| 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 | 51.5 | Low | 58.2 | Low | 235 Ų | 235 | 145.7 Ų | 145.7 | 100% | 1.158 | 71% | 0.713 | S | S | * | * | 0 | 33.5 | 0 | -148.5 | 177.2 | 174.4 | 0 | 0 | 113 | |||||
| 2 | M | 52.1 | Low | 59.5 | Low | 167 Ų | 167 | 140.4 Ų | 140.4 | 82% | 0.823 | 69% | 0.688 | S | S | * | * | trans | -119.2 | -10.1 | -174.3 | -117.2 | 166 | 73.2 | 0 | 0 | 114.6 | ||||
| 3 | M | 51.8 | Low | 60.7 | Low | 177 Ų | 177 | 135.1 Ų | 135.1 | 87% | 0.872 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -88.6 | -25.6 | 178.2 | -77.1 | 173.7 | 76.6 | 0 | 0 | 113.9 | ||
| 4 | V | 55.2 | Low | 62.1 | Low | 121 Ų | 121 | 138.3 Ų | 138.3 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.4 | -28.8 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | L8 | V4-L8 PolarHBondContact O-N 3.28Å |
| 5 | R | 55.4 | Low | 63.6 | Low | 203 Ų | 203 | 132.7 Ų | 132.7 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.6 | -31.1 | 179.9 | -98.7 | -177.7 | 171.4 | -175.7 | -2.3 | 114.1 | L9 | R5-L9 PolarHBondContact O-N 2.9Å |
| 6 | R | 55 | Low | 64.9 | Low | 211 Ų | 211 | 129.3 Ų | 129.3 | 80% | 0.796 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.1 | -35.5 | 179.7 | -80 | -177.9 | 169.3 | 177.9 | -2.9 | 112.6 | A10 | R6-A10 WeakPolarHBondContact O-CB 3.36Å; R6-A10 PolarHBondContact O-N 3.04Å; R6-A10 VanDerWaalsContact O-N 3.14Å |
| 7 | G | 57.6 | Low | 66.1 | Low | 46 Ų | 46 | 126.2 Ų | 126.2 | 47% | 0.474 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.7 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A10 W11 | G7-A10 PolarHBondContact O-N 2.99Å; G7-W11 WeakPolarHBondContact O-CB 3.49Å; G7-W11 PolarHBondContact O-N 3.16Å |
| 8 | L | 62.1 | Low | 67.4 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 56% | 0.555 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68 | -41.6 | 179.1 | -142.9 | 90.8 | 0 | 0 | 0 | 112.3 | V4 W11 I12 | V4-L8 PolarHBondContact O-N 3.28Å; L8-W11 PolarHBondContact O-N 3.39Å; L8-I12 HydrophobicContact CD2-CD1 4.22Å; L8-I12 HydrophobicContact CG-CD1 4.4Å; L8-I12 WeakPolarHBondContact O-CB 3.23Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.48Å; L8-I12 PolarHBondContact O-N 2.84Å |
| 9 | L | 60.2 | Low | 68.4 | Low | 121 Ų | 121 | 124.4 Ų | 124.4 | 63% | 0.634 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.1 | -39.5 | 175.9 | -88.3 | 155.9 | 0 | 0 | 0 | 112.2 | R5 W11 S13 | R5-L9 PolarHBondContact O-N 2.9Å; L9-W11 VanDerWaalsContact C-N 3.34Å; L9-S13 VanDerWaalsContact O-CB 3.24Å; L9-S13 WeakPolarHBondContact O-CB 3.41Å; L9-S13 PolarHBondContact O-N 3.13Å |
| 10 | A | 65.3 | Low | 69.4 | Low | 47 Ų | 47 | 122.3 Ų | 122.3 | 39% | 0.388 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.2 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | R6 G7 R14 | R6-A10 WeakPolarHBondContact O-CB 3.36Å; R6-A10 PolarHBondContact O-N 3.04Å; R6-A10 VanDerWaalsContact O-N 3.14Å; G7-A10 PolarHBondContact O-N 2.99Å; A10-R14 VanDerWaalsContact O-CG 3.3Å; A10-R14 WeakPolarHBondContact O-CG 3.37Å; A10-R14 PolarHBondContact O-N 3.37Å; A10-R14 VanDerWaalsContact O-N 3.07Å |
| 11 | W | 73.5 | Confident | 70.2 | Confident | 169 Ų | 169 | 121.6 Ų | 121.6 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.1 | -45.7 | 176.9 | -171 | 78.2 | 0 | 0 | 0 | 112 | G7 L8 L9 S13 R14 V15 | G7-W11 WeakPolarHBondContact O-CB 3.49Å; G7-W11 PolarHBondContact O-N 3.16Å; L8-W11 PolarHBondContact O-N 3.39Å; L9-W11 VanDerWaalsContact C-N 3.34Å; W11-S13 VanDerWaalsContact C-N 3.32Å; W11-S13 PolarHBondContact O-N 3.31Å; W11-R14 PolarHBondContact O-N 3.19Å; W11-V15 HydrophobicContact CD2-CG2 4.24Å; W11-V15 HydrophobicContact CE3-CG2 4.43Å; W11-V15 HydrophobicContact CH2-CG2 4.44Å; W11-V15 HydrophobicContact CZ2-CG2 4.24Å; W11-V15 WeakPolarHBondContact O-CG2 3.48Å; W11-V15 PolarHBondContact O-N 3.44Å |
| 12 | I | 74.4 | Confident | 72.1 | Confident | 82 Ų | 82 | 115.4 Ų | 115.4 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.2 | -42.3 | 174.8 | -67.1 | 164.9 | 0 | 0 | 0 | 110.4 | L8 R14 V15 V16 | L8-I12 HydrophobicContact CD2-CD1 4.22Å; L8-I12 HydrophobicContact CG-CD1 4.4Å; L8-I12 WeakPolarHBondContact O-CB 3.23Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.48Å; L8-I12 PolarHBondContact O-N 2.84Å; I12-R14 VanDerWaalsContact C-N 3.35Å; I12-R14 PolarHBondContact O-N 3.47Å; I12-V15 PolarHBondContact O-N 2.94Å; I12-V16 HydrophobicContact CG2-CG2 4.27Å; I12-V16 WeakPolarHBondContact O-CB 3.13Å; I12-V16 VanDerWaalsContact O-CG2 3.26Å; I12-V16 WeakPolarHBondContact O-CG2 3.26Å; I12-V16 PolarHBondContact O-N 3.1Å |
| 13 | S | 75.1 | Confident | 73.5 | Confident | 71 Ų | 71 | 111 Ų | 111 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.7 | -43.2 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | L9 W11 V16 V17 | L9-S13 VanDerWaalsContact O-CB 3.24Å; L9-S13 WeakPolarHBondContact O-CB 3.41Å; L9-S13 PolarHBondContact O-N 3.13Å; W11-S13 VanDerWaalsContact C-N 3.32Å; W11-S13 PolarHBondContact O-N 3.31Å; S13-V16 PolarHBondContact O-N 2.85Å; S13-V17 WeakPolarHBondContact O-CB 3.31Å; S13-V17 VanDerWaalsContact O-CG2 3.25Å; S13-V17 WeakPolarHBondContact O-CG2 3.37Å; S13-V17 PolarHBondContact O-N 3.24Å |
| 14 | R | 79.9 | Confident | 75 | Confident | 180 Ų | 180 | 105.8 Ų | 105.8 | 68% | 0.679 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -39.4 | 176.2 | -72.5 | 176.2 | -171.9 | -163.9 | 2.5 | 112.9 | A10 W11 I12 V17 L18 | A10-R14 VanDerWaalsContact O-CG 3.3Å; A10-R14 WeakPolarHBondContact O-CG 3.37Å; A10-R14 PolarHBondContact O-N 3.37Å; A10-R14 VanDerWaalsContact O-N 3.07Å; W11-R14 PolarHBondContact O-N 3.19Å; I12-R14 VanDerWaalsContact C-N 3.35Å; I12-R14 PolarHBondContact O-N 3.47Å; R14-V17 PolarHBondContact O-N 2.8Å; R14-L18 WeakPolarHBondContact O-CB 3.42Å; R14-L18 WeakPolarHBondContact O-CG 3.48Å; R14-L18 PolarHBondContact O-N 2.69Å |
| 15 | V | 84 | Confident | 76.4 | Confident | 55 Ų | 55 | 102.4 Ų | 102.4 | 33% | 0.333 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111 | W11 I12 L18 L19 | W11-V15 HydrophobicContact CD2-CG2 4.24Å; W11-V15 HydrophobicContact CE3-CG2 4.43Å; W11-V15 HydrophobicContact CH2-CG2 4.44Å; W11-V15 HydrophobicContact CZ2-CG2 4.24Å; W11-V15 WeakPolarHBondContact O-CG2 3.48Å; W11-V15 PolarHBondContact O-N 3.44Å; I12-V15 PolarHBondContact O-N 2.94Å; V15-L18 PolarHBondContact O-N 3.11Å; V15-L19 HydrophobicContact CG1-CD1 4.07Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 3.48Å |
| 16 | V | 84.4 | Confident | 77.8 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | I12 S13 L18 L19 V20 | I12-V16 HydrophobicContact CG2-CG2 4.27Å; I12-V16 WeakPolarHBondContact O-CB 3.13Å; I12-V16 VanDerWaalsContact O-CG2 3.26Å; I12-V16 WeakPolarHBondContact O-CG2 3.26Å; I12-V16 PolarHBondContact O-N 3.1Å; S13-V16 PolarHBondContact O-N 2.85Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.15Å; V16-L19 PolarHBondContact O-N 3.46Å; V16-V20 HydrophobicContact CG1-CG2 4.44Å; V16-V20 VanDerWaalsContact O-CG2 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.23Å; V16-V20 PolarHBondContact O-N 2.96Å |
| 17 | V | 86.6 | Confident | 78.7 | Confident | 78 Ų | 78 | 90.6 Ų | 90.6 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | S13 R14 V20 L21 | S13-V17 WeakPolarHBondContact O-CB 3.31Å; S13-V17 VanDerWaalsContact O-CG2 3.25Å; S13-V17 WeakPolarHBondContact O-CG2 3.37Å; S13-V17 PolarHBondContact O-N 3.24Å; R14-V17 PolarHBondContact O-N 2.8Å; V17-V20 PolarHBondContact O-N 3.46Å; V17-L21 HydrophobicContact CG1-CD1 4.05Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 WeakPolarHBondContact O-CG 3.2Å; V17-L21 PolarHBondContact O-N 3.01Å |
| 18 | L | 88.2 | Confident | 79.7 | Confident | 118 Ų | 118 | 92.5 Ų | 92.5 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 175.4 | -82.7 | 162.4 | 0 | 0 | 0 | 112.4 | R14 V15 V16 L21 L22 | R14-L18 WeakPolarHBondContact O-CB 3.42Å; R14-L18 WeakPolarHBondContact O-CG 3.48Å; R14-L18 PolarHBondContact O-N 2.69Å; V15-L18 PolarHBondContact O-N 3.11Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 2.87Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 PolarHBondContact O-N 3.45Å |
| 19 | L | 86.8 | Confident | 80.5 | Confident | 100 Ų | 100 | 93 Ų | 93 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.9 | -86.1 | 161.1 | 0 | 0 | 0 | 112.4 | V15 V16 L22 C23 | V15-L19 HydrophobicContact CG1-CD1 4.07Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 3.48Å; V16-L19 PolarHBondContact O-N 3.46Å; L19-L22 PolarHBondContact O-N 3Å; L19-C23 WeakPolarHBondContact O-CB 3.45Å; L19-C23 PolarHBondContact O-N 2.85Å; L19-C23 PolarHBondContact O-SG 2.89Å |
| 20 | V | 87.9 | Confident | 81.3 | Confident | 82 Ų | 82 | 94.7 Ų | 94.7 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | V16 V17 L22 C23 C24 | V16-V20 HydrophobicContact CG1-CG2 4.44Å; V16-V20 VanDerWaalsContact O-CG2 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.23Å; V16-V20 PolarHBondContact O-N 2.96Å; V17-V20 PolarHBondContact O-N 3.46Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.83Å; V20-C23 PolarHBondContact O-N 3.3Å; V20-C24 WeakPolarHBondContact O-CB 3.36Å; V20-C24 PolarHBondContact O-N 3.26Å; V20-C24 PolarHBondContact O-SG 2.77Å |
| 21 | L | 87.9 | Confident | 81.7 | Confident | 108 Ų | 108 | 98.1 Ų | 98.1 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -39.7 | 176 | -73.5 | 170.4 | 0 | 0 | 0 | 112 | V17 L18 C24 A25 | V17-L21 HydrophobicContact CG1-CD1 4.05Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 WeakPolarHBondContact O-CG 3.2Å; V17-L21 PolarHBondContact O-N 3.01Å; L18-L21 PolarHBondContact O-N 2.87Å; L21-C24 PolarHBondContact O-N 3.2Å; L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 2.97Å |
| 22 | L | 89.8 | Confident | 81.5 | Confident | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 174.9 | -162.1 | 88.2 | 0 | 0 | 0 | 111.3 | L18 L19 V20 C24 A25 I26 | L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 3Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.83Å; L22-C24 VanDerWaalsContact C-N 3.34Å; L22-C24 PolarHBondContact O-N 2.9Å; L22-A25 PolarHBondContact O-N 2.78Å; L22-I26 HydrophobicContact CD2-CD1 4.21Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CB 3.46Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.5Å; L22-I26 PolarHBondContact O-N 2.89Å |
| 23 | C | 81.8 | Confident | 81.3 | Confident | 73 Ų | 73 | 96 Ų | 96 | 49% | 0.493 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.7 | -74.3 | 0 | 0 | 0 | 0 | 112.2 | L19 V20 S27 | L19-C23 WeakPolarHBondContact O-CB 3.45Å; L19-C23 PolarHBondContact O-N 2.85Å; L19-C23 PolarHBondContact O-SG 2.89Å; V20-C23 PolarHBondContact O-N 3.3Å; C23-S27 VanDerWaalsContact O-CB 3.31Å; C23-S27 WeakPolarHBondContact O-CB 3.39Å; C23-S27 PolarHBondContact O-N 3.39Å; C23-S27 PolarHBondContact O-OG 2.76Å |
| 24 | C | 83.2 | Confident | 80.3 | Confident | 68 Ų | 68 | 95.9 Ų | 95.9 | 46% | 0.459 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 174.1 | -70.9 | 0 | 0 | 0 | 0 | 111.1 | V20 L21 L22 S27 V28 | V20-C24 WeakPolarHBondContact O-CB 3.36Å; V20-C24 PolarHBondContact O-N 3.26Å; V20-C24 PolarHBondContact O-SG 2.77Å; L21-C24 PolarHBondContact O-N 3.2Å; L22-C24 VanDerWaalsContact C-N 3.34Å; L22-C24 PolarHBondContact O-N 2.9Å; C24-S27 PolarHBondContact O-N 3.42Å; C24-V28 VanDerWaalsContact O-CG2 3.3Å; C24-V28 WeakPolarHBondContact O-CG2 3.1Å; C24-V28 PolarHBondContact O-N 2.85Å |
| 25 | A | 85.4 | Confident | 78.8 | Confident | 50 Ų | 50 | 91 Ų | 91 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L21 L22 S27 V28 L29 | L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 2.97Å; L22-A25 PolarHBondContact O-N 2.78Å; A25-S27 VanDerWaalsContact C-N 3.34Å; A25-V28 PolarHBondContact O-N 2.87Å; A25-L29 WeakPolarHBondContact O-CB 3.33Å; A25-L29 WeakPolarHBondContact O-CG 3.42Å; A25-L29 PolarHBondContact O-N 2.7Å |
| 26 | I | 84.8 | Confident | 76.9 | Confident | 99 Ų | 99 | 93.9 Ų | 93.9 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.1 | -67.3 | 166.4 | 0 | 0 | 0 | 110.8 | L22 L29 Y30 | L22-I26 HydrophobicContact CD2-CD1 4.21Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CB 3.46Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.5Å; L22-I26 PolarHBondContact O-N 2.89Å; I26-L29 PolarHBondContact O-N 2.95Å; I26-Y30 VanDerWaalsContact O-CB 3.3Å; I26-Y30 WeakPolarHBondContact O-CB 3.25Å; I26-Y30 PolarHBondContact O-N 3.22Å |
| 27 | S | 74.2 | Confident | 74.9 | Confident | 68 Ų | 68 | 99.5 Ų | 99.5 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68 | -37.6 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | C23 C24 A25 Y30 M31 | C23-S27 VanDerWaalsContact O-CB 3.31Å; C23-S27 WeakPolarHBondContact O-CB 3.39Å; C23-S27 PolarHBondContact O-N 3.39Å; C23-S27 PolarHBondContact O-OG 2.76Å; C24-S27 PolarHBondContact O-N 3.42Å; A25-S27 VanDerWaalsContact C-N 3.34Å; S27-Y30 PolarHBondContact O-N 2.83Å; S27-M31 WeakPolarHBondContact O-CB 3.07Å; S27-M31 VanDerWaalsContact O-CG 3.25Å; S27-M31 WeakPolarHBondContact O-CG 3.06Å; S27-M31 PolarHBondContact O-N 2.8Å |
| 28 | V | 79 | Confident | 72.5 | Confident | 86 Ų | 86 | 99 Ų | 99 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.7 | -42.2 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | C24 A25 Y30 M31 L32 | C24-V28 VanDerWaalsContact O-CG2 3.3Å; C24-V28 WeakPolarHBondContact O-CG2 3.1Å; C24-V28 PolarHBondContact O-N 2.85Å; A25-V28 PolarHBondContact O-N 2.87Å; V28-Y30 VanDerWaalsContact C-N 3.34Å; V28-Y30 PolarHBondContact O-N 2.73Å; V28-M31 PolarHBondContact O-N 3.18Å; V28-L32 HydrophobicContact CG1-CD1 3.92Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.41Å; V28-L32 PolarHBondContact O-N 3.35Å |
| 29 | L | 77.9 | Confident | 70 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.2 | -38.6 | 174 | -76.3 | 167 | 0 | 0 | 0 | 112.1 | A25 I26 L32 A33 | A25-L29 WeakPolarHBondContact O-CB 3.33Å; A25-L29 WeakPolarHBondContact O-CG 3.42Å; A25-L29 PolarHBondContact O-N 2.7Å; I26-L29 PolarHBondContact O-N 2.95Å; L29-L32 PolarHBondContact O-N 2.73Å; L29-A33 VanDerWaalsContact O-CB 3.27Å; L29-A33 WeakPolarHBondContact O-CB 3.28Å; L29-A33 PolarHBondContact O-N 3.48Å |
| 30 | Y | 77.3 | Confident | 67.8 | Low | 157 Ų | 157 | 103.2 Ų | 103.2 | 62% | 0.616 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.5 | -42.3 | 173.4 | -176.2 | -95.1 | 0 | 0 | 0 | 111.4 | I26 S27 V28 A33 C34 | I26-Y30 VanDerWaalsContact O-CB 3.3Å; I26-Y30 WeakPolarHBondContact O-CB 3.25Å; I26-Y30 PolarHBondContact O-N 3.22Å; S27-Y30 PolarHBondContact O-N 2.83Å; V28-Y30 VanDerWaalsContact C-N 3.34Å; V28-Y30 PolarHBondContact O-N 2.73Å; Y30-A33 PolarHBondContact O-N 3.44Å; Y30-C34 HydrophobicContact CE1-CB 4.3Å; Y30-C34 WeakPolarHBondContact O-CB 3.2Å; Y30-C34 PolarHBondContact O-N 3.2Å; Y30-C34 PolarHBondContact O-SG 2.53Å; Y30-C34 VanDerWaalsContact O-SG 3.41Å |
| 31 | M | 72.9 | Confident | 65.3 | Low | 119 Ų | 119 | 106.9 Ų | 106.9 | 59% | 0.586 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.2 | -35 | 174 | -72.5 | -67.4 | -71.1 | 0 | 0 | 112.3 | S27 V28 T35 | S27-M31 WeakPolarHBondContact O-CB 3.07Å; S27-M31 VanDerWaalsContact O-CG 3.25Å; S27-M31 WeakPolarHBondContact O-CG 3.06Å; S27-M31 PolarHBondContact O-N 2.8Å; V28-M31 PolarHBondContact O-N 3.18Å; M31-T35 WeakPolarHBondContact O-CA 3.4Å; M31-T35 WeakPolarHBondContact O-CB 3.45Å; M31-T35 WeakPolarHBondContact O-CG2 3.26Å; M31-T35 PolarHBondContact O-N 3.28Å; M31-T35 PolarHBondContact O-OG1 3.42Å |
| 32 | L | 70.6 | Confident | 62.7 | Low | 123 Ų | 123 | 110.7 Ų | 110.7 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.8 | -30.2 | 175 | -71.7 | 168.4 | 0 | 0 | 0 | 112.7 | V28 L29 T35 | V28-L32 HydrophobicContact CG1-CD1 3.92Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.41Å; V28-L32 PolarHBondContact O-N 3.35Å; L29-L32 PolarHBondContact O-N 2.73Å; L32-T35 PolarHBondContact O-OG1 3.22Å |
| 33 | A | 69.1 | Low | 60 | Low | 82 Ų | 82 | 112.9 Ų | 112.9 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.1 | -25 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L29 Y30 | L29-A33 VanDerWaalsContact O-CB 3.27Å; L29-A33 WeakPolarHBondContact O-CB 3.28Å; L29-A33 PolarHBondContact O-N 3.48Å; Y30-A33 PolarHBondContact O-N 3.44Å |
| 34 | C | 54.2 | Low | 57.6 | Low | 70 Ų | 70 | 113.3 Ų | 113.3 | 47% | 0.473 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -114.1 | 8 | -177.6 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | Y30 | Y30-C34 HydrophobicContact CE1-CB 4.3Å; Y30-C34 WeakPolarHBondContact O-CB 3.2Å; Y30-C34 PolarHBondContact O-N 3.2Å; Y30-C34 PolarHBondContact O-SG 2.53Å; Y30-C34 VanDerWaalsContact O-SG 3.41Å |
| 35 | T | 49.9 | Very low | 55.2 | Low | 77 Ų | 77 | 117.7 Ų | 117.7 | 47% | 0.472 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -70.6 | 123.3 | 165.2 | 23.7 | 0 | 0 | 0 | 0 | 107 | M31 L32 K37 | M31-T35 WeakPolarHBondContact O-CA 3.4Å; M31-T35 WeakPolarHBondContact O-CB 3.45Å; M31-T35 WeakPolarHBondContact O-CG2 3.26Å; M31-T35 PolarHBondContact O-N 3.28Å; M31-T35 PolarHBondContact O-OG1 3.42Å; L32-T35 PolarHBondContact O-OG1 3.22Å; T35-K37 PolarHBondContact O-N 2.84Å |
| 36 | P | 43.2 | Very low | 52.8 | Low | 116 Ų | 116 | 121.4 Ų | 121.4 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -58.4 | 132.1 | 170.2 | -9 | 22.7 | 0 | 0 | 0 | 106.5 | G38 | P36-G38 PolarHBondContact O-N 3.3Š| ||
| 37 | K | 42.8 | Very low | 50.2 | Low | 194 Ų | 194 | 128.1 Ų | 128.1 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | trans | -54.1 | 111.5 | 159.4 | -79.2 | 179 | 174.2 | 177.6 | 0 | 105.5 | T35 D39 | T35-K37 PolarHBondContact O-N 2.84Å; K37-D39 PolarHBondContact O-N 3.42Å; K37-D39 VanDerWaalsContact O-N 3.17Å | ||
| 38 | G | 36.4 | Very low | 48.6 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | trans | -60.9 | 117.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106 | P36 D40 | P36-G38 PolarHBondContact O-N 3.3Å; G38-D40 VanDerWaalsContact C-N 3.29Å; G38-D40 PolarHBondContact O-N 2.86Å | ||
| 39 | D | 36.1 | Very low | 46.8 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | -62.4 | 97.5 | 165.5 | -68.5 | -36.4 | 0 | 0 | 0 | 106.8 | K37 E41 | K37-D39 PolarHBondContact O-N 3.42Å; K37-D39 VanDerWaalsContact O-N 3.17Å; D39-E41 PolarHBondContact O-N 3.32Å | ||
| 40 | D | 39.2 | Very low | 44.6 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | -70.6 | 68.1 | 154.6 | -95.3 | -27.2 | 0 | 0 | 0 | 107.7 | G38 | G38-D40 VanDerWaalsContact C-N 3.29Å; G38-D40 PolarHBondContact O-N 2.86Å | ||
| 41 | E | 36.5 | Very low | 43.1 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -107.2 | 86.7 | 147.8 | -87.5 | -164.4 | 120.1 | 0 | 0 | 106.9 | D39 L43 | D39-E41 PolarHBondContact O-N 3.32Å; E41-L43 PolarHBondContact O-N 2.95Å | ||
| 42 | Q | 32.5 | Very low | 42.1 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -58.6 | 88.1 | 150.5 | -88 | 178.8 | -24.4 | 0 | 0 | 107.9 | A44 | Q42-A44 PolarHBondContact O-N 3.34Š| ||
| 43 | L | 33.6 | Very low | 41.1 | Very low | 151 Ų | 151 | 127 Ų | 127 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -65 | 87 | 155.3 | -100.2 | 154.8 | 0 | 0 | 0 | 107 | E41 L45 | E41-L43 PolarHBondContact O-N 2.95Å; L43-L45 PolarHBondContact O-N 3.38Å; L43-L45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | A | 31.6 | Very low | 40.2 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -52.5 | 116.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q42 | Q42-A44 PolarHBondContact O-N 3.34Š| ||
| 45 | L | 31.8 | Very low | 40.2 | Very low | 161 Ų | 161 | 136 Ų | 136 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -44.7 | 127.2 | 163.2 | -82.6 | 153.2 | 0 | 0 | 0 | 108.8 | L43 R47 | L43-L45 PolarHBondContact O-N 3.38Å; L43-L45 VanDerWaalsContact O-N 3.11Å; L45-R47 VanDerWaalsContact C-N 3.34Å; L45-R47 PolarHBondContact O-N 3.4Å | ||
| 46 | P | 34.7 | Very low | 40.6 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -68.6 | 101.4 | 172.9 | -8.3 | 23 | 0 | 0 | 0 | 107.3 | A48 | P46-A48 PolarHBondContact O-N 2.7Å; P46-A48 VanDerWaalsContact O-N 3.17Å | ||
| 47 | R | 30.8 | Very low | 41.4 | Very low | 240 Ų | 240 | 137.4 Ų | 137.4 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | -58.3 | 117.7 | 162.7 | -154.9 | 175.7 | -162.8 | 166.5 | 3.7 | 106.1 | L45 N49 | L45-R47 VanDerWaalsContact C-N 3.34Å; L45-R47 PolarHBondContact O-N 3.4Å; R47-N49 PolarHBondContact O-N 3.12Å; R47-N49 VanDerWaalsContact O-N 3.09Å | ||
| 48 | A | 40.8 | Very low | 42.4 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -49.3 | 117.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | P46 | P46-A48 PolarHBondContact O-N 2.7Å; P46-A48 VanDerWaalsContact O-N 3.17Å |
| 49 | N | 40.2 | Very low | 44 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | 156.3 | 92.9 | 145 | -77.1 | -14.3 | 0 | 0 | 0 | 111.4 | R47 | R47-N49 PolarHBondContact O-N 3.12Å; R47-N49 VanDerWaalsContact O-N 3.09Å | ||
| 50 | S | 32.3 | Very low | 45.7 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | -179.3 | 155 | 143.9 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | T52 | S50-T52 PolarHBondContact O-N 2.87Š| ||
| 51 | P | 46.8 | Very low | 47.2 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -101.2 | 83 | -154.8 | 37.2 | -29.9 | 0 | 0 | 0 | 112.9 | ||
| 52 | T | 50.2 | Low | 49.1 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 69% | 0.693 | 70% | 0.698 | S | S | * | * | trans | -154.9 | 50.6 | 167.8 | 36.6 | 0 | 0 | 0 | 0 | 111.2 | S50 K54 | S50-T52 PolarHBondContact O-N 2.87Å; T52-K54 PolarHBondContact O-N 2.8Å | ||
| 53 | G | 50.7 | Low | 51.2 | Low | 59 Ų | 59 | 122.8 Ų | 122.8 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 1.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 54 | K | 50.8 | Low | 53.1 | Low | 178 Ų | 178 | 123 Ų | 123 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -40.9 | -179.1 | -83.4 | -173.1 | 174.3 | -177.8 | 0 | 114.3 | T52 Q58 | T52-K54 PolarHBondContact O-N 2.8Å; K54-Q58 PolarHBondContact O-N 2.92Å |
| 55 | E | 53.4 | Low | 55.3 | Low | 162 Ų | 162 | 123.8 Ų | 123.8 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.2 | -37.3 | -175.7 | -66.6 | 177.7 | 174.1 | 0 | 0 | 112.5 | Q58 A59 | E55-Q58 PolarHBondContact O-N 2.86Å; E55-A59 PolarHBondContact O-N 3.25Å |
| 56 | G | 58.2 | Low | 57.8 | Low | 42 Ų | 42 | 121.3 Ų | 121.3 | 43% | 0.433 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.8 | -38.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q58 A59 V60 | G56-Q58 VanDerWaalsContact C-N 3.31Å; G56-Q58 PolarHBondContact O-N 2.82Å; G56-A59 PolarHBondContact O-N 2.94Å; G56-V60 WeakPolarHBondContact O-CG2 3.37Å; G56-V60 PolarHBondContact O-N 2.85Å; G56-V60 VanDerWaalsContact O-N 3.14Å |
| 57 | Y | 59.2 | Low | 60 | Low | 181 Ų | 181 | 120.4 Ų | 120.4 | 71% | 0.71 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.3 | -36.8 | 174.5 | -99.5 | -81 | 0 | 0 | 0 | 112.1 | L61 | Y57-L61 PolarHBondContact O-N 3.41Å; Y57-L61 VanDerWaalsContact O-N 3.08Å |
| 58 | Q | 64.9 | Low | 62.1 | Low | 127 Ų | 127 | 112.9 Ų | 112.9 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.5 | -34.5 | -179.5 | -163.1 | 148.3 | -12.4 | 0 | 0 | 112.1 | K54 E55 G56 L61 Q62 | K54-Q58 PolarHBondContact O-N 2.92Å; E55-Q58 PolarHBondContact O-N 2.86Å; G56-Q58 VanDerWaalsContact C-N 3.31Å; G56-Q58 PolarHBondContact O-N 2.82Å; Q58-L61 PolarHBondContact O-N 2.79Å; Q58-Q62 WeakPolarHBondContact O-CB 3.47Å; Q58-Q62 WeakPolarHBondContact O-CG 3.44Å; Q58-Q62 PolarHBondContact O-N 3.12Å |
