Å; L290-V292 HydrophobicContact CD2-CG1 3.52Å; L290-V292 HydrophobicContact CG-CG1 3.77Å; L290-V292 PolarHBondContact O-N 3.19Å; L290-V306 CarbonylContact O-C 3.55Å; L290-V306 WeakPolarHBondContact O-CA 3.39Å; L290-K307 HydrophobicContact CB-CB 4.26Å; L290-K307 HydrophobicContact CD2-CB 4.47Å; L290-K307 HydrophobicContact CD2-CD 4.26Å; L290-K307 PolarHBondContact N-O 3.16Å; L290-K307 VanDerWaalsContact N-O 3.14Å; L290-K307 PolarHBondContact O-N 3.27Å |
| 291 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118.2 | 168.8 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | V250 P255 V256 V258 W304 V306 I332 | V250-V291 HydrophobicContact CG1-CG1 4.36Å; V250-V291 HydrophobicContact CG2-CB 4.34Å; V250-V291 HydrophobicContact CG2-CG1 3.65Å; P255-V291 CarbonylContact C-O 3.55Å; P255-V291 VanDerWaalsContact CA-O 3.24Å; P255-V291 WeakPolarHBondContact CA-O 3.47Å; V256-V291 PolarHBondContact N-O 2.89Å; V256-V291 PolarHBondContact O-N 3.34Å; V258-V291 HydrophobicContact CB-CG2 4.33Å; V258-V291 HydrophobicContact CG1-CB 4.46Å; V258-V291 HydrophobicContact CG1-CG2 3.6Å; V258-V291 HydrophobicContact CG2-CG2 3.71Å; V291-W304 HydrophobicContact CG1-CE3 3.75Å; V291-W304 HydrophobicContact CG1-CZ3 4.36Å; V291-V306 HydrophobicContact CG2-CG2 4.17Å; V291-I332 HydrophobicContact CG2-CD1 4.14Å; V291-I332 HydrophobicContact CG2-CG1 4.43Å |
| 292 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 3.5 | -179.8 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | W130 R131 V136 P255 L290 L305 K307 F319 | W130-V292 WeakPolarHBondContact CB-O 3.27Å; W130-V292 VanDerWaalsContact CD1-O 3.22Å; W130-V292 PolarHBondContact N-O 3.02Å; R131-V292 HydrophobicContact CG-CG2 4.32Å; V136-V292 HydrophobicContact CG1-CG1 3.97Å; V136-V292 HydrophobicContact CG2-CB 3.91Å; V136-V292 HydrophobicContact CG2-CG1 3.72Å; P255-V292 HydrophobicContact CB-CG1 4.38Å; L290-V292 HydrophobicContact CD2-CG1 3.52Å; L290-V292 HydrophobicContact CG-CG1 3.77Å; L290-V292 PolarHBondContact O-N 3.19Å; V292-L305 HydrophobicContact CG2-CB 4.36Å; V292-L305 HydrophobicContact CG2-CD2 3.84Å; V292-L305 HydrophobicContact CG2-CG 3.72Å; V292-L305 WeakPolarHBondContact CG2-O 3.25Å; V292-L305 PolarHBondContact N-O 3.35Å; V292-K307 HydrophobicContact CG1-CB 4.06Å; V292-F319 HydrophobicContact CG2-CD1 4.35Å; V292-F319 HydrophobicContact CG2-CE1 4.08Å |
| 293 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -175.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V128 L305 | V128-G293 CarbonylContact O-C 3.35Å; V128-G293 WeakPolarHBondContact O-CA 3.33Å; G293-L305 PolarHBondContact N-O 2.89Å; G293-L305 PolarHBondContact O-N 3.25Å |
| 294 | F | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 162.9 | 172.9 | 58.2 | -98.6 | 0 | 0 | 0 | 109.9 | P125 S127 V128 A247 V250 A251 Y303 W304 | P125-F294 WeakPolarHBondContact O-CE2 3.44Å; S127-F294 CarbonylContact C-O 3.55Å; S127-F294 WeakPolarHBondContact CA-O 3.32Å; S127-F294 WeakPolarHBondContact CB-O 3.49Å; V128-F294 HydrophobicContact CB-CD1 4.17Å; V128-F294 HydrophobicContact CB-CE1 3.93Å; V128-F294 HydrophobicContact CB-CZ 4.21Å; V128-F294 HydrophobicContact CG2-CD1 4.25Å; V128-F294 HydrophobicContact CG2-CE1 3.52Å; V128-F294 HydrophobicContact CG2-CE2 4.12Å; V128-F294 HydrophobicContact CG2-CZ 3.45Å; V128-F294 VanDerWaalsContact CG2-CZ 3.45Å; V128-F294 PolarHBondContact N-O 3.37Å; V128-F294 PolarHBondContact O-N 3.45Å; A247-F294 HydrophobicContact CB-CD1 4.46Å; A247-F294 HydrophobicContact CB-CE1 4.17Å; A247-F294 WeakPolarHBondContact O-CE1 3.23Å; V250-F294 HydrophobicContact CB-CD1 4.29Å; V250-F294 HydrophobicContact CB-CE1 4.32Å; V250-F294 HydrophobicContact CG1-CD1 3.89Å; V250-F294 HydrophobicContact CG1-CE1 4.13Å; A251-F294 HydrophobicContact CB-CE1 4.1Å; A251-F294 HydrophobicContact CB-CZ 4.16Å; F294-Y303 CarbonylContact C-O 3.2Å; F294-Y303 WeakPolarHBondContact CA-O 3.47Å; F294-Y303 VanDerWaalsContact CB-O 3.25Å; F294-Y303 WeakPolarHBondContact CB-O 3.45Å; F294-W304 HydrophobicContact CB-CE3 3.82Å; F294-W304 HydrophobicContact CB-CZ3 4.03Å; F294-W304 HydrophobicContact CD1-CE3 4.47Å; F294-W304 AromaticContact CD1-CZ3 3.94Å; F294-W304 HydrophobicContact CD1-CZ3 3.94Å; F294-W304 HydrophobicContact CG-CZ3 4.31Å |
| 295 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | -163.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D302 Y303 | G295-D302 CarbonylContact O-C 3.51Å; G295-D302 WeakPolarHBondContact O-CA 3.26Å; G295-Y303 PolarHBondContact N-O 2.86Å; G295-Y303 PolarHBondContact O-N 3.03Å |
| 296 | T | 98.4 | Very high | 97.9 | Very high | 72 Ų | 72 | 31.1 Ų | 31.1 | 44% | 0.442 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.3 | 172 | -46.7 | 0 | 0 | 0 | 0 | 106.7 | G300 E301 D302 | T296-G300 VanDerWaalsContact CG2-C 3.45Å; T296-E301 CarbonylContact C-O 3.54Å; T296-E301 WeakPolarHBondContact CA-O 3.23Å; T296-D302 PolarHBondContact OG1-OD1 2.64Å |