| 59 | A | 69.5 | Low | 64.2 | Low | 50 Ų | 50 | 115.4 Ų | 115.4 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.1 | -45 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E55 G56 L61 Q62 E63 | E55-A59 PolarHBondContact O-N 3.25Å; G56-A59 PolarHBondContact O-N 2.94Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 3.36Å; A59-Q62 PolarHBondContact O-N 3.42Å; A59-E63 WeakPolarHBondContact O-CB 3.33Å; A59-E63 PolarHBondContact O-N 2.81Å |
| 60 | V | 72.4 | Confident | 66.4 | Low | 92 Ų | 92 | 112.3 Ų | 112.3 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.9 | -39.3 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | G56 E63 W64 | G56-V60 WeakPolarHBondContact O-CG2 3.37Å; G56-V60 PolarHBondContact O-N 2.85Å; G56-V60 VanDerWaalsContact O-N 3.14Å; V60-E63 PolarHBondContact O-N 2.85Å; V60-W64 WeakPolarHBondContact O-CB 3.23Å; V60-W64 PolarHBondContact O-N 3.26Å |
| 61 | L | 69.4 | Low | 68.8 | Low | 106 Ų | 106 | 114.3 Ų | 114.3 | 56% | 0.555 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.9 | -43 | 174.4 | -91.5 | 156.1 | 0 | 0 | 0 | 112.3 | Y57 Q58 A59 W64 E65 | Y57-L61 PolarHBondContact O-N 3.41Å; Y57-L61 VanDerWaalsContact O-N 3.08Å; Q58-L61 PolarHBondContact O-N 2.79Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 3.36Å; L61-W64 PolarHBondContact O-N 3.39Å; L61-E65 WeakPolarHBondContact O-CG 3.41Å; L61-E65 PolarHBondContact O-N 3.07Å |
| 62 | Q | 76.6 | Confident | 70.4 | Confident | 116 Ų | 116 | 111.6 Ų | 111.6 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -41.2 | 177.1 | -80.2 | -179.8 | -34.3 | 0 | 0 | 112.2 | Q58 A59 W64 E65 E66 | Q58-Q62 WeakPolarHBondContact O-CB 3.47Å; Q58-Q62 WeakPolarHBondContact O-CG 3.44Å; Q58-Q62 PolarHBondContact O-N 3.12Å; A59-Q62 PolarHBondContact O-N 3.42Å; Q62-W64 VanDerWaalsContact C-N 3.32Å; Q62-W64 PolarHBondContact O-N 3.35Å; Q62-E65 PolarHBondContact O-N 2.96Å; Q62-E66 WeakPolarHBondContact O-CB 3.46Å; Q62-E66 PolarHBondContact O-N 2.95Å |
| 63 | E | 78 | Confident | 72.2 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.6 | -169.4 | 172.7 | -170.2 | 0 | 0 | 111.1 | A59 V60 E66 Q67 | A59-E63 WeakPolarHBondContact O-CB 3.33Å; A59-E63 PolarHBondContact O-N 2.81Å; V60-E63 PolarHBondContact O-N 2.85Å; E63-E66 PolarHBondContact O-N 3.26Å; E63-Q67 WeakPolarHBondContact O-CG 3.19Å; E63-Q67 PolarHBondContact O-N 3.26Å |
| 64 | W | 72.3 | Confident | 74 | Confident | 155 Ų | 155 | 109.4 Ų | 109.4 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.2 | -40.3 | 177.2 | -148.3 | 82.2 | 0 | 0 | 0 | 112.8 | V60 L61 Q62 E66 H68 | V60-W64 WeakPolarHBondContact O-CB 3.23Å; V60-W64 PolarHBondContact O-N 3.26Å; L61-W64 PolarHBondContact O-N 3.39Å; Q62-W64 VanDerWaalsContact C-N 3.32Å; Q62-W64 PolarHBondContact O-N 3.35Å; W64-E66 VanDerWaalsContact C-N 3.33Å; W64-H68 AromaticContact CD2-CE1 3.53Å; W64-H68 AromaticContact CD2-ND1 3.57Å; W64-H68 AromaticContact CE2-CE1 3.48Å; W64-H68 VanDerWaalsContact CE2-CE1 3.48Å; W64-H68 AromaticContact CE2-ND1 4Å; W64-H68 AromaticContact CE3-CE1 3.28Å; W64-H68 AromaticContact CE3-ND1 3.2Å; W64-H68 AromaticContact CH2-CE1 3Å; W64-H68 WeakPolarHBondContact CH2-CE1 3.5Å; W64-H68 AromaticContact CH2-ND1 3.84Å; W64-H68 AromaticContact CH2-NE2 3.38Å; W64-H68 WeakPolarHBondContact CH2-NE2 3.45Å; W64-H68 AromaticContact CZ2-CE1 3.25Å; W64-H68 WeakPolarHBondContact CZ2-CE1 3.37Å; W64-H68 AromaticContact CZ2-NE2 3.96Å; W64-H68 AromaticContact CZ3-CE1 3.01Å; W64-H68 WeakPolarHBondContact CZ3-CE1 3.38Å; W64-H68 AromaticContact CZ3-ND1 3.35Å; W64-H68 WeakPolarHBondContact CZ3-ND1 3.26Å; W64-H68 AromaticContact CZ3-NE2 3.49Å; W64-H68 WeakPolarHBondContact CZ3-NE2 3.28Å; W64-H68 PolarHBondContact O-N 3.19Å; W64-H68 PolarHBondContact O-ND1 3.26Å |
| 65 | E | 78.9 | Confident | 75.5 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 172.9 | -77.5 | -175.6 | -177 | 0 | 0 | 112.1 | L61 Q62 H68 R69 | L61-E65 WeakPolarHBondContact O-CG 3.41Å; L61-E65 PolarHBondContact O-N 3.07Å; Q62-E65 PolarHBondContact O-N 2.96Å; E65-H68 PolarHBondContact O-N 3.2Å; E65-R69 WeakPolarHBondContact O-CB 3.32Å; E65-R69 VanDerWaalsContact O-CG 3.32Å; E65-R69 WeakPolarHBondContact O-CG 3.4Å; E65-R69 PolarHBondContact O-N 3.18Å; E65-R69 IonicContact OE2-NH1 3.58Å; E65-R69 PolarHBondContact OE2-NH1 3.22Å; E65-R69 VanDerWaalsContact OE2-NH1 3.1Å |
| 66 | E | 83.3 | Confident | 77 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -40.7 | -179.9 | -163.4 | 166.8 | -160.6 | 0 | 0 | 111.4 | Q62 E63 W64 H68 R69 N70 | Q62-E66 WeakPolarHBondContact O-CB 3.46Å; Q62-E66 PolarHBondContact O-N 2.95Å; E63-E66 PolarHBondContact O-N 3.26Å; W64-E66 VanDerWaalsContact C-N 3.33Å; E66-H68 VanDerWaalsContact C-N 3.33Å; E66-H68 PolarHBondContact O-N 2.86Å; E66-R69 PolarHBondContact O-N 3.23Å; E66-N70 WeakPolarHBondContact O-CB 3.44Å; E66-N70 PolarHBondContact O-N 2.89Å; E66-N70 PolarHBondContact O-ND2 3.38Å |
| 67 | Q | 80.4 | Confident | 78.5 | Confident | 109 Ų | 109 | 109.9 Ų | 109.9 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 170 | -72.7 | 177.7 | -2.2 | 0 | 0 | 111.8 | E63 N70 Y71 | E63-Q67 WeakPolarHBondContact O-CG 3.19Å; E63-Q67 PolarHBondContact O-N 3.26Å; Q67-N70 PolarHBondContact O-N 3.43Å; Q67-Y71 WeakPolarHBondContact O-CB 3.2Å; Q67-Y71 PolarHBondContact O-N 3.31Å |
| 68 | H | 76 | Confident | 79.8 | Confident | 82 Ų | 82 | 105.9 Ų | 105.9 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.3 | -84.3 | 74.3 | 0 | 0 | 0 | 112.5 | W64 E65 E66 N70 Y71 V72 | W64-H68 AromaticContact CD2-CE1 3.53Å; W64-H68 AromaticContact CD2-ND1 3.57Å; W64-H68 AromaticContact CE2-CE1 3.48Å; W64-H68 VanDerWaalsContact CE2-CE1 3.48Å; W64-H68 AromaticContact CE2-ND1 4Å; W64-H68 AromaticContact CE3-CE1 3.28Å; W64-H68 AromaticContact CE3-ND1 3.2Å; W64-H68 AromaticContact CH2-CE1 3Å; W64-H68 WeakPolarHBondContact CH2-CE1 3.5Å; W64-H68 AromaticContact CH2-ND1 3.84Å; W64-H68 AromaticContact CH2-NE2 3.38Å; W64-H68 WeakPolarHBondContact CH2-NE2 3.45Å; W64-H68 AromaticContact CZ2-CE1 3.25Å; W64-H68 WeakPolarHBondContact CZ2-CE1 3.37Å; W64-H68 AromaticContact CZ2-NE2 3.96Å; W64-H68 AromaticContact CZ3-CE1 3.01Å; W64-H68 WeakPolarHBondContact CZ3-CE1 3.38Å; W64-H68 AromaticContact CZ3-ND1 3.35Å; W64-H68 WeakPolarHBondContact CZ3-ND1 3.26Å; W64-H68 AromaticContact CZ3-NE2 3.49Å; W64-H68 WeakPolarHBondContact CZ3-NE2 3.28Å; W64-H68 PolarHBondContact O-N 3.19Å; W64-H68 PolarHBondContact O-ND1 3.26Å; E65-H68 PolarHBondContact O-N 3.2Å; E66-H68 VanDerWaalsContact C-N 3.33Å; E66-H68 PolarHBondContact O-N 2.86Å; H68-N70 VanDerWaalsContact C-N 3.31Å; H68-N70 PolarHBondContact O-N 3Å; H68-Y71 PolarHBondContact O-N 3.45Å; H68-V72 WeakPolarHBondContact O-CB 3.41Å; H68-V72 VanDerWaalsContact O-CG2 3.27Å; H68-V72 WeakPolarHBondContact O-CG2 3.34Å; H68-V72 PolarHBondContact O-N 2.79Å |
| 69 | R | 84.2 | Confident | 80.8 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 50% | 0.502 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.9 | -77.3 | -172.7 | -68.8 | -104 | 0.5 | 111 | E65 E66 V72 S73 | E65-R69 WeakPolarHBondContact O-CB 3.32Å; E65-R69 VanDerWaalsContact O-CG 3.32Å; E65-R69 WeakPolarHBondContact O-CG 3.4Å; E65-R69 PolarHBondContact O-N 3.18Å; E65-R69 IonicContact OE2-NH1 3.58Å; E65-R69 PolarHBondContact OE2-NH1 3.22Å; E65-R69 VanDerWaalsContact OE2-NH1 3.1Å; E66-R69 PolarHBondContact O-N 3.23Å; R69-V72 PolarHBondContact O-N 3.36Å; R69-S73 WeakPolarHBondContact O-CB 3.43Å; R69-S73 PolarHBondContact O-N 2.95Å |
| 70 | N | 86.3 | Confident | 81.6 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 178.2 | -70.6 | -21.3 | 0 | 0 | 0 | 111.5 | E66 Q67 H68 S73 S74 | E66-N70 WeakPolarHBondContact O-CB 3.44Å; E66-N70 PolarHBondContact O-N 2.89Å; E66-N70 PolarHBondContact O-ND2 3.38Å; Q67-N70 PolarHBondContact O-N 3.43Å; H68-N70 VanDerWaalsContact C-N 3.31Å; H68-N70 PolarHBondContact O-N 3Å; N70-S73 PolarHBondContact O-N 3.32Å; N70-S73 PolarHBondContact O-OG 3.11Å; N70-S74 PolarHBondContact O-N 3.18Å |
| 71 | Y | 83.2 | Confident | 82.4 | Confident | 151 Ų | 151 | 105.2 Ų | 105.2 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 175.8 | -174.1 | -112.7 | 0 | 0 | 0 | 112.3 | Q67 H68 S73 S74 L75 | Q67-Y71 WeakPolarHBondContact O-CB 3.2Å; Q67-Y71 PolarHBondContact O-N 3.31Å; H68-Y71 PolarHBondContact O-N 3.45Å; Y71-S73 VanDerWaalsContact C-N 3.32Å; Y71-S73 PolarHBondContact O-N 3.48Å; Y71-S74 WeakPolarHBondContact O-CB 3.33Å; Y71-S74 PolarHBondContact O-N 2.95Å; Y71-L75 HydrophobicContact CD1-CD1 3.85Å; Y71-L75 HydrophobicContact CE1-CD1 3.4Å; Y71-L75 HydrophobicContact CE1-CG 4.23Å; Y71-L75 HydrophobicContact CE2-CD1 4.5Å; Y71-L75 PolarHBondContact O-N 2.94Å |
| 72 | V | 81.3 | Confident | 83.2 | Confident | 69 Ų | 69 | 105.1 Ų | 105.1 | 42% | 0.418 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.5 | 170 | 0 | 0 | 0 | 0 | 111.4 | H68 R69 S74 L75 K76 | H68-V72 WeakPolarHBondContact O-CB 3.41Å; H68-V72 VanDerWaalsContact O-CG2 3.27Å; H68-V72 WeakPolarHBondContact O-CG2 3.34Å; H68-V72 PolarHBondContact O-N 2.79Å; R69-V72 PolarHBondContact O-N 3.36Å; V72-S74 VanDerWaalsContact C-N 3.34Å; V72-L75 PolarHBondContact O-N 2.74Å; V72-K76 HydrophobicContact CG1-CD 4.36Å; V72-K76 WeakPolarHBondContact O-CB 3.1Å; V72-K76 WeakPolarHBondContact O-CG 3.49Å; V72-K76 PolarHBondContact O-N 3.1Å |
| 73 | S | 87.2 | Confident | 83.5 | Confident | 67 Ų | 67 | 106.4 Ų | 106.4 | 47% | 0.469 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 177.2 | 79.2 | 0 | 0 | 0 | 0 | 112.2 | R69 N70 Y71 K76 R77 | R69-S73 WeakPolarHBondContact O-CB 3.43Å; R69-S73 PolarHBondContact O-N 2.95Å; N70-S73 PolarHBondContact O-N 3.32Å; N70-S73 PolarHBondContact O-OG 3.11Å; Y71-S73 VanDerWaalsContact C-N 3.32Å; Y71-S73 PolarHBondContact O-N 3.48Å; S73-K76 PolarHBondContact O-N 3.42Å; S73-R77 PolarHBondContact O-N 2.92Å |
| 74 | S | 89.4 | Confident | 84 | Confident | 59 Ų | 59 | 107.4 Ų | 107.4 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 177 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | N70 Y71 V72 K76 R77 Q78 | N70-S74 PolarHBondContact O-N 3.18Å; Y71-S74 WeakPolarHBondContact O-CB 3.33Å; Y71-S74 PolarHBondContact O-N 2.95Å; V72-S74 VanDerWaalsContact C-N 3.34Å; S74-K76 PolarHBondContact O-N 2.91Å; S74-R77 WeakPolarHBondContact O-CB 3.42Å; S74-R77 PolarHBondContact O-N 3.45Å; S74-R77 VanDerWaalsContact O-N 3.11Å; S74-Q78 PolarHBondContact O-N 2.96Å |
| 75 | L | 81.1 | Confident | 84.6 | Confident | 62 Ų | 62 | 105.8 Ų | 105.8 | 33% | 0.325 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175 | -74.5 | 174.8 | 0 | 0 | 0 | 112.4 | Y71 V72 R77 Q78 I79 | Y71-L75 HydrophobicContact CD1-CD1 3.85Å; Y71-L75 HydrophobicContact CE1-CD1 3.4Å; Y71-L75 HydrophobicContact CE1-CG 4.23Å; Y71-L75 HydrophobicContact CE2-CD1 4.5Å; Y71-L75 PolarHBondContact O-N 2.94Å; V72-L75 PolarHBondContact O-N 2.74Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 2.96Å; L75-Q78 PolarHBondContact O-N 3.48Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 3.21Å |
| 76 | K | 84.2 | Confident | 84.8 | Confident | 145 Ų | 145 | 106.8 Ų | 106.8 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.3 | -39.6 | 174.6 | -79.4 | -179 | 178.8 | -177.4 | 0 | 111.9 | V72 S73 S74 I79 A80 | V72-K76 HydrophobicContact CG1-CD 4.36Å; V72-K76 WeakPolarHBondContact O-CB 3.1Å; V72-K76 WeakPolarHBondContact O-CG 3.49Å; V72-K76 PolarHBondContact O-N 3.1Å; S73-K76 PolarHBondContact O-N 3.42Å; S74-K76 PolarHBondContact O-N 2.91Å; K76-I79 PolarHBondContact O-N 3.47Å; K76-A80 PolarHBondContact O-N 3.43Å |
| 77 | R | 90 | Very high | 84.8 | Confident | 184 Ų | 184 | 107.4 Ų | 107.4 | 69% | 0.694 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.5 | -41.3 | 177.4 | -165.6 | 175.9 | -178.3 | 175.8 | 0.2 | 111.9 | S73 S74 L75 A80 Q81 | S73-R77 PolarHBondContact O-N 2.92Å; S74-R77 WeakPolarHBondContact O-CB 3.42Å; S74-R77 PolarHBondContact O-N 3.45Å; S74-R77 VanDerWaalsContact O-N 3.11Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 2.96Å; R77-A80 PolarHBondContact O-N 3.47Å; R77-Q81 PolarHBondContact O-N 3.48Å |
| 78 | Q | 86.4 | Confident | 84.9 | Confident | 98 Ų | 98 | 107.4 Ų | 107.4 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 174.3 | -72.6 | 179 | -5.6 | 0 | 0 | 112 | S74 L75 A80 Q81 L82 | S74-Q78 PolarHBondContact O-N 2.96Å; L75-Q78 PolarHBondContact O-N 3.48Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 3.18Å; Q78-Q81 PolarHBondContact O-N 3.1Å; Q78-L82 WeakPolarHBondContact O-CB 3.49Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 2.92Å |
| 79 | I | 85.9 | Confident | 85 | Confident | 94 Ų | 94 | 112.1 Ų | 112.1 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.2 | -69.4 | 166.7 | 0 | 0 | 0 | 110.8 | L75 K76 K83 | L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 3.21Å; K76-I79 PolarHBondContact O-N 3.47Å; I79-K83 HydrophobicContact CG2-CD 4.28Å; I79-K83 WeakPolarHBondContact O-CB 3.5Å; I79-K83 VanDerWaalsContact O-CG 3.3Å; I79-K83 WeakPolarHBondContact O-CG 3.45Å; I79-K83 PolarHBondContact O-N 3.37Å |
| 80 | A | 87.7 | Confident | 84.6 | Confident | 57 Ų | 57 | 108.8 Ų | 108.8 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K76 R77 Q78 K83 E84 | K76-A80 PolarHBondContact O-N 3.43Å; R77-A80 PolarHBondContact O-N 3.47Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 3.18Å; A80-K83 PolarHBondContact O-N 3.46Å; A80-E84 PolarHBondContact O-N 2.79Å |
| 81 | Q | 89.5 | Confident | 84.1 | Confident | 103 Ų | 103 | 108.6 Ų | 108.6 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 176.7 | -76.5 | -178.8 | -54.9 | 0 | 0 | 112.2 | R77 Q78 K83 E84 E85 | R77-Q81 PolarHBondContact O-N 3.48Å; Q78-Q81 PolarHBondContact O-N 3.1Å; Q81-K83 VanDerWaalsContact C-N 3.28Å; Q81-K83 PolarHBondContact O-N 2.89Å; Q81-E84 WeakPolarHBondContact O-CB 3.38Å; Q81-E84 PolarHBondContact O-N 2.9Å; Q81-E84 VanDerWaalsContact O-N 3.14Å; Q81-E85 PolarHBondContact O-N 2.83Å |
| 82 | L | 84.9 | Confident | 83.8 | Confident | 104 Ų | 104 | 106.9 Ų | 106.9 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 178.1 | -77.5 | 168.1 | 0 | 0 | 0 | 111.8 | Q78 L86 | Q78-L82 WeakPolarHBondContact O-CB 3.49Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 2.92Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 PolarHBondContact O-N 2.88Å |
| 83 | K | 84.1 | Confident | 83.3 | Confident | 144 Ų | 144 | 109.2 Ų | 109.2 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 174.1 | -79.9 | -178.5 | 178.7 | -170.7 | 0 | 112.1 | I79 A80 Q81 L86 Q87 | I79-K83 HydrophobicContact CG2-CD 4.28Å; I79-K83 WeakPolarHBondContact O-CB 3.5Å; I79-K83 VanDerWaalsContact O-CG 3.3Å; I79-K83 WeakPolarHBondContact O-CG 3.45Å; I79-K83 PolarHBondContact O-N 3.37Å; A80-K83 PolarHBondContact O-N 3.46Å; Q81-K83 VanDerWaalsContact C-N 3.28Å; Q81-K83 PolarHBondContact O-N 2.89Å; K83-L86 PolarHBondContact O-N 3.1Å; K83-Q87 WeakPolarHBondContact O-CB 3.45Å; K83-Q87 PolarHBondContact O-N 3.19Å |
| 84 | E | 88.1 | Confident | 82.4 | Confident | 138 Ų | 138 | 112.8 Ų | 112.8 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -45.8 | 177.3 | -165.6 | 171.2 | -166.1 | 0 | 0 | 111 | A80 Q81 L86 Q87 E88 | A80-E84 PolarHBondContact O-N 2.79Å; Q81-E84 WeakPolarHBondContact O-CB 3.38Å; Q81-E84 PolarHBondContact O-N 2.9Å; Q81-E84 VanDerWaalsContact O-N 3.14Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 3.17Å; E84-Q87 PolarHBondContact O-N 3.43Å; E84-E88 WeakPolarHBondContact O-CB 3.49Å; E84-E88 PolarHBondContact O-N 2.76Å |
| 85 | E | 85.6 | Confident | 81.3 | Confident | 121 Ų | 121 | 114.5 Ų | 114.5 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 174 | -74.5 | -178.2 | -177.7 | 0 | 0 | 112.5 | Q81 Q87 E88 R89 | Q81-E85 PolarHBondContact O-N 2.83Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-E88 PolarHBondContact O-N 3.19Å; E85-R89 VanDerWaalsContact O-CB 3.24Å; E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 3.1Å |
| 86 | L | 82.7 | Confident | 80.5 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -37.4 | 176.9 | -128.1 | 146.6 | 0 | 0 | 0 | 111.6 | L82 K83 E84 S90 | L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 PolarHBondContact O-N 2.88Å; K83-L86 PolarHBondContact O-N 3.1Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 3.17Å; L86-S90 VanDerWaalsContact O-CB 3.28Å; L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 3.15Å; L86-S90 PolarHBondContact O-OG 3.3Å |
| 87 | Q | 82.3 | Confident | 79.2 | Confident | 121 Ų | 121 | 113.1 Ų | 113.1 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.1 | -46.7 | 176.8 | -171.6 | 173 | -22.4 | 0 | 0 | 110.7 | K83 E84 E85 R89 S90 E91 | K83-Q87 WeakPolarHBondContact O-CB 3.45Å; K83-Q87 PolarHBondContact O-N 3.19Å; E84-Q87 PolarHBondContact O-N 3.43Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; Q87-R89 PolarHBondContact O-N 2.7Å; Q87-S90 WeakPolarHBondContact O-CB 3.43Å; Q87-S90 PolarHBondContact O-N 2.97Å; Q87-E91 WeakPolarHBondContact O-CG 3.24Å; Q87-E91 PolarHBondContact O-N 3.28Å |
| 88 | E | 83.7 | Confident | 77.4 | Confident | 109 Ų | 109 | 109.1 Ų | 109.1 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.5 | -168.6 | -172.9 | 169.1 | 0 | 0 | 111.3 | E84 E85 S90 E91 Q92 | E84-E88 WeakPolarHBondContact O-CB 3.49Å; E84-E88 PolarHBondContact O-N 2.76Å; E85-E88 PolarHBondContact O-N 3.19Å; E88-S90 VanDerWaalsContact C-N 3.31Å; E88-S90 PolarHBondContact O-N 3.25Å; E88-E91 PolarHBondContact O-N 3.16Å; E88-Q92 WeakPolarHBondContact O-CG 3.34Å; E88-Q92 PolarHBondContact O-N 3.3Å; E88-Q92 PolarHBondContact OE1-NE2 3.38Å |
| 89 | R | 78.3 | Confident | 75.9 | Confident | 182 Ų | 182 | 112.2 Ų | 112.2 | 69% | 0.687 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.8 | -32.8 | 178.3 | -157.4 | 171.7 | -169.4 | -175.6 | 2.6 | 112.4 | E85 Q87 L93 | E85-R89 VanDerWaalsContact O-CB 3.24Å; E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 3.1Å; Q87-R89 PolarHBondContact O-N 2.7Å; R89-L93 WeakPolarHBondContact O-CG 3.37Å; R89-L93 PolarHBondContact O-N 3.01Å |
| 90 | S | 74.4 | Confident | 74.3 | Confident | 62 Ų | 62 | 110.9 Ų | 110.9 | 43% | 0.434 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 172.6 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | L86 Q87 E88 L93 R94 | L86-S90 VanDerWaalsContact O-CB 3.28Å; L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 3.15Å; L86-S90 PolarHBondContact O-OG 3.3Å; Q87-S90 WeakPolarHBondContact O-CB 3.43Å; Q87-S90 PolarHBondContact O-N 2.97Å; E88-S90 VanDerWaalsContact C-N 3.31Å; E88-S90 PolarHBondContact O-N 3.25Å; S90-L93 PolarHBondContact O-N 2.71Å; S90-R94 WeakPolarHBondContact O-CB 3.49Å; S90-R94 PolarHBondContact O-N 3.25Å |
| 91 | E | 76.3 | Confident | 72.5 | Confident | 91 Ų | 91 | 109.7 Ų | 109.7 | 43% | 0.425 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 174.4 | -73.3 | 179.1 | -175.1 | 0 | 0 | 112 | Q87 E88 R94 N95 | Q87-E91 WeakPolarHBondContact O-CG 3.24Å; Q87-E91 PolarHBondContact O-N 3.28Å; E88-E91 PolarHBondContact O-N 3.16Å; E91-R94 WeakPolarHBondContact O-CB 3.38Å; E91-R94 PolarHBondContact O-N 3.31Å; E91-N95 WeakPolarHBondContact O-CB 3.42Å; E91-N95 VanDerWaalsContact O-CG 3.31Å; E91-N95 PolarHBondContact O-N 2.96Å |
| 92 | Q | 76.2 | Confident | 70.6 | Confident | 116 Ų | 116 | 111.9 Ų | 111.9 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.6 | -43.7 | 173.7 | -71.4 | 174.3 | 8 | 0 | 0 | 112 | E88 R94 N95 G96 | E88-Q92 WeakPolarHBondContact O-CG 3.34Å; E88-Q92 PolarHBondContact O-N 3.3Å; E88-Q92 PolarHBondContact OE1-NE2 3.38Å; Q92-R94 VanDerWaalsContact C-N 3.35Å; Q92-N95 PolarHBondContact O-N 3.17Å; Q92-G96 PolarHBondContact O-N 2.78Å |
| 93 | L | 72.1 | Confident | 69 | Low | 118 Ų | 118 | 111.3 Ų | 111.3 | 62% | 0.618 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.9 | -39.7 | 174.3 | -78.3 | 165.3 | 0 | 0 | 0 | 112 | R89 S90 G96 Q97 | R89-L93 WeakPolarHBondContact O-CG 3.37Å; R89-L93 PolarHBondContact O-N 3.01Å; S90-L93 PolarHBondContact O-N 2.71Å; L93-G96 PolarHBondContact O-N 2.59Å; L93-Q97 PolarHBondContact O-N 2.65Å |
| 94 | R | 67.4 | Low | 67.5 | Low | 141 Ų | 141 | 107.6 Ų | 107.6 | 53% | 0.532 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.7 | -47.1 | 175.6 | -161.5 | 178.3 | 82.8 | -176.4 | 4.3 | 110.9 | S90 E91 Q92 G96 Q97 Y98 | S90-R94 WeakPolarHBondContact O-CB 3.49Å; S90-R94 PolarHBondContact O-N 3.25Å; E91-R94 WeakPolarHBondContact O-CB 3.38Å; E91-R94 PolarHBondContact O-N 3.31Å; Q92-R94 VanDerWaalsContact C-N 3.35Å; R94-G96 VanDerWaalsContact C-N 3.35Å; R94-G96 PolarHBondContact O-N 3.35Å; R94-Q97 PolarHBondContact O-N 2.93Å; R94-Y98 HydrophobicContact CG-CD2 4.18Å; R94-Y98 HydrophobicContact CG-CE2 3.85Å; R94-Y98 WeakPolarHBondContact O-CD2 3.37Å; R94-Y98 PolarHBondContact O-N 3.09Å |
| 95 | N | 66.8 | Low | 65.5 | Low | 95 Ų | 95 | 104.6 Ų | 104.6 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -35.2 | 178.6 | -71 | -10.4 | 0 | 0 | 0 | 112.5 | E91 Q92 Y98 Q99 | E91-N95 WeakPolarHBondContact O-CB 3.42Å; E91-N95 VanDerWaalsContact O-CG 3.31Å; E91-N95 PolarHBondContact O-N 2.96Å; Q92-N95 PolarHBondContact O-N 3.17Å; N95-Y98 PolarHBondContact O-N 3.18Å; N95-Q99 PolarHBondContact O-N 2.91Å |
| 96 | G | 63.8 | Low | 63.9 | Low | 37 Ų | 37 | 105.4 Ų | 105.4 | 38% | 0.381 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.1 | -35.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q92 L93 R94 Q99 A100 | Q92-G96 PolarHBondContact O-N 2.78Å; L93-G96 PolarHBondContact O-N 2.59Å; R94-G96 VanDerWaalsContact C-N 3.35Å; R94-G96 PolarHBondContact O-N 3.35Å; G96-Q99 PolarHBondContact O-N 3.42Å; G96-A100 PolarHBondContact O-N 2.99Å |
| 97 | Q | 57 | Low | 62 | Low | 142 Ų | 142 | 103.2 Ų | 103.2 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.5 | -33.6 | 173.4 | -85.4 | 178.2 | -23.8 | 0 | 0 | 113.2 | L93 R94 A100 S101 | L93-Q97 PolarHBondContact O-N 2.65Å; R94-Q97 PolarHBondContact O-N 2.93Å; Q97-A100 PolarHBondContact O-N 3.39Å; Q97-S101 WeakPolarHBondContact O-CB 3.43Å; Q97-S101 PolarHBondContact O-N 3.2Å; Q97-S101 PolarHBondContact O-OG 3.49Å |
| 98 | Y | 52.7 | Low | 60.7 | Low | 100 Ų | 100 | 101.1 Ų | 101.1 | 39% | 0.392 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.8 | -42 | 172.6 | -87.3 | -74.8 | 0 | 0 | 0 | 111.9 | R94 N95 A100 S101 D102 | R94-Y98 HydrophobicContact CG-CD2 4.18Å; R94-Y98 HydrophobicContact CG-CE2 3.85Å; R94-Y98 WeakPolarHBondContact O-CD2 3.37Å; R94-Y98 PolarHBondContact O-N 3.09Å; N95-Y98 PolarHBondContact O-N 3.18Å; Y98-A100 VanDerWaalsContact C-N 3.35Å; Y98-A100 PolarHBondContact O-N 3.35Å; Y98-S101 PolarHBondContact O-OG 3.11Å; Y98-D102 PolarHBondContact O-N 3.02Å |
| 99 | Q | 54 | Low | 59 | Low | 162 Ų | 162 | 103.6 Ų | 103.6 | 76% | 0.757 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.7 | -30.2 | 177.7 | -72.5 | 179.8 | -23.3 | 0 | 0 | 113.5 | N95 G96 | N95-Q99 PolarHBondContact O-N 2.91Å; G96-Q99 PolarHBondContact O-N 3.42Å |
| 100 | A | 51.9 | Low | 57.9 | Low | 66 Ų | 66 | 104.1 Ų | 104.1 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -82.9 | -27.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G96 Q97 Y98 | G96-A100 PolarHBondContact O-N 2.99Å; Q97-A100 PolarHBondContact O-N 3.39Å; Y98-A100 VanDerWaalsContact C-N 3.35Å; Y98-A100 PolarHBondContact O-N 3.35Å |
| 101 | S | 49.7 | Very low | 56.8 | Low | 33 Ų | 33 | 103.8 Ų | 103.8 | 23% | 0.231 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -81.9 | -31.5 | -178.5 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | Q97 Y98 A103 A104 G105 | Q97-S101 WeakPolarHBondContact O-CB 3.43Å; Q97-S101 PolarHBondContact O-N 3.2Å; Q97-S101 PolarHBondContact O-OG 3.49Å; Y98-S101 PolarHBondContact O-OG 3.11Å; S101-A103 PolarHBondContact O-N 2.98Å; S101-A104 PolarHBondContact O-N 3.04Å; S101-G105 PolarHBondContact O-N 3.36Å |
| 102 | D | 50.2 | Low | 56 | Low | 148 Ų | 148 | 103 Ų | 103 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -24.7 | 172.2 | -87.5 | -16 | 0 | 0 | 0 | 112.9 | Y98 | Y98-D102 PolarHBondContact O-N 3.02Š|
| 103 | A | 52.5 | Low | 55.2 | Low | 92 Ų | 92 | 102.4 Ų | 102.4 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -15.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S101 | S101-A103 PolarHBondContact O-N 2.98Š|
| 104 | A | 51.4 | Low | 54.7 | Low | 66 Ų | 66 | 104.4 Ų | 104.4 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.1 | -1.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S101 L106 | S101-A104 PolarHBondContact O-N 3.04Å; A104-L106 PolarHBondContact O-N 2.87Å; A104-L106 VanDerWaalsContact O-N 3.09Å |
| 105 | G | 47.1 | Very low | 54.5 | Low | 75 Ų | 75 | 103.5 Ų | 103.5 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.3 | 20 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S101 | S101-G105 PolarHBondContact O-N 3.36Š|
| 106 | L | 51.3 | Low | 54.8 | Low | 138 Ų | 138 | 102.3 Ų | 102.3 | 72% | 0.723 | 60% | 0.602 | S | S | * | * | trans | -108.6 | 107.7 | 175.2 | -73.5 | 163.7 | 0 | 0 | 0 | 108.2 | A104 | A104-L106 PolarHBondContact O-N 2.87Å; A104-L106 VanDerWaalsContact O-N 3.09Å | ||
| 107 | G | 43.9 | Very low | 55.4 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 75% | 0.753 | 61% | 0.613 | S | S | * | * | trans | -60.9 | 133.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D109 | G107-D109 PolarHBondContact O-N 3.44Š| ||
| 108 | P | 53.4 | Low | 56.6 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 51% | 0.506 | 60% | 0.604 | S | S | . | * | trans | -73.1 | 130 | 177.7 | 27.1 | -30.2 | 0 | 0 | 0 | 109.8 | R110 | P108-R110 PolarHBondContact O-N 2.9Š| ||
| 109 | D | 49.5 | Very low | 58.1 | Low | 160 Ų | 160 | 102.1 Ų | 102.1 | 86% | 0.856 | 61% | 0.607 | S | S | * | * | trans | -62 | 106.7 | 166.4 | -164.2 | 5.8 | 0 | 0 | 0 | 108 | G107 S111 | G107-D109 PolarHBondContact O-N 3.44Å; D109-S111 PolarHBondContact O-N 3.25Å; D109-S111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | R | 53.8 | Low | 59.6 | Low | 194 Ų | 194 | 99.1 Ų | 99.1 | 73% | 0.732 | 60% | 0.596 | S | S | * | * | trans | -86.7 | 76.7 | -173.6 | -73.2 | -176.3 | 177.9 | -175.3 | 0.1 | 110 | P108 | P108-R110 PolarHBondContact O-N 2.9Š| ||
| 111 | S | 52.3 | Low | 61.1 | Low | 55 Ų | 55 | 100 Ų | 100 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | trans | -83.7 | 133.7 | 156.1 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | D109 T116 | D109-S111 PolarHBondContact O-N 3.25Å; D109-S111 VanDerWaalsContact O-N 3.16Å; S111-T116 PolarHBondContact OG-OG1 3.36Å; S111-T116 VanDerWaalsContact OG-OG1 3.13Å | ||
| 112 | P | 58.6 | Low | 62.9 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | trans | -61.1 | 142.7 | 176.5 | 15.6 | -22.3 | 0 | 0 | 0 | 110.8 | E114 K115 T116 | P112-E114 PolarHBondContact O-N 3.45Å; P112-E114 VanDerWaalsContact O-N 3.15Å; P112-K115 HydrophobicContact CG-CB 3.96Å; P112-K115 HydrophobicContact CG-CD 4.48Å; P112-K115 WeakPolarHBondContact O-CA 3.48Å; P112-K115 VanDerWaalsContact O-CB 3.27Å; P112-K115 WeakPolarHBondContact O-CB 3.47Å; P112-K115 PolarHBondContact O-N 3.08Å; P112-T116 PolarHBondContact O-N 2.96Å; P112-T116 VanDerWaalsContact O-N 3.14Å; P112-T116 PolarHBondContact O-OG1 3.02Å | ||
| 113 | P | 59.4 | Low | 64.6 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.4 | -32.1 | -172.7 | 19.5 | -31 | 0 | 0 | 0 | 113.6 | K115 T116 Q117 | P113-K115 VanDerWaalsContact C-N 3.32Å; P113-K115 PolarHBondContact O-N 2.95Å; P113-T116 PolarHBondContact O-N 2.97Å; P113-Q117 PolarHBondContact O-N 3.38Å |
| 114 | E | 61.2 | Low | 66.1 | Low | 161 Ų | 161 | 95.6 Ų | 95.6 | 75% | 0.752 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.6 | -36.9 | 173.4 | -65.2 | -178.4 | 167.1 | 0 | 0 | 112.4 | P112 Q117 A118 | P112-E114 PolarHBondContact O-N 3.45Å; P112-E114 VanDerWaalsContact O-N 3.15Å; E114-Q117 PolarHBondContact O-N 3.42Å; E114-A118 WeakPolarHBondContact O-CB 3.34Å; E114-A118 PolarHBondContact O-N 2.8Å |
| 115 | K | 64.3 | Low | 67.8 | Low | 121 Ų | 121 | 97.3 Ų | 97.3 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.2 | -42.1 | 175.9 | -165.8 | 179.1 | -179.8 | -175 | 0 | 110.4 | P112 P113 Q117 A118 D119 | P112-K115 HydrophobicContact CG-CB 3.96Å; P112-K115 HydrophobicContact CG-CD 4.48Å; P112-K115 WeakPolarHBondContact O-CA 3.48Å; P112-K115 VanDerWaalsContact O-CB 3.27Å; P112-K115 WeakPolarHBondContact O-CB 3.47Å; P112-K115 PolarHBondContact O-N 3.08Å; P113-K115 VanDerWaalsContact C-N 3.32Å; P113-K115 PolarHBondContact O-N 2.95Å; K115-Q117 VanDerWaalsContact C-N 3.33Å; K115-Q117 PolarHBondContact O-N 2.76Å; K115-A118 PolarHBondContact O-N 3.12Å; K115-D119 VanDerWaalsContact O-CB 3.3Å; K115-D119 WeakPolarHBondContact O-CB 3.35Å; K115-D119 PolarHBondContact O-N 2.64Å |
| 116 | T | 73.5 | Confident | 69.6 | Low | 70 Ų | 70 | 95.4 Ų | 95.4 | 43% | 0.429 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 175.4 | -48.6 | 0 | 0 | 0 | 0 | 112.4 | S111 P112 P113 L120 | S111-T116 PolarHBondContact OG-OG1 3.36Å; S111-T116 VanDerWaalsContact OG-OG1 3.13Å; P112-T116 PolarHBondContact O-N 2.96Å; P112-T116 VanDerWaalsContact O-N 3.14Å; P112-T116 PolarHBondContact O-OG1 3.02Å; P113-T116 PolarHBondContact O-N 2.97Å; T116-L120 WeakPolarHBondContact O-CB 3.5Å; T116-L120 PolarHBondContact O-N 2.72Å |
| 117 | Q | 76.1 | Confident | 71.1 | Confident | 131 Ų | 131 | 89.9 Ų | 89.9 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.1 | -41 | 175.7 | -172.9 | 174 | 5 | 0 | 0 | 112.3 | P113 E114 K115 L120 L121 | P113-Q117 PolarHBondContact O-N 3.38Å; E114-Q117 PolarHBondContact O-N 3.42Å; K115-Q117 VanDerWaalsContact C-N 3.33Å; K115-Q117 PolarHBondContact O-N 2.76Å; Q117-L120 PolarHBondContact O-N 3.36Å; Q117-L121 WeakPolarHBondContact O-CG 3.13Å; Q117-L121 PolarHBondContact O-N 3.28Å |
| 118 | A | 82.2 | Confident | 73 | Confident | 55 Ų | 55 | 86.9 Ų | 86.9 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E114 K115 L121 A122 | E114-A118 WeakPolarHBondContact O-CB 3.34Å; E114-A118 PolarHBondContact O-N 2.8Å; K115-A118 PolarHBondContact O-N 3.12Å; A118-L121 PolarHBondContact O-N 2.81Å; A118-A122 VanDerWaalsContact O-CB 3.32Å; A118-A122 WeakPolarHBondContact O-CB 3.44Å; A118-A122 PolarHBondContact O-N 3.29Å |
| 119 | D | 84.6 | Confident | 74.4 | Confident | 89 Ų | 89 | 88.6 Ų | 88.6 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.9 | -68.9 | -21.9 | 0 | 0 | 0 | 111.2 | K115 A122 F123 | K115-D119 VanDerWaalsContact O-CB 3.3Å; K115-D119 WeakPolarHBondContact O-CB 3.35Å; K115-D119 PolarHBondContact O-N 2.64Å; D119-A122 PolarHBondContact O-N 2.03Å; D119-F123 WeakPolarHBondContact O-CB 3.45Å; D119-F123 PolarHBondContact O-N 3.11Å |
| 120 | L | 84.5 | Confident | 75.8 | Confident | 100 Ų | 100 | 87 Ų | 87 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 173.5 | 178.6 | 61.9 | 0 | 0 | 0 | 111.5 | T116 Q117 A122 F123 L124 | T116-L120 WeakPolarHBondContact O-CB 3.5Å; T116-L120 PolarHBondContact O-N 2.72Å; Q117-L120 PolarHBondContact O-N 3.36Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 2.9Å; L120-F123 WeakPolarHBondContact O-CB 3.06Å; L120-F123 PolarHBondContact O-N 3.04Å; L120-L124 HydrophobicContact CD1-CG 4.38Å; L120-L124 HydrophobicContact CG-CD1 4.44Å; L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 3.36Å |
| 121 | L | 84.5 | Confident | 77.1 | Confident | 84 Ų | 84 | 78.1 Ų | 78.1 | 44% | 0.44 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.9 | -74.5 | 170.4 | 0 | 0 | 0 | 111.4 | Q117 A118 F123 L124 H125 | Q117-L121 WeakPolarHBondContact O-CG 3.13Å; Q117-L121 PolarHBondContact O-N 3.28Å; A118-L121 PolarHBondContact O-N 2.81Å; L121-F123 VanDerWaalsContact C-N 3.32Å; L121-F123 PolarHBondContact O-N 3.32Å; L121-L124 PolarHBondContact O-N 2.88Å; L121-H125 PolarHBondContact O-CD2 3.25Å; L121-H125 PolarHBondContact O-N 3.06Å |
| 122 | A | 86 | Confident | 78.5 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A118 D119 L120 H125 S126 | A118-A122 VanDerWaalsContact O-CB 3.32Å; A118-A122 WeakPolarHBondContact O-CB 3.44Å; A118-A122 PolarHBondContact O-N 3.29Å; D119-A122 PolarHBondContact O-N 2.03Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 2.9Å; A122-H125 PolarHBondContact O-N 3.38Å; A122-S126 WeakPolarHBondContact O-CB 3.4Å; A122-S126 PolarHBondContact O-N 3.38Å |
| 123 | F | 86.1 | Confident | 79.5 | Confident | 112 Ų | 112 | 73.2 Ų | 73.2 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.7 | 173.1 | -97.5 | 0 | 0 | 0 | 111.7 | D119 L120 L121 H125 S126 Q127 | D119-F123 WeakPolarHBondContact O-CB 3.45Å; D119-F123 PolarHBondContact O-N 3.11Å; L120-F123 WeakPolarHBondContact O-CB 3.06Å; L120-F123 PolarHBondContact O-N 3.04Å; L121-F123 VanDerWaalsContact C-N 3.32Å; L121-F123 PolarHBondContact O-N 3.32Å; F123-H125 PolarHBondContact O-N 3.21Å; F123-S126 WeakPolarHBondContact O-CB 3.37Å; F123-S126 PolarHBondContact O-N 3.32Å; F123-S126 VanDerWaalsContact O-N 3.13Å; F123-S126 PolarHBondContact O-OG 2.88Å; F123-Q127 HydrophobicContact CD1-CG 4.46Å; F123-Q127 HydrophobicContact CE1-CG 4.01Å; F123-Q127 VanDerWaalsContact CE2-NE2 3.29Å; F123-Q127 HydrophobicContact CZ-CG 4.05Å; F123-Q127 VanDerWaalsContact CZ-NE2 3.33Å; F123-Q127 WeakPolarHBondContact O-CG 3.49Å; F123-Q127 PolarHBondContact O-N 2.92Å; F123-Q127 VanDerWaalsContact O-N 3.08Å |
| 124 | L | 85.4 | Confident | 80.4 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 179.3 | -62.5 | 177.8 | 0 | 0 | 0 | 111.8 | L120 L121 S126 Q127 V128 P244 P247 M249 | L120-L124 HydrophobicContact CD1-CG 4.38Å; L120-L124 HydrophobicContact CG-CD1 4.44Å; L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 3.36Å; L121-L124 PolarHBondContact O-N 2.88Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.19Å; L124-Q127 WeakPolarHBondContact O-CB 3.4Å; L124-Q127 PolarHBondContact O-N 3.49Å; L124-Q127 VanDerWaalsContact O-N 3.11Å; L124-V128 PolarHBondContact O-N 2.97Å; L124-P244 HydrophobicContact CB-CG 4.37Å; L124-P244 HydrophobicContact CD2-CB 3.89Å; L124-P244 HydrophobicContact CD2-CG 3.65Å; L124-P244 HydrophobicContact CG-CG 4.41Å; L124-P247 HydrophobicContact CD1-CG 4.33Å; L124-M249 HydrophobicContact CB-CE 4.27Å; L124-M249 HydrophobicContact CB-SD 3.65Å; L124-M249 HydrophobicContact CD1-SD 4.41Å |
| 125 | H | 85.7 | Confident | 81.4 | Confident | 101 Ų | 101 | 68 Ų | 68 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 172.2 | -77.7 | -63.2 | 0 | 0 | 0 | 111.8 | L121 A122 F123 Q127 V128 D129 M249 | L121-H125 PolarHBondContact O-CD2 3.25Å; L121-H125 PolarHBondContact O-N 3.06Å; A122-H125 PolarHBondContact O-N 3.38Å; F123-H125 PolarHBondContact O-N 3.21Å; H125-Q127 PolarHBondContact O-N 3.33Å; H125-V128 WeakPolarHBondContact O-CB 3.4Å; H125-V128 PolarHBondContact O-N 3.33Å; H125-V128 VanDerWaalsContact O-N 3.09Å; H125-D129 PolarHBondContact O-N 2.99Å; H125-M249 WeakPolarHBondContact CE1-CE 3.48Å |
| 126 | S | 84.8 | Confident | 82.3 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -27.4 | 176 | 84.5 | 0 | 0 | 0 | 0 | 113.5 | A122 F123 L124 K130 | A122-S126 WeakPolarHBondContact O-CB 3.4Å; A122-S126 PolarHBondContact O-N 3.38Å; F123-S126 WeakPolarHBondContact O-CB 3.37Å; F123-S126 PolarHBondContact O-N 3.32Å; F123-S126 VanDerWaalsContact O-N 3.13Å; F123-S126 PolarHBondContact O-OG 2.88Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.19Å; S126-K130 WeakPolarHBondContact O-CD 3.42Å; S126-K130 VanDerWaalsContact O-CG 3.25Å; S126-K130 WeakPolarHBondContact O-CG 3.33Å; S126-K130 PolarHBondContact O-N 3.37Å |
| 127 | Q | 82.7 | Confident | 83 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.2 | -39 | 173.9 | -63.5 | -57.3 | -43.5 | 0 | 0 | 111.5 | F123 L124 H125 D129 K130 A131 F242 P244 | F123-Q127 HydrophobicContact CD1-CG 4.46Å; F123-Q127 HydrophobicContact CE1-CG 4.01Å; F123-Q127 VanDerWaalsContact CE2-NE2 3.29Å; F123-Q127 HydrophobicContact CZ-CG 4.05Å; F123-Q127 VanDerWaalsContact CZ-NE2 3.33Å; F123-Q127 WeakPolarHBondContact O-CG 3.49Å; F123-Q127 PolarHBondContact O-N 2.92Å; F123-Q127 VanDerWaalsContact O-N 3.08Å; L124-Q127 WeakPolarHBondContact O-CB 3.4Å; L124-Q127 PolarHBondContact O-N 3.49Å; L124-Q127 VanDerWaalsContact O-N 3.11Å; H125-Q127 PolarHBondContact O-N 3.33Å; Q127-D129 VanDerWaalsContact C-N 3.32Å; Q127-K130 PolarHBondContact O-N 2.92Å; Q127-A131 PolarHBondContact O-N 3.49Å; Q127-F242 HydrophobicContact CB-CE1 4.29Å; Q127-P244 HydrophobicContact CB-CB 4.47Å |
| 128 | V | 84.1 | Confident | 83.8 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | L124 H125 K130 A131 F242 M249 V251 | L124-V128 PolarHBondContact O-N 2.97Å; H125-V128 WeakPolarHBondContact O-CB 3.4Å; H125-V128 PolarHBondContact O-N 3.33Å; H125-V128 VanDerWaalsContact O-N 3.09Å; V128-K130 VanDerWaalsContact C-N 3.27Å; V128-K130 PolarHBondContact O-N 3.39Å; V128-A131 PolarHBondContact O-N 3.3Å; V128-A131 VanDerWaalsContact O-N 3.16Å; V128-F242 HydrophobicContact CB-CD1 4.33Å; V128-F242 HydrophobicContact CG2-CB 4.16Å; V128-F242 HydrophobicContact CG2-CD1 3.5Å; V128-F242 VanDerWaalsContact CG2-CD1 3.5Å; V128-F242 HydrophobicContact CG2-CE1 4.21Å; V128-F242 HydrophobicContact CG2-CG 4.09Å; V128-M249 HydrophobicContact CG2-SD 4.34Å; V128-V251 HydrophobicContact CG1-CG1 4.01Å; V128-V251 HydrophobicContact CG1-CG2 3.76Å |
| 129 | D | 82.2 | Confident | 84.2 | Confident | 115 Ų | 115 | 62 Ų | 62 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -30 | -179.4 | -67.5 | -27 | 0 | 0 | 0 | 113 | H125 Q127 | H125-D129 PolarHBondContact O-N 2.99Å; Q127-D129 VanDerWaalsContact C-N 3.32Å |
| 130 | K | 79.8 | Confident | 84.5 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -81.3 | -21.1 | 175.7 | -72.6 | 170.8 | -174.2 | 172.3 | 0 | 113.3 | S126 Q127 V128 K220 | S126-K130 WeakPolarHBondContact O-CD 3.42Å; S126-K130 VanDerWaalsContact O-CG 3.25Å; S126-K130 WeakPolarHBondContact O-CG 3.33Å; S126-K130 PolarHBondContact O-N 3.37Å; Q127-K130 PolarHBondContact O-N 2.92Å; V128-K130 VanDerWaalsContact C-N 3.27Å; V128-K130 PolarHBondContact O-N 3.39Å; K130-K220 HydrophobicContact CB-CD 4.47Å; K130-K220 WeakPolarHBondContact O-CE 3.07Å; K130-K220 PolarHBondContact O-NZ 3.03Å |
| 131 | A | 80.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -75.7 | 153.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q127 V128 V133 K220 F242 | Q127-A131 PolarHBondContact O-N 3.49Å; V128-A131 PolarHBondContact O-N 3.3Å; V128-A131 VanDerWaalsContact O-N 3.16Å; A131-V133 HydrophobicContact CB-CG2 3.7Å; A131-V133 PolarHBondContact O-N 2.99Å; A131-K220 HydrophobicContact CB-CD 4.08Å; A131-F242 HydrophobicContact CB-CD2 4.23Å; A131-F242 HydrophobicContact CB-CE2 3.48Å; A131-F242 VanDerWaalsContact CB-CE2 3.48Å; A131-F242 HydrophobicContact CB-CZ 3.69Å |
| 132 | E | 82.1 | Confident | 85.1 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 58 | -179.9 | -166.1 | -168.1 | -179.9 | 0 | 0 | 111.1 | A135 G136 V137 R215 E217 I463 | E132-A135 VanDerWaalsContact CG-O 3.29Å; E132-A135 WeakPolarHBondContact CG-O 3.05Å; E132-G136 WeakPolarHBondContact OE1-CA 3.34Å; E132-V137 HydrophobicContact CB-CG2 4.33Å; E132-V137 HydrophobicContact CG-CG2 4.2Å; E132-R215 IonicContact OE2-CZ 3.3Å; E132-R215 VanDerWaalsContact OE2-CZ 3.31Å; E132-R215 IonicContact OE2-NH1 2.99Å; E132-R215 PolarHBondContact OE2-NH1 3.31Å; E132-R215 IonicContact OE2-NH2 3.71Å; E132-R215 PolarHBondContact OE2-NH2 3.16Å; E132-E217 PolarHBondContact N-OE1 2.69Å; E132-I463 HydrophobicContact CG-CG1 4.46Å |
| 133 | V | 79.7 | Confident | 85.3 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -41.4 | -176.2 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | A131 L223 V240 F242 V251 | A131-V133 HydrophobicContact CB-CG2 3.7Å; A131-V133 PolarHBondContact O-N 2.99Å; V133-L223 HydrophobicContact CG1-CD1 4.03Å; V133-L223 HydrophobicContact CG2-CD1 3.94Å; V133-L223 HydrophobicContact CG2-CD2 4.33Å; V133-V240 HydrophobicContact CG1-CG1 3.79Å; V133-F242 HydrophobicContact CG2-CD2 4.27Å; V133-V251 HydrophobicContact CG1-CB 4.4Å; V133-V251 HydrophobicContact CG1-CG1 3.73Å |
| 134 | H | 79.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -96.4 | -35.6 | -174.1 | -64.5 | -57 | 0 | 0 | 0 | 113.4 | K379 | H134-K379 VanDerWaalsContact O-CE 3.27Å; H134-K379 WeakPolarHBondContact O-CE 3.3Å |
| 135 | A | 81.8 | Confident | 85.7 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 51% | 0.512 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -144.1 | 155 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E132 | E132-A135 VanDerWaalsContact CG-O 3.29Å; E132-A135 WeakPolarHBondContact CG-O 3.05Å |
| 136 | G | 83.3 | Confident | 86 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 147.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E132 N461 I463 | E132-G136 WeakPolarHBondContact OE1-CA 3.34Å; G136-N461 PolarHBondContact N-O 2.9Å; G136-I463 VanDerWaalsContact N-CG1 3.32Å |
| 137 | V | 87.6 | Confident | 86.4 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 137 | 172.7 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | E132 L139 | E132-V137 HydrophobicContact CB-CG2 4.33Å; E132-V137 HydrophobicContact CG-CG2 4.2Å; V137-L139 HydrophobicContact CG1-CD2 4.3Å; V137-L139 PolarHBondContact O-N 2.84Å |
| 138 | K | 92.3 | Very high | 87 | Confident | 135 Ų | 135 | 57.9 Ų | 57.9 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 120.9 | 174.5 | -67.5 | -176.9 | -179.7 | -179.1 | 0 | 110.1 | L458 H459 N461 | K138-L458 CarbonylContact C-O 3.54Å; K138-L458 VanDerWaalsContact CA-O 3.3Å; K138-L458 WeakPolarHBondContact CA-O 3.38Å; K138-H459 WeakPolarHBondContact CE-O 3.38Å; K138-N461 WeakPolarHBondContact CE-OD1 3.3Å |
| 139 | L | 91.8 | Very high | 87.4 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | trans | -113.3 | 134 | -178 | -63.6 | 175.1 | 0 | 0 | 0 | 110.5 | V137 T141 A144 A145 L458 H459 | V137-L139 HydrophobicContact CG1-CD2 4.3Å; V137-L139 PolarHBondContact O-N 2.84Å; L139-T141 PolarHBondContact O-N 3.37Å; L139-A144 HydrophobicContact CB-CB 4.33Å; L139-A144 HydrophobicContact CD2-CB 4.2Å; L139-A145 HydrophobicContact CD1-CB 3.9Å; L139-L458 HydrophobicContact CB-CB 4.27Å; L139-L458 HydrophobicContact CB-CD2 4.4Å; L139-L458 HydrophobicContact CD1-CD2 4Å; L139-L458 PolarHBondContact N-O 2.82Å; L139-H459 PolarHBondContact O-CD2 3.41Å; L139-H459 PolarHBondContact O-NE2 3.25Å | ||
| 140 | A | 89.9 | Confident | 88.1 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 65% | 0.653 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -62.8 | -41.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H459 | A140-H459 PolarHBondContact O-NE2 2.87Š|
| 141 | T | 91.4 | Very high | 88.8 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -143 | 165.1 | -176.6 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | L139 Y143 A144 | L139-T141 PolarHBondContact O-N 3.37Å; T141-Y143 PolarHBondContact O-N 2.86Å; T141-Y143 PolarHBondContact OG1-N 3.16Å; T141-A144 PolarHBondContact O-N 3.15Å; T141-A144 VanDerWaalsContact O-N 3.13Å |
| 142 | E | 90.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -57.6 | -26.4 | 174.2 | 67.6 | -83.3 | -157.4 | 0 | 0 | 113.7 | A144 A145 F423 Y454 R455 L458 | E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 2.95Å; E142-A145 WeakPolarHBondContact O-CB 3.47Å; E142-A145 PolarHBondContact O-N 3.05Å; E142-F423 HydrophobicContact CB-CZ 4.19Å; E142-F423 HydrophobicContact CG-CZ 4.39Å; E142-Y454 HydrophobicContact CB-CD1 3.77Å; E142-Y454 HydrophobicContact CB-CE1 3.61Å; E142-R455 VanDerWaalsContact CD-NH2 3.28Å; E142-R455 IonicContact OE1-CZ 2.9Å; E142-R455 IonicContact OE1-NE 3.2Å; E142-R455 IonicContact OE1-NH2 3.25Å; E142-R455 PolarHBondContact OE1-NH2 3.11Å; E142-R455 IonicContact OE2-CZ 3.38Å; E142-R455 VanDerWaalsContact OE2-CZ 3.26Å; E142-R455 IonicContact OE2-NE 3.33Å; E142-R455 PolarHBondContact OE2-NE 3.22Å; E142-R455 IonicContact OE2-NH2 2.65Å; E142-R455 PolarHBondContact OE2-NH2 3.22Å; E142-L458 HydrophobicContact CB-CD1 4.32Å |
| 143 | Y | 89.8 | Confident | 89.9 | Confident | 194 Ų | 194 | 50.7 Ų | 50.7 | 76% | 0.761 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -76.4 | -18 | -180 | -55.3 | -69.3 | 0 | 0 | 0 | 113.2 | T141 A145 | T141-Y143 PolarHBondContact O-N 2.86Å; T141-Y143 PolarHBondContact OG1-N 3.16Å; Y143-A145 VanDerWaalsContact C-N 3.34Å |
| 144 | A | 89.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -83.9 | -13.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L139 T141 E142 V146 | L139-A144 HydrophobicContact CB-CB 4.33Å; L139-A144 HydrophobicContact CD2-CB 4.2Å; T141-A144 PolarHBondContact O-N 3.15Å; T141-A144 VanDerWaalsContact O-N 3.13Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 2.95Å; A144-V146 PolarHBondContact O-N 3.37Å |
| 145 | A | 90.2 | Very high | 90.8 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 116.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L139 E142 Y143 P147 L458 | L139-A145 HydrophobicContact CD1-CB 3.9Å; E142-A145 WeakPolarHBondContact O-CB 3.47Å; E142-A145 PolarHBondContact O-N 3.05Å; Y143-A145 VanDerWaalsContact C-N 3.34Å; A145-P147 WeakPolarHBondContact O-CD 3.49Å; A145-L458 HydrophobicContact CB-CD2 4.06Å |
| 146 | V | 91.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 42% | 0.418 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 120 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 107.7 | A144 R215 | A144-V146 PolarHBondContact O-N 3.37Å; V146-R215 HydrophobicContact CB-CG 4.24Å; V146-R215 HydrophobicContact CG1-CG 3.6Å; V146-R215 WeakPolarHBondContact O-CD 3.32Å; V146-R215 PolarHBondContact O-NH1 2.98Å; V146-R215 VanDerWaalsContact O-NH1 3.12Å |
| 147 | P | 93.4 | Very high | 91.7 | Very high | 37 Ų | 37 | 52 Ų | 52 | 24% | 0.24 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 161.6 | 178.2 | 33.2 | -34.9 | 0 | 0 | 0 | 111.4 | A145 L159 R215 R466 | A145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-L159 HydrophobicContact CB-CD1 3.56Å; P147-L159 HydrophobicContact CG-CD1 3.69Å; P147-R215 WeakPolarHBondContact O-CG 3.36Å; P147-R466 HydrophobicContact CB-CB 4.49Å; P147-R466 HydrophobicContact CB-CG 4.32Å |
| 148 | F | 95.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 141.3 | 169.2 | -69.7 | -104.4 | 0 | 0 | 0 | 110.3 | I213 Y214 R215 L223 V465 R466 T467 P468 | F148-I213 HydrophobicContact CB-CB 4.17Å; F148-I213 HydrophobicContact CD1-CB 4.03Å; F148-I213 HydrophobicContact CD1-CD1 3.9Å; F148-I213 HydrophobicContact CD1-CG1 3.96Å; F148-I213 HydrophobicContact CE1-CD1 4.22Å; F148-I213 HydrophobicContact CE1-CG1 4.44Å; F148-I213 HydrophobicContact CG-CB 4.42Å; F148-I213 HydrophobicContact CG-CD1 4.23Å; F148-Y214 CarbonylContact C-O 3.54Å; F148-Y214 VanDerWaalsContact CA-O 3.25Å; F148-Y214 WeakPolarHBondContact CA-O 3.48Å; F148-R215 HydrophobicContact CD1-CB 3.6Å; F148-R215 HydrophobicContact CD2-CB 4.33Å; F148-R215 HydrophobicContact CE1-CB 3.76Å; F148-R215 HydrophobicContact CE2-CB 4.46Å; F148-R215 HydrophobicContact CG-CB 3.89Å; F148-R215 HydrophobicContact CZ-CB 4.2Å; F148-L223 HydrophobicContact CE1-CD2 3.98Å; F148-L223 HydrophobicContact CE1-CG 4.38Å; F148-L223 HydrophobicContact CZ-CD2 3.98Å; F148-V465 HydrophobicContact CD2-CG1 4.43Å; F148-R466 PolarHBondContact N-O 3.47Å; F148-T467 VanDerWaalsContact O-CA 3.26Å; F148-T467 WeakPolarHBondContact O-CA 3.28Å; F148-T467 WeakPolarHBondContact O-CB 3.17Å; F148-T467 PolarHBondContact O-OG1 3.45Å; F148-P468 WeakPolarHBondContact O-CD 3.45Å |
| 149 | D | 94.3 | Very high | 91.4 | Very high | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 155.9 | 158.7 | -73 | -21.9 | 0 | 0 | 0 | 109.2 | Q158 L159 I213 Y214 | D149-Q158 HydrophobicContact CB-CG 4.42Å; D149-Q158 VanDerWaalsContact OD1-CA 3.3Å; D149-Q158 WeakPolarHBondContact OD1-CA 3.31Å; D149-Q158 PolarHBondContact OD2-NE2 2.71Å; D149-L159 PolarHBondContact OD1-N 2.92Å; D149-I213 CarbonylContact O-C 3.58Å; D149-I213 VanDerWaalsContact O-CA 3.25Å; D149-I213 WeakPolarHBondContact O-CA 3.41Å; D149-Y214 HydrophobicContact CB-CD1 4.11Å; D149-Y214 HydrophobicContact CB-CE1 3.5Å; D149-Y214 HydrophobicContact CB-CE2 4.1Å; D149-Y214 VanDerWaalsContact CB-CZ 3.47Å; D149-Y214 WeakPolarHBondContact CB-OH 3.36Å; D149-Y214 PolarHBondContact N-O 2.87Å; D149-Y214 PolarHBondContact O-N 3.19Å; D149-Y214 PolarHBondContact OD2-OH 3.11Å |
| 150 | S | 95.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.6 | 176.2 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | Y157 G212 P468 | S150-Y157 PolarHBondContact N-O 3.44Å; S150-Y157 VanDerWaalsContact N-O 3.09Å; S150-Y157 PolarHBondContact O-N 3.33Å; S150-G212 CarbonylContact C-O 3.52Å; S150-G212 WeakPolarHBondContact CA-O 3.48Å; S150-P468 WeakPolarHBondContact CB-O 3.08Å; S150-P468 PolarHBondContact OG-O 2.84Å |
| 151 | F | 95 | Very high | 89.5 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 156.9 | -178.2 | 67.8 | -76.7 | 0 | 0 | 0 | 113.3 | K155 V156 L180 I184 F209 G212 Y214 L226 | F151-K155 CarbonylContact C-O 3.53Å; F151-K155 VanDerWaalsContact CA-O 3.24Å; F151-K155 WeakPolarHBondContact CA-O 3.4Å; F151-K155 WeakPolarHBondContact CB-O 3.34Å; F151-V156 HydrophobicContact CB-CB 4.42Å; F151-V156 HydrophobicContact CB-CG1 4.4Å; F151-V156 HydrophobicContact CB-CG2 4.1Å; F151-L180 HydrophobicContact CB-CD1 4.39Å; F151-L180 HydrophobicContact CD1-CD2 4.24Å; F151-L180 HydrophobicContact CD2-CB 4.5Å; F151-L180 HydrophobicContact CD2-CD1 4.1Å; F151-L180 HydrophobicContact CD2-CD2 4.36Å; F151-L180 HydrophobicContact CE1-CD2 3.95Å; F151-L180 HydrophobicContact CE2-CB 4.21Å; F151-L180 HydrophobicContact CE2-CD2 4.07Å; F151-L180 HydrophobicContact CE2-CG 4.5Å; F151-L180 HydrophobicContact CG-CD1 4.17Å; F151-L180 HydrophobicContact CG-CD2 4.42Å; F151-L180 HydrophobicContact CZ-CD2 3.84Å; F151-I184 HydrophobicContact CE2-CD1 3.97Å; F151-I184 HydrophobicContact CE2-CG1 4.25Å; F151-F209 HydrophobicContact CD2-CE1 4.18Å; F151-F209 HydrophobicContact CD2-CZ 4.08Å; F151-F209 HydrophobicContact CE2-CE1 4.08Å; F151-F209 AromaticContact CE2-CZ 3.66Å; F151-F209 HydrophobicContact CE2-CZ 3.66Å; F151-F209 HydrophobicContact CZ-CZ 4.14Å; F151-G212 WeakPolarHBondContact CD1-O 3.38Å; F151-G212 VanDerWaalsContact CE1-C 3.47Å; F151-G212 PolarHBondContact N-O 3.11Å; F151-G212 PolarHBondContact O-N 2.95Å; F151-Y214 AromaticContact CD1-CD1 3.66Å; F151-Y214 HydrophobicContact CD1-CD1 3.66Å; F151-Y214 HydrophobicContact CD1-CE1 4.15Å; F151-Y214 AromaticContact CE1-CD1 3.75Å; F151-Y214 HydrophobicContact CE1-CD1 3.75Å; F151-L226 HydrophobicContact CE1-CD2 4.13Å; F151-L226 HydrophobicContact CE2-CD2 4.25Å; F151-L226 HydrophobicContact CZ-CD2 3.43Å; F151-L226 VanDerWaalsContact CZ-CD2 3.43Å |
| 152 | T | 94.1 | Very high | 88.2 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | trans | -117.1 | -177.7 | 165.4 | 74.3 | 0 | 0 | 0 | 0 | 108.7 | Q154 K155 Y157 | T152-Q154 PolarHBondContact O-N 2.84Å; T152-Q154 VanDerWaalsContact O-N 3.13Å; T152-Q154 PolarHBondContact OG1-N 3.02Å; T152-Q154 PolarHBondContact OG1-OE1 3.39Å; T152-K155 PolarHBondContact N-O 3.23Å; T152-K155 PolarHBondContact OG1-N 3.38Å; T152-Y157 HydrophobicContact CG2-CE2 4.47Å | ||
| 153 | L | 90.5 | Very high | 86.5 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -56.8 | -28 | 173.2 | -63.6 | -178.9 | 0 | 0 | 0 | 113.2 | I184 A206 F209 | L153-I184 HydrophobicContact CD2-CD1 3.86Å; L153-A206 HydrophobicContact CD1-CB 4.21Å; L153-A206 WeakPolarHBondContact CD1-O 3.45Å; L153-A206 HydrophobicContact CD2-CB 4.36Å; L153-F209 HydrophobicContact CD2-CB 4.27Å; L153-F209 HydrophobicContact CD2-CD1 3.55Å; L153-F209 HydrophobicContact CD2-CE1 4.27Å; L153-F209 HydrophobicContact CD2-CG 4.27Å; L153-F209 HydrophobicContact CG-CD1 3.84Å |
| 154 | Q | 88.2 | Confident | 85.2 | Confident | 120 Ų | 120 | 49 Ų | 49 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -105.8 | -24.5 | -169.2 | -55.4 | 84.3 | 5.5 | 0 | 0 | 113.5 | T152 P171 | T152-Q154 PolarHBondContact O-N 2.84Å; T152-Q154 VanDerWaalsContact O-N 3.13Å; T152-Q154 PolarHBondContact OG1-N 3.02Å; T152-Q154 PolarHBondContact OG1-OE1 3.39Å; Q154-P171 WeakPolarHBondContact O-CD 3.44Å |
| 155 | K | 90.8 | Very high | 84.3 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 30% | 0.3 | 29% | 0.291 | S | S | . | . | trans | -144 | 144.7 | -163.9 | -68.4 | 173.9 | 169.8 | -161.5 | 0 | 111.2 | F151 T152 Y157 E168 E169 | F151-K155 CarbonylContact C-O 3.53Å; F151-K155 VanDerWaalsContact CA-O 3.24Å; F151-K155 WeakPolarHBondContact CA-O 3.4Å; F151-K155 WeakPolarHBondContact CB-O 3.34Å; T152-K155 PolarHBondContact N-O 3.23Å; T152-K155 PolarHBondContact OG1-N 3.38Å; K155-Y157 HydrophobicContact CB-CE2 4.14Å; K155-Y157 WeakPolarHBondContact CD-OH 3.4Å; K155-E168 HydrophobicContact CB-CG 4.3Å; K155-E168 HydrophobicContact CD-CG 3.94Å; K155-E168 VanDerWaalsContact CD-OE2 3.3Å; K155-E168 WeakPolarHBondContact CD-OE2 3.48Å; K155-E168 WeakPolarHBondContact CE-OE1 3.27Å; K155-E168 WeakPolarHBondContact CE-OE2 3.39Å; K155-E168 HydrophobicContact CG-CG 4.17Å; K155-E168 IonicContact NZ-OE1 3.11Å; K155-E168 PolarHBondContact NZ-OE1 2.81Å; K155-E168 IonicContact NZ-OE2 3.92Å; K155-E168 PolarHBondContact NZ-OE2 3.41Å; K155-E169 WeakPolarHBondContact CA-O 3.33Å | ||
| 156 | V | 91.8 | Very high | 83.9 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.2 | 172.1 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | F151 Q158 E169 P171 L180 Y214 | F151-V156 HydrophobicContact CB-CB 4.42Å; F151-V156 HydrophobicContact CB-CG1 4.4Å; F151-V156 HydrophobicContact CB-CG2 4.1Å; V156-Q158 HydrophobicContact CG1-CG 3.67Å; V156-E169 PolarHBondContact N-O 3.2Å; V156-E169 PolarHBondContact O-N 2.91Å; V156-P171 HydrophobicContact CG2-CB 4.09Å; V156-L180 HydrophobicContact CG2-CD1 3.6Å; V156-Y214 HydrophobicContact CG1-CE1 4.36Å |
| 157 | Y | 92.7 | Very high | 83.6 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.4 | 178.8 | -53.8 | -76.1 | 0 | 0 | 0 | 108.3 | S150 T152 K155 E168 I411 W418 R470 | S150-Y157 PolarHBondContact N-O 3.44Å; S150-Y157 VanDerWaalsContact N-O 3.09Å; S150-Y157 PolarHBondContact O-N 3.33Å; T152-Y157 HydrophobicContact CG2-CE2 4.47Å; K155-Y157 HydrophobicContact CB-CE2 4.14Å; K155-Y157 WeakPolarHBondContact CD-OH 3.4Å; Y157-E168 HydrophobicContact CD1-CB 4.02Å; Y157-E168 HydrophobicContact CD1-CG 4.13Å; Y157-E168 HydrophobicContact CE1-CB 3.88Å; Y157-E168 HydrophobicContact CE1-CG 3.61Å; Y157-E168 WeakPolarHBondContact CE1-OE2 3.43Å; Y157-E168 PolarHBondContact OH-OE2 2.98Å; Y157-I411 HydrophobicContact CE1-CD1 4.06Å; Y157-W418 HydrophobicContact CD1-CH2 4.49Å; Y157-W418 AromaticContact CD1-CZ2 3.68Å; Y157-W418 HydrophobicContact CD1-CZ2 3.68Å; Y157-W418 HydrophobicContact CE1-CZ2 4.48Å; Y157-W418 HydrophobicContact CG-CZ2 4.15Å; Y157-R470 HydrophobicContact CE1-CB 4.13Å; Y157-R470 HydrophobicContact CE2-CB 3.99Å; Y157-R470 HydrophobicContact CE2-CG 4.41Å; Y157-R470 WeakPolarHBondContact OH-CD 3.44Å |
| 158 | Q | 87.6 | Confident | 83.3 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | trans | -122.3 | 144.1 | -173.6 | -51.4 | -165.4 | -85 | 0 | 0 | 110.9 | D149 V156 T161 Y214 W418 | D149-Q158 HydrophobicContact CB-CG 4.42Å; D149-Q158 VanDerWaalsContact OD1-CA 3.3Å; D149-Q158 WeakPolarHBondContact OD1-CA 3.31Å; D149-Q158 PolarHBondContact OD2-NE2 2.71Å; V156-Q158 HydrophobicContact CG1-CG 3.67Å; Q158-T161 VanDerWaalsContact O-CG2 3.3Å; Q158-T161 WeakPolarHBondContact O-CG2 3.45Å; Q158-Y214 PolarHBondContact NE2-OH 2.64Å; Q158-W418 VanDerWaalsContact O-CD1 3.23Å | ||
| 159 | L | 85.1 | Confident | 82.7 | Confident | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -80.7 | -48.3 | 170.5 | -61.3 | 178.4 | 0 | 0 | 0 | 110.5 | P147 D149 T161 V385 W418 D420 P468 | P147-L159 HydrophobicContact CB-CD1 3.56Å; P147-L159 HydrophobicContact CG-CD1 3.69Å; D149-L159 PolarHBondContact OD1-N 2.92Å; L159-T161 PolarHBondContact O-N 3.32Å; L159-T161 VanDerWaalsContact O-N 3.12Å; L159-V385 HydrophobicContact CD1-CG2 4.09Å; L159-V385 HydrophobicContact CD2-CB 4.02Å; L159-V385 HydrophobicContact CD2-CG1 3.63Å; L159-V385 HydrophobicContact CD2-CG2 4.15Å; L159-W418 HydrophobicContact CD2-CB 3.74Å; L159-W418 HydrophobicContact CD2-CG 4.19Å; L159-D420 HydrophobicContact CD1-CB 4.46Å; L159-D420 HydrophobicContact CD2-CB 4.11Å; L159-P468 HydrophobicContact CD2-CG 3.56Å; L159-P468 HydrophobicContact CG-CG 3.73Å |
| 160 | E | 77.3 | Confident | 82 | Confident | 151 Ų | 151 | 63.2 Ų | 63.2 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | trans | -83.4 | 87.8 | 174.6 | -68.1 | -171 | 179 | 0 | 0 | 110.6 | G162 | E160-G162 VanDerWaalsContact C-N 3.25Å; E160-G162 PolarHBondContact O-N 3.43Å | ||
| 161 | T | 66 | Low | 80.5 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | trans | -87 | 16 | -175.8 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | Q158 L159 L163 T164 R165 H166 | Q158-T161 VanDerWaalsContact O-CG2 3.3Å; Q158-T161 WeakPolarHBondContact O-CG2 3.45Å; L159-T161 PolarHBondContact O-N 3.32Å; L159-T161 VanDerWaalsContact O-N 3.12Å; T161-L163 PolarHBondContact O-N 2.88Å; T161-T164 PolarHBondContact O-N 3Å; T161-T164 PolarHBondContact O-OG1 3.13Å; T161-R165 PolarHBondContact O-N 2.96Å; T161-R165 WeakPolarHBondContact OG1-CA 3.28Å; T161-H166 WeakPolarHBondContact CG2-O 3.47Å | ||
| 162 | G | 62.7 | Low | 78.9 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 66% | 0.66 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | -135.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E160 | E160-G162 VanDerWaalsContact C-N 3.25Å; E160-G162 PolarHBondContact O-N 3.43Å |
| 163 | L | 55.6 | Low | 77.6 | Confident | 177 Ų | 177 | 76.9 Ų | 76.9 | 93% | 0.927 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -22.5 | 178.9 | -66.8 | 174.5 | 0 | 0 | 0 | 113.6 | T161 | T161-L163 PolarHBondContact O-N 2.88Š|
| 164 | T | 62.9 | Low | 76.6 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -35.8 | -176.6 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | T161 H166 E169 K413 | T161-T164 PolarHBondContact O-N 3Å; T161-T164 PolarHBondContact O-OG1 3.13Å; T164-H166 PolarHBondContact O-N 3.04Å; T164-E169 WeakPolarHBondContact CB-OE1 3.06Å; T164-E169 PolarHBondContact OG1-OE1 3.44Å; T164-K413 PolarHBondContact O-NZ 3.05Å |
| 165 | R | 69.7 | Low | 75.8 | Confident | 155 Ų | 155 | 78.4 Ų | 78.4 | 59% | 0.585 | 39% | 0.39 | S | S | * | . | trans | 56.9 | 31.2 | -178.7 | -58.3 | -172.4 | -177.6 | -179.2 | 1.4 | 113 | T161 P167 K413 | T161-R165 PolarHBondContact O-N 2.96Å; T161-R165 WeakPolarHBondContact OG1-CA 3.28Å; R165-P167 WeakPolarHBondContact O-CD 3.45Å; R165-K413 HydrophobicContact CB-CD 4.49Å; R165-K413 WeakPolarHBondContact O-CD 3.29Å; R165-K413 WeakPolarHBondContact O-CG 3.39Å | ||
| 166 | H | 82.8 | Confident | 75.2 | Confident | 77 Ų | 77 | 78.9 Ų | 78.9 | 36% | 0.356 | 39% | 0.392 | S | S | . | . | trans | -90.6 | 117.1 | 176.1 | -69.3 | -58.9 | 0 | 0 | 0 | 109.8 | T161 T164 E168 E169 | T161-H166 WeakPolarHBondContact CG2-O 3.47Å; T164-H166 PolarHBondContact O-N 3.04Å; H166-E168 PolarHBondContact O-N 2.59Å; H166-E169 HydrophobicContact CB-CG 3.64Å | ||
| 167 | P | 84.6 | Confident | 74.7 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -65.1 | -29.1 | -179.5 | -22.8 | 34.5 | 0 | 0 | 0 | 113.3 | R165 F387 I411 W418 | R165-P167 WeakPolarHBondContact O-CD 3.45Å; P167-F387 HydrophobicContact CB-CD2 4.37Å; P167-F387 HydrophobicContact CB-CE2 3.68Å; P167-F387 HydrophobicContact CG-CE2 3.83Å; P167-F387 HydrophobicContact CG-CZ 4.48Å; P167-I411 HydrophobicContact CB-CG2 3.86Å; P167-W418 HydrophobicContact CB-CG 4.46Å; P167-W418 PolarHBondContact O-NE1 2.87Å |
| 168 | E | 86.5 | Confident | 74.4 | Confident | 51 Ų | 51 | 85.8 Ų | 85.8 | 24% | 0.238 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.7 | 175 | 176.3 | -174.3 | 108.7 | 0 | 0 | 107.8 | K155 Y157 H166 I411 | K155-E168 HydrophobicContact CB-CG 4.3Å; K155-E168 HydrophobicContact CD-CG 3.94Å; K155-E168 VanDerWaalsContact CD-OE2 3.3Å; K155-E168 WeakPolarHBondContact CD-OE2 3.48Å; K155-E168 WeakPolarHBondContact CE-OE1 3.27Å; K155-E168 WeakPolarHBondContact CE-OE2 3.39Å; K155-E168 HydrophobicContact CG-CG 4.17Å; K155-E168 IonicContact NZ-OE1 3.11Å; K155-E168 PolarHBondContact NZ-OE1 2.81Å; K155-E168 IonicContact NZ-OE2 3.92Å; K155-E168 PolarHBondContact NZ-OE2 3.41Å; Y157-E168 HydrophobicContact CD1-CB 4.02Å; Y157-E168 HydrophobicContact CD1-CG 4.13Å; Y157-E168 HydrophobicContact CE1-CB 3.88Å; Y157-E168 HydrophobicContact CE1-CG 3.61Å; Y157-E168 WeakPolarHBondContact CE1-OE2 3.43Å; Y157-E168 PolarHBondContact OH-OE2 2.98Å; H166-E168 PolarHBondContact O-N 2.59Å; E168-I411 HydrophobicContact CB-CB 4.37Å; E168-I411 HydrophobicContact CB-CG2 3.75Å |
| 169 | E | 82.6 | Confident | 74.5 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.4 | 174.8 | -64.9 | -169.7 | 168.2 | 0 | 0 | 109.5 | K155 V156 T164 H166 | K155-E169 WeakPolarHBondContact CA-O 3.33Å; V156-E169 PolarHBondContact N-O 3.2Å; V156-E169 PolarHBondContact O-N 2.91Å; T164-E169 WeakPolarHBondContact CB-OE1 3.06Å; T164-E169 PolarHBondContact OG1-OE1 3.44Å; H166-E169 HydrophobicContact CB-CG 3.64Å |
| 170 | K | 79.5 | Confident | 74.8 | Confident | 154 Ų | 154 | 87.4 Ų | 87.4 | 67% | 0.67 | 43% | 0.43 | S | S | * | . | trans | -65.6 | 147 | 155.7 | -70.3 | -177.1 | 179.9 | -177.5 | 0 | 106.5 | V172 | K170-V172 HydrophobicContact CB-CG2 3.74Å; K170-V172 WeakPolarHBondContact O-CG2 3.33Å; K170-V172 PolarHBondContact O-N 3.42Å | ||
| 171 | P | 65.6 | Low | 75.6 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 21% | 0.208 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -69.5 | 72.8 | 170.9 | 30.7 | -34.5 | 0 | 0 | 0 | 109 | Q154 V156 R177 | Q154-P171 WeakPolarHBondContact O-CD 3.44Å; V156-P171 HydrophobicContact CG2-CB 4.09Å; P171-R177 HydrophobicContact CB-CB 3.8Å; P171-R177 HydrophobicContact CB-CG 3.9Å; P171-R177 HydrophobicContact CG-CG 4.05Å; P171-R177 WeakPolarHBondContact O-CB 3.3Å; P171-R177 WeakPolarHBondContact O-CD 3.44Å |
| 172 | V | 59.7 | Low | 76.9 | Confident | 117 Ų | 117 | 85.2 Ų | 85.2 | 71% | 0.709 | 42% | 0.421 | S | S | * | . | trans | -79.7 | -34.3 | -177.1 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | K170 K174 | K170-V172 HydrophobicContact CB-CG2 3.74Å; K170-V172 WeakPolarHBondContact O-CG2 3.33Å; K170-V172 PolarHBondContact O-N 3.42Å; V172-K174 PolarHBondContact O-N 2.88Å | ||
| 173 | R | 66.6 | Low | 78.5 | Confident | 167 Ų | 167 | 82.1 Ų | 82.1 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -68.9 | 115.9 | 175.1 | -143.3 | -169.8 | 153.9 | 149.4 | -2 | 108.5 | D175 K176 R177 | R173-D175 VanDerWaalsContact C-N 3.31Å; R173-D175 WeakPolarHBondContact CB-OD1 3.43Å; R173-D175 WeakPolarHBondContact CD-OD1 3.37Å; R173-D175 WeakPolarHBondContact CG-OD1 3.05Å; R173-D175 IonicContact CZ-OD2 3.34Å; R173-D175 IonicContact NE-OD1 3.11Å; R173-D175 PolarHBondContact NE-OD1 3.37Å; R173-D175 VanDerWaalsContact NE-OD1 3.11Å; R173-D175 IonicContact NE-OD2 2.81Å; R173-D175 PolarHBondContact NE-OD2 2.71Å; R173-D175 IonicContact NH2-OD2 3.22Å; R173-D175 PolarHBondContact NH2-OD2 3.39Å; R173-D175 PolarHBondContact O-N 3.31Å; R173-K176 PolarHBondContact O-N 3.5Å; R173-R177 WeakPolarHBondContact O-CB 3.41Å; R173-R177 PolarHBondContact O-N 3.48Å |
| 174 | K | 69.8 | Low | 80.4 | Confident | 141 Ų | 141 | 74.4 Ų | 74.4 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.1 | -43.4 | -171.5 | 179.8 | 173.6 | -179.8 | -171.4 | 0 | 112.1 | V172 R177 D178 | V172-K174 PolarHBondContact O-N 2.88Å; K174-R177 PolarHBondContact O-N 2.94Å; K174-D178 VanDerWaalsContact CE-OD2 3.28Å; K174-D178 WeakPolarHBondContact CE-OD2 3.38Å; K174-D178 WeakPolarHBondContact CG-OD2 3.46Å; K174-D178 VanDerWaalsContact O-CB 3.28Å; K174-D178 WeakPolarHBondContact O-CB 3.46Å; K174-D178 PolarHBondContact O-N 2.81Å |
| 175 | D | 72.6 | Confident | 82 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.5 | -56.5 | 177.6 | 53.5 | -6 | 0 | 0 | 0 | 112.9 | R173 R177 D178 E179 | R173-D175 VanDerWaalsContact C-N 3.31Å; R173-D175 WeakPolarHBondContact CB-OD1 3.43Å; R173-D175 WeakPolarHBondContact CD-OD1 3.37Å; R173-D175 WeakPolarHBondContact CG-OD1 3.05Å; R173-D175 IonicContact CZ-OD2 3.34Å; R173-D175 IonicContact NE-OD1 3.11Å; R173-D175 PolarHBondContact NE-OD1 3.37Å; R173-D175 VanDerWaalsContact NE-OD1 3.11Å; R173-D175 IonicContact NE-OD2 2.81Å; R173-D175 PolarHBondContact NE-OD2 2.71Å; R173-D175 IonicContact NH2-OD2 3.22Å; R173-D175 PolarHBondContact NH2-OD2 3.39Å; R173-D175 PolarHBondContact O-N 3.31Å; D175-R177 VanDerWaalsContact C-N 3.31Å; D175-R177 PolarHBondContact O-N 3.35Å; D175-D178 PolarHBondContact O-N 3.4Å; D175-E179 WeakPolarHBondContact O-CB 3.42Å; D175-E179 PolarHBondContact O-N 2.84Å |
| 176 | K | 77.5 | Confident | 83.3 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 178.9 | -75.4 | -166.4 | 174.4 | -173.5 | 0 | 112.1 | R173 L180 | R173-K176 PolarHBondContact O-N 3.5Å; K176-L180 WeakPolarHBondContact O-CG 3.44Å; K176-L180 PolarHBondContact O-N 2.82Å; K176-L180 VanDerWaalsContact O-N 3.14Å |
| 177 | R | 82 | Confident | 83.9 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -51.3 | 178.2 | -173.4 | -170.1 | 63.6 | -156.4 | -0.7 | 110.9 | P171 R173 K174 D175 E179 L180 V181 | P171-R177 HydrophobicContact CB-CB 3.8Å; P171-R177 HydrophobicContact CB-CG 3.9Å; P171-R177 HydrophobicContact CG-CG 4.05Å; P171-R177 WeakPolarHBondContact O-CB 3.3Å; P171-R177 WeakPolarHBondContact O-CD 3.44Å; R173-R177 WeakPolarHBondContact O-CB 3.41Å; R173-R177 PolarHBondContact O-N 3.48Å; K174-R177 PolarHBondContact O-N 2.94Å; D175-R177 VanDerWaalsContact C-N 3.31Å; D175-R177 PolarHBondContact O-N 3.35Å; R177-E179 PolarHBondContact O-N 3.37Å; R177-L180 PolarHBondContact O-N 2.86Å; R177-V181 HydrophobicContact CG-CG2 4.35Å; R177-V181 WeakPolarHBondContact O-CB 3.43Å; R177-V181 VanDerWaalsContact O-CG2 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 2.98Å |
| 178 | D | 85.6 | Confident | 84.4 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | -175.7 | -62.2 | -5.9 | 0 | 0 | 0 | 109.5 | K174 D175 V181 E182 | K174-D178 VanDerWaalsContact CE-OD2 3.28Å; K174-D178 WeakPolarHBondContact CE-OD2 3.38Å; K174-D178 WeakPolarHBondContact CG-OD2 3.46Å; K174-D178 VanDerWaalsContact O-CB 3.28Å; K174-D178 WeakPolarHBondContact O-CB 3.46Å; K174-D178 PolarHBondContact O-N 2.81Å; D175-D178 PolarHBondContact O-N 3.4Å; D178-V181 PolarHBondContact O-N 3.45Å; D178-E182 WeakPolarHBondContact O-CB 3.19Å; D178-E182 PolarHBondContact O-N 3.05Å |
| 179 | E | 89.3 | Confident | 84.8 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 172.4 | -176.3 | -170.1 | 155.1 | 0 | 0 | 113.6 | D175 R177 V181 E182 A183 Y224 | D175-E179 WeakPolarHBondContact O-CB 3.42Å; D175-E179 PolarHBondContact O-N 2.84Å; R177-E179 PolarHBondContact O-N 3.37Å; E179-V181 VanDerWaalsContact C-N 3.34Å; E179-E182 PolarHBondContact O-N 3.42Å; E179-A183 PolarHBondContact O-N 2.87Å; E179-A183 VanDerWaalsContact O-N 3.1Å; E179-Y224 WeakPolarHBondContact CG-OH 3.41Å; E179-Y224 PolarHBondContact OE1-OH 2.92Å |
| 180 | L | 92.5 | Very high | 85.3 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 179.8 | -65.6 | 178.3 | 0 | 0 | 0 | 111.9 | F151 V156 K176 R177 A183 I184 Y214 Y224 | F151-L180 HydrophobicContact CB-CD1 4.39Å; F151-L180 HydrophobicContact CD1-CD2 4.24Å; F151-L180 HydrophobicContact CD2-CB 4.5Å; F151-L180 HydrophobicContact CD2-CD1 4.1Å; F151-L180 HydrophobicContact CD2-CD2 4.36Å; F151-L180 HydrophobicContact CE1-CD2 3.95Å; F151-L180 HydrophobicContact CE2-CB 4.21Å; F151-L180 HydrophobicContact CE2-CD2 4.07Å; F151-L180 HydrophobicContact CE2-CG 4.5Å; F151-L180 HydrophobicContact CG-CD1 4.17Å; F151-L180 HydrophobicContact CG-CD2 4.42Å; F151-L180 HydrophobicContact CZ-CD2 3.84Å; V156-L180 HydrophobicContact CG2-CD1 3.6Å; K176-L180 WeakPolarHBondContact O-CG 3.44Å; K176-L180 PolarHBondContact O-N 2.82Å; K176-L180 VanDerWaalsContact O-N 3.14Å; R177-L180 PolarHBondContact O-N 2.86Å; L180-A183 PolarHBondContact O-N 3.43Å; L180-I184 WeakPolarHBondContact O-CG1 3.31Å; L180-I184 PolarHBondContact O-N 2.81Å; L180-I184 VanDerWaalsContact O-N 3.08Å; L180-Y214 HydrophobicContact CD2-CD1 3.86Å; L180-Y214 HydrophobicContact CD2-CE1 3.97Å; L180-Y214 HydrophobicContact CD2-CG 4.4Å; L180-Y224 HydrophobicContact CD2-CE1 4.12Å |
| 181 | V | 92.7 | Very high | 85.9 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | R177 D178 E179 A183 I184 E185 | R177-V181 HydrophobicContact CG-CG2 4.35Å; R177-V181 WeakPolarHBondContact O-CB 3.43Å; R177-V181 VanDerWaalsContact O-CG2 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 2.98Å; D178-V181 PolarHBondContact O-N 3.45Å; E179-V181 VanDerWaalsContact C-N 3.34Å; V181-A183 VanDerWaalsContact C-N 3.28Å; V181-A183 PolarHBondContact O-N 3.26Å; V181-I184 PolarHBondContact O-N 2.93Å; V181-I184 VanDerWaalsContact O-N 3.09Å; V181-E185 HydrophobicContact CG1-CG 4.19Å; V181-E185 WeakPolarHBondContact CG1-OE1 3.41Å; V181-E185 WeakPolarHBondContact O-CB 3.25Å; V181-E185 WeakPolarHBondContact O-CG 3.42Å; V181-E185 PolarHBondContact O-N 2.91Å |
| 182 | E | 94.1 | Very high | 87.2 | Confident | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.9 | -42 | 176.3 | -172.3 | -171 | 164.6 | 0 | 0 | 111.5 | D178 E179 E185 S186 R243 I248 | D178-E182 WeakPolarHBondContact O-CB 3.19Å; D178-E182 PolarHBondContact O-N 3.05Å; E179-E182 PolarHBondContact O-N 3.42Å; E182-E185 PolarHBondContact O-N 2.04Å; E182-S186 VanDerWaalsContact O-CB 3.29Å; E182-S186 WeakPolarHBondContact O-CB 3.35Å; E182-S186 PolarHBondContact O-N 2.83Å; E182-R243 IonicContact OE1-CZ 2.87Å; E182-R243 IonicContact OE1-NH1 2.59Å; E182-R243 IonicContact OE1-NH2 2.91Å; E182-R243 PolarHBondContact OE1-NH2 2.94Å; E182-R243 IonicContact OE2-CZ 3.61Å; E182-R243 VanDerWaalsContact OE2-CZ 3.3Å; E182-R243 IonicContact OE2-NH1 2.79Å; E182-R243 PolarHBondContact OE2-NH1 2.94Å; E182-R243 IonicContact OE2-NH2 3.74Å; E182-R243 PolarHBondContact OE2-NH2 3.43Å; E182-I248 HydrophobicContact CB-CD1 4.41Å; E182-I248 HydrophobicContact CG-CD1 3.91Å |
| 183 | A | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E179 L180 V181 A187 Y224 L226 L241 I248 | E179-A183 PolarHBondContact O-N 2.87Å; E179-A183 VanDerWaalsContact O-N 3.1Å; L180-A183 PolarHBondContact O-N 3.43Å; V181-A183 VanDerWaalsContact C-N 3.28Å; V181-A183 PolarHBondContact O-N 3.26Å; A183-A187 WeakPolarHBondContact O-CB 3.24Å; A183-A187 PolarHBondContact O-N 2.87Å; A183-Y224 HydrophobicContact CB-CD1 4.01Å; A183-Y224 HydrophobicContact CB-CD2 4.47Å; A183-Y224 HydrophobicContact CB-CE1 4.18Å; A183-Y224 HydrophobicContact CB-CG 4.18Å; A183-L226 HydrophobicContact CB-CD1 4.39Å; A183-L226 VanDerWaalsContact O-CD1 3.3Å; A183-L226 WeakPolarHBondContact O-CD1 3.34Å; A183-L241 VanDerWaalsContact O-CD1 3.29Å; A183-L241 WeakPolarHBondContact O-CD1 3.31Å; A183-I248 HydrophobicContact CB-CD1 4.21Å |
| 184 | I | 96.4 | Very high | 89.2 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -43.4 | 176.2 | -67.6 | 160.8 | 0 | 0 | 0 | 110.8 | F151 L153 L180 V181 A187 L188 F209 | F151-I184 HydrophobicContact CE2-CD1 3.97Å; F151-I184 HydrophobicContact CE2-CG1 4.25Å; L153-I184 HydrophobicContact CD2-CD1 3.86Å; L180-I184 WeakPolarHBondContact O-CG1 3.31Å; L180-I184 PolarHBondContact O-N 2.81Å; L180-I184 VanDerWaalsContact O-N 3.08Å; V181-I184 PolarHBondContact O-N 2.93Å; V181-I184 VanDerWaalsContact O-N 3.09Å; I184-A187 WeakPolarHBondContact O-CB 3.32Å; I184-A187 PolarHBondContact O-N 3Å; I184-L188 HydrophobicContact CG2-CD1 4.06Å; I184-L188 HydrophobicContact CG2-CG 4.39Å; I184-L188 WeakPolarHBondContact O-CG 3.36Å; I184-L188 PolarHBondContact O-N 2.86Å; I184-F209 HydrophobicContact CD1-CD1 4.32Å; I184-F209 HydrophobicContact CD1-CE1 4.04Å; I184-F209 HydrophobicContact CD1-CZ 4.36Å; I184-F209 HydrophobicContact CG1-CE1 4.43Å; I184-F209 HydrophobicContact CG1-CZ 4.33Å |
| 185 | E | 95.8 | Very high | 89.5 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 178 | -73.4 | 176.2 | 169.1 | 0 | 0 | 110.9 | V181 E182 A187 L188 E189 | V181-E185 HydrophobicContact CG1-CG 4.19Å; V181-E185 WeakPolarHBondContact CG1-OE1 3.41Å; V181-E185 WeakPolarHBondContact O-CB 3.25Å; V181-E185 WeakPolarHBondContact O-CG 3.42Å; V181-E185 PolarHBondContact O-N 2.91Å; E182-E185 PolarHBondContact O-N 2.04Å; E185-A187 PolarHBondContact O-N 3.31Å; E185-L188 PolarHBondContact O-N 2.93Å; E185-E189 WeakPolarHBondContact O-CG 3.4Å; E185-E189 PolarHBondContact O-N 3.49Å |
| 186 | S | 96.2 | Very high | 89.4 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.5 | -37.4 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | E182 T190 | E182-S186 VanDerWaalsContact O-CB 3.29Å; E182-S186 WeakPolarHBondContact O-CB 3.35Å; E182-S186 PolarHBondContact O-N 2.83Å; S186-T190 WeakPolarHBondContact O-CB 3.31Å; S186-T190 PolarHBondContact O-N 2.79Å; S186-T190 PolarHBondContact O-OG1 2.81Å |
| 187 | A | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | A183 I184 E185 T190 L191 L226 F228 L239 L241 | A183-A187 WeakPolarHBondContact O-CB 3.24Å; A183-A187 PolarHBondContact O-N 2.87Å; I184-A187 WeakPolarHBondContact O-CB 3.32Å; I184-A187 PolarHBondContact O-N 3Å; E185-A187 PolarHBondContact O-N 3.31Å; A187-T190 PolarHBondContact O-N 3.37Å; A187-L191 VanDerWaalsContact O-CB 3.26Å; A187-L191 WeakPolarHBondContact O-CB 3.44Å; A187-L191 WeakPolarHBondContact O-CG 3.42Å; A187-L191 PolarHBondContact O-N 2.69Å; A187-L226 HydrophobicContact CB-CD1 3.56Å; A187-F228 HydrophobicContact CB-CE2 3.86Å; A187-F228 HydrophobicContact CB-CZ 3.79Å; A187-L239 VanDerWaalsContact CA-CD2 3.48Å; A187-L239 HydrophobicContact CB-CB 4.34Å; A187-L239 HydrophobicContact CB-CD2 3.65Å; A187-L239 VanDerWaalsContact O-CD2 3.23Å; A187-L239 WeakPolarHBondContact O-CD2 3.29Å; A187-L241 HydrophobicContact CB-CD1 4.19Å |
| 188 | L | 95.6 | Very high | 88.3 | Confident | 28 Ų | 28 | 55 Ų | 55 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.6 | -71.7 | 172.7 | 0 | 0 | 0 | 111.7 | I184 E185 T190 L191 N192 A206 F228 | I184-L188 HydrophobicContact CG2-CD1 4.06Å; I184-L188 HydrophobicContact CG2-CG 4.39Å; I184-L188 WeakPolarHBondContact O-CG 3.36Å; I184-L188 PolarHBondContact O-N 2.86Å; E185-L188 PolarHBondContact O-N 2.93Å; L188-T190 VanDerWaalsContact C-N 3.34Å; L188-T190 PolarHBondContact O-N 2.93Å; L188-L191 PolarHBondContact O-N 3.25Å; L188-N192 VanDerWaalsContact O-CB 3.29Å; L188-N192 WeakPolarHBondContact O-CB 3.33Å; L188-N192 PolarHBondContact O-N 3.27Å; L188-N192 PolarHBondContact O-ND2 2.79Å; L188-A206 HydrophobicContact CD1-CB 4.42Å; L188-F228 HydrophobicContact CD2-CD1 4.34Å; L188-F228 HydrophobicContact CD2-CE1 3.67Å; L188-F228 HydrophobicContact CD2-CZ 4.38Å; L188-F228 HydrophobicContact CG-CE1 4.22Å |
| 189 | E | 94 | Very high | 87.2 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 66% | 0.659 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.2 | -47.5 | 173.4 | -72.1 | 177.3 | 178.3 | 0 | 0 | 111.1 | E185 L191 N192 N193 | E185-E189 WeakPolarHBondContact O-CG 3.4Å; E185-E189 PolarHBondContact O-N 3.49Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 3.14Å; E189-N192 PolarHBondContact O-N 2.8Å; E189-N193 PolarHBondContact O-N 2.79Å |
| 190 | T | 93.3 | Very high | 86 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.8 | -62 | 0 | 0 | 0 | 0 | 112.1 | S186 A187 L188 N192 L239 K250 | S186-T190 WeakPolarHBondContact O-CB 3.31Å; S186-T190 PolarHBondContact O-N 2.79Å; S186-T190 PolarHBondContact O-OG1 2.81Å; A187-T190 PolarHBondContact O-N 3.37Å; L188-T190 VanDerWaalsContact C-N 3.34Å; L188-T190 PolarHBondContact O-N 2.93Å; T190-N192 VanDerWaalsContact C-N 3.33Å; T190-L239 HydrophobicContact CG2-CD2 3.78Å; T190-K250 HydrophobicContact CG2-CD 3.59Å; T190-K250 HydrophobicContact CG2-CG 4.16Å |
| 191 | L | 91.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.6 | -27.5 | 179.8 | -85.2 | 175 | 0 | 0 | 0 | 113.1 | A187 L188 E189 N197 Y204 F228 K237 L239 | A187-L191 VanDerWaalsContact O-CB 3.26Å; A187-L191 WeakPolarHBondContact O-CB 3.44Å; A187-L191 WeakPolarHBondContact O-CG 3.42Å; A187-L191 PolarHBondContact O-N 2.69Å; L188-L191 PolarHBondContact O-N 3.25Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 3.14Å; L191-N197 PolarHBondContact O-ND2 2.82Å; L191-Y204 HydrophobicContact CB-CD2 3.66Å; L191-Y204 HydrophobicContact CB-CE2 4.25Å; L191-Y204 HydrophobicContact CB-CG 4.1Å; L191-Y204 HydrophobicContact CD1-CD1 4.11Å; L191-Y204 HydrophobicContact CD1-CD2 4.12Å; L191-Y204 HydrophobicContact CD1-CG 3.89Å; L191-Y204 HydrophobicContact CD2-CD2 4.12Å; L191-Y204 HydrophobicContact CD2-CE2 3.9Å; L191-Y204 HydrophobicContact CG-CD2 4.19Å; L191-Y204 HydrophobicContact CG-CE2 4.47Å; L191-Y204 HydrophobicContact CG-CG 4.45Å; L191-F228 HydrophobicContact CD1-CB 4.26Å; L191-F228 HydrophobicContact CD1-CD1 3.95Å; L191-F228 HydrophobicContact CD1-CD2 3.58Å; L191-F228 HydrophobicContact CD1-CE1 4.16Å; L191-F228 HydrophobicContact CD1-CE2 3.8Å; L191-F228 HydrophobicContact CD1-CG 3.66Å; L191-F228 HydrophobicContact CD1-CZ 4.09Å; L191-K237 HydrophobicContact CD2-CB 4.01Å; L191-K237 HydrophobicContact CD2-CG 4.19Å; L191-L239 HydrophobicContact CD1-CD1 3.94Å; L191-L239 HydrophobicContact CD1-CD2 4.43Å; L191-L239 HydrophobicContact CD2-CD1 3.4Å; L191-L239 VanDerWaalsContact CD2-CD1 3.4Å; L191-L239 HydrophobicContact CG-CD1 3.54Å; L191-L239 HydrophobicContact CG-CD2 3.85Å; L191-L239 HydrophobicContact CG-CG 4.38Å |
| 192 | N | 92.4 | Very high | 84.8 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 31% | 0.305 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -102.7 | 1.6 | -179.1 | -67.4 | -33.8 | 0 | 0 | 0 | 113.4 | L188 E189 T190 P194 P203 Y204 | L188-N192 VanDerWaalsContact O-CB 3.29Å; L188-N192 WeakPolarHBondContact O-CB 3.33Å; L188-N192 PolarHBondContact O-N 3.27Å; L188-N192 PolarHBondContact O-ND2 2.79Å; E189-N192 PolarHBondContact O-N 2.8Å; T190-N192 VanDerWaalsContact C-N 3.33Å; N192-P194 WeakPolarHBondContact O-CD 3.28Å; N192-P194 VanDerWaalsContact O-N 3.15Å; N192-P203 WeakPolarHBondContact OD1-CA 3.39Å; N192-Y204 PolarHBondContact ND2-O 3.38Å; N192-Y204 PolarHBondContact OD1-N 2.87Å |
| 193 | N | 89.4 | Confident | 84.6 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.342 | 39% | 0.387 | S | S | . | . | trans | -59.5 | 117.8 | 179.5 | -173.5 | -19.9 | 0 | 0 | 0 | 111 | E189 A195 E196 N197 | E189-N193 PolarHBondContact O-N 2.79Å; N193-A195 PolarHBondContact O-N 3.1Å; N193-A195 WeakPolarHBondContact OD1-CB 3.35Å; N193-A195 PolarHBondContact OD1-N 3.19Å; N193-E196 PolarHBondContact O-N 3.32Å; N193-E196 VanDerWaalsContact O-N 3.11Å; N193-N197 PolarHBondContact O-N 2.93Å; N193-N197 PolarHBondContact O-ND2 2.59Å | ||
| 194 | P | 80.4 | Confident | 84.5 | Confident | 116 Ų | 116 | 69.7 Ų | 69.7 | 75% | 0.753 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22 | -176.1 | 25.8 | -34.9 | 0 | 0 | 0 | 113.2 | N192 E196 | N192-P194 WeakPolarHBondContact O-CD 3.28Å; N192-P194 VanDerWaalsContact O-N 3.15Å; P194-E196 VanDerWaalsContact C-N 3.28Å; P194-E196 PolarHBondContact O-N 3.09Å |
| 195 | A | 75.5 | Confident | 84.5 | Confident | 93 Ų | 93 | 71.9 Ų | 71.9 | 77% | 0.769 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | N193 | N193-A195 PolarHBondContact O-N 3.1Å; N193-A195 WeakPolarHBondContact OD1-CB 3.35Å; N193-A195 PolarHBondContact OD1-N 3.19Å |
| 196 | E | 70.8 | Confident | 84.4 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -2.9 | -175.8 | -67.1 | -167.6 | -173.8 | 0 | 0 | 113.9 | N193 P194 K250 K253 | N193-E196 PolarHBondContact O-N 3.32Å; N193-E196 VanDerWaalsContact O-N 3.11Å; P194-E196 VanDerWaalsContact C-N 3.28Å; P194-E196 PolarHBondContact O-N 3.09Å; E196-K250 IonicContact OE1-NZ 3.6Å; E196-K250 PolarHBondContact OE1-NZ 2.96Å; E196-K250 IonicContact OE2-NZ 2.74Å; E196-K250 PolarHBondContact OE2-NZ 3.26Å; E196-K253 IonicContact OE2-NZ 3.1Å |
| 197 | N | 70.9 | Confident | 84.3 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 19% | 0.187 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -122.7 | 149.3 | -173.7 | -63.1 | -40.6 | 0 | 0 | 0 | 111.9 | L191 N193 K253 | L191-N197 PolarHBondContact O-ND2 2.82Å; N193-N197 PolarHBondContact O-N 2.93Å; N193-N197 PolarHBondContact O-ND2 2.59Å; N197-K253 PolarHBondContact OD1-NZ 3.4Å |
| 198 | S | 65.3 | Low | 84.3 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 63% | 0.629 | 42% | 0.422 | S | S | * | . | trans | -65.8 | 144.6 | 171.2 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | N200 H201 | S198-N200 PolarHBondContact O-N 2.75Å; S198-H201 WeakPolarHBondContact O-CB 3.38Å; S198-H201 PolarHBondContact O-N 2.77Å | ||
| 199 | P | 62.3 | Low | 84.3 | Confident | 132 Ų | 132 | 72 Ų | 72 | 86% | 0.857 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.5 | -175.8 | 20 | -31.1 | 0 | 0 | 0 | 114.6 | ||
| 200 | N | 63.9 | Low | 84.4 | Confident | 159 Ų | 159 | 67.7 Ų | 67.7 | 85% | 0.85 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 13.5 | 179.9 | -69.3 | -6.8 | 0 | 0 | 0 | 114 | S198 | S198-N200 PolarHBondContact O-N 2.75Š|
| 201 | H | 74.1 | Confident | 84.6 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 21% | 0.213 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 135.1 | 179.8 | -167.5 | 51.6 | 0 | 0 | 0 | 111.6 | S198 Y204 D231 | S198-H201 WeakPolarHBondContact O-CB 3.38Å; S198-H201 PolarHBondContact O-N 2.77Å; H201-Y204 AromaticContact CD2-CE2 3.69Å; H201-Y204 AromaticContact CE1-CE2 3.95Å; H201-Y204 AromaticContact CE1-CZ 3.95Å; H201-Y204 PolarHBondContact CE1-OH 2.85Å; H201-Y204 VanDerWaalsContact CE1-OH 3.27Å; H201-Y204 AromaticContact NE2-CD2 3.88Å; H201-Y204 AromaticContact NE2-CE2 2.89Å; H201-Y204 WeakPolarHBondContact NE2-CE2 3.47Å; H201-Y204 AromaticContact NE2-CZ 3.28Å; H201-Y204 VanDerWaalsContact NE2-CZ 3.28Å; H201-Y204 PolarHBondContact NE2-OH 2.97Å; H201-D231 IonicContact CE1-OD1 3.65Å; H201-D231 PolarHBondContact CE1-OD1 3.35Å; H201-D231 IonicContact CE1-OD2 2.82Å; H201-D231 PolarHBondContact CE1-OD2 3.23Å; H201-D231 VanDerWaalsContact CE1-OD2 3.25Å; H201-D231 IonicContact ND1-OD1 3.26Å; H201-D231 IonicContact ND1-OD2 3.94Å |
| 202 | R | 86.5 | Confident | 84.8 | Confident | 143 Ų | 143 | 67.8 Ų | 67.8 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 133.1 | 172.2 | 172.2 | -173.3 | 149.7 | 154.1 | -5.4 | 108.8 | D208 | R202-D208 IonicContact CZ-OD1 3.8Å; R202-D208 IonicContact NH2-OD1 3.81Å; R202-D208 PolarHBondContact NH2-OD1 2.91Å; R202-D208 IonicContact NH2-OD2 2.98Å; R202-D208 PolarHBondContact NH2-OD2 3.1Å |
| 203 | P | 89.6 | Confident | 85 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66 | 137.5 | 175.2 | 27.2 | -33.6 | 0 | 0 | 0 | 110.8 | N192 | N192-P203 WeakPolarHBondContact OD1-CA 3.39Š|
| 204 | Y | 94.2 | Very high | 85.3 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 142.4 | 169.5 | -67.4 | -91.7 | 0 | 0 | 0 | 110.4 | L191 N192 H201 D208 F228 K229 K237 | L191-Y204 HydrophobicContact CB-CD2 3.66Å; L191-Y204 HydrophobicContact CB-CE2 4.25Å; L191-Y204 HydrophobicContact CB-CG 4.1Å; L191-Y204 HydrophobicContact CD1-CD1 4.11Å; L191-Y204 HydrophobicContact CD1-CD2 4.12Å; L191-Y204 HydrophobicContact CD1-CG 3.89Å; L191-Y204 HydrophobicContact CD2-CD2 4.12Å; L191-Y204 HydrophobicContact CD2-CE2 3.9Å; L191-Y204 HydrophobicContact CG-CD2 4.19Å; L191-Y204 HydrophobicContact CG-CE2 4.47Å; L191-Y204 HydrophobicContact CG-CG 4.45Å; N192-Y204 PolarHBondContact ND2-O 3.38Å; N192-Y204 PolarHBondContact OD1-N 2.87Å; H201-Y204 AromaticContact CD2-CE2 3.69Å; H201-Y204 AromaticContact CE1-CE2 3.95Å; H201-Y204 AromaticContact CE1-CZ 3.95Å; H201-Y204 PolarHBondContact CE1-OH 2.85Å; H201-Y204 VanDerWaalsContact CE1-OH 3.27Å; H201-Y204 AromaticContact NE2-CD2 3.88Å; H201-Y204 AromaticContact NE2-CE2 2.89Å; H201-Y204 WeakPolarHBondContact NE2-CE2 3.47Å; H201-Y204 AromaticContact NE2-CZ 3.28Å; H201-Y204 VanDerWaalsContact NE2-CZ 3.28Å; H201-Y204 PolarHBondContact NE2-OH 2.97Å; Y204-D208 HydrophobicContact CD1-CB 4.02Å; Y204-F228 HydrophobicContact CD1-CB 4.17Å; Y204-F228 HydrophobicContact CE1-CB 4.3Å; Y204-K229 VanDerWaalsContact CE1-O 3.3Å; Y204-K229 WeakPolarHBondContact CE1-O 3.28Å; Y204-K237 HydrophobicContact CE1-CG 3.99Å; Y204-K237 HydrophobicContact CE2-CG 4.44Å; Y204-K237 WeakPolarHBondContact OH-CE 3.36Å; Y204-K237 WeakPolarHBondContact OH-CG 3.41Å |
| 205 | T | 95.3 | Very high | 85.9 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 37% | 0.368 | 34% | 0.338 | S | S | . | . | trans | -124 | 171.1 | 173.3 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | S207 D208 | T205-S207 PolarHBondContact O-N 3.4Å; T205-S207 VanDerWaalsContact O-N 3.13Å; T205-S207 PolarHBondContact OG1-N 2.91Å; T205-S207 PolarHBondContact OG1-OG 3.37Å; T205-D208 PolarHBondContact N-OD2 3.3Å; T205-D208 WeakPolarHBondContact O-CB 2.96Å; T205-D208 PolarHBondContact O-N 3.36Å; T205-D208 PolarHBondContact OG1-OD2 3.47Å | ||
| 206 | A | 94.3 | Very high | 86.7 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -54.7 | -32.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L153 L188 D208 F209 | L153-A206 HydrophobicContact CD1-CB 4.21Å; L153-A206 WeakPolarHBondContact CD1-O 3.45Å; L153-A206 HydrophobicContact CD2-CB 4.36Å; L188-A206 HydrophobicContact CD1-CB 4.42Å; A206-D208 PolarHBondContact O-N 3.35Å; A206-D208 VanDerWaalsContact O-N 3.16Å; A206-F209 VanDerWaalsContact O-CB 3.24Å; A206-F209 WeakPolarHBondContact O-CB 3.34Å; A206-F209 PolarHBondContact O-N 2.87Å |
| 207 | S | 94.4 | Very high | 87.5 | Confident | 94 Ų | 94 | 53.2 Ų | 53.2 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -65.3 | -17.8 | 178.4 | 73.5 | 0 | 0 | 0 | 0 | 114.4 | T205 F209 | T205-S207 PolarHBondContact O-N 3.4Å; T205-S207 VanDerWaalsContact O-N 3.13Å; T205-S207 PolarHBondContact OG1-N 2.91Å; T205-S207 PolarHBondContact OG1-OG 3.37Å; S207-F209 VanDerWaalsContact C-N 3.35Å |
| 208 | D | 95.9 | Very high | 88.2 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.064 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -84.6 | -12.4 | 176 | -59 | -64.6 | 0 | 0 | 0 | 112 | R202 Y204 T205 A206 F228 K229 | R202-D208 IonicContact CZ-OD1 3.8Å; R202-D208 IonicContact NH2-OD1 3.81Å; R202-D208 PolarHBondContact NH2-OD1 2.91Å; R202-D208 IonicContact NH2-OD2 2.98Å; R202-D208 PolarHBondContact NH2-OD2 3.1Å; Y204-D208 HydrophobicContact CD1-CB 4.02Å; T205-D208 PolarHBondContact N-OD2 3.3Å; T205-D208 WeakPolarHBondContact O-CB 2.96Å; T205-D208 PolarHBondContact O-N 3.36Å; T205-D208 PolarHBondContact OG1-OD2 3.47Å; A206-D208 PolarHBondContact O-N 3.35Å; A206-D208 VanDerWaalsContact O-N 3.16Å; D208-F228 HydrophobicContact CB-CD1 4.44Å; D208-F228 CarbonylContact O-C 3.56Å; D208-F228 WeakPolarHBondContact O-CA 3.45Å; D208-K229 PolarHBondContact O-N 2.88Å |
| 209 | F | 97 | Very high | 89.2 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.1 | 174.5 | -179.9 | -113.4 | 0 | 0 | 0 | 110.7 | F151 L153 I184 A206 S207 E211 G212 L226 F228 | F151-F209 HydrophobicContact CD2-CE1 4.18Å; F151-F209 HydrophobicContact CD2-CZ 4.08Å; F151-F209 HydrophobicContact CE2-CE1 4.08Å; F151-F209 AromaticContact CE2-CZ 3.66Å; F151-F209 HydrophobicContact CE2-CZ 3.66Å; F151-F209 HydrophobicContact CZ-CZ 4.14Å; L153-F209 HydrophobicContact CD2-CB 4.27Å; L153-F209 HydrophobicContact CD2-CD1 3.55Å; L153-F209 HydrophobicContact CD2-CE1 4.27Å; L153-F209 HydrophobicContact CD2-CG 4.27Å; L153-F209 HydrophobicContact CG-CD1 3.84Å; I184-F209 HydrophobicContact CD1-CD1 4.32Å; I184-F209 HydrophobicContact CD1-CE1 4.04Å; I184-F209 HydrophobicContact CD1-CZ 4.36Å; I184-F209 HydrophobicContact CG1-CE1 4.43Å; I184-F209 HydrophobicContact CG1-CZ 4.33Å; A206-F209 VanDerWaalsContact O-CB 3.24Å; A206-F209 WeakPolarHBondContact O-CB 3.34Å; A206-F209 PolarHBondContact O-N 2.87Å; S207-F209 VanDerWaalsContact C-N 3.35Å; F209-E211 VanDerWaalsContact CE2-C 3.5Å; F209-E211 WeakPolarHBondContact CE2-O 3.44Å; F209-E211 VanDerWaalsContact CZ-C 3.4Å; F209-G212 VanDerWaalsContact CZ-N 3.25Å; F209-L226 HydrophobicContact CE2-CB 4.03Å; F209-L226 HydrophobicContact CE2-CD2 3.87Å; F209-L226 HydrophobicContact CE2-CG 4.5Å; F209-L226 HydrophobicContact CZ-CD2 4.18Å; F209-F228 HydrophobicContact CB-CD1 3.92Å; F209-F228 HydrophobicContact CB-CE1 3.7Å; F209-F228 HydrophobicContact CB-CZ 4.41Å; F209-F228 HydrophobicContact CD2-CD1 4.36Å; F209-F228 AromaticContact CD2-CE1 3.96Å; F209-F228 HydrophobicContact CD2-CE1 3.96Å; F209-F228 HydrophobicContact CD2-CE2 4.12Å; F209-F228 AromaticContact CD2-CZ 3.82Å; F209-F228 HydrophobicContact CD2-CZ 3.82Å; F209-F228 HydrophobicContact CG-CE1 4.28Å |
| 210 | I | 95.6 | Very high | 90.4 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -61.2 | -177.2 | -61.1 | 174.6 | 0 | 0 | 0 | 109.8 | T227 K229 F236 | I210-T227 PolarHBondContact N-O 2.98Å; I210-K229 HydrophobicContact CD1-CB 4.01Å; I210-K229 HydrophobicContact CG1-CB 4.34Å; I210-F236 HydrophobicContact CD1-CD1 3.65Å; I210-F236 HydrophobicContact CD1-CE1 3.63Å |
| 211 | E | 96.2 | Very high | 91.7 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 149.7 | -176.4 | 64.3 | 179.2 | -173.4 | 0 | 0 | 110.1 | F209 T227 T370 | F209-E211 VanDerWaalsContact CE2-C 3.5Å; F209-E211 WeakPolarHBondContact CE2-O 3.44Å; F209-E211 VanDerWaalsContact CZ-C 3.4Å; E211-T227 PolarHBondContact O-N 2.84Å; E211-T370 PolarHBondContact OE1-OG1 2.85Å; E211-T370 PolarHBondContact OE2-OG1 2.78Å |
| 212 | G | 97.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S150 F151 F209 E225 | S150-G212 CarbonylContact C-O 3.52Å; S150-G212 WeakPolarHBondContact CA-O 3.48Å; F151-G212 WeakPolarHBondContact CD1-O 3.38Å; F151-G212 VanDerWaalsContact CE1-C 3.47Å; F151-G212 PolarHBondContact N-O 3.11Å; F151-G212 PolarHBondContact O-N 2.95Å; F209-G212 VanDerWaalsContact CZ-N 3.25Å; G212-E225 VanDerWaalsContact CA-O 3.29Å; G212-E225 WeakPolarHBondContact CA-O 3.3Å |
| 213 | I | 96.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.4 | 164.9 | 59.7 | 172.1 | 0 | 0 | 0 | 108.6 | F148 D149 Y224 E225 V465 T467 | F148-I213 HydrophobicContact CB-CB 4.17Å; F148-I213 HydrophobicContact CD1-CB 4.03Å; F148-I213 HydrophobicContact CD1-CD1 3.9Å; F148-I213 HydrophobicContact CD1-CG1 3.96Å; F148-I213 HydrophobicContact CE1-CD1 4.22Å; F148-I213 HydrophobicContact CE1-CG1 4.44Å; F148-I213 HydrophobicContact CG-CB 4.42Å; F148-I213 HydrophobicContact CG-CD1 4.23Å; D149-I213 CarbonylContact O-C 3.58Å; D149-I213 VanDerWaalsContact O-CA 3.25Å; D149-I213 WeakPolarHBondContact O-CA 3.41Å; I213-Y224 WeakPolarHBondContact O-CA 3.2Å; I213-E225 HydrophobicContact CD1-CB 4.27Å; I213-E225 HydrophobicContact CD1-CG 4.46Å; I213-E225 HydrophobicContact CG1-CB 3.75Å; I213-E225 HydrophobicContact CG1-CG 4.31Å; I213-E225 PolarHBondContact N-O 3.42Å; I213-E225 PolarHBondContact O-N 3.25Å; I213-V465 HydrophobicContact CD1-CG1 3.73Å; I213-T467 HydrophobicContact CG2-CG2 4.04Å |
| 214 | Y | 95.3 | Very high | 93.4 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.9 | 175.3 | 75.7 | -86.3 | 0 | 0 | 0 | 112.1 | F148 D149 F151 V156 Q158 L180 T222 L223 Y224 | F148-Y214 CarbonylContact C-O 3.54Å; F148-Y214 VanDerWaalsContact CA-O 3.25Å; F148-Y214 WeakPolarHBondContact CA-O 3.48Å; D149-Y214 HydrophobicContact CB-CD1 4.11Å; D149-Y214 HydrophobicContact CB-CE1 3.5Å; D149-Y214 HydrophobicContact CB-CE2 4.1Å; D149-Y214 VanDerWaalsContact CB-CZ 3.47Å; D149-Y214 WeakPolarHBondContact CB-OH 3.36Å; D149-Y214 PolarHBondContact N-O 2.87Å; D149-Y214 PolarHBondContact O-N 3.19Å; D149-Y214 PolarHBondContact OD2-OH 3.11Å; F151-Y214 AromaticContact CD1-CD1 3.66Å; F151-Y214 HydrophobicContact CD1-CD1 3.66Å; F151-Y214 HydrophobicContact CD1-CE1 4.15Å; F151-Y214 AromaticContact CE1-CD1 3.75Å; F151-Y214 HydrophobicContact CE1-CD1 3.75Å; V156-Y214 HydrophobicContact CG1-CE1 4.36Å; Q158-Y214 PolarHBondContact NE2-OH 2.64Å; L180-Y214 HydrophobicContact CD2-CD1 3.86Å; L180-Y214 HydrophobicContact CD2-CE1 3.97Å; L180-Y214 HydrophobicContact CD2-CG 4.4Å; Y214-T222 HydrophobicContact CD2-CG2 4.01Å; Y214-L223 CarbonylContact C-O 3.6Å; Y214-L223 WeakPolarHBondContact CA-O 3.15Å; Y214-L223 WeakPolarHBondContact CB-O 3.38Å; Y214-Y224 VanDerWaalsContact CB-CD1 3.46Å; Y214-Y224 HydrophobicContact CG-CD1 4.25Å; Y214-Y224 HydrophobicContact CG-CE1 4.25Å |
| 215 | R | 93.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 134.3 | 178.2 | -178 | 178.1 | 77.2 | 175.4 | 4.9 | 110.2 | E132 V146 P147 F148 E217 T222 L223 | E132-R215 IonicContact OE2-CZ 3.3Å; E132-R215 VanDerWaalsContact OE2-CZ 3.31Å; E132-R215 IonicContact OE2-NH1 2.99Å; E132-R215 PolarHBondContact OE2-NH1 3.31Å; E132-R215 IonicContact OE2-NH2 3.71Å; E132-R215 PolarHBondContact OE2-NH2 3.16Å; V146-R215 HydrophobicContact CB-CG 4.24Å; V146-R215 HydrophobicContact CG1-CG 3.6Å; V146-R215 WeakPolarHBondContact O-CD 3.32Å; V146-R215 PolarHBondContact O-NH1 2.98Å; V146-R215 VanDerWaalsContact O-NH1 3.12Å; P147-R215 WeakPolarHBondContact O-CG 3.36Å; F148-R215 HydrophobicContact CD1-CB 3.6Å; F148-R215 HydrophobicContact CD2-CB 4.33Å; F148-R215 HydrophobicContact CE1-CB 3.76Å; F148-R215 HydrophobicContact CE2-CB 4.46Å; F148-R215 HydrophobicContact CG-CB 3.89Å; F148-R215 HydrophobicContact CZ-CB 4.2Å; R215-E217 IonicContact CZ-OE1 3.21Å; R215-E217 IonicContact NH2-OE1 2.69Å; R215-E217 PolarHBondContact NH2-OE1 3.3Å; R215-T222 CarbonylContact O-C 3.59Å; R215-T222 WeakPolarHBondContact O-CA 3.32Å; R215-L223 PolarHBondContact N-O 3.02Å; R215-L223 PolarHBondContact O-N 3.24Å |
| 216 | T | 91.1 | Very high | 93.7 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 39% | 0.387 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115 | 176.6 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | G221 T222 | T216-G221 CarbonylContact C-O 3.56Å; T216-G221 WeakPolarHBondContact CA-O 3.25Å; T216-T222 WeakPolarHBondContact CG2-OG1 3.24Å; T216-T222 WeakPolarHBondContact OG1-CG2 3.42Å; T216-T222 PolarHBondContact OG1-OG1 3.39Å |
| 217 | E | 87.8 | Confident | 93.9 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.6 | 166.9 | -70 | 178.6 | -121.3 | 0 | 0 | 107.9 | E132 R215 D219 K220 G221 | E132-E217 PolarHBondContact N-OE1 2.69Å; R215-E217 IonicContact CZ-OE1 3.21Å; R215-E217 IonicContact NH2-OE1 2.69Å; R215-E217 PolarHBondContact NH2-OE1 3.3Å; E217-D219 PolarHBondContact O-N 3.26Å; E217-K220 HydrophobicContact CB-CB 4.1Å; E217-K220 HydrophobicContact CB-CD 4.41Å; E217-K220 HydrophobicContact CB-CG 4.35Å; E217-K220 PolarHBondContact O-N 3.11Å; E217-K220 WeakPolarHBondContact OE2-CD 3.04Å; E217-K220 VanDerWaalsContact OE2-CE 3.29Å; E217-K220 WeakPolarHBondContact OE2-CE 3.49Å; E217-K220 IonicContact OE2-NZ 3.14Å; E217-K220 PolarHBondContact OE2-NZ 3.34Å; E217-G221 PolarHBondContact N-O 3.28Å; E217-G221 PolarHBondContact O-N 3.11Å |
| 218 | R | 86.9 | Confident | 94 | Very high | 222 Ų | 222 | 28.9 Ų | 28.9 | 84% | 0.838 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.3 | -167.3 | -65.6 | -176.8 | -178.2 | -178.4 | 2 | 114.6 | F245 | R218-F245 WeakPolarHBondContact O-CZ 3.41Š|
| 219 | D | 85.2 | Confident | 94 | Very high | 111 Ų | 111 | 34.1 Ų | 34.1 | 59% | 0.594 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -5.3 | -177.8 | 62.4 | -39.1 | 0 | 0 | 0 | 113.5 | E217 | E217-D219 PolarHBondContact O-N 3.26Š|
| 220 | K | 87.4 | Confident | 93.8 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 14% | 0.139 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -41.8 | -174.2 | -52.6 | -179.1 | -163.6 | 163.4 | 0 | 113.9 | K130 A131 E217 F242 | K130-K220 HydrophobicContact CB-CD 4.47Å; K130-K220 WeakPolarHBondContact O-CE 3.07Å; K130-K220 PolarHBondContact O-NZ 3.03Å; A131-K220 HydrophobicContact CB-CD 4.08Å; E217-K220 HydrophobicContact CB-CB 4.1Å; E217-K220 HydrophobicContact CB-CD 4.41Å; E217-K220 HydrophobicContact CB-CG 4.35Å; E217-K220 PolarHBondContact O-N 3.11Å; E217-K220 WeakPolarHBondContact OE2-CD 3.04Å; E217-K220 VanDerWaalsContact OE2-CE 3.29Å; E217-K220 WeakPolarHBondContact OE2-CE 3.49Å; E217-K220 IonicContact OE2-NZ 3.14Å; E217-K220 PolarHBondContact OE2-NZ 3.34Å; K220-F242 HydrophobicContact CB-CZ 4.09Å; K220-F242 WeakPolarHBondContact O-CZ 3.47Å |
| 221 | G | 91.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.6 | -165.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T216 E217 R243 | T216-G221 CarbonylContact C-O 3.56Å; T216-G221 WeakPolarHBondContact CA-O 3.25Å; E217-G221 PolarHBondContact N-O 3.28Å; E217-G221 PolarHBondContact O-N 3.11Å; G221-R243 CarbonylContact C-O 3.45Å; G221-R243 WeakPolarHBondContact CA-O 3.49Å |
| 222 | T | 94.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.9 | -176.1 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | Y214 R215 T216 Y224 F242 R243 | Y214-T222 HydrophobicContact CD2-CG2 4.01Å; R215-T222 CarbonylContact O-C 3.59Å; R215-T222 WeakPolarHBondContact O-CA 3.32Å; T216-T222 WeakPolarHBondContact CG2-OG1 3.24Å; T216-T222 WeakPolarHBondContact OG1-CG2 3.42Å; T216-T222 PolarHBondContact OG1-OG1 3.39Å; T222-Y224 HydrophobicContact CG2-CD1 4.34Å; T222-Y224 HydrophobicContact CG2-CD2 4.25Å; T222-Y224 HydrophobicContact CG2-CE1 3.69Å; T222-Y224 HydrophobicContact CG2-CE2 3.61Å; T222-Y224 WeakPolarHBondContact CG2-OH 3.48Å; T222-F242 WeakPolarHBondContact O-CA 3.44Å; T222-R243 PolarHBondContact N-O 3.41Å; T222-R243 PolarHBondContact O-N 2.82Å |
| 223 | L | 95.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.5 | 169.6 | 175.6 | 61.9 | 0 | 0 | 0 | 109.5 | V133 F148 Y214 R215 V240 F242 | V133-L223 HydrophobicContact CG1-CD1 4.03Å; V133-L223 HydrophobicContact CG2-CD1 3.94Å; V133-L223 HydrophobicContact CG2-CD2 4.33Å; F148-L223 HydrophobicContact CE1-CD2 3.98Å; F148-L223 HydrophobicContact CE1-CG 4.38Å; F148-L223 HydrophobicContact CZ-CD2 3.98Å; Y214-L223 CarbonylContact C-O 3.6Å; Y214-L223 WeakPolarHBondContact CA-O 3.15Å; Y214-L223 WeakPolarHBondContact CB-O 3.38Å; R215-L223 PolarHBondContact N-O 3.02Å; R215-L223 PolarHBondContact O-N 3.24Å; L223-V240 HydrophobicContact CD1-CG1 3.54Å; L223-F242 HydrophobicContact CB-CD2 4.16Å; L223-F242 HydrophobicContact CD1-CD2 4.45Å |
| 224 | Y | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.4 | 171 | -49.3 | -97 | 0 | 0 | 0 | 109.7 | E179 L180 A183 I213 Y214 T222 V240 L241 R243 | E179-Y224 WeakPolarHBondContact CG-OH 3.41Å; E179-Y224 PolarHBondContact OE1-OH 2.92Å; L180-Y224 HydrophobicContact CD2-CE1 4.12Å; A183-Y224 HydrophobicContact CB-CD1 4.01Å; A183-Y224 HydrophobicContact CB-CD2 4.47Å; A183-Y224 HydrophobicContact CB-CE1 4.18Å; A183-Y224 HydrophobicContact CB-CG 4.18Å; I213-Y224 WeakPolarHBondContact O-CA 3.2Å; Y214-Y224 VanDerWaalsContact CB-CD1 3.46Å; Y214-Y224 HydrophobicContact CG-CD1 4.25Å; Y214-Y224 HydrophobicContact CG-CE1 4.25Å; T222-Y224 HydrophobicContact CG2-CD1 4.34Å; T222-Y224 HydrophobicContact CG2-CD2 4.25Å; T222-Y224 HydrophobicContact CG2-CE1 3.69Å; T222-Y224 HydrophobicContact CG2-CE2 3.61Å; T222-Y224 WeakPolarHBondContact CG2-OH 3.48Å; Y224-V240 WeakPolarHBondContact O-CA 3.46Å; Y224-L241 HydrophobicContact CD2-CB 4.37Å; Y224-L241 PolarHBondContact N-O 2.86Å; Y224-L241 PolarHBondContact O-N 3.01Å; Y224-R243 HydrophobicContact CE2-CB 3.83Å |
| 225 | E | 97.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.1 | 164.3 | -56.9 | -166.2 | -175.5 | 0 | 0 | 109 | G212 I213 R238 L239 V240 K380 | G212-E225 VanDerWaalsContact CA-O 3.29Å; G212-E225 WeakPolarHBondContact CA-O 3.3Å; I213-E225 HydrophobicContact CD1-CB 4.27Å; I213-E225 HydrophobicContact CD1-CG 4.46Å; I213-E225 HydrophobicContact CG1-CB 3.75Å; I213-E225 HydrophobicContact CG1-CG 4.31Å; I213-E225 PolarHBondContact N-O 3.42Å; I213-E225 PolarHBondContact O-N 3.25Å; E225-R238 IonicContact OE2-CZ 2.81Å; E225-R238 IonicContact OE2-NE 2.64Å; E225-R238 IonicContact OE2-NH1 3.89Å; E225-R238 PolarHBondContact OE2-NH1 2.88Å; E225-L239 WeakPolarHBondContact CA-O 3.41Å; E225-V240 HydrophobicContact CG-CG1 4.49Å; E225-V240 HydrophobicContact CG-CG2 4.31Å; E225-K380 IonicContact OE1-NZ 3.82Å; E225-K380 PolarHBondContact OE1-NZ 2.89Å; E225-K380 IonicContact OE2-NZ 3.2Å; E225-K380 PolarHBondContact OE2-NZ 3.25Å |
| 226 | L | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.7 | -174.2 | -55.3 | 177.1 | 0 | 0 | 0 | 109.3 | F151 A183 A187 F209 F228 R238 L239 L241 | F151-L226 HydrophobicContact CE1-CD2 4.13Å; F151-L226 HydrophobicContact CE2-CD2 4.25Å; F151-L226 HydrophobicContact CZ-CD2 3.43Å; F151-L226 VanDerWaalsContact CZ-CD2 3.43Å; A183-L226 HydrophobicContact CB-CD1 4.39Å; A183-L226 VanDerWaalsContact O-CD1 3.3Å; A183-L226 WeakPolarHBondContact O-CD1 3.34Å; A187-L226 HydrophobicContact CB-CD1 3.56Å; F209-L226 HydrophobicContact CE2-CB 4.03Å; F209-L226 HydrophobicContact CE2-CD2 3.87Å; F209-L226 HydrophobicContact CE2-CG 4.5Å; F209-L226 HydrophobicContact CZ-CD2 4.18Å; L226-F228 HydrophobicContact CB-CE2 3.73Å; L226-F228 HydrophobicContact CB-CZ 4.48Å; L226-R238 CarbonylContact O-C 3.51Å; L226-R238 WeakPolarHBondContact O-CA 3.24Å; L226-L239 PolarHBondContact N-O 3.36Å; L226-L239 PolarHBondContact O-N 3.44Å; L226-L241 HydrophobicContact CD1-CD1 3.87Å |
| 227 | T | 97.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.6 | -178.1 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | I210 E211 F236 K237 R238 L373 | I210-T227 PolarHBondContact N-O 2.98Å; E211-T227 PolarHBondContact O-N 2.84Å; T227-F236 HydrophobicContact CG2-CB 4.09Å; T227-F236 HydrophobicContact CG2-CD1 4.09Å; T227-F236 HydrophobicContact CG2-CG 4.41Å; T227-K237 WeakPolarHBondContact CA-O 3.44Å; T227-R238 PolarHBondContact OG1-NE 2.8Å; T227-R238 PolarHBondContact OG1-NH2 3.17Å; T227-L373 HydrophobicContact CG2-CD1 3.99Å; T227-L373 HydrophobicContact CG2-CD2 4.31Å |
| 228 | F | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150.5 | 178 | -62 | -102.1 | 0 | 0 | 0 | 110.3 | A187 L188 L191 Y204 D208 F209 L226 F236 K237 | A187-F228 HydrophobicContact CB-CE2 3.86Å; A187-F228 HydrophobicContact CB-CZ 3.79Å; L188-F228 HydrophobicContact CD2-CD1 4.34Å; L188-F228 HydrophobicContact CD2-CE1 3.67Å; L188-F228 HydrophobicContact CD2-CZ 4.38Å; L188-F228 HydrophobicContact CG-CE1 4.22Å; L191-F228 HydrophobicContact CD1-CB 4.26Å; L191-F228 HydrophobicContact CD1-CD1 3.95Å; L191-F228 HydrophobicContact CD1-CD2 3.58Å; L191-F228 HydrophobicContact CD1-CE1 4.16Å; L191-F228 HydrophobicContact CD1-CE2 3.8Å; L191-F228 HydrophobicContact CD1-CG 3.66Å; L191-F228 HydrophobicContact CD1-CZ 4.09Å; Y204-F228 HydrophobicContact CD1-CB 4.17Å; Y204-F228 HydrophobicContact CE1-CB 4.3Å; D208-F228 HydrophobicContact CB-CD1 4.44Å; D208-F228 CarbonylContact O-C 3.56Å; D208-F228 WeakPolarHBondContact O-CA 3.45Å; F209-F228 HydrophobicContact CB-CD1 3.92Å; F209-F228 HydrophobicContact CB-CE1 3.7Å; F209-F228 HydrophobicContact CB-CZ 4.41Å; F209-F228 HydrophobicContact CD2-CD1 4.36Å; F209-F228 AromaticContact CD2-CE1 3.96Å; F209-F228 HydrophobicContact CD2-CE1 3.96Å; F209-F228 HydrophobicContact CD2-CE2 4.12Å; F209-F228 AromaticContact CD2-CZ 3.82Å; F209-F228 HydrophobicContact CD2-CZ 3.82Å; F209-F228 HydrophobicContact CG-CE1 4.28Å; L226-F228 HydrophobicContact CB-CE2 3.73Å; L226-F228 HydrophobicContact CB-CZ 4.48Å; F228-F236 CarbonylContact O-C 3.53Å; F228-F236 VanDerWaalsContact O-CA 3.25Å; F228-F236 WeakPolarHBondContact O-CA 3.37Å; F228-F236 WeakPolarHBondContact O-CB 3.28Å; F228-K237 HydrophobicContact CB-CB 4.37Å; F228-K237 PolarHBondContact N-O 2.66Å; F228-K237 PolarHBondContact O-N 3.47Å |
| 229 | K | 95.8 | Very high | 94 | Very high | 123 Ų | 123 | 35.8 Ų | 35.8 | 54% | 0.535 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 132.3 | 172.9 | -171.2 | -176.4 | 175.8 | -178.1 | 0 | 110.1 | Y204 D208 I210 | Y204-K229 VanDerWaalsContact CE1-O 3.3Å; Y204-K229 WeakPolarHBondContact CE1-O 3.28Å; D208-K229 PolarHBondContact O-N 2.88Å; I210-K229 HydrophobicContact CD1-CB 4.01Å; I210-K229 HydrophobicContact CG1-CB 4.34Å |
| 230 | G | 92.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | trans | -83.6 | -176.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H232 E235 | G230-H232 VanDerWaalsContact C-N 3.3Å; G230-H232 PolarHBondContact O-N 3.05Å; G230-E235 VanDerWaalsContact CA-O 3.32Å; G230-E235 WeakPolarHBondContact CA-O 3.4Å; G230-E235 PolarHBondContact N-O 2.82Å | ||
| 231 | D | 89.1 | Confident | 95 | Very high | 70 Ų | 70 | 29.3 Ų | 29.3 | 37% | 0.374 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -66.3 | -32.7 | -176.9 | -59.2 | -47.6 | 0 | 0 | 0 | 112.9 | H201 | H201-D231 IonicContact CE1-OD1 3.65Å; H201-D231 PolarHBondContact CE1-OD1 3.35Å; H201-D231 IonicContact CE1-OD2 2.82Å; H201-D231 PolarHBondContact CE1-OD2 3.23Å; H201-D231 VanDerWaalsContact CE1-OD2 3.25Å; H201-D231 IonicContact ND1-OD1 3.26Å; H201-D231 IonicContact ND1-OD2 3.94Å |
| 232 | H | 90.8 | Very high | 95.1 | Very high | 120 Ų | 120 | 29.2 Ų | 29.2 | 56% | 0.556 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -117.4 | 162.8 | -176.1 | -54.5 | -53.7 | 0 | 0 | 0 | 112.1 | G230 H234 E235 | G230-H232 VanDerWaalsContact C-N 3.3Å; G230-H232 PolarHBondContact O-N 3.05Å; H232-H234 PolarHBondContact O-N 3.39Å; H232-E235 HydrophobicContact CB-CB 4.49Å; H232-E235 HydrophobicContact CB-CG 4.03Å; H232-E235 IonicContact CD2-OE2 2.79Å; H232-E235 PolarHBondContact O-N 3.14Å |
| 233 | K | 89.9 | Confident | 95.1 | Very high | 158 Ų | 158 | 31.6 Ų | 31.6 | 69% | 0.687 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 131.8 | 175.6 | -162.8 | -172.2 | -179.4 | -172.1 | 0 | 109.3 | E235 | K233-E235 PolarHBondContact O-N 2.94Š|
| 234 | H | 93.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 31.8 Ų | 31.8 | 17% | 0.171 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 8.2 | -177.9 | -42.4 | -62.2 | 0 | 0 | 0 | 115.7 | H232 F236 M258 A259 R293 | H232-H234 PolarHBondContact O-N 3.39Å; H234-F236 WeakPolarHBondContact O-CD2 3.41Å; H234-F236 VanDerWaalsContact O-CE2 3.3Å; H234-F236 WeakPolarHBondContact O-CE2 3.2Å; H234-M258 PolarHBondContact O-N 2.8Å; H234-A259 HydrophobicContact CB-CB 4.35Å; H234-R293 PolarHBondContact CE1-NH2 2.92Å; H234-R293 VanDerWaalsContact CE1-NH2 3.3Å; H234-R293 VanDerWaalsContact ND1-CZ 3.29Å; H234-R293 PolarHBondContact ND1-NH1 3.04Å; H234-R293 PolarHBondContact ND1-NH2 3.02Å; H234-R293 VanDerWaalsContact ND1-NH2 3.16Å |
| 235 | E | 95.2 | Very high | 94.4 | Very high | 21 Ų | 21 | 39 Ų | 39 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 144.3 | 163.7 | -65.6 | -160.7 | 157.7 | 0 | 0 | 110.4 | G230 H232 K233 K255 L256 N257 | G230-E235 VanDerWaalsContact CA-O 3.32Å; G230-E235 WeakPolarHBondContact CA-O 3.4Å; G230-E235 PolarHBondContact N-O 2.82Å; H232-E235 HydrophobicContact CB-CB 4.49Å; H232-E235 HydrophobicContact CB-CG 4.03Å; H232-E235 IonicContact CD2-OE2 2.79Å; H232-E235 PolarHBondContact O-N 3.14Å; K233-E235 PolarHBondContact O-N 2.94Å; E235-K255 IonicContact OE1-NZ 3.6Å; E235-K255 PolarHBondContact OE1-NZ 2.62Å; E235-K255 WeakPolarHBondContact OE2-CE 3.41Å; E235-K255 IonicContact OE2-NZ 2.7Å; E235-K255 PolarHBondContact OE2-NZ 2.95Å; E235-L256 CarbonylContact C-O 3.57Å; E235-L256 WeakPolarHBondContact CA-O 3.49Å; E235-N257 HydrophobicContact CG-CB 4.34Å; E235-N257 PolarHBondContact OE1-ND2 2.95Å |
| 236 | F | 96.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 40 Ų | 40 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155 | -179.5 | -53.7 | -91.3 | 0 | 0 | 0 | 110 | I210 T227 F228 H234 L256 M258 N369 L373 | I210-F236 HydrophobicContact CD1-CD1 3.65Å; I210-F236 HydrophobicContact CD1-CE1 3.63Å; T227-F236 HydrophobicContact CG2-CB 4.09Å; T227-F236 HydrophobicContact CG2-CD1 4.09Å; T227-F236 HydrophobicContact CG2-CG 4.41Å; F228-F236 CarbonylContact O-C 3.53Å; F228-F236 VanDerWaalsContact O-CA 3.25Å; F228-F236 WeakPolarHBondContact O-CA 3.37Å; F228-F236 WeakPolarHBondContact O-CB 3.28Å; H234-F236 WeakPolarHBondContact O-CD2 3.41Å; H234-F236 VanDerWaalsContact O-CE2 3.3Å; H234-F236 WeakPolarHBondContact O-CE2 3.2Å; F236-L256 HydrophobicContact CB-CB 4.25Å; F236-L256 PolarHBondContact N-O 3.36Å; F236-L256 PolarHBondContact O-N 2.88Å; F236-M258 HydrophobicContact CD2-CG 4.17Å; F236-M258 HydrophobicContact CE2-CB 4.15Å; F236-M258 HydrophobicContact CE2-CG 4.08Å; F236-N369 HydrophobicContact CZ-CB 4.5Å; F236-L373 HydrophobicContact CB-CD2 4.12Å; F236-L373 HydrophobicContact CD1-CD1 4.28Å; F236-L373 HydrophobicContact CD1-CD2 4.43Å; F236-L373 HydrophobicContact CD2-CD2 3.79Å; F236-L373 HydrophobicContact CE1-CD1 4.22Å; F236-L373 HydrophobicContact CE2-CD2 4.29Å; F236-L373 HydrophobicContact CG-CD2 3.86Å; F236-L373 HydrophobicContact CZ-CD1 4.4Å |
| 237 | K | 95.9 | Very high | 93.5 | Very high | 29 Ų | 29 | 44 Ų | 44 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.2 | 164.4 | -62.1 | -62.9 | -174.7 | 165.2 | 0 | 108.7 | L191 Y204 T227 F228 E254 K255 | L191-K237 HydrophobicContact CD2-CB 4.01Å; L191-K237 HydrophobicContact CD2-CG 4.19Å; Y204-K237 HydrophobicContact CE1-CG 3.99Å; Y204-K237 HydrophobicContact CE2-CG 4.44Å; Y204-K237 WeakPolarHBondContact OH-CE 3.36Å; Y204-K237 WeakPolarHBondContact OH-CG 3.41Å; T227-K237 WeakPolarHBondContact CA-O 3.44Å; F228-K237 HydrophobicContact CB-CB 4.37Å; F228-K237 PolarHBondContact N-O 2.66Å; F228-K237 PolarHBondContact O-N 3.47Å; K237-E254 WeakPolarHBondContact CA-O 3.07Å; K237-K255 HydrophobicContact CD-CB 4.25Å; K237-K255 HydrophobicContact CD-CG 4.27Å |
| 238 | R | 96.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.8 | 173 | 177.7 | 164.2 | -69.4 | -166 | 2.8 | 110.3 | E225 L226 T227 V240 E254 L256 L373 N374 | E225-R238 IonicContact OE2-CZ 2.81Å; E225-R238 IonicContact OE2-NE 2.64Å; E225-R238 IonicContact OE2-NH1 3.89Å; E225-R238 PolarHBondContact OE2-NH1 2.88Å; L226-R238 CarbonylContact O-C 3.51Å; L226-R238 WeakPolarHBondContact O-CA 3.24Å; T227-R238 PolarHBondContact OG1-NE 2.8Å; T227-R238 PolarHBondContact OG1-NH2 3.17Å; R238-V240 HydrophobicContact CG-CG2 4.4Å; R238-E254 HydrophobicContact CB-CB 4.3Å; R238-E254 PolarHBondContact N-O 3.13Å; R238-E254 PolarHBondContact O-N 3.3Å; R238-L256 HydrophobicContact CB-CD1 3.74Å; R238-L256 HydrophobicContact CB-CG 4.46Å; R238-L373 PolarHBondContact NH1-O 3.41Å; R238-L373 PolarHBondContact NH2-O 2.83Å; R238-N374 PolarHBondContact NH1-OD1 3.48Å; R238-N374 VanDerWaalsContact NH1-OD1 3.13Å; R238-N374 PolarHBondContact NH2-OD1 2.94Å |
| 239 | L | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.1 | 171.5 | -87.8 | 69.6 | 0 | 0 | 0 | 108.8 | A187 T190 L191 E225 L226 K252 K253 | A187-L239 VanDerWaalsContact CA-CD2 3.48Å; A187-L239 HydrophobicContact CB-CB 4.34Å; A187-L239 HydrophobicContact CB-CD2 3.65Å; A187-L239 VanDerWaalsContact O-CD2 3.23Å; A187-L239 WeakPolarHBondContact O-CD2 3.29Å; T190-L239 HydrophobicContact CG2-CD2 3.78Å; L191-L239 HydrophobicContact CD1-CD1 3.94Å; L191-L239 HydrophobicContact CD1-CD2 4.43Å; L191-L239 HydrophobicContact CD2-CD1 3.4Å; L191-L239 VanDerWaalsContact CD2-CD1 3.4Å; L191-L239 HydrophobicContact CG-CD1 3.54Å; L191-L239 HydrophobicContact CG-CD2 3.85Å; L191-L239 HydrophobicContact CG-CG 4.38Å; E225-L239 WeakPolarHBondContact CA-O 3.41Å; L226-L239 PolarHBondContact N-O 3.36Å; L226-L239 PolarHBondContact O-N 3.44Å; L239-K252 WeakPolarHBondContact CA-O 3.45Å; L239-K253 HydrophobicContact CD1-CG 4.22Å |
| 240 | V | 96.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.2 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 106.8 | V133 L223 Y224 E225 R238 V251 K252 | V133-V240 HydrophobicContact CG1-CG1 3.79Å; L223-V240 HydrophobicContact CD1-CG1 3.54Å; Y224-V240 WeakPolarHBondContact O-CA 3.46Å; E225-V240 HydrophobicContact CG-CG1 4.49Å; E225-V240 HydrophobicContact CG-CG2 4.31Å; R238-V240 HydrophobicContact CG-CG2 4.4Å; V240-V251 HydrophobicContact CB-CB 4.39Å; V240-V251 HydrophobicContact CG1-CB 4.17Å; V240-V251 WeakPolarHBondContact O-CA 3.37Å; V240-V251 WeakPolarHBondContact O-CB 3.43Å; V240-V251 PolarHBondContact O-N 3.49Å; V240-K252 HydrophobicContact CB-CB 3.94Å; V240-K252 HydrophobicContact CG2-CB 4.08Å; V240-K252 PolarHBondContact N-O 2.72Å; V240-K252 PolarHBondContact O-N 2.78Å; V240-K252 VanDerWaalsContact O-N 3.09Å |
| 241 | L | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145 | 178 | -54.4 | -178.3 | 0 | 0 | 0 | 108.9 | A183 A187 Y224 L226 I248 M249 K250 | A183-L241 VanDerWaalsContact O-CD1 3.29Å; A183-L241 WeakPolarHBondContact O-CD1 3.31Å; A187-L241 HydrophobicContact CB-CD1 4.19Å; Y224-L241 HydrophobicContact CD2-CB 4.37Å; Y224-L241 PolarHBondContact N-O 2.86Å; Y224-L241 PolarHBondContact O-N 3.01Å; L226-L241 HydrophobicContact CD1-CD1 3.87Å; L241-I248 HydrophobicContact CB-CG2 3.87Å; L241-I248 HydrophobicContact CD1-CG2 4Å; L241-I248 HydrophobicContact CG-CG2 4.38Å; L241-M249 CarbonylContact C-O 3.59Å; L241-M249 WeakPolarHBondContact CA-O 3.41Å; L241-K250 HydrophobicContact CD2-CB 4.28Å |
| 242 | F | 95 | Very high | 93 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.3 | 173.9 | -172.7 | -100.8 | 0 | 0 | 0 | 109.3 | Q127 V128 A131 V133 K220 T222 L223 P244 M249 V251 | Q127-F242 HydrophobicContact CB-CE1 4.29Å; V128-F242 HydrophobicContact CB-CD1 4.33Å; V128-F242 HydrophobicContact CG2-CB 4.16Å; V128-F242 HydrophobicContact CG2-CD1 3.5Å; V128-F242 VanDerWaalsContact CG2-CD1 3.5Å; V128-F242 HydrophobicContact CG2-CE1 4.21Å; V128-F242 HydrophobicContact CG2-CG 4.09Å; A131-F242 HydrophobicContact CB-CD2 4.23Å; A131-F242 HydrophobicContact CB-CE2 3.48Å; A131-F242 VanDerWaalsContact CB-CE2 3.48Å; A131-F242 HydrophobicContact CB-CZ 3.69Å; V133-F242 HydrophobicContact CG2-CD2 4.27Å; K220-F242 HydrophobicContact CB-CZ 4.09Å; K220-F242 WeakPolarHBondContact O-CZ 3.47Å; T222-F242 WeakPolarHBondContact O-CA 3.44Å; L223-F242 HydrophobicContact CB-CD2 4.16Å; L223-F242 HydrophobicContact CD1-CD2 4.45Å; F242-P244 HydrophobicContact CD1-CB 4.38Å; F242-P244 HydrophobicContact CE1-CB 4Å; F242-P244 VanDerWaalsContact O-CD 3.28Å; F242-P244 WeakPolarHBondContact O-CD 3.45Å; F242-M249 PolarHBondContact N-O 3.29Å; F242-M249 PolarHBondContact O-N 3.13Å; F242-V251 HydrophobicContact CB-CG2 3.52Å |
| 243 | R | 93.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 43 Ų | 43 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 98.5 | 172.3 | -170.3 | 179.4 | -163 | 135.9 | 12.2 | 108.1 | E182 G221 T222 Y224 I248 | E182-R243 IonicContact OE1-CZ 2.87Å; E182-R243 IonicContact OE1-NH1 2.59Å; E182-R243 IonicContact OE1-NH2 2.91Å; E182-R243 PolarHBondContact OE1-NH2 2.94Å; E182-R243 IonicContact OE2-CZ 3.61Å; E182-R243 VanDerWaalsContact OE2-CZ 3.3Å; E182-R243 IonicContact OE2-NH1 2.79Å; E182-R243 PolarHBondContact OE2-NH1 2.94Å; E182-R243 IonicContact OE2-NH2 3.74Å; E182-R243 PolarHBondContact OE2-NH2 3.43Å; G221-R243 CarbonylContact C-O 3.45Å; G221-R243 WeakPolarHBondContact CA-O 3.49Å; T222-R243 PolarHBondContact N-O 3.41Å; T222-R243 PolarHBondContact O-N 2.82Å; Y224-R243 HydrophobicContact CE2-CB 3.83Å; R243-I248 HydrophobicContact CB-CG1 4.07Å; R243-I248 HydrophobicContact CG-CG1 3.98Å |
| 244 | P | 90.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | trans | -62.8 | -170.1 | 164.5 | 29.8 | -34.7 | 0 | 0 | 0 | 109.8 | L124 Q127 F242 G246 P247 M249 | L124-P244 HydrophobicContact CB-CG 4.37Å; L124-P244 HydrophobicContact CD2-CB 3.89Å; L124-P244 HydrophobicContact CD2-CG 3.65Å; L124-P244 HydrophobicContact CG-CG 4.41Å; Q127-P244 HydrophobicContact CB-CB 4.47Å; F242-P244 HydrophobicContact CD1-CB 4.38Å; F242-P244 HydrophobicContact CE1-CB 4Å; F242-P244 VanDerWaalsContact O-CD 3.28Å; F242-P244 WeakPolarHBondContact O-CD 3.45Å; P244-G246 PolarHBondContact O-N 2.82Å; P244-P247 WeakPolarHBondContact CD-O 3.27Å; P244-M249 HydrophobicContact CG-SD 4.22Å | ||
| 245 | F | 86.2 | Confident | 93.4 | Very high | 152 Ų | 152 | 40.7 Ų | 40.7 | 67% | 0.667 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -71.5 | 54.3 | 168.3 | -56 | -69.7 | 0 | 0 | 0 | 111.9 | R218 | R218-F245 WeakPolarHBondContact O-CZ 3.41Š|
| 246 | G | 87.4 | Confident | 93.4 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -172.7 | -154.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P244 | P244-G246 PolarHBondContact O-N 2.82Š|
| 247 | P | 89.8 | Confident | 93.4 | Very high | 83 Ų | 83 | 44.3 Ų | 44.3 | 54% | 0.539 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -71 | 152.4 | -177.8 | 29.5 | -34.6 | 0 | 0 | 0 | 112.4 | L124 P244 M249 | L124-P247 HydrophobicContact CD1-CG 4.33Å; P244-P247 WeakPolarHBondContact CD-O 3.27Å; P247-M249 PolarHBondContact O-N 3.2Å |
| 248 | I | 93.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | trans | -64.9 | 133.6 | 175 | -59.8 | -175.7 | 0 | 0 | 0 | 109.9 | E182 A183 L241 R243 | E182-I248 HydrophobicContact CB-CD1 4.41Å; E182-I248 HydrophobicContact CG-CD1 3.91Å; A183-I248 HydrophobicContact CB-CD1 4.21Å; L241-I248 HydrophobicContact CB-CG2 3.87Å; L241-I248 HydrophobicContact CD1-CG2 4Å; L241-I248 HydrophobicContact CG-CG2 4.38Å; R243-I248 HydrophobicContact CB-CG1 4.07Å; R243-I248 HydrophobicContact CG-CG1 3.98Å | ||
| 249 | M | 92.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 14% | 0.138 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.6 | 178.9 | -57.3 | -178.7 | 73.8 | 0 | 0 | 110.5 | L124 H125 V128 L241 F242 P244 P247 V251 | L124-M249 HydrophobicContact CB-CE 4.27Å; L124-M249 HydrophobicContact CB-SD 3.65Å; L124-M249 HydrophobicContact CD1-SD 4.41Å; H125-M249 WeakPolarHBondContact CE1-CE 3.48Å; V128-M249 HydrophobicContact CG2-SD 4.34Å; L241-M249 CarbonylContact C-O 3.59Å; L241-M249 WeakPolarHBondContact CA-O 3.41Å; F242-M249 PolarHBondContact N-O 3.29Å; F242-M249 PolarHBondContact O-N 3.13Å; P244-M249 HydrophobicContact CG-SD 4.22Å; P247-M249 PolarHBondContact O-N 3.2Å; M249-V251 PolarHBondContact O-N 2.78Å |
| 250 | K | 93.1 | Very high | 93 | Very high | 81 Ų | 81 | 53 Ų | 53 | 35% | 0.352 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 120.3 | 168.7 | 179 | -164.8 | -179.3 | -177.7 | 0 | 109.3 | T190 E196 L241 | T190-K250 HydrophobicContact CG2-CD 3.59Å; T190-K250 HydrophobicContact CG2-CG 4.16Å; E196-K250 IonicContact OE1-NZ 3.6Å; E196-K250 PolarHBondContact OE1-NZ 2.96Å; E196-K250 IonicContact OE2-NZ 2.74Å; E196-K250 PolarHBondContact OE2-NZ 3.26Å; L241-K250 HydrophobicContact CD2-CB 4.28Å |
| 251 | V | 92.9 | Very high | 93.1 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -48.7 | 173.7 | -174.4 | 0 | 0 | 0 | 0 | 111 | V128 V133 V240 F242 M249 | V128-V251 HydrophobicContact CG1-CG1 4.01Å; V128-V251 HydrophobicContact CG1-CG2 3.76Å; V133-V251 HydrophobicContact CG1-CB 4.4Å; V133-V251 HydrophobicContact CG1-CG1 3.73Å; V240-V251 HydrophobicContact CB-CB 4.39Å; V240-V251 HydrophobicContact CG1-CB 4.17Å; V240-V251 WeakPolarHBondContact O-CA 3.37Å; V240-V251 WeakPolarHBondContact O-CB 3.43Å; V240-V251 PolarHBondContact O-N 3.49Å; F242-V251 HydrophobicContact CB-CG2 3.52Å; M249-V251 PolarHBondContact O-N 2.78Å |
| 252 | K | 92.3 | Very high | 93.1 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 145.2 | -174.9 | -157.9 | 176.9 | -178.3 | -172.1 | 0 | 112.8 | L239 V240 E254 | L239-K252 WeakPolarHBondContact CA-O 3.45Å; V240-K252 HydrophobicContact CB-CB 3.94Å; V240-K252 HydrophobicContact CG2-CB 4.08Å; V240-K252 PolarHBondContact N-O 2.72Å; V240-K252 PolarHBondContact O-N 2.78Å; V240-K252 VanDerWaalsContact O-N 3.09Å; K252-E254 HydrophobicContact CD-CG 3.75Å; K252-E254 VanDerWaalsContact CD-OE1 3.27Å; K252-E254 WeakPolarHBondContact CD-OE1 3.27Å; K252-E254 WeakPolarHBondContact CE-OE1 3.24Å; K252-E254 HydrophobicContact CG-CG 3.91Å; K252-E254 IonicContact NZ-OE1 2.97Å; K252-E254 PolarHBondContact NZ-OE1 2.96Å |
| 253 | K | 93.9 | Very high | 93.3 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.1 | 168.8 | 178 | 177 | 175.2 | 178.2 | 0 | 108 | E196 N197 L239 | E196-K253 IonicContact OE2-NZ 3.1Å; N197-K253 PolarHBondContact OD1-NZ 3.4Å; L239-K253 HydrophobicContact CD1-CG 4.22Å |
| 254 | E | 93.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.9 | -176.3 | -60.6 | -179.3 | 141.6 | 0 | 0 | 110.7 | K237 R238 K252 L256 | K237-E254 WeakPolarHBondContact CA-O 3.07Å; R238-E254 HydrophobicContact CB-CB 4.3Å; R238-E254 PolarHBondContact N-O 3.13Å; R238-E254 PolarHBondContact O-N 3.3Å; K252-E254 HydrophobicContact CD-CG 3.75Å; K252-E254 VanDerWaalsContact CD-OE1 3.27Å; K252-E254 WeakPolarHBondContact CD-OE1 3.27Å; K252-E254 WeakPolarHBondContact CE-OE1 3.24Å; K252-E254 HydrophobicContact CG-CG 3.91Å; K252-E254 IonicContact NZ-OE1 2.97Å; K252-E254 PolarHBondContact NZ-OE1 2.96Å; E254-L256 HydrophobicContact CB-CD2 4.13Å; E254-L256 HydrophobicContact CB-CG 4.31Å |
| 255 | K | 94.3 | Very high | 94 | Very high | 115 Ų | 115 | 53 Ų | 53 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.4 | 163.3 | -173.5 | 179.1 | 179 | 174.7 | 0 | 107.6 | E235 K237 | E235-K255 IonicContact OE1-NZ 3.6Å; E235-K255 PolarHBondContact OE1-NZ 2.62Å; E235-K255 WeakPolarHBondContact OE2-CE 3.41Å; E235-K255 IonicContact OE2-NZ 2.7Å; E235-K255 PolarHBondContact OE2-NZ 2.95Å; K237-K255 HydrophobicContact CD-CB 4.25Å; K237-K255 HydrophobicContact CD-CG 4.27Å |
| 256 | L | 95.3 | Very high | 94.6 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.4 | -177.7 | -57.4 | 174.8 | 0 | 0 | 0 | 108.8 | E235 F236 R238 E254 M258 L373 | E235-L256 CarbonylContact C-O 3.57Å; E235-L256 WeakPolarHBondContact CA-O 3.49Å; F236-L256 HydrophobicContact CB-CB 4.25Å; F236-L256 PolarHBondContact N-O 3.36Å; F236-L256 PolarHBondContact O-N 2.88Å; R238-L256 HydrophobicContact CB-CD1 3.74Å; R238-L256 HydrophobicContact CB-CG 4.46Å; E254-L256 HydrophobicContact CB-CD2 4.13Å; E254-L256 HydrophobicContact CB-CG 4.31Å; L256-M258 HydrophobicContact CB-CE 4Å; L256-L373 HydrophobicContact CD1-CD2 3.81Å |
| 257 | N | 95.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 43% | 0.428 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 115 | 172.2 | -175.7 | -32 | 0 | 0 | 0 | 108.6 | E235 A259 | E235-N257 HydrophobicContact CG-CB 4.34Å; E235-N257 PolarHBondContact OE1-ND2 2.95Å; N257-A259 WeakPolarHBondContact OD1-CB 3.31Å; N257-A259 PolarHBondContact OD1-N 2.68Å |
| 258 | M | 95.1 | Very high | 95.5 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | trans | -103.5 | 9.5 | -176.4 | -64.2 | -60.4 | 122.7 | 0 | 0 | 112.8 | H234 F236 L256 N260 T261 R293 R372 L373 | H234-M258 PolarHBondContact O-N 2.8Å; F236-M258 HydrophobicContact CD2-CG 4.17Å; F236-M258 HydrophobicContact CE2-CB 4.15Å; F236-M258 HydrophobicContact CE2-CG 4.08Å; L256-M258 HydrophobicContact CB-CE 4Å; M258-N260 PolarHBondContact O-N 2.97Å; M258-T261 PolarHBondContact O-N 3.46Å; M258-T261 VanDerWaalsContact O-N 3.17Å; M258-R293 PolarHBondContact O-NH1 2.88Å; M258-R372 HydrophobicContact CG-CB 4.21Å; M258-R372 HydrophobicContact SD-CB 3.92Å; M258-L373 HydrophobicContact CG-CD2 4.32Å | ||
| 259 | A | 93.9 | Very high | 95.6 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 26% | 0.264 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -38.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H234 N257 R293 | H234-A259 HydrophobicContact CB-CB 4.35Å; N257-A259 WeakPolarHBondContact OD1-CB 3.31Å; N257-A259 PolarHBondContact OD1-N 2.68Å; A259-R293 WeakPolarHBondContact O-CD 3.3Å; A259-R293 PolarHBondContact O-NH1 3Å |
| 260 | N | 93.6 | Very high | 95.8 | Very high | 159 Ų | 159 | 39.3 Ų | 39.3 | 85% | 0.85 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 8.5 | -175.8 | -61.1 | -30.7 | 0 | 0 | 0 | 113.9 | M258 L262 | M258-N260 PolarHBondContact O-N 2.97Å; N260-L262 PolarHBondContact O-N 2.96Å |
| 261 | T | 96.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | trans | -84.8 | 94.6 | -177.5 | -50.6 | 0 | 0 | 0 | 0 | 110.4 | M258 L353 R372 | M258-T261 PolarHBondContact O-N 3.46Å; M258-T261 VanDerWaalsContact O-N 3.17Å; T261-L353 HydrophobicContact CG2-CD2 4.31Å; T261-R372 HydrophobicContact CG2-CB 4.36Å; T261-R372 HydrophobicContact CG2-CG 3.82Å; T261-R372 PolarHBondContact O-NE 3.31Å | ||
| 262 | L | 97.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 43.3 Ų | 43.3 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | trans | -72.7 | 134.6 | 174.9 | -174.2 | 75.1 | 0 | 0 | 0 | 111.1 | N260 H295 W347 V352 L353 | N260-L262 PolarHBondContact O-N 2.96Å; L262-H295 HydrophobicContact CD2-CB 4.29Å; L262-W347 HydrophobicContact CD2-CH2 3.52Å; L262-W347 HydrophobicContact CD2-CZ2 3.97Å; L262-V352 HydrophobicContact CB-CG2 4.38Å; L262-V352 HydrophobicContact CD2-CG2 4.22Å; L262-V352 HydrophobicContact CG-CG2 4.39Å; L262-V352 WeakPolarHBondContact O-CG2 3.13Å; L262-L353 PolarHBondContact O-N 2.94Å | ||
| 263 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.2 | 168.8 | -60.1 | 171.4 | 0 | 0 | 0 | 109.1 | V265 R293 V294 H295 L353 F355 L368 C371 R372 | I263-V265 HydrophobicContact CG2-CG2 4.04Å; I263-R293 PolarHBondContact N-O 3.24Å; I263-V294 CarbonylContact O-C 3.6Å; I263-V294 VanDerWaalsContact O-CA 3.32Å; I263-V294 WeakPolarHBondContact O-CA 3.45Å; I263-H295 PolarHBondContact O-N 2.72Å; I263-L353 CarbonylContact C-O 3.6Å; I263-L353 WeakPolarHBondContact CA-O 3.47Å; I263-L353 HydrophobicContact CG1-CD2 3.96Å; I263-L353 HydrophobicContact CG1-CG 4.28Å; I263-F355 HydrophobicContact CG2-CB 3.71Å; I263-L368 HydrophobicContact CD1-CB 3.88Å; I263-L368 HydrophobicContact CD1-CD2 3.86Å; I263-L368 HydrophobicContact CD1-CG 4.44Å; I263-L368 WeakPolarHBondContact CD1-O 3.41Å; I263-C371 HydrophobicContact CD1-CB 4.39Å; I263-R372 HydrophobicContact CD1-CG 3.98Å; I263-R372 VanDerWaalsContact CD1-CZ 3.43Å; I263-R372 HydrophobicContact CG1-CG 4.14Å |
| 264 | N | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 107 | 165.5 | -177.5 | 15.5 | 0 | 0 | 0 | 109.6 | H295 T297 W347 V352 L353 L354 F355 | N264-H295 CarbonylContact C-O 3.48Å; N264-H295 WeakPolarHBondContact CA-O 3.48Å; N264-H295 HydrophobicContact CB-CB 4.46Å; N264-H295 PolarHBondContact OD1-CD2 2.74Å; N264-H295 PolarHBondContact OD1-O 3.38Å; N264-T297 PolarHBondContact ND2-OG1 3.03Å; N264-T297 VanDerWaalsContact ND2-OG1 3.12Å; N264-T297 WeakPolarHBondContact OD1-CB 3.44Å; N264-T297 PolarHBondContact OD1-OG1 2.88Å; N264-W347 HydrophobicContact CB-CE3 4.39Å; N264-W347 HydrophobicContact CB-CZ3 4.4Å; N264-V352 HydrophobicContact CB-CG1 4.46Å; N264-V352 HydrophobicContact CB-CG2 4.07Å; N264-L353 PolarHBondContact N-O 3.17Å; N264-L354 HydrophobicContact CB-CD2 4.11Å; N264-L354 WeakPolarHBondContact O-CA 3.45Å; N264-F355 PolarHBondContact O-N 3.25Å |
| 265 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 115.7 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | I263 V267 F279 F283 V294 H295 L296 T297 F355 C357 | I263-V265 HydrophobicContact CG2-CG2 4.04Å; V265-V267 HydrophobicContact CG1-CG2 4.03Å; V265-F279 HydrophobicContact CG1-CZ 4.26Å; V265-F283 HydrophobicContact CG2-CE2 4.41Å; V265-V294 HydrophobicContact CG2-CG1 3.58Å; V265-H295 PolarHBondContact N-O 2.98Å; V265-L296 HydrophobicContact CB-CD1 4.37Å; V265-T297 PolarHBondContact O-N 2.84Å; V265-F355 WeakPolarHBondContact CA-O 3.39Å; V265-F355 HydrophobicContact CB-CD1 4.49Å; V265-F355 HydrophobicContact CG1-CD1 3.9Å; V265-F355 HydrophobicContact CG1-CE1 4.47Å; V265-F355 HydrophobicContact CG2-CB 4.41Å; V265-F355 HydrophobicContact CG2-CD1 4.04Å; V265-C357 HydrophobicContact CG1-CB 3.73Å |
| 266 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.3 | -179.4 | -59.4 | 164.4 | 0 | 0 | 0 | 108.8 | T297 V299 L340 A344 L354 F355 F356 C357 | I266-T297 WeakPolarHBondContact CA-O 3.36Å; I266-V299 HydrophobicContact CG2-CG2 4.26Å; I266-L340 HydrophobicContact CB-CD2 4.28Å; I266-L340 HydrophobicContact CG2-CD2 3.95Å; I266-A344 HydrophobicContact CD1-CB 4.08Å; I266-L354 HydrophobicContact CD1-CB 4.44Å; I266-L354 HydrophobicContact CD1-CD1 4.44Å; I266-L354 HydrophobicContact CD1-CD2 3.84Å; I266-L354 HydrophobicContact CD1-CG 4.48Å; I266-F355 PolarHBondContact N-O 3Å; I266-F356 HydrophobicContact CB-CD1 4.35Å; I266-F356 HydrophobicContact CD1-CD1 4.1Å; I266-F356 HydrophobicContact CD1-CE1 3.73Å; I266-C357 PolarHBondContact O-N 3.39Å; I266-C357 VanDerWaalsContact O-N 3.1Å |
| 267 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 106.9 | -177.2 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | V265 F279 L296 T297 V299 C357 V359 | V265-V267 HydrophobicContact CG1-CG2 4.03Å; V267-F279 HydrophobicContact CG2-CE1 3.97Å; V267-F279 HydrophobicContact CG2-CE2 4.1Å; V267-F279 HydrophobicContact CG2-CZ 3.55Å; V267-L296 HydrophobicContact CG2-CD1 4Å; V267-T297 PolarHBondContact N-O 2.84Å; V267-V299 PolarHBondContact O-N 2.86Å; V267-C357 HydrophobicContact CG2-CB 4.37Å; V267-V359 HydrophobicContact CG1-CB 4.12Å |
| 268 | P | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 135.6 | 169 | 33.4 | -33 | 0 | 0 | 0 | 109.6 | V299 F301 F334 R336 L340 C357 | P268-V299 CarbonylContact C-O 3.57Å; P268-V299 WeakPolarHBondContact CA-O 3.36Å; P268-F301 HydrophobicContact CB-CE2 4.42Å; P268-F334 HydrophobicContact CB-CE2 3.92Å; P268-F334 HydrophobicContact CB-CZ 4.33Å; P268-F334 HydrophobicContact CG-CZ 4.49Å; P268-R336 HydrophobicContact CG-CG 4.09Å; P268-L340 HydrophobicContact CG-CD2 4.02Å; P268-L340 HydrophobicContact CG-CG 4.07Å; P268-C357 WeakPolarHBondContact CD-O 3.39Å |
| 269 | L | 96.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.9 | -172.3 | -174.1 | 66.7 | 0 | 0 | 0 | 112.5 | R272 F276 V298 V299 Y300 F301 V309 V359 | L269-R272 HydrophobicContact CD1-CB 3.9Å; L269-F276 HydrophobicContact CD1-CB 4.3Å; L269-F276 HydrophobicContact CD2-CB 3.81Å; L269-F276 HydrophobicContact CD2-CD1 4.3Å; L269-F276 HydrophobicContact CD2-CD2 3.72Å; L269-F276 HydrophobicContact CD2-CE2 4.38Å; L269-F276 HydrophobicContact CD2-CG 3.67Å; L269-V298 HydrophobicContact CB-CG1 4.48Å; L269-V298 HydrophobicContact CD2-CG1 4.45Å; L269-V299 PolarHBondContact N-O 2.78Å; L269-Y300 HydrophobicContact CB-CD2 4.06Å; L269-Y300 HydrophobicContact CD2-CD2 3.91Å; L269-Y300 HydrophobicContact CD2-CE2 4.01Å; L269-Y300 HydrophobicContact CG-CD2 3.98Å; L269-Y300 HydrophobicContact CG-CE2 4Å; L269-Y300 CarbonylContact O-C 3.6Å; L269-Y300 WeakPolarHBondContact O-CA 3.44Å; L269-F301 PolarHBondContact O-N 2.98Å; L269-V309 HydrophobicContact CD2-CG1 4.06Å; L269-V309 HydrophobicContact CD2-CG2 3.94Å; L269-V359 HydrophobicContact CD1-CB 4.14Å; L269-V359 HydrophobicContact CD1-CG1 4.15Å; L269-V359 HydrophobicContact CD1-CG2 3.98Å |
| 270 | A | 95 | Very high | 96.8 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -154.2 | 135.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | R272 F301 F334 | A270-R272 VanDerWaalsContact C-N 3.27Å; A270-R272 WeakPolarHBondContact O-CG 3.31Å; A270-R272 PolarHBondContact O-N 3.05Å; A270-R272 VanDerWaalsContact O-N 3.12Å; A270-F301 HydrophobicContact CB-CB 4.12Å; A270-F334 HydrophobicContact CB-CB 3.77Å; A270-F334 HydrophobicContact CB-CD2 3.69Å; A270-F334 HydrophobicContact CB-CG 4Å |
| 271 | K | 92.3 | Very high | 96.9 | Very high | 122 Ų | 122 | 37 Ų | 37 | 53% | 0.53 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 48.8 | 39.4 | 169.6 | -52 | -169.3 | -173.5 | -151.3 | 0 | 115.5 | E304 E305 | K271-E304 WeakPolarHBondContact CD-OE2 3.46Å; K271-E304 VanDerWaalsContact CE-CD 3.43Å; K271-E304 VanDerWaalsContact CE-OE1 3.25Å; K271-E304 WeakPolarHBondContact CE-OE1 3.29Å; K271-E304 WeakPolarHBondContact CE-OE2 3.32Å; K271-E304 IonicContact NZ-OE1 3.1Å; K271-E304 PolarHBondContact NZ-OE1 3.44Å; K271-E304 IonicContact NZ-OE2 2.73Å; K271-E304 PolarHBondContact NZ-OE2 3.2Å; K271-E305 WeakPolarHBondContact CA-OE2 3.37Å |
| 272 | R | 94.1 | Very high | 96.9 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 29% | 0.287 | 17% | 0.17 | S | C | . | . | trans | -143.9 | 42.6 | -173 | -71.5 | -165.7 | 77.6 | -174.9 | 6.5 | 112.7 | L269 A270 D274 K275 F276 E305 D360 | L269-R272 HydrophobicContact CD1-CB 3.9Å; A270-R272 VanDerWaalsContact C-N 3.27Å; A270-R272 WeakPolarHBondContact O-CG 3.31Å; A270-R272 PolarHBondContact O-N 3.05Å; A270-R272 VanDerWaalsContact O-N 3.12Å; R272-D274 VanDerWaalsContact C-N 3.27Å; R272-D274 PolarHBondContact O-N 2.99Å; R272-K275 HydrophobicContact CB-CB 4.4Å; R272-K275 PolarHBondContact O-N 3.04Å; R272-F276 PolarHBondContact O-N 2.93Å; R272-E305 PolarHBondContact N-OE2 3.11Å; R272-D360 IonicContact CZ-OD1 3.67Å; R272-D360 VanDerWaalsContact CZ-OD1 3.25Å; R272-D360 IonicContact CZ-OD2 2.62Å; R272-D360 IonicContact NH1-OD1 3.97Å; R272-D360 IonicContact NH1-OD2 2.66Å; R272-D360 PolarHBondContact NH1-OD2 3.4Å; R272-D360 IonicContact NH2-OD1 2.82Å; R272-D360 PolarHBondContact NH2-OD1 3.37Å; R272-D360 IonicContact NH2-OD2 2.95Å; R272-D360 PolarHBondContact NH2-OD2 3.38Å | ||
| 273 | V | 96.1 | Very high | 97 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.1 | -41 | -179.8 | 169.4 | 0 | 0 | 0 | 0 | 113.1 | K275 F276 R277 E305 E308 V309 I312 | V273-K275 VanDerWaalsContact C-N 3.29Å; V273-K275 PolarHBondContact O-N 2.96Å; V273-F276 CarbonylContact O-C 3.39Å; V273-F276 WeakPolarHBondContact O-CB 3.28Å; V273-F276 PolarHBondContact O-N 2.91Å; V273-R277 PolarHBondContact O-N 2.8Å; V273-E305 HydrophobicContact CG2-CB 3.55Å; V273-E305 HydrophobicContact CG2-CG 4.14Å; V273-E305 WeakPolarHBondContact CG2-OE2 3.48Å; V273-E305 PolarHBondContact N-OE2 3.19Å; V273-E308 HydrophobicContact CG1-CB 4.06Å; V273-E308 HydrophobicContact CG2-CB 4.05Å; V273-V309 HydrophobicContact CG2-CG2 3.65Å; V273-I312 HydrophobicContact CG1-CD1 3.86Å |
| 274 | D | 95 | Very high | 96.9 | Very high | 115 Ų | 115 | 38.1 Ų | 38.1 | 62% | 0.615 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -62.3 | -39.7 | -178 | -67.8 | -33.4 | 0 | 0 | 0 | 112.6 | R272 R277 Q278 | R272-D274 VanDerWaalsContact C-N 3.27Å; R272-D274 PolarHBondContact O-N 2.99Å; D274-R277 WeakPolarHBondContact O-CB 3.39Å; D274-R277 PolarHBondContact O-N 2.77Å; D274-R277 IonicContact OD1-CZ 2.7Å; D274-R277 IonicContact OD1-NH1 3.89Å; D274-R277 PolarHBondContact OD1-NH1 3.01Å; D274-R277 IonicContact OD1-NH2 3.75Å; D274-Q278 PolarHBondContact O-N 3.16Å |
| 275 | K | 95.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.4 | -37.1 | 177.3 | -62.2 | -70.4 | -170.1 | 179.5 | 0 | 110.9 | R272 V273 R277 Q278 F279 V359 D360 | R272-K275 HydrophobicContact CB-CB 4.4Å; R272-K275 PolarHBondContact O-N 3.04Å; V273-K275 VanDerWaalsContact C-N 3.29Å; V273-K275 PolarHBondContact O-N 2.96Å; K275-R277 VanDerWaalsContact C-N 3.29Å; K275-R277 PolarHBondContact O-N 3.38Å; K275-Q278 PolarHBondContact O-N 3.39Å; K275-F279 WeakPolarHBondContact O-CB 3.16Å; K275-F279 PolarHBondContact O-N 3.25Å; K275-V359 HydrophobicContact CB-CG1 4.15Å; K275-V359 HydrophobicContact CB-CG2 4.32Å; K275-D360 WeakPolarHBondContact CD-OD1 3.49Å |
| 276 | F | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 171.4 | -174.3 | -111.3 | 0 | 0 | 0 | 112.5 | L269 R272 V273 F279 M280 V298 V309 I312 L313 V359 | L269-F276 HydrophobicContact CD1-CB 4.3Å; L269-F276 HydrophobicContact CD2-CB 3.81Å; L269-F276 HydrophobicContact CD2-CD1 4.3Å; L269-F276 HydrophobicContact CD2-CD2 3.72Å; L269-F276 HydrophobicContact CD2-CE2 4.38Å; L269-F276 HydrophobicContact CD2-CG 3.67Å; R272-F276 PolarHBondContact O-N 2.93Å; V273-F276 CarbonylContact O-C 3.39Å; V273-F276 WeakPolarHBondContact O-CB 3.28Å; V273-F276 PolarHBondContact O-N 2.91Å; F276-F279 HydrophobicContact CD2-CD1 4.29Å; F276-F279 HydrophobicContact CE2-CD1 4.22Å; F276-F279 PolarHBondContact O-N 2.84Å; F276-M280 HydrophobicContact CD1-CG 4.11Å; F276-M280 HydrophobicContact CD2-CG 4.27Å; F276-M280 HydrophobicContact CE1-CG 3.66Å; F276-M280 HydrophobicContact CE1-SD 4.36Å; F276-M280 HydrophobicContact CE2-CG 3.84Å; F276-M280 HydrophobicContact CE2-SD 3.95Å; F276-M280 HydrophobicContact CG-CG 4.39Å; F276-M280 HydrophobicContact CZ-CG 3.51Å; F276-M280 HydrophobicContact CZ-SD 3.66Å; F276-M280 WeakPolarHBondContact O-CB 3.47Å; F276-M280 VanDerWaalsContact O-CG 3.26Å; F276-M280 WeakPolarHBondContact O-CG 3.34Å; F276-M280 PolarHBondContact O-N 3.13Å; F276-V298 HydrophobicContact CE2-CG1 4.43Å; F276-V298 HydrophobicContact CE2-CG2 3.9Å; F276-V298 HydrophobicContact CZ-CG2 3.96Å; F276-V309 HydrophobicContact CD1-CB 4.49Å; F276-V309 HydrophobicContact CD1-CG1 3.94Å; F276-V309 HydrophobicContact CD1-CG2 4.43Å; F276-V309 HydrophobicContact CE1-CB 4.49Å; F276-V309 HydrophobicContact CE1-CG1 3.65Å; F276-V309 HydrophobicContact CZ-CG1 4.16Å; F276-I312 HydrophobicContact CD1-CB 4.37Å; F276-I312 HydrophobicContact CD1-CD1 3.97Å; F276-I312 HydrophobicContact CD1-CG2 4.16Å; F276-I312 HydrophobicContact CE1-CB 4.09Å; F276-I312 HydrophobicContact CE1-CG2 3.85Å; F276-L313 HydrophobicContact CE1-CG 4.25Å; F276-L313 HydrophobicContact CZ-CD2 3.93Å; F276-L313 HydrophobicContact CZ-CG 4.07Å; F276-V359 VanDerWaalsContact CA-CG2 3.47Å; F276-V359 HydrophobicContact CB-CG2 3.99Å; F276-V359 HydrophobicContact CD2-CG2 4.14Å |
| 277 | R | 97.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -45 | 174.6 | -167.3 | -178.7 | -62 | 110.2 | 0.4 | 111.2 | V273 D274 K275 M280 Q281 I312 | V273-R277 PolarHBondContact O-N 2.8Å; D274-R277 WeakPolarHBondContact O-CB 3.39Å; D274-R277 PolarHBondContact O-N 2.77Å; D274-R277 IonicContact OD1-CZ 2.7Å; D274-R277 IonicContact OD1-NH1 3.89Å; D274-R277 PolarHBondContact OD1-NH1 3.01Å; D274-R277 IonicContact OD1-NH2 3.75Å; K275-R277 VanDerWaalsContact C-N 3.29Å; K275-R277 PolarHBondContact O-N 3.38Å; R277-M280 PolarHBondContact O-N 2.98Å; R277-Q281 WeakPolarHBondContact O-CG 3.22Å; R277-Q281 PolarHBondContact O-N 2.79Å; R277-Q281 VanDerWaalsContact O-N 3.11Å; R277-I312 HydrophobicContact CB-CD1 4.15Å; R277-I312 HydrophobicContact CG-CD1 4.49Å |
| 278 | Q | 95.9 | Very high | 96.6 | Very high | 63 Ų | 63 | 44 Ų | 44 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.7 | -174.1 | 174.7 | 29.8 | 0 | 0 | 111.8 | D274 K275 M280 Q281 N282 | D274-Q278 PolarHBondContact O-N 3.16Å; K275-Q278 PolarHBondContact O-N 3.39Å; Q278-M280 VanDerWaalsContact C-N 3.32Å; Q278-M280 PolarHBondContact O-N 3.34Å; Q278-Q281 WeakPolarHBondContact O-CB 3.43Å; Q278-Q281 PolarHBondContact O-N 3.14Å; Q278-N282 PolarHBondContact O-N 2.67Å |
| 279 | F | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | 173.9 | 175.5 | -92 | 0 | 0 | 0 | 111.7 | V265 V267 K275 F276 Q281 N282 F283 L296 V359 F363 | V265-F279 HydrophobicContact CG1-CZ 4.26Å; V267-F279 HydrophobicContact CG2-CE1 3.97Å; V267-F279 HydrophobicContact CG2-CE2 4.1Å; V267-F279 HydrophobicContact CG2-CZ 3.55Å; K275-F279 WeakPolarHBondContact O-CB 3.16Å; K275-F279 PolarHBondContact O-N 3.25Å; F276-F279 HydrophobicContact CD2-CD1 4.29Å; F276-F279 HydrophobicContact CE2-CD1 4.22Å; F276-F279 PolarHBondContact O-N 2.84Å; F279-Q281 VanDerWaalsContact C-N 3.28Å; F279-Q281 PolarHBondContact O-N 2.98Å; F279-N282 PolarHBondContact O-N 3.09Å; F279-F283 HydrophobicContact CD1-CB 4.48Å; F279-F283 HydrophobicContact CE1-CB 4.15Å; F279-F283 HydrophobicContact CE1-CD2 4.1Å; F279-F283 HydrophobicContact CE1-CG 4.39Å; F279-F283 HydrophobicContact CZ-CD2 4.17Å; F279-F283 WeakPolarHBondContact O-CB 3.46Å; F279-F283 PolarHBondContact O-N 3.04Å; F279-L296 HydrophobicContact CE1-CD1 3.97Å; F279-L296 HydrophobicContact CZ-CD1 4.29Å; F279-V359 HydrophobicContact CB-CG2 3.9Å; F279-V359 WeakPolarHBondContact CB-O 3.32Å; F279-V359 HydrophobicContact CG-CG2 4.34Å; F279-F363 AromaticContact CE2-CE1 3.94Å; F279-F363 HydrophobicContact CE2-CE1 3.94Å; F279-F363 HydrophobicContact CZ-CE1 4.37Å |
| 280 | M | 98.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.9 | -27.2 | -178.7 | -74.4 | -59.3 | -55.8 | 0 | 0 | 113 | F276 R277 Q278 F283 R284 L296 I312 L313 T316 | F276-M280 HydrophobicContact CD1-CG 4.11Å; F276-M280 HydrophobicContact CD2-CG 4.27Å; F276-M280 HydrophobicContact CE1-CG 3.66Å; F276-M280 HydrophobicContact CE1-SD 4.36Å; F276-M280 HydrophobicContact CE2-CG 3.84Å; F276-M280 HydrophobicContact CE2-SD 3.95Å; F276-M280 HydrophobicContact CG-CG 4.39Å; F276-M280 HydrophobicContact CZ-CG 3.51Å; F276-M280 HydrophobicContact CZ-SD 3.66Å; F276-M280 WeakPolarHBondContact O-CB 3.47Å; F276-M280 VanDerWaalsContact O-CG 3.26Å; F276-M280 WeakPolarHBondContact O-CG 3.34Å; F276-M280 PolarHBondContact O-N 3.13Å; R277-M280 PolarHBondContact O-N 2.98Å; Q278-M280 VanDerWaalsContact C-N 3.32Å; Q278-M280 PolarHBondContact O-N 3.34Å; M280-F283 HydrophobicContact CE-CD1 4.22Å; M280-F283 HydrophobicContact SD-CB 4.38Å; M280-R284 WeakPolarHBondContact O-CB 3.21Å; M280-R284 VanDerWaalsContact O-CG 3.23Å; M280-R284 WeakPolarHBondContact O-CG 3.01Å; M280-R284 PolarHBondContact O-N 3.15Å; M280-L296 HydrophobicContact CE-CD2 4.1Å; M280-L296 HydrophobicContact SD-CD2 3.54Å; M280-L296 VanDerWaalsContact SD-CD2 3.54Å; M280-I312 HydrophobicContact CB-CG2 3.88Å; M280-I312 HydrophobicContact CG-CG2 3.7Å; M280-L313 HydrophobicContact CE-CD2 4.16Å; M280-L313 HydrophobicContact SD-CD2 4.26Å; M280-T316 HydrophobicContact CE-CG2 3.79Å |
| 281 | Q | 96.6 | Very high | 96.6 | Very high | 127 Ų | 127 | 53.3 Ų | 53.3 | 59% | 0.593 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.5 | -50.2 | 169.8 | -71.2 | 169.3 | -10.9 | 0 | 0 | 110.7 | R277 Q278 F279 F283 R284 E285 | R277-Q281 WeakPolarHBondContact O-CG 3.22Å; R277-Q281 PolarHBondContact O-N 2.79Å; R277-Q281 VanDerWaalsContact O-N 3.11Å; Q278-Q281 WeakPolarHBondContact O-CB 3.43Å; Q278-Q281 PolarHBondContact O-N 3.14Å; F279-Q281 VanDerWaalsContact C-N 3.28Å; F279-Q281 PolarHBondContact O-N 2.98Å; Q281-F283 VanDerWaalsContact C-N 3.35Å; Q281-F283 PolarHBondContact O-N 3.28Å; Q281-R284 PolarHBondContact O-N 2.67Å; Q281-E285 PolarHBondContact O-N 3Å |
| 282 | N | 97.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 175.2 | 175.5 | -110.8 | 0 | 0 | 0 | 112.1 | Q278 F279 R284 E285 M286 Y362 F363 | Q278-N282 PolarHBondContact O-N 2.67Å; F279-N282 PolarHBondContact O-N 3.09Å; N282-R284 VanDerWaalsContact C-N 3.34Å; N282-R284 PolarHBondContact O-N 2.7Å; N282-E285 PolarHBondContact O-N 3.46Å; N282-M286 WeakPolarHBondContact ND2-CG 3.37Å; N282-M286 WeakPolarHBondContact O-CB 3.46Å; N282-M286 WeakPolarHBondContact O-CG 3.43Å; N282-M286 PolarHBondContact O-N 2.99Å; N282-Y362 HydrophobicContact CB-CD2 4.05Å; N282-Y362 HydrophobicContact CB-CE2 4.17Å; N282-Y362 VanDerWaalsContact ND2-CD2 3.34Å; N282-Y362 WeakPolarHBondContact ND2-CD2 3.44Å; N282-Y362 WeakPolarHBondContact ND2-CE2 3.35Å; N282-Y362 VanDerWaalsContact ND2-CZ 3.28Å; N282-F363 PolarHBondContact ND2-O 3.38Å; N282-F363 PolarHBondContact OD1-N 3.2Å; N282-F363 PolarHBondContact OD1-O 3.11Å |
| 283 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 178 | -173.2 | -86.6 | 0 | 0 | 0 | 111.7 | V265 F279 M280 Q281 C287 I288 V294 L296 F322 | V265-F283 HydrophobicContact CG2-CE2 4.41Å; F279-F283 HydrophobicContact CD1-CB 4.48Å; F279-F283 HydrophobicContact CE1-CB 4.15Å; F279-F283 HydrophobicContact CE1-CD2 4.1Å; F279-F283 HydrophobicContact CE1-CG 4.39Å; F279-F283 HydrophobicContact CZ-CD2 4.17Å; F279-F283 WeakPolarHBondContact O-CB 3.46Å; F279-F283 PolarHBondContact O-N 3.04Å; M280-F283 HydrophobicContact CE-CD1 4.22Å; M280-F283 HydrophobicContact SD-CB 4.38Å; Q281-F283 VanDerWaalsContact C-N 3.35Å; Q281-F283 PolarHBondContact O-N 3.28Å; F283-C287 HydrophobicContact CD1-CB 4.1Å; F283-C287 HydrophobicContact CD2-CB 3.88Å; F283-C287 WeakPolarHBondContact CD2-SG 2.89Å; F283-C287 HydrophobicContact CE1-CB 3.92Å; F283-C287 HydrophobicContact CE2-CB 3.69Å; F283-C287 VanDerWaalsContact CE2-SG 3.51Å; F283-C287 HydrophobicContact CG-CB 4.06Å; F283-C287 HydrophobicContact CZ-CB 3.69Å; F283-C287 WeakPolarHBondContact O-CA 3.3Å; F283-C287 WeakPolarHBondContact O-CB 3.35Å; F283-C287 PolarHBondContact O-N 3.48Å; F283-I288 HydrophobicContact CD1-CD1 4.02Å; F283-I288 HydrophobicContact CD1-CG1 4.01Å; F283-I288 HydrophobicContact CE1-CD1 3.97Å; F283-I288 HydrophobicContact CE1-CG1 3.77Å; F283-I288 PolarHBondContact O-N 3.08Å; F283-V294 HydrophobicContact CE2-CG1 3.76Å; F283-V294 HydrophobicContact CZ-CB 4.43Å; F283-V294 HydrophobicContact CZ-CG1 3.86Å; F283-L296 HydrophobicContact CD2-CD1 4.31Å; F283-L296 HydrophobicContact CE1-CB 4.25Å; F283-L296 HydrophobicContact CE1-CD2 4.41Å; F283-L296 HydrophobicContact CE2-CB 3.9Å; F283-L296 HydrophobicContact CE2-CD1 4.04Å; F283-L296 HydrophobicContact CE2-CD2 4.45Å; F283-L296 HydrophobicContact CE2-CG 4.34Å; F283-L296 HydrophobicContact CZ-CB 3.63Å; F283-L296 HydrophobicContact CZ-CD2 4.4Å; F283-L296 HydrophobicContact CZ-CG 4.41Å; F283-F322 AromaticContact CE1-CE1 3.75Å; F283-F322 HydrophobicContact CE1-CE1 3.75Å; F283-F322 HydrophobicContact CE1-CE2 4.44Å; F283-F322 AromaticContact CE1-CZ 3.71Å; F283-F322 HydrophobicContact CE1-CZ 3.71Å; F283-F322 HydrophobicContact CZ-CE1 4.23Å; F283-F322 AromaticContact CZ-CZ 3.89Å; F283-F322 HydrophobicContact CZ-CZ 3.89Å |
| 284 | R | 97.7 | Very high | 97 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -59.4 | -52.2 | 177.3 | -78.6 | 177 | 61.9 | 170 | -1.1 | 111.8 | M280 Q281 N282 I288 E289 T316 | M280-R284 WeakPolarHBondContact O-CB 3.21Å; M280-R284 VanDerWaalsContact O-CG 3.23Å; M280-R284 WeakPolarHBondContact O-CG 3.01Å; M280-R284 PolarHBondContact O-N 3.15Å; Q281-R284 PolarHBondContact O-N 2.67Å; N282-R284 VanDerWaalsContact C-N 3.34Å; N282-R284 PolarHBondContact O-N 2.7Å; R284-I288 HydrophobicContact CG-CD1 4.07Å; R284-I288 WeakPolarHBondContact O-CB 3.44Å; R284-I288 PolarHBondContact O-N 3.45Å; R284-E289 WeakPolarHBondContact O-CG 3.29Å; R284-E289 PolarHBondContact O-N 3.14Å; R284-T316 HydrophobicContact CG-CG2 3.58Å |
| 285 | E | 96.7 | Very high | 97.1 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -66.3 | -50.2 | -177.5 | -168.2 | -176.2 | 168.8 | 0 | 0 | 111.5 | Q281 N282 E289 Q290 | Q281-E285 PolarHBondContact O-N 3Å; N282-E285 PolarHBondContact O-N 3.46Å; E285-E289 WeakPolarHBondContact O-CB 3.18Å; E285-Q290 WeakPolarHBondContact O-CB 3.43Å; E285-Q290 VanDerWaalsContact O-CG 3.31Å; E285-Q290 WeakPolarHBondContact O-CG 3.44Å; E285-Q290 PolarHBondContact O-N 3.5Å; E285-Q290 VanDerWaalsContact O-N 3.07Å |
| 286 | M | 97.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -85.6 | -36.6 | -169.7 | -58.4 | -61.9 | 151.5 | 0 | 0 | 113.3 | N282 D291 F363 | N282-M286 WeakPolarHBondContact ND2-CG 3.37Å; N282-M286 WeakPolarHBondContact O-CB 3.46Å; N282-M286 WeakPolarHBondContact O-CG 3.43Å; N282-M286 PolarHBondContact O-N 2.99Å; M286-D291 WeakPolarHBondContact O-CB 3.49Å; M286-D291 PolarHBondContact O-N 2.82Å; M286-F363 WeakPolarHBondContact CG-O 3.34Å |
| 287 | C | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -93.7 | -42.8 | -176.9 | -58 | 0 | 0 | 0 | 0 | 113 | F283 G292 V294 F363 | F283-C287 HydrophobicContact CD1-CB 4.1Å; F283-C287 HydrophobicContact CD2-CB 3.88Å; F283-C287 WeakPolarHBondContact CD2-SG 2.89Å; F283-C287 HydrophobicContact CE1-CB 3.92Å; F283-C287 HydrophobicContact CE2-CB 3.69Å; F283-C287 VanDerWaalsContact CE2-SG 3.51Å; F283-C287 HydrophobicContact CG-CB 4.06Å; F283-C287 HydrophobicContact CZ-CB 3.69Å; F283-C287 WeakPolarHBondContact O-CA 3.3Å; F283-C287 WeakPolarHBondContact O-CB 3.35Å; F283-C287 PolarHBondContact O-N 3.48Å; C287-G292 WeakPolarHBondContact O-CA 3.39Å; C287-G292 PolarHBondContact O-N 3.23Å; C287-V294 HydrophobicContact CB-CB 3.9Å; C287-V294 HydrophobicContact CB-CG1 4.06Å; C287-V294 HydrophobicContact CB-CG2 3.81Å; C287-F363 WeakPolarHBondContact SG-CE2 3.44Å; C287-F363 VanDerWaalsContact SG-CZ 3.57Å |
| 288 | I | 97.1 | Very high | 97.4 | Very high | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -87.5 | -51.7 | -174 | -52.8 | 177.5 | 0 | 0 | 0 | 110.4 | F283 R284 T316 A320 F322 | F283-I288 HydrophobicContact CD1-CD1 4.02Å; F283-I288 HydrophobicContact CD1-CG1 4.01Å; F283-I288 HydrophobicContact CE1-CD1 3.97Å; F283-I288 HydrophobicContact CE1-CG1 3.77Å; F283-I288 PolarHBondContact O-N 3.08Å; R284-I288 HydrophobicContact CG-CD1 4.07Å; R284-I288 WeakPolarHBondContact O-CB 3.44Å; R284-I288 PolarHBondContact O-N 3.45Å; I288-T316 HydrophobicContact CD1-CG2 3.79Å; I288-A320 HydrophobicContact CD1-CB 4.34Å; I288-A320 HydrophobicContact CG2-CB 4.06Å; I288-F322 HydrophobicContact CD1-CB 3.8Å; I288-F322 HydrophobicContact CD1-CD1 3.89Å; I288-F322 HydrophobicContact CD1-CD2 3.9Å; I288-F322 HydrophobicContact CD1-CE1 4.41Å; I288-F322 HydrophobicContact CD1-CE2 4.43Å; I288-F322 HydrophobicContact CD1-CG 3.59Å; I288-F322 HydrophobicContact CG1-CD2 3.81Å; I288-F322 HydrophobicContact CG1-CE2 4.06Å; I288-F322 HydrophobicContact CG1-CG 4.06Å; I288-F322 HydrophobicContact CG2-CB 4.43Å; I288-F322 HydrophobicContact CG2-CD2 4.19Å |
| 289 | E | 96.4 | Very high | 97.5 | Very high | 127 Ų | 127 | 33 Ų | 33 | 59% | 0.593 | 16% | 0.164 | S | C | * | . | I | π-helix | trans | -79.6 | -43.4 | -173.4 | -65.5 | 167.6 | -166.3 | 0 | 0 | 112.4 | R284 E285 | R284-E289 WeakPolarHBondContact O-CG 3.29Å; R284-E289 PolarHBondContact O-N 3.14Å; E285-E289 WeakPolarHBondContact O-CB 3.18Å |
| 290 | Q | 96.2 | Very high | 97.5 | Very high | 89 Ų | 89 | 32.9 Ų | 32.9 | 42% | 0.416 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -89.9 | -50.2 | -176.3 | -68.4 | -175.3 | 25.2 | 0 | 0 | 114.8 | E285 S365 | E285-Q290 WeakPolarHBondContact O-CB 3.43Å; E285-Q290 VanDerWaalsContact O-CG 3.31Å; E285-Q290 WeakPolarHBondContact O-CG 3.44Å; E285-Q290 PolarHBondContact O-N 3.5Å; E285-Q290 VanDerWaalsContact O-N 3.07Å; Q290-S365 PolarHBondContact OE1-OG 3.31Å |
| 291 | D | 95.9 | Very high | 97.4 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 6% | 0.059 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -89.7 | -48.7 | -174.3 | -178.3 | -94.5 | 0 | 0 | 0 | 114 | M286 R293 V294 L368 R372 | M286-D291 WeakPolarHBondContact O-CB 3.49Å; M286-D291 PolarHBondContact O-N 2.82Å; D291-R293 PolarHBondContact O-N 2.81Å; D291-R293 WeakPolarHBondContact OD1-CA 3.44Å; D291-R293 WeakPolarHBondContact OD1-CB 3.45Å; D291-R293 PolarHBondContact OD1-N 3.31Å; D291-R293 IonicContact OD1-NE 3.85Å; D291-R293 IonicContact OD2-CZ 2.76Å; D291-R293 IonicContact OD2-NE 2.96Å; D291-R293 IonicContact OD2-NH2 3.83Å; D291-R293 PolarHBondContact OD2-NH2 3.42Å; D291-V294 HydrophobicContact CB-CG2 4.45Å; D291-V294 WeakPolarHBondContact OD1-CG2 2.98Å; D291-L368 HydrophobicContact CB-CD1 3.8Å; D291-R372 IonicContact OD1-CZ 3.41Å; D291-R372 IonicContact OD1-NH1 3.63Å; D291-R372 IonicContact OD1-NH2 3.28Å; D291-R372 PolarHBondContact OD1-NH2 2.9Å; D291-R372 IonicContact OD2-CZ 3.1Å; D291-R372 IonicContact OD2-NH1 2.88Å; D291-R372 PolarHBondContact OD2-NH1 3.45Å; D291-R372 IonicContact OD2-NH2 3.67Å; D291-R372 PolarHBondContact OD2-NH2 3.25Å |
| 292 | G | 95.4 | Very high | 97.3 | Very high | 49 Ų | 49 | 27.9 Ų | 27.9 | 51% | 0.505 | 15% | 0.146 | S | C | . | . | trans | 73.1 | -1.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C287 | C287-G292 WeakPolarHBondContact O-CA 3.39Å; C287-G292 PolarHBondContact O-N 3.23Å | ||
| 293 | R | 96.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | trans | -124.4 | 53.7 | -173.7 | -59 | 165.5 | -64.1 | 155.2 | 14.8 | 111.1 | H234 M258 A259 I263 D291 R372 | H234-R293 PolarHBondContact CE1-NH2 2.92Å; H234-R293 VanDerWaalsContact CE1-NH2 3.3Å; H234-R293 VanDerWaalsContact ND1-CZ 3.29Å; H234-R293 PolarHBondContact ND1-NH1 3.04Å; H234-R293 PolarHBondContact ND1-NH2 3.02Å; H234-R293 VanDerWaalsContact ND1-NH2 3.16Å; M258-R293 PolarHBondContact O-NH1 2.88Å; A259-R293 WeakPolarHBondContact O-CD 3.3Å; A259-R293 PolarHBondContact O-NH1 3Å; I263-R293 PolarHBondContact N-O 3.24Å; D291-R293 PolarHBondContact O-N 2.81Å; D291-R293 WeakPolarHBondContact OD1-CA 3.44Å; D291-R293 WeakPolarHBondContact OD1-CB 3.45Å; D291-R293 PolarHBondContact OD1-N 3.31Å; D291-R293 IonicContact OD1-NE 3.85Å; D291-R293 IonicContact OD2-CZ 2.76Å; D291-R293 IonicContact OD2-NE 2.96Å; D291-R293 IonicContact OD2-NH2 3.83Å; D291-R293 PolarHBondContact OD2-NH2 3.42Å; R293-R372 PolarHBondContact O-NH2 3.22Å | ||
| 294 | V | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.7 | -176.8 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | I263 V265 F283 C287 D291 L368 | I263-V294 CarbonylContact O-C 3.6Å; I263-V294 VanDerWaalsContact O-CA 3.32Å; I263-V294 WeakPolarHBondContact O-CA 3.45Å; V265-V294 HydrophobicContact CG2-CG1 3.58Å; F283-V294 HydrophobicContact CE2-CG1 3.76Å; F283-V294 HydrophobicContact CZ-CB 4.43Å; F283-V294 HydrophobicContact CZ-CG1 3.86Å; C287-V294 HydrophobicContact CB-CB 3.9Å; C287-V294 HydrophobicContact CB-CG1 4.06Å; C287-V294 HydrophobicContact CB-CG2 3.81Å; D291-V294 HydrophobicContact CB-CG2 4.45Å; D291-V294 WeakPolarHBondContact OD1-CG2 2.98Å; V294-L368 HydrophobicContact CG2-CD1 3.88Å |
| 295 | H | 98.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.8 | 166.1 | -173 | 100.3 | 0 | 0 | 0 | 109 | L262 I263 N264 V265 N324 T326 W347 | L262-H295 HydrophobicContact CD2-CB 4.29Å; I263-H295 PolarHBondContact O-N 2.72Å; N264-H295 CarbonylContact C-O 3.48Å; N264-H295 WeakPolarHBondContact CA-O 3.48Å; N264-H295 HydrophobicContact CB-CB 4.46Å; N264-H295 PolarHBondContact OD1-CD2 2.74Å; N264-H295 PolarHBondContact OD1-O 3.38Å; V265-H295 PolarHBondContact N-O 2.98Å; H295-N324 CarbonylContact C-O 3.58Å; H295-N324 VanDerWaalsContact CA-O 3.28Å; H295-N324 WeakPolarHBondContact CA-O 3.24Å; H295-N324 HydrophobicContact CB-CB 4.46Å; H295-N324 PolarHBondContact ND1-O 2.67Å; H295-T326 PolarHBondContact CE1-OG1 3.14Å; H295-T326 PolarHBondContact NE2-OG1 3.42Å; H295-W347 HydrophobicContact CB-CH2 4.47Å; H295-W347 HydrophobicContact CB-CZ3 4.16Å; H295-W347 AromaticContact CD2-CZ3 3.8Å; H295-W347 AromaticContact CG-CZ3 3.72Å; H295-W347 AromaticContact ND1-CZ3 3.93Å |
| 296 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.7 | 176.8 | 178.5 | 62.5 | 0 | 0 | 0 | 110.9 | V265 V267 F279 M280 F283 V298 L313 N324 F325 T326 | V265-L296 HydrophobicContact CB-CD1 4.37Å; V267-L296 HydrophobicContact CG2-CD1 4Å; F279-L296 HydrophobicContact CE1-CD1 3.97Å; F279-L296 HydrophobicContact CZ-CD1 4.29Å; M280-L296 HydrophobicContact CE-CD2 4.1Å; M280-L296 HydrophobicContact SD-CD2 3.54Å; M280-L296 VanDerWaalsContact SD-CD2 3.54Å; F283-L296 HydrophobicContact CD2-CD1 4.31Å; F283-L296 HydrophobicContact CE1-CB 4.25Å; F283-L296 HydrophobicContact CE1-CD2 4.41Å; F283-L296 HydrophobicContact CE2-CB 3.9Å; F283-L296 HydrophobicContact CE2-CD1 4.04Å; F283-L296 HydrophobicContact CE2-CD2 4.45Å; F283-L296 HydrophobicContact CE2-CG 4.34Å; F283-L296 HydrophobicContact CZ-CB 3.63Å; F283-L296 HydrophobicContact CZ-CD2 4.4Å; F283-L296 HydrophobicContact CZ-CG 4.41Å; L296-V298 HydrophobicContact CD1-CG2 4.25Å; L296-V298 HydrophobicContact CD2-CG2 3.98Å; L296-V298 HydrophobicContact CG-CG2 3.89Å; L296-L313 HydrophobicContact CD2-CD2 3.9Å; L296-N324 PolarHBondContact N-O 3.46Å; L296-F325 HydrophobicContact CB-CB 4.09Å; L296-F325 CarbonylContact O-C 3.39Å; L296-F325 WeakPolarHBondContact O-CA 3.5Å; L296-F325 WeakPolarHBondContact O-CB 3.46Å; L296-T326 PolarHBondContact O-N 3.24Å |
| 297 | T | 98.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 110.5 | 169.8 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | N264 V265 I266 V267 V299 T326 I328 | N264-T297 PolarHBondContact ND2-OG1 3.03Å; N264-T297 VanDerWaalsContact ND2-OG1 3.12Å; N264-T297 WeakPolarHBondContact OD1-CB 3.44Å; N264-T297 PolarHBondContact OD1-OG1 2.88Å; V265-T297 PolarHBondContact O-N 2.84Å; I266-T297 WeakPolarHBondContact CA-O 3.36Å; V267-T297 PolarHBondContact N-O 2.84Å; T297-V299 HydrophobicContact CG2-CG2 4.11Å; T297-T326 CarbonylContact C-O 3.54Å; T297-T326 WeakPolarHBondContact CA-O 3.3Å; T297-I328 HydrophobicContact CG2-CD1 3.89Å |
| 298 | V | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.8 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 109 | L269 F276 L296 V309 L313 T326 F327 I328 | L269-V298 HydrophobicContact CB-CG1 4.48Å; L269-V298 HydrophobicContact CD2-CG1 4.45Å; F276-V298 HydrophobicContact CE2-CG1 4.43Å; F276-V298 HydrophobicContact CE2-CG2 3.9Å; F276-V298 HydrophobicContact CZ-CG2 3.96Å; L296-V298 HydrophobicContact CD1-CG2 4.25Å; L296-V298 HydrophobicContact CD2-CG2 3.98Å; L296-V298 HydrophobicContact CG-CG2 3.89Å; V298-V309 HydrophobicContact CG1-CG1 4.43Å; V298-L313 HydrophobicContact CG2-CD1 4.32Å; V298-L313 HydrophobicContact CG2-CD2 4.3Å; V298-T326 PolarHBondContact N-O 3.07Å; V298-F327 HydrophobicContact CB-CD2 4.11Å; V298-F327 HydrophobicContact CG1-CD2 4.11Å; V298-F327 HydrophobicContact CG1-CE2 4.18Å; V298-F327 WeakPolarHBondContact O-CA 3.48Å; V298-I328 PolarHBondContact O-N 3.37Å |
| 299 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 100.8 | 176 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | I266 V267 P268 L269 T297 F301 I328 L330 G339 | I266-V299 HydrophobicContact CG2-CG2 4.26Å; V267-V299 PolarHBondContact O-N 2.86Å; P268-V299 CarbonylContact C-O 3.57Å; P268-V299 WeakPolarHBondContact CA-O 3.36Å; L269-V299 PolarHBondContact N-O 2.78Å; T297-V299 HydrophobicContact CG2-CG2 4.11Å; V299-F301 HydrophobicContact CG1-CE2 4.2Å; V299-I328 CarbonylContact C-O 3.51Å; V299-I328 WeakPolarHBondContact CA-O 3.41Å; V299-I328 HydrophobicContact CG1-CB 4.43Å; V299-I328 HydrophobicContact CG1-CG2 4.49Å; V299-I328 HydrophobicContact CG2-CB 4.4Å; V299-I328 HydrophobicContact CG2-CD1 4.18Å; V299-L330 HydrophobicContact CG1-CD1 3.52Å; V299-L330 HydrophobicContact CG1-CG 3.95Å; V299-G339 WeakPolarHBondContact CG2-O 3.17Å |
| 300 | Y | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.3 | -172.6 | -165.8 | -98.8 | 0 | 0 | 0 | 112.3 | L269 E304 I306 V309 F327 I328 Q329 L330 | L269-Y300 HydrophobicContact CB-CD2 4.06Å; L269-Y300 HydrophobicContact CD2-CD2 3.91Å; L269-Y300 HydrophobicContact CD2-CE2 4.01Å; L269-Y300 HydrophobicContact CG-CD2 3.98Å; L269-Y300 HydrophobicContact CG-CE2 4Å; L269-Y300 CarbonylContact O-C 3.6Å; L269-Y300 WeakPolarHBondContact O-CA 3.44Å; Y300-E304 WeakPolarHBondContact CE1-O 3.3Å; Y300-E304 VanDerWaalsContact CZ-O 3.26Å; Y300-E304 PolarHBondContact OH-O 3.4Å; Y300-I306 HydrophobicContact CD1-CB 4.21Å; Y300-I306 HydrophobicContact CD1-CD1 4.19Å; Y300-I306 HydrophobicContact CD1-CG1 4.1Å; Y300-I306 HydrophobicContact CE1-CB 3.9Å; Y300-I306 HydrophobicContact CE1-CG1 4.32Å; Y300-V309 HydrophobicContact CD2-CG1 4.41Å; Y300-V309 HydrophobicContact CD2-CG2 4.15Å; Y300-V309 HydrophobicContact CE2-CG2 3.74Å; Y300-F327 VanDerWaalsContact CB-CZ 3.42Å; Y300-F327 HydrophobicContact CD1-CZ 4.34Å; Y300-F327 HydrophobicContact CG-CE2 4.2Å; Y300-F327 AromaticContact CG-CZ 3.9Å; Y300-F327 HydrophobicContact CG-CZ 3.9Å; Y300-I328 PolarHBondContact N-O 2.95Å; Y300-Q329 CarbonylContact O-C 3.55Å; Y300-Q329 WeakPolarHBondContact O-CA 3.46Å; Y300-L330 PolarHBondContact O-N 3Å |
| 301 | F | 96.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.5 | 176.6 | -69 | -103.7 | 0 | 0 | 0 | 111.5 | P268 L269 A270 V299 L330 E333 F334 S335 K338 | P268-F301 HydrophobicContact CB-CE2 4.42Å; L269-F301 PolarHBondContact O-N 2.98Å; A270-F301 HydrophobicContact CB-CB 4.12Å; V299-F301 HydrophobicContact CG1-CE2 4.2Å; F301-L330 HydrophobicContact CD1-CB 4.08Å; F301-L330 HydrophobicContact CD1-CD1 4.49Å; F301-L330 HydrophobicContact CE1-CB 4.19Å; F301-L330 HydrophobicContact CE1-CD1 3.84Å; F301-L330 HydrophobicContact CE2-CD1 4.24Å; F301-L330 HydrophobicContact CG-CB 4.48Å; F301-L330 HydrophobicContact CZ-CD1 3.69Å; F301-E333 WeakPolarHBondContact CD1-O 3.31Å; F301-F334 HydrophobicContact CB-CB 4.45Å; F301-F334 AromaticContact CD2-CD2 3.71Å; F301-F334 HydrophobicContact CD2-CD2 3.71Å; F301-F334 HydrophobicContact CD2-CE2 4.31Å; F301-F334 HydrophobicContact CE2-CD2 4.13Å; F301-F334 HydrophobicContact CE2-CE2 4.44Å; F301-F334 HydrophobicContact CG-CB 4.5Å; F301-F334 HydrophobicContact CG-CD2 4.21Å; F301-S335 WeakPolarHBondContact CZ-O 3.47Å; F301-K338 HydrophobicContact CE1-CD 4.45Å |
| 302 | G | 94.2 | Very high | 96.7 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 91.6 | -164.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q329 L330 | G302-Q329 PolarHBondContact O-NE2 2.88Å; G302-L330 PolarHBondContact N-O 2.91Å |
| 303 | K | 92.8 | Very high | 96.8 | Very high | 161 Ų | 161 | 38.6 Ų | 38.6 | 70% | 0.7 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -122.7 | -21.9 | -175.9 | -63.2 | -177.6 | -178.9 | 178.9 | 0 | 113.8 | I306 | K303-I306 VanDerWaalsContact O-CG2 3.23Å; K303-I306 WeakPolarHBondContact O-CG2 3.35Å |
| 304 | E | 93.1 | Very high | 96.8 | Very high | 110 Ų | 110 | 41.8 Ų | 41.8 | 51% | 0.514 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 146.3 | 175.7 | -66.6 | 164.3 | -124.9 | 0 | 0 | 109.6 | K271 Y300 I306 | K271-E304 WeakPolarHBondContact CD-OE2 3.46Å; K271-E304 VanDerWaalsContact CE-CD 3.43Å; K271-E304 VanDerWaalsContact CE-OE1 3.25Å; K271-E304 WeakPolarHBondContact CE-OE1 3.29Å; K271-E304 WeakPolarHBondContact CE-OE2 3.32Å; K271-E304 IonicContact NZ-OE1 3.1Å; K271-E304 PolarHBondContact NZ-OE1 3.44Å; K271-E304 IonicContact NZ-OE2 2.73Å; K271-E304 PolarHBondContact NZ-OE2 3.2Å; Y300-E304 WeakPolarHBondContact CE1-O 3.3Å; Y300-E304 VanDerWaalsContact CZ-O 3.26Å; Y300-E304 PolarHBondContact OH-O 3.4Å; E304-I306 PolarHBondContact O-N 3.01Å |
| 305 | E | 93.9 | Very high | 96.8 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 36% | 0.36 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 2.4 | 173 | -59.3 | -175.5 | 161 | 0 | 0 | 117.4 | K271 R272 V273 N307 E308 V309 | K271-E305 WeakPolarHBondContact CA-OE2 3.37Å; R272-E305 PolarHBondContact N-OE2 3.11Å; V273-E305 HydrophobicContact CG2-CB 3.55Å; V273-E305 HydrophobicContact CG2-CG 4.14Å; V273-E305 WeakPolarHBondContact CG2-OE2 3.48Å; V273-E305 PolarHBondContact N-OE2 3.19Å; E305-N307 VanDerWaalsContact C-N 3.3Å; E305-N307 PolarHBondContact O-N 3.01Å; E305-E308 WeakPolarHBondContact O-CB 3.45Å; E305-E308 PolarHBondContact O-N 3.24Å; E305-E308 VanDerWaalsContact O-N 3.1Å; E305-V309 PolarHBondContact O-N 3.45Å |
| 306 | I | 95 | Very high | 96.7 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | -173.2 | -173.1 | 166.9 | 0 | 0 | 0 | 113.3 | Y300 K303 E304 E308 V309 K310 F327 Q329 | Y300-I306 HydrophobicContact CD1-CB 4.21Å; Y300-I306 HydrophobicContact CD1-CD1 4.19Å; Y300-I306 HydrophobicContact CD1-CG1 4.1Å; Y300-I306 HydrophobicContact CE1-CB 3.9Å; Y300-I306 HydrophobicContact CE1-CG1 4.32Å; K303-I306 VanDerWaalsContact O-CG2 3.23Å; K303-I306 WeakPolarHBondContact O-CG2 3.35Å; E304-I306 PolarHBondContact O-N 3.01Å; I306-E308 VanDerWaalsContact C-N 3.27Å; I306-E308 PolarHBondContact O-N 2.81Å; I306-V309 PolarHBondContact O-N 2.9Å; I306-K310 HydrophobicContact CG1-CD 4.33Å; I306-K310 HydrophobicContact CG1-CG 4.47Å; I306-K310 WeakPolarHBondContact O-CG 3.33Å; I306-K310 PolarHBondContact O-N 2.82Å; I306-F327 HydrophobicContact CD1-CE1 3.96Å; I306-F327 HydrophobicContact CD1-CZ 3.94Å; I306-F327 HydrophobicContact CG1-CE1 4.2Å; I306-F327 HydrophobicContact CG1-CZ 3.79Å; I306-Q329 HydrophobicContact CD1-CB 4.4Å; I306-Q329 HydrophobicContact CD1-CG 3.87Å; I306-Q329 VanDerWaalsContact CD1-NE2 3.32Å |
| 307 | N | 96.4 | Very high | 96.5 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.3 | -32.7 | -178.9 | -68.5 | -23.9 | 0 | 0 | 0 | 111.1 | E305 G311 | E305-N307 VanDerWaalsContact C-N 3.3Å; E305-N307 PolarHBondContact O-N 3.01Å; N307-G311 PolarHBondContact O-N 2.67Å |
| 308 | E | 97.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.1 | -43.8 | 175.9 | -64.5 | 178 | -123.8 | 0 | 0 | 111.2 | V273 E305 I306 K310 G311 I312 | V273-E308 HydrophobicContact CG1-CB 4.06Å; V273-E308 HydrophobicContact CG2-CB 4.05Å; E305-E308 WeakPolarHBondContact O-CB 3.45Å; E305-E308 PolarHBondContact O-N 3.24Å; E305-E308 VanDerWaalsContact O-N 3.1Å; I306-E308 VanDerWaalsContact C-N 3.27Å; I306-E308 PolarHBondContact O-N 2.81Å; E308-K310 VanDerWaalsContact C-N 3.35Å; E308-K310 PolarHBondContact O-N 3.09Å; E308-G311 PolarHBondContact O-N 3.33Å; E308-I312 WeakPolarHBondContact O-CG1 3.26Å; E308-I312 PolarHBondContact O-N 3.48Å |
| 309 | V | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -47 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | L269 V273 F276 V298 Y300 E305 I306 I312 L313 F327 | L269-V309 HydrophobicContact CD2-CG1 4.06Å; L269-V309 HydrophobicContact CD2-CG2 3.94Å; V273-V309 HydrophobicContact CG2-CG2 3.65Å; F276-V309 HydrophobicContact CD1-CB 4.49Å; F276-V309 HydrophobicContact CD1-CG1 3.94Å; F276-V309 HydrophobicContact CD1-CG2 4.43Å; F276-V309 HydrophobicContact CE1-CB 4.49Å; F276-V309 HydrophobicContact CE1-CG1 3.65Å; F276-V309 HydrophobicContact CZ-CG1 4.16Å; V298-V309 HydrophobicContact CG1-