| 297 | D | 96.5 | Very high | 98 | Very high | 38 Ų | 38 | 30.5 Ų | 30.5 | 20% | 0.203 | 17% | 0.173 | C | C | . | . | trans | -82.2 | -178.2 | 179.1 | 84.6 | -14.6 | 0 | 0 | 0 | 112.1 | V274 S299 G300 E301 Y303 | V274-D297 HydrophobicContact CG2-CB 4.11Å; D297-S299 VanDerWaalsContact CG-OG 3.29Å; D297-S299 PolarHBondContact O-N 3.38Å; D297-S299 WeakPolarHBondContact OD1-CA 3.44Å; D297-S299 PolarHBondContact OD1-N 2.96Å; D297-S299 PolarHBondContact OD1-OG 3.47Å; D297-S299 PolarHBondContact OD2-OG 3.47Å; D297-S299 VanDerWaalsContact OD2-OG 3.07Å; D297-G300 PolarHBondContact O-N 3.03Å; D297-G300 PolarHBondContact OD1-N 3.45Å; D297-E301 PolarHBondContact N-O 2.67Å; D297-E301 PolarHBondContact OD1-N 2.55Å; D297-Y303 HydrophobicContact CB-CD1 4.15Å; D297-Y303 HydrophobicContact CB-CE1 4.09Å | ||
| 298 | E | 95 | Very high | 98 | Very high | 212 Ų | 212 | 30.8 Ų | 30.8 | 99% | 0.991 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.8 | -178.8 | -62.4 | 180 | -178.9 | 0 | 0 | 113.3 | G300 | E298-G300 VanDerWaalsContact C-N 3.34Š|
| 299 | S | 93 | Very high | 97.9 | Very high | 86 Ų | 86 | 31 Ų | 31 | 60% | 0.601 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.2 | 176.9 | 78.6 | 0 | 0 | 0 | 0 | 113.1 | D297 | D297-S299 VanDerWaalsContact CG-OG 3.29Å; D297-S299 PolarHBondContact O-N 3.38Å; D297-S299 WeakPolarHBondContact OD1-CA 3.44Å; D297-S299 PolarHBondContact OD1-N 2.96Å; D297-S299 PolarHBondContact OD1-OG 3.47Å; D297-S299 PolarHBondContact OD2-OG 3.47Å; D297-S299 VanDerWaalsContact OD2-OG 3.07Å |
| 300 | G | 95.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 55% | 0.546 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 92.1 | 8.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T296 D297 E298 | T296-G300 VanDerWaalsContact CG2-C 3.45Å; D297-G300 PolarHBondContact O-N 3.03Å; D297-G300 PolarHBondContact OD1-N 3.45Å; E298-G300 VanDerWaalsContact C-N 3.34Å |
| 301 | E | 96.6 | Very high | 97.9 | Very high | 54 Ų | 54 | 31 Ų | 31 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | trans | -81.8 | 122.9 | 177.2 | -69.8 | -169 | 130.1 | 0 | 0 | 110.8 | S73 V274 T296 D297 L323 | S73-E301 WeakPolarHBondContact CB-OE2 3.16Å; V274-E301 HydrophobicContact CB-CB 4.45Å; V274-E301 HydrophobicContact CG1-CB 4.4Å; V274-E301 HydrophobicContact CG2-CB 4.14Å; T296-E301 CarbonylContact C-O 3.54Å; T296-E301 WeakPolarHBondContact CA-O 3.23Å; D297-E301 PolarHBondContact N-O 2.67Å; D297-E301 PolarHBondContact OD1-N 2.55Å; E301-L323 HydrophobicContact CB-CD1 4.4Å | ||
| 302 | D | 98.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.9 | 172.2 | -80.1 | -29.3 | 0 | 0 | 0 | 110.4 | G295 T296 R324 N325 | G295-D302 CarbonylContact O-C 3.51Å; G295-D302 WeakPolarHBondContact O-CA 3.26Å; T296-D302 PolarHBondContact OG1-OD1 2.64Å; D302-R324 HydrophobicContact CB-CB 4.1Å; D302-R324 VanDerWaalsContact CG-NH2 3.32Å; D302-R324 PolarHBondContact O-N 3.35Å; D302-R324 IonicContact OD1-NH2 3.95Å; D302-R324 PolarHBondContact OD1-NH2 3.24Å; D302-R324 IonicContact OD2-NH2 3.36Å; D302-N325 PolarHBondContact OD2-ND2 3.37Å |
| 303 | Y | 98.8 | Very high | 97.6 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.2 | 178.7 | 65.4 | -95.4 | 0 | 0 | 0 | 113.3 | V274 F294 G295 D297 L305 K321 M322 | V274-Y303 HydrophobicContact CG2-CD1 4.34Å; F294-Y303 CarbonylContact C-O 3.2Å; F294-Y303 WeakPolarHBondContact CA-O 3.47Å; F294-Y303 VanDerWaalsContact CB-O 3.25Å; F294-Y303 WeakPolarHBondContact CB-O 3.45Å; G295-Y303 PolarHBondContact N-O 2.86Å; G295-Y303 PolarHBondContact O-N 3.03Å; D297-Y303 HydrophobicContact CB-CD1 4.15Å; D297-Y303 HydrophobicContact CB-CE1 4.09Å; Y303-L305 HydrophobicContact CD2-CB 4.44Å; Y303-L305 HydrophobicContact CE2-CB 4.2Å; Y303-K321 HydrophobicContact CD1-CD 4.11Å; Y303-K321 HydrophobicContact CD2-CB 3.92Å; Y303-K321 HydrophobicContact CD2-CD 4.08Å; Y303-K321 HydrophobicContact CD2-CG 3.68Å; Y303-K321 HydrophobicContact CE1-CD 4.12Å; Y303-K321 HydrophobicContact CE2-CD 4.12Å; Y303-K321 HydrophobicContact CE2-CG 3.96Å; Y303-K321 HydrophobicContact CG-CB 3.92Å; Y303-K321 HydrophobicContact CG-CD 4.09Å; Y303-K321 HydrophobicContact CG-CG 4.01Å; Y303-M322 CarbonylContact C-O 3.37Å; Y303-M322 WeakPolarHBondContact CA-O 3.32Å; Y303-M322 WeakPolarHBondContact CB-O 3.35Å |
| 304 | W | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.1 | 157.9 | -61.7 | 109.3 | 0 | 0 | 0 | 109.4 | E243 M246 A247 V250 V291 F294 V306 K321 M322 R324 I332 | E243-W304 HydrophobicContact CB-CZ2 4.09Å; E243-W304 HydrophobicContact CG-CZ2 4.43Å; E243-W304 WeakPolarHBondContact O-CH2 3.27Å; E243-W304 PolarHBondContact OE1-NE1 3.33Å; E243-W304 VanDerWaalsContact OE1-NE1 3.14Å; M246-W304 HydrophobicContact CB-CH2 4.08Å; M246-W304 HydrophobicContact CB-CZ2 4.44Å; M246-W304 HydrophobicContact CE-CD2 3.64Å; M246-W304 HydrophobicContact CE-CE3 3.99Å; M246-W304 HydrophobicContact CE-CG 4.34Å; M246-W304 HydrophobicContact CE-CH2 3.59Å; M246-W304 HydrophobicContact CE-CZ2 3.2Å; M246-W304 HydrophobicContact CE-CZ3 3.97Å; M246-W304 HydrophobicContact CG-CH2 4.18Å; M246-W304 HydrophobicContact CG-CZ3 4.49Å; A247-W304 HydrophobicContact CB-CH2 3.71Å; A247-W304 HydrophobicContact CB-CZ3 4.21Å; V250-W304 HydrophobicContact CG2-CZ3 4.39Å; V291-W304 HydrophobicContact CG1-CE3 3.75Å; V291-W304 HydrophobicContact CG1-CZ3 4.36Å; F294-W304 HydrophobicContact CB-CE3 3.82Å; F294-W304 HydrophobicContact CB-CZ3 4.03Å; F294-W304 HydrophobicContact CD1-CE3 4.47Å; F294-W304 AromaticContact CD1-CZ3 3.94Å; F294-W304 HydrophobicContact CD1-CZ3 3.94Å; F294-W304 HydrophobicContact CG-CZ3 4.31Å; W304-V306 HydrophobicContact CB-CG2 4Å; W304-K321 CarbonylContact O-C 3.58Å; W304-K321 VanDerWaalsContact O-CA 3.28Å; W304-K321 WeakPolarHBondContact O-CA 3.15Å; W304-M322 HydrophobicContact CB-CB 4.34Å; W304-M322 PolarHBondContact N-O 3.32Å; W304-M322 PolarHBondContact O-N 3.04Å; W304-R324 HydrophobicContact CD2-CB 4.34Å; W304-R324 HydrophobicContact CD2-CG 4.06Å; W304-R324 VanDerWaalsContact CE2-CG 3.4Å; W304-R324 HydrophobicContact CG-CB 4.15Å; W304-R324 HydrophobicContact CG-CG 4.39Å; W304-R324 HydrophobicContact CH2-CG 4.43Å; W304-R324 HydrophobicContact CZ2-CG 3.62Å; W304-I332 HydrophobicContact CB-CD1 3.79Å; W304-I332 HydrophobicContact CG-CD1 3.74Å |
| 305 | L | 98.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.9 | 171.3 | 178.3 | 65.9 | 0 | 0 | 0 | 108.5 | D129 V292 G293 Y303 F319 | D129-L305 HydrophobicContact CB-CD2 4.37Å; V292-L305 HydrophobicContact CG2-CB 4.36Å; V292-L305 HydrophobicContact CG2-CD2 3.84Å; V292-L305 HydrophobicContact CG2-CG 3.72Å; V292-L305 WeakPolarHBondContact CG2-O 3.25Å; V292-L305 PolarHBondContact N-O 3.35Å; G293-L305 PolarHBondContact N-O 2.89Å; G293-L305 PolarHBondContact O-N 3.25Å; Y303-L305 HydrophobicContact CD2-CB 4.44Å; Y303-L305 HydrophobicContact CE2-CB 4.2Å; L305-F319 HydrophobicContact CD1-CB 4.39Å; L305-F319 HydrophobicContact CD1-CD1 4.42Å |
| 306 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.4 | -169.3 | 180 | 0 | 0 | 0 | 0 | 110.1 | V289 L290 V291 W304 F319 I320 M322 I332 | V289-V306 HydrophobicContact CB-CG1 3.52Å; V289-V306 HydrophobicContact CG1-CG1 4.31Å; V289-V306 HydrophobicContact CG2-CG1 3.41Å; V289-V306 VanDerWaalsContact CG2-CG1 3.41Å; L290-V306 CarbonylContact O-C 3.55Å; L290-V306 WeakPolarHBondContact O-CA 3.39Å; V291-V306 HydrophobicContact CG2-CG2 4.17Å; W304-V306 HydrophobicContact CB-CG2 4Å; V306-F319 CarbonylContact O-C 3.05Å; V306-F319 VanDerWaalsContact O-CA 3.23Å; V306-F319 WeakPolarHBondContact O-CA 3.49Å; V306-F319 WeakPolarHBondContact O-CD1 3.38Å; V306-I320 HydrophobicContact CB-CG2 3.73Å; V306-I320 HydrophobicContact CG1-CG2 4.06Å; V306-I320 PolarHBondContact N-O 3.2Å; V306-I320 PolarHBondContact O-N 3.46Å; V306-M322 HydrophobicContact CG2-CB 4.49Å; V306-M322 HydrophobicContact CG2-CG 4.16Å; V306-M322 HydrophobicContact CG2-SD 4.17Å; V306-I332 HydrophobicContact CG2-CD1 3.95Å |
| 307 | K | 98.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 8% | 0.078 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.1 | 170.2 | -175.2 | -177.4 | 175.2 | -176.8 | 0 | 109 | V136 T137 A138 V139 L290 V292 F319 | V136-K307 HydrophobicContact CG1-CD 3.72Å; T137-K307 WeakPolarHBondContact O-CE 2.98Å; T137-K307 PolarHBondContact O-NZ 3.03Å; T137-K307 PolarHBondContact OG1-NZ 2.86Å; A138-K307 VanDerWaalsContact O-CE 3.31Å; A138-K307 WeakPolarHBondContact O-CE 3.36Å; A138-K307 PolarHBondContact O-NZ 2.84Å; V139-K307 HydrophobicContact CG2-CG 4.24Å; L290-K307 HydrophobicContact CB-CB 4.26Å; L290-K307 HydrophobicContact CD2-CB 4.47Å; L290-K307 HydrophobicContact CD2-CD 4.26Å; L290-K307 PolarHBondContact N-O 3.16Å; L290-K307 VanDerWaalsContact N-O 3.14Å; L290-K307 PolarHBondContact O-N 3.27Å; V292-K307 HydrophobicContact CG1-CB 4.06Å; K307-F319 HydrophobicContact CB-CD1 3.92Å; K307-F319 HydrophobicContact CB-CE1 3.54Å; K307-F319 HydrophobicContact CB-CZ 4.33Å; K307-F319 HydrophobicContact CD-CE1 4.36Å; K307-F319 HydrophobicContact CD-CZ 4.42Å; K307-F319 HydrophobicContact CG-CD1 4.39Å; K307-F319 HydrophobicContact CG-CE1 3.78Å; K307-F319 HydrophobicContact CG-CZ 4.06Å |
| 308 | N | 98.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | trans | -103 | 172.4 | 174.5 | -160.8 | 4 | 0 | 0 | 0 | 110.9 | H287 W314 G318 | H287-N308 PolarHBondContact NE2-OD1 2.84Å; N308-W314 HydrophobicContact CB-CE3 3.86Å; N308-W314 HydrophobicContact CB-CH2 4.13Å; N308-W314 HydrophobicContact CB-CZ3 3.41Å; N308-W314 VanDerWaalsContact CB-CZ3 3.41Å; N308-W314 VanDerWaalsContact ND2-CE3 3.33Å; N308-W314 WeakPolarHBondContact ND2-CH2 3.36Å; N308-W314 WeakPolarHBondContact ND2-CZ3 3.34Å; N308-G318 PolarHBondContact N-O 3.01Å | ||
| 309 | S | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -114.8 | 30.1 | -177.7 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | K140 D141 Q142 F151 | K140-S309 CarbonylContact O-C 3.46Å; D141-S309 CarbonylContact C-O 3.57Å; D141-S309 WeakPolarHBondContact CA-O 3.33Å; Q142-S309 PolarHBondContact N-O 2.04Å; Q142-S309 PolarHBondContact OE1-OG 3.27Å; F151-S309 VanDerWaalsContact CG-CB 3.5Å |
| 310 | W | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -111.2 | 20 | -172.5 | -70 | -1.9 | 0 | 0 | 0 | 113.8 | K80 Y81 F89 M93 A262 F267 H287 W314 | K80-W310 WeakPolarHBondContact CE-O 3.36Å; Y81-W310 HydrophobicContact CE2-CB 4.09Å; Y81-W310 HydrophobicContact CE2-CD2 4.36Å; Y81-W310 HydrophobicContact CE2-CE3 4.21Å; Y81-W310 HydrophobicContact CE2-CG 4.34Å; Y81-W310 VanDerWaalsContact OH-CB 3.26Å; Y81-W310 WeakPolarHBondContact OH-CB 3.24Å; Y81-W310 PolarHBondContact OH-O 3.4Å; F89-W310 AromaticContact CE1-CH2 3.99Å; F89-W310 HydrophobicContact CE1-CH2 3.99Å; F89-W310 HydrophobicContact CE1-CZ3 4.41Å; F89-W310 HydrophobicContact CE2-CH2 4.32Å; F89-W310 HydrophobicContact CE2-CZ3 4.26Å; F89-W310 HydrophobicContact CZ-CE3 4.19Å; F89-W310 AromaticContact CZ-CH2 3.35Å; F89-W310 HydrophobicContact CZ-CH2 3.35Å; F89-W310 AromaticContact CZ-CZ2 3.99Å; F89-W310 HydrophobicContact CZ-CZ2 3.99Å; F89-W310 AromaticContact CZ-CZ3 3.48Å; F89-W310 HydrophobicContact CZ-CZ3 3.48Å; F89-W310 VanDerWaalsContact CZ-CZ3 3.48Å; M93-W310 HydrophobicContact CB-CZ2 3.76Å; M93-W310 HydrophobicContact CE-CD2 4.27Å; M93-W310 HydrophobicContact CE-CG 3.9Å; A262-W310 HydrophobicContact CB-CH2 4.48Å; F267-W310 AromaticContact CD1-CH2 3.43Å; F267-W310 HydrophobicContact CD1-CH2 3.43Å; F267-W310 VanDerWaalsContact CD1-CH2 3.43Å; F267-W310 AromaticContact CD1-CZ3 3.47Å; F267-W310 HydrophobicContact CD1-CZ3 3.47Å; F267-W310 VanDerWaalsContact CD1-CZ3 3.47Å; F267-W310 HydrophobicContact CE1-CE3 4.39Å; F267-W310 AromaticContact CE1-CH2 3.37Å; F267-W310 HydrophobicContact CE1-CH2 3.37Å; F267-W310 HydrophobicContact CE1-CZ2 4.26Å; F267-W310 AromaticContact CE1-CZ3 3.43Å; F267-W310 HydrophobicContact CE1-CZ3 3.43Å; F267-W310 VanDerWaalsContact CE1-CZ3 3.43Å; H287-W310 AromaticContact CD2-CZ2 3.91Å; H287-W310 AromaticContact CE1-CE2 3.7Å; H287-W310 AromaticContact CE1-CZ2 3.68Å; H287-W310 AromaticContact CE1-NE1 3.42Å; H287-W310 PolarHBondContact CE1-NE1 2.87Å; H287-W310 AromaticContact NE2-CE2 3.67Å; H287-W310 AromaticContact NE2-CZ2 3.55Å; H287-W310 AromaticContact NE2-NE1 3.76Å; W310-W314 HydrophobicContact CB-CB 4.05Å; W310-W314 HydrophobicContact CB-CD2 4.44Å; W310-W314 HydrophobicContact CB-CG 4.17Å; W310-W314 AromaticContact CE3-CD1 3.59Å; W310-W314 AromaticContact CE3-CD2 3.74Å; W310-W314 HydrophobicContact CE3-CD2 3.74Å; W310-W314 AromaticContact CE3-CE2 3.48Å; W310-W314 VanDerWaalsContact CE3-CE2 3.48Å; W310-W314 AromaticContact CE3-CG 3.82Å; W310-W314 HydrophobicContact CE3-CG 3.82Å; W310-W314 HydrophobicContact CE3-CZ2 4.04Å; W310-W314 AromaticContact CE3-NE1 3.39Å; W310-W314 HydrophobicContact CZ3-CD2 4.4Å; W310-W314 AromaticContact CZ3-CE2 3.67Å; W310-W314 AromaticContact CZ3-CZ2 3.9Å; W310-W314 HydrophobicContact CZ3-CZ2 3.9Å; W310-W314 AromaticContact CZ3-NE1 3.51Å |
| 311 | G | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | trans | 75.1 | 170.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K140 T313 W314 | K140-G311 PolarHBondContact O-N 3.36Å; G311-T313 VanDerWaalsContact C-N 3.26Å; G311-T313 PolarHBondContact O-N 2.9Å; G311-W314 PolarHBondContact O-N 3.21Å | ||
| 312 | T | 97.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 29.2 Ų | 29.2 | 55% | 0.552 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.8 | -176.2 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | V139 W314 K317 | V139-T312 HydrophobicContact CB-CG2 4.04Å; V139-T312 HydrophobicContact CG1-CG2 4.3Å; T312-W314 VanDerWaalsContact C-N 3.26Å; T312-K317 WeakPolarHBondContact O-CA 3.5Å |
| 313 | T | 95.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 27.6 Ų | 27.6 | 41% | 0.405 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.4 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | N79 G311 | N79-T313 WeakPolarHBondContact CB-O 3.35Å; G311-T313 VanDerWaalsContact C-N 3.26Å; G311-T313 PolarHBondContact O-N 2.9Å |
| 314 | W | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -106.4 | 144.1 | 176.3 | 178.5 | 93 | 0 | 0 | 0 | 110.4 | Y81 F267 Q268 Y270 N308 W310 G311 T312 G318 I320 | Y81-W314 HydrophobicContact CE2-CB 4.46Å; F267-W314 AromaticContact CD1-CZ2 3.88Å; F267-W314 HydrophobicContact CD1-CZ2 3.88Å; F267-W314 AromaticContact CE1-CH2 3.91Å; F267-W314 HydrophobicContact CE1-CH2 3.91Å; F267-W314 AromaticContact CE1-CZ2 3.53Å; F267-W314 HydrophobicContact CE1-CZ2 3.53Å; F267-W314 HydrophobicContact CE2-CH2 4.44Å; F267-W314 HydrophobicContact CE2-CZ2 4.44Å; F267-W314 HydrophobicContact CG-CZ2 4.47Å; F267-W314 AromaticContact CZ-CH2 3.79Å; F267-W314 HydrophobicContact CZ-CH2 3.79Å; F267-W314 AromaticContact CZ-CZ2 3.84Å; F267-W314 HydrophobicContact CZ-CZ2 3.84Å; F267-W314 WeakPolarHBondContact O-CZ2 3.34Å; F267-W314 PolarHBondContact O-NE1 2.95Å; Q268-W314 VanDerWaalsContact O-CD1 3.29Å; Q268-W314 PolarHBondContact O-NE1 3.43Å; Q268-W314 VanDerWaalsContact O-NE1 3.17Å; Y270-W314 HydrophobicContact CD1-CH2 4.07Å; Y270-W314 HydrophobicContact CD1-CZ2 4.14Å; Y270-W314 HydrophobicContact CD1-CZ3 4.48Å; N308-W314 HydrophobicContact CB-CE3 3.86Å; N308-W314 HydrophobicContact CB-CH2 4.13Å; N308-W314 HydrophobicContact CB-CZ3 3.41Å; N308-W314 VanDerWaalsContact CB-CZ3 3.41Å; N308-W314 VanDerWaalsContact ND2-CE3 3.33Å; N308-W314 WeakPolarHBondContact ND2-CH2 3.36Å; N308-W314 WeakPolarHBondContact ND2-CZ3 3.34Å; W310-W314 HydrophobicContact CB-CB 4.05Å; W310-W314 HydrophobicContact CB-CD2 4.44Å; W310-W314 HydrophobicContact CB-CG 4.17Å; W310-W314 AromaticContact CE3-CD1 3.59Å; W310-W314 AromaticContact CE3-CD2 3.74Å; W310-W314 HydrophobicContact CE3-CD2 3.74Å; W310-W314 AromaticContact CE3-CE2 3.48Å; W310-W314 VanDerWaalsContact CE3-CE2 3.48Å; W310-W314 AromaticContact CE3-CG 3.82Å; W310-W314 HydrophobicContact CE3-CG 3.82Å; W310-W314 HydrophobicContact CE3-CZ2 4.04Å; W310-W314 AromaticContact CE3-NE1 3.39Å; W310-W314 HydrophobicContact CZ3-CD2 4.4Å; W310-W314 AromaticContact CZ3-CE2 3.67Å; W310-W314 AromaticContact CZ3-CZ2 3.9Å; W310-W314 HydrophobicContact CZ3-CZ2 3.9Å; W310-W314 AromaticContact CZ3-NE1 3.51Å; G311-W314 PolarHBondContact O-N 3.21Å; T312-W314 VanDerWaalsContact C-N 3.26Å; W314-G318 WeakPolarHBondContact O-CA 3.3Å; W314-G318 PolarHBondContact O-N 3.15Å; W314-I320 HydrophobicContact CH2-CB 3.78Å; W314-I320 HydrophobicContact CH2-CD1 4.09Å; W314-I320 HydrophobicContact CH2-CG2 3.87Å; W314-I320 HydrophobicContact CZ3-CB 4.11Å; W314-I320 HydrophobicContact CZ3-CG2 4.22Å |
| 315 | G | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -156.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y270 S271 K317 | Y270-G315 VanDerWaalsContact O-CA 3.29Å; Y270-G315 WeakPolarHBondContact O-CA 3.26Å; Y270-G315 PolarHBondContact O-N 2.93Å; Y270-G315 VanDerWaalsContact O-N 3.08Å; S271-G315 CarbonylContact O-C 3.48Å; G315-K317 PolarHBondContact O-N 3.36Å; G315-K317 VanDerWaalsContact O-N 3.11Å |
| 316 | D | 98.3 | Very high | 98 | Very high | 76 Ų | 76 | 36.5 Ų | 36.5 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | -84.1 | 85.3 | 173.3 | 179.4 | 11.7 | 0 | 0 | 0 | 107.9 | S271 G318 F319 | S271-D316 PolarHBondContact O-N 3.43Å; D316-G318 PolarHBondContact O-N 3.45Å; D316-F319 PolarHBondContact N-O 3.33Å; D316-F319 WeakPolarHBondContact O-CB 3.46Å; D316-F319 PolarHBondContact O-N 3.25Å |
| 317 | K | 98 | Very high | 97.9 | Very high | 152 Ų | 152 | 45.1 Ų | 45.1 | 66% | 0.661 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.7 | -177.9 | -56.4 | 175.5 | -176.6 | 173.2 | 0 | 112.7 | T312 G315 | T312-K317 WeakPolarHBondContact O-CA 3.5Å; G315-K317 PolarHBondContact O-N 3.36Å; G315-K317 VanDerWaalsContact O-N 3.11Å |
| 318 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 4.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N308 W314 D316 | N308-G318 PolarHBondContact N-O 3.01Å; W314-G318 WeakPolarHBondContact O-CA 3.3Å; W314-G318 PolarHBondContact O-N 3.15Å; D316-G318 PolarHBondContact O-N 3.45Å |
| 319 | F | 98.8 | Very high | 97.8 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 155.6 | 175.9 | -64.3 | -95 | 0 | 0 | 0 | 111.6 | R131 V139 Y270 V292 L305 V306 K307 D316 | R131-F319 VanDerWaalsContact CD-CE1 3.48Å; R131-F319 HydrophobicContact CG-CE1 4.22Å; R131-F319 HydrophobicContact CG-CZ 4.29Å; V139-F319 HydrophobicContact CG2-CD2 4.09Å; V139-F319 HydrophobicContact CG2-CE2 3.5Å; V139-F319 VanDerWaalsContact CG2-CE2 3.5Å; V139-F319 HydrophobicContact CG2-CZ 3.93Å; Y270-F319 WeakPolarHBondContact CE1-O 3.41Å; V292-F319 HydrophobicContact CG2-CD1 4.35Å; V292-F319 HydrophobicContact CG2-CE1 4.08Å; L305-F319 HydrophobicContact CD1-CB 4.39Å; L305-F319 HydrophobicContact CD1-CD1 4.42Å; V306-F319 CarbonylContact O-C 3.05Å; V306-F319 VanDerWaalsContact O-CA 3.23Å; V306-F319 WeakPolarHBondContact O-CA 3.49Å; V306-F319 WeakPolarHBondContact O-CD1 3.38Å; K307-F319 HydrophobicContact CB-CD1 3.92Å; K307-F319 HydrophobicContact CB-CE1 3.54Å; K307-F319 HydrophobicContact CB-CZ 4.33Å; K307-F319 HydrophobicContact CD-CE1 4.36Å; K307-F319 HydrophobicContact CD-CZ 4.42Å; K307-F319 HydrophobicContact CG-CD1 4.39Å; K307-F319 HydrophobicContact CG-CE1 3.78Å; K307-F319 HydrophobicContact CG-CZ 4.06Å; D316-F319 PolarHBondContact N-O 3.33Å; D316-F319 WeakPolarHBondContact O-CB 3.46Å; D316-F319 PolarHBondContact O-N 3.25Å |
| 320 | I | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142 | 172.8 | 177.7 | 164.9 | 0 | 0 | 0 | 109.3 | F267 Y270 Y275 V306 W314 M322 | F267-I320 HydrophobicContact CD2-CD1 4.01Å; F267-I320 HydrophobicContact CE2-CD1 3.59Å; F267-I320 HydrophobicContact CZ-CD1 4.31Å; Y270-I320 HydrophobicContact CD1-CB 3.91Å; Y270-I320 HydrophobicContact CD1-CD1 3.8Å; Y270-I320 HydrophobicContact CD1-CG1 3.82Å; Y270-I320 HydrophobicContact CD2-CD1 3.92Å; Y270-I320 HydrophobicContact CD2-CG1 4.17Å; Y270-I320 HydrophobicContact CE1-CB 3.6Å; Y270-I320 HydrophobicContact CE1-CD1 4.13Å; Y270-I320 HydrophobicContact CE1-CG1 3.61Å; Y270-I320 HydrophobicContact CE2-CD1 4.18Å; Y270-I320 HydrophobicContact CE2-CG1 3.91Å; Y270-I320 HydrophobicContact CG-CD1 3.72Å; Y270-I320 HydrophobicContact CG-CG1 4.12Å; Y275-I320 HydrophobicContact CD1-CD1 4.05Å; Y275-I320 HydrophobicContact CD2-CD1 4.1Å; Y275-I320 HydrophobicContact CG-CD1 3.62Å; V306-I320 HydrophobicContact CB-CG2 3.73Å; V306-I320 HydrophobicContact CG1-CG2 4.06Å; V306-I320 PolarHBondContact N-O 3.2Å; V306-I320 PolarHBondContact O-N 3.46Å; W314-I320 HydrophobicContact CH2-CB 3.78Å; W314-I320 HydrophobicContact CH2-CD1 4.09Å; W314-I320 HydrophobicContact CH2-CG2 3.87Å; W314-I320 HydrophobicContact CZ3-CB 4.11Å; W314-I320 HydrophobicContact CZ3-CG2 4.22Å; I320-M322 HydrophobicContact CD1-CG 4.17Å; I320-M322 HydrophobicContact CG1-CG 4Å; I320-M322 HydrophobicContact CG2-CG 4.16Å |
| 321 | K | 98.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 27% | 0.265 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 111.3 | 165.1 | -66.8 | 177.6 | -178.3 | 171.7 | 0 | 107.1 | Y270 V274 Y275 Y303 W304 | Y270-K321 PolarHBondContact OH-N 2.62Å; V274-K321 HydrophobicContact CG2-CB 4.4Å; Y275-K321 WeakPolarHBondContact CB-O 3.35Å; Y275-K321 PolarHBondContact N-O 3.47Å; Y303-K321 HydrophobicContact CD1-CD 4.11Å; Y303-K321 HydrophobicContact CD2-CB 3.92Å; Y303-K321 HydrophobicContact CD2-CD 4.08Å; Y303-K321 HydrophobicContact CD2-CG 3.68Å; Y303-K321 HydrophobicContact CE1-CD 4.12Å; Y303-K321 HydrophobicContact CE2-CD 4.12Å; Y303-K321 HydrophobicContact CE2-CG 3.96Å; Y303-K321 HydrophobicContact CG-CB 3.92Å; Y303-K321 HydrophobicContact CG-CD 4.09Å; Y303-K321 HydrophobicContact CG-CG 4.01Å; W304-K321 CarbonylContact O-C 3.58Å; W304-K321 VanDerWaalsContact O-CA 3.28Å; W304-K321 WeakPolarHBondContact O-CA 3.15Å |
| 322 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 137.2 | 176.6 | -67.9 | -169.9 | 58 | 0 | 0 | 110.3 | I260 Y303 W304 V306 I320 R324 C330 I332 | I260-M322 HydrophobicContact CB-CE 4.27Å; I260-M322 HydrophobicContact CD1-CE 4.28Å; I260-M322 HydrophobicContact CD1-SD 3.84Å; I260-M322 HydrophobicContact CG2-CE 3.74Å; I260-M322 HydrophobicContact CG2-SD 3.89Å; Y303-M322 CarbonylContact C-O 3.37Å; Y303-M322 WeakPolarHBondContact CA-O 3.32Å; Y303-M322 WeakPolarHBondContact CB-O 3.35Å; W304-M322 HydrophobicContact CB-CB 4.34Å; W304-M322 PolarHBondContact N-O 3.32Å; W304-M322 PolarHBondContact O-N 3.04Å; V306-M322 HydrophobicContact CG2-CB 4.49Å; V306-M322 HydrophobicContact CG2-CG 4.16Å; V306-M322 HydrophobicContact CG2-SD 4.17Å; I320-M322 HydrophobicContact CD1-CG 4.17Å; I320-M322 HydrophobicContact CG1-CG 4Å; I320-M322 HydrophobicContact CG2-CG 4.16Å; M322-R324 PolarHBondContact O-N 2.88Å; M322-C330 HydrophobicContact CE-CB 3.78Å; M322-I332 HydrophobicContact CB-CD1 4.09Å; M322-I332 HydrophobicContact CE-CB 4.3Å; M322-I332 HydrophobicContact CE-CD1 4.09Å; M322-I332 HydrophobicContact CG-CD1 4.45Å; M322-I332 HydrophobicContact SD-CD1 3.74Å; M322-I332 HydrophobicContact SD-CG1 4.49Å |
| 323 | L | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 132.8 | 179.6 | -174.1 | 65.6 | 0 | 0 | 0 | 111.2 | V274 Y275 N276 E301 K326 Q329 | V274-L323 HydrophobicContact CG1-CB 3.99Å; V274-L323 HydrophobicContact CG1-CD1 3.89Å; Y275-L323 WeakPolarHBondContact O-CB 3.47Å; Y275-L323 PolarHBondContact O-N 3.07Å; N276-L323 HydrophobicContact CB-CB 4.38Å; N276-L323 HydrophobicContact CB-CD2 3.96Å; N276-L323 VanDerWaalsContact CG-CD2 3.5Å; E301-L323 HydrophobicContact CB-CD1 4.4Å; L323-K326 HydrophobicContact CD2-CB 3.61Å; L323-K326 HydrophobicContact CD2-CD 4.45Å; L323-K326 HydrophobicContact CD2-CG 3.62Å; L323-K326 HydrophobicContact CG-CB 3.86Å; L323-K326 HydrophobicContact CG-CG 4.43Å; L323-Q329 HydrophobicContact CB-CG 4.42Å |
| 324 | R | 98.2 | Very high | 98 | Very high | 29 Ų | 29 | 38 Ų | 38 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | trans | -115.1 | 154.5 | -178.7 | 177.6 | 172.2 | 73.9 | 105.5 | 6.6 | 110.4 | D302 W304 M322 K326 | D302-R324 HydrophobicContact CB-CB 4.1Å; D302-R324 VanDerWaalsContact CG-NH2 3.32Å; D302-R324 PolarHBondContact O-N 3.35Å; D302-R324 IonicContact OD1-NH2 3.95Å; D302-R324 PolarHBondContact OD1-NH2 3.24Å; D302-R324 IonicContact OD2-NH2 3.36Å; W304-R324 HydrophobicContact CD2-CB 4.34Å; W304-R324 HydrophobicContact CD2-CG 4.06Å; W304-R324 VanDerWaalsContact CE2-CG 3.4Å; W304-R324 HydrophobicContact CG-CB 4.15Å; W304-R324 HydrophobicContact CG-CG 4.39Å; W304-R324 HydrophobicContact CH2-CG 4.43Å; W304-R324 HydrophobicContact CZ2-CG 3.62Å; M322-R324 PolarHBondContact O-N 2.88Å; R324-K326 VanDerWaalsContact C-N 3.28Å; R324-K326 PolarHBondContact O-N 3.47Å | ||
| 325 | N | 96.6 | Very high | 97.9 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 47% | 0.465 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 61.9 | 34.4 | -179.8 | -57.1 | -39.1 | 0 | 0 | 0 | 112.8 | E243 D302 | E243-N325 PolarHBondContact OE1-N 2.91Å; E243-N325 WeakPolarHBondContact OE2-CA 3.38Å; E243-N325 PolarHBondContact OE2-N 3.42Å; D302-N325 PolarHBondContact OD2-ND2 3.37Å |
| 326 | K | 95.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 38 Ų | 38 | 51% | 0.513 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -128.3 | 61.4 | -179.8 | -167.6 | 68.1 | 177.4 | 169.8 | 0 | 110.8 | E243 L323 R324 N328 Q329 | E243-K326 PolarHBondContact OE2-N 3.43Å; L323-K326 HydrophobicContact CD2-CB 3.61Å; L323-K326 HydrophobicContact CD2-CD 4.45Å; L323-K326 HydrophobicContact CD2-CG 3.62Å; L323-K326 HydrophobicContact CG-CB 3.86Å; L323-K326 HydrophobicContact CG-CG 4.43Å; R324-K326 VanDerWaalsContact C-N 3.28Å; R324-K326 PolarHBondContact O-N 3.47Å; K326-N328 VanDerWaalsContact C-N 3.3Å; K326-N328 PolarHBondContact O-N 3.36Å; K326-Q329 HydrophobicContact CB-CB 4.43Å; K326-Q329 PolarHBondContact O-N 3.19Å |
| 327 | E | 95.4 | Very high | 98 | Very high | 181 Ų | 181 | 34.4 Ų | 34.4 | 85% | 0.846 | 16% | 0.161 | S | C | * | . | S | Bend | trans | 55.4 | 43.4 | 175.9 | -60.7 | 171.8 | -144 | 0 | 0 | 112.4 | ||
| 328 | N | 97.3 | Very high | 98 | Very high | 17 Ų | 17 | 28 Ų | 28 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 57.9 | 53.4 | 179.6 | -173.1 | 30.6 | 0 | 0 | 0 | 112.5 | E243 K326 C330 G331 I332 A333 S334 | E243-N328 PolarHBondContact OE2-N 2.97Å; K326-N328 VanDerWaalsContact C-N 3.3Å; K326-N328 PolarHBondContact O-N 3.36Å; N328-C330 PolarHBondContact O-N 3.46Å; N328-G331 VanDerWaalsContact O-CA 3.31Å; N328-G331 WeakPolarHBondContact O-CA 3.28Å; N328-G331 PolarHBondContact O-N 2.95Å; N328-G331 WeakPolarHBondContact OD1-CA 3.31Å; N328-I332 PolarHBondContact OD1-N 3Å; N328-A333 WeakPolarHBondContact OD1-CA 3.45Å; N328-A333 WeakPolarHBondContact OD1-CB 3.33Å; N328-A333 PolarHBondContact OD1-N 2.94Å; N328-S334 PolarHBondContact ND2-OG 3.34Å |
| 329 | Q | 97.8 | Very high | 98 | Very high | 14 Ų | 14 | 28 Ų | 28 | 7% | 0.065 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -52.2 | 131.4 | -177.8 | -162.5 | -84.6 | -24.3 | 0 | 0 | 111.8 | E277 L323 K326 G331 I332 | E277-Q329 PolarHBondContact O-NE2 3.48Å; E277-Q329 VanDerWaalsContact O-NE2 3.15Å; L323-Q329 HydrophobicContact CB-CG 4.42Å; K326-Q329 HydrophobicContact CB-CB 4.43Å; K326-Q329 PolarHBondContact O-N 3.19Å; Q329-G331 PolarHBondContact O-N 3.39Å; Q329-I332 PolarHBondContact O-N 3.06Å |
| 330 | C | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | 51.5 | 19.4 | -169.9 | -53.5 | 0 | 0 | 0 | 0 | 115.5 | I260 D261 C280 L285 M322 N328 I332 | I260-C330 WeakPolarHBondContact CA-O 3.19Å; I260-C330 HydrophobicContact CB-CB 4.46Å; D261-C330 HydrophobicContact CB-CB 4.28Å; D261-C330 PolarHBondContact N-O 3.14Å; C280-C330 HydrophobicContact CB-CB 3.8Å; C280-C330 WeakPolarHBondContact CB-SG 3.43Å; C280-C330 WeakPolarHBondContact SG-CB 3.5Å; C280-C330 CovalentContact SG-SG 2.04Å; C280-C330 PolarHBondContact SG-SG 3.11Å; L285-C330 WeakPolarHBondContact CD2-O 3.07Å; M322-C330 HydrophobicContact CE-CB 3.78Å; N328-C330 PolarHBondContact O-N 3.46Å; C330-I332 VanDerWaalsContact C-N 3.27Å; C330-I332 PolarHBondContact O-N 3.32Å |
| 331 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | 67.1 | 22.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N328 Q329 A333 S334 | N328-G331 VanDerWaalsContact O-CA 3.31Å; N328-G331 WeakPolarHBondContact O-CA 3.28Å; N328-G331 PolarHBondContact O-N 2.95Å; N328-G331 WeakPolarHBondContact OD1-CA 3.31Å; Q329-G331 PolarHBondContact O-N 3.39Å; G331-A333 PolarHBondContact O-N 3.43Å; G331-A333 VanDerWaalsContact O-N 3.08Å; G331-S334 WeakPolarHBondContact O-CB 3.32Å; G331-S334 PolarHBondContact O-N 2.97Å; G331-S334 PolarHBondContact O-OG 3.41Å |
| 332 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30 | -172.8 | -166 | 174.3 | 0 | 0 | 0 | 114.8 | M246 V258 I260 V291 W304 V306 M322 N328 Q329 C330 | M246-I332 HydrophobicContact CE-CG1 4.31Å; M246-I332 HydrophobicContact CE-CG2 4.18Å; V258-I332 HydrophobicContact CB-CG1 4.38Å; V258-I332 WeakPolarHBondContact CB-O 3.42Å; V258-I332 WeakPolarHBondContact CG1-O 3.33Å; V258-I332 HydrophobicContact CG2-CG1 3.88Å; I260-I332 HydrophobicContact CG2-CB 3.84Å; I260-I332 HydrophobicContact CG2-CD1 4.4Å; I260-I332 HydrophobicContact CG2-CG1 3.72Å; V291-I332 HydrophobicContact CG2-CD1 4.14Å; V291-I332 HydrophobicContact CG2-CG1 4.43Å; W304-I332 HydrophobicContact CB-CD1 3.79Å; W304-I332 HydrophobicContact CG-CD1 3.74Å; V306-I332 HydrophobicContact CG2-CD1 3.95Å; M322-I332 HydrophobicContact CB-CD1 4.09Å; M322-I332 HydrophobicContact CE-CB 4.3Å; M322-I332 HydrophobicContact CE-CD1 4.09Å; M322-I332 HydrophobicContact CG-CD1 4.45Å; M322-I332 HydrophobicContact SD-CD1 3.74Å; M322-I332 HydrophobicContact SD-CG1 4.49Å; N328-I332 PolarHBondContact OD1-N 3Å; Q329-I332 PolarHBondContact O-N 3.06Å; C330-I332 VanDerWaalsContact C-N 3.27Å; C330-I332 PolarHBondContact O-N 3.32Å |
| 333 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G241 E243 M246 N328 G331 S336 | G241-A333 PolarHBondContact N-O 3.29Å; E243-A333 HydrophobicContact CG-CB 4Å; M246-A333 HydrophobicContact CE-CB 4.05Å; M246-A333 HydrophobicContact SD-CB 4.04Å; N328-A333 WeakPolarHBondContact OD1-CA 3.45Å; N328-A333 WeakPolarHBondContact OD1-CB 3.33Å; N328-A333 PolarHBondContact OD1-N 2.94Å; G331-A333 PolarHBondContact O-N 3.43Å; G331-A333 VanDerWaalsContact O-N 3.08Å; A333-S336 PolarHBondContact O-OG 2.91Å |
| 334 | S | 97.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -30.5 | -173.8 | -70.7 | 0 | 0 | 0 | 0 | 114.2 | Q240 N328 G331 | Q240-S334 WeakPolarHBondContact CG-O 3.38Å; N328-S334 PolarHBondContact ND2-OG 3.34Å; G331-S334 WeakPolarHBondContact O-CB 3.32Å; G331-S334 PolarHBondContact O-N 2.97Å; G331-S334 PolarHBondContact O-OG 3.41Å |
| 335 | A | 97.7 | Very high | 97.5 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 7% | 0.074 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138 | 68.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F96 V258 A259 L285 | F96-A335 HydrophobicContact CZ-CB 4.03Å; V258-A335 WeakPolarHBondContact CA-O 3.42Å; A259-A335 HydrophobicContact CB-CB 4.08Å; A259-A335 PolarHBondContact N-O 3.42Å; L285-A335 HydrophobicContact CD1-CB 4.17Å |
| 336 | S | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | -107.9 | 122.7 | -175.9 | 51.2 | 0 | 0 | 0 | 0 | 111 | I238 S257 A333 | I238-S336 WeakPolarHBondContact CB-OG 3.45Å; I238-S336 PolarHBondContact N-O 3.46Å; S257-S336 WeakPolarHBondContact O-CA 3.42Å; A333-S336 PolarHBondContact O-OG 2.91Å | ||
| 337 | S | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 160.7 | -178 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | D194 T236 V256 S257 | D194-S337 WeakPolarHBondContact OD1-CB 3.46Å; D194-S337 PolarHBondContact OD1-OG 2.85Å; T236-S337 CarbonylContact O-C 3.52Å; T236-S337 WeakPolarHBondContact O-CA 3.26Å; T236-S337 VanDerWaalsContact O-CB 3.28Å; T236-S337 WeakPolarHBondContact O-CB 3.4Å; V256-S337 WeakPolarHBondContact CG1-O 3.4Å; S257-S337 WeakPolarHBondContact CB-O 3.08Å; S257-S337 PolarHBondContact N-O 3.37Å; S257-S337 PolarHBondContact O-N 3.46Å |
| 338 | Y | 98.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 13 Ų | 13 | 8% | 0.075 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.3 | 173.6 | 62 | -99.1 | 0 | 0 | 0 | 111.5 | F116 F235 T236 I238 A249 V253 V256 L340 | F116-Y338 HydrophobicContact CD2-CE1 4.06Å; F116-Y338 WeakPolarHBondContact CD2-OH 3.37Å; F235-Y338 CarbonylContact C-O 3.52Å; F235-Y338 VanDerWaalsContact CA-O 3.25Å; F235-Y338 WeakPolarHBondContact CA-O 3.33Å; F235-Y338 WeakPolarHBondContact CB-O 3.37Å; T236-Y338 HydrophobicContact CG2-CE1 3.86Å; T236-Y338 HydrophobicContact CG2-CE2 4.27Å; T236-Y338 WeakPolarHBondContact CG2-OH 3.29Å; T236-Y338 PolarHBondContact N-O 3.42Å; T236-Y338 PolarHBondContact O-N 2.8Å; T236-Y338 WeakPolarHBondContact OG1-CE2 3.47Å; I238-Y338 HydrophobicContact CD1-CD1 4.27Å; I238-Y338 HydrophobicContact CG1-CE1 4.42Å; A249-Y338 HydrophobicContact CB-CE1 4.11Å; V253-Y338 HydrophobicContact CB-CE1 4.5Å; V253-Y338 HydrophobicContact CG1-CD2 3.82Å; V253-Y338 HydrophobicContact CG1-CE1 4.3Å; V253-Y338 HydrophobicContact CG1-CE2 3.58Å; V253-Y338 HydrophobicContact CG1-CG 4.3Å; V253-Y338 HydrophobicContact CG2-CE1 4.29Å; V256-Y338 HydrophobicContact CG2-CD1 4.27Å; Y338-L340 HydrophobicContact CE2-CD2 3.96Å |
| 339 | P | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 155.6 | 178.5 | 27.7 | -30.8 | 0 | 0 | 0 | 112.3 | A156 L157 Q160 F197 D232 G234 | A156-P339 HydrophobicContact CB-CG 4.23Å; L157-P339 VanDerWaalsContact CA-CG 3.46Å; L157-P339 HydrophobicContact CB-CG 3.83Å; L157-P339 HydrophobicContact CD1-CB 3.98Å; L157-P339 HydrophobicContact CD1-CG 3.94Å; Q160-P339 HydrophobicContact CB-CG 4.38Å; Q160-P339 HydrophobicContact CG-CG 3.93Å; Q160-P339 WeakPolarHBondContact CG-O 3.38Å; F197-P339 HydrophobicContact CD1-CB 3.76Å; F197-P339 HydrophobicContact CD1-CG 4.17Å; F197-P339 HydrophobicContact CE1-CB 3.89Å; F197-P339 HydrophobicContact CE1-CG 3.78Å; F197-P339 HydrophobicContact CG-CB 4.2Å; F197-P339 HydrophobicContact CZ-CB 4.45Å; F197-P339 HydrophobicContact CZ-CG 4.22Å; D232-P339 WeakPolarHBondContact OD2-CB 3.19Å; G234-P339 CarbonylContact O-C 3.48Å |
| 340 | L | 98.2 | Very high | 98 | Very high | 59 Ų | 59 | 12.6 Ų | 12.6 | 31% | 0.309 | 7% | 0.072 | S | C | . | . | trans | -105.1 | 125.4 | 175.1 | -63.9 | 174.3 | 0 | 0 | 0 | 109.1 | V114 D232 R233 G234 T236 Y338 | V114-L340 HydrophobicContact CG2-CD1 3.93Å; D232-L340 CarbonylContact C-O 3.43Å; R233-L340 HydrophobicContact CB-CB 4.48Å; R233-L340 PolarHBondContact N-O 3.37Å; G234-L340 WeakPolarHBondContact O-CB 3.35Å; G234-L340 PolarHBondContact O-N 3.49Å; T236-L340 WeakPolarHBondContact OG1-CD2 3.31Å; Y338-L340 HydrophobicContact CE2-CD2 3.96Å | ||
| 341 | V | 94.1 | Very high | 98 | Very high | 49 Ų | 49 | 13.5 Ų | 13.5 | 30% | 0.297 | 8% | 0.076 | S | C | . | . | trans | -112.5 | 0 | -174.4 | -65.5 | 0 | 0 | 0 | 0 | 115 | L157 Q160 K164 | L157-V341 HydrophobicContact CD1-CG1 3.46Å; L157-V341 VanDerWaalsContact CD1-CG1 3.46Å; Q160-V341 HydrophobicContact CB-CG1 3.81Å; Q160-V341 HydrophobicContact CB-CG2 3.98Å; Q160-V341 WeakPolarHBondContact O-CG2 3.49Å; K164-V341 HydrophobicContact CB-CG2 3.83Å; K164-V341 HydrophobicContact CD-CB 4.06Å; K164-V341 HydrophobicContact CD-CG2 3.82Å; K164-V341 HydrophobicContact CG-CG2 4.45Å; K164-V341 PolarHBondContact NZ-OXT 3.45Å |
Retrieved 341 of 341 residues in 201.6 ms
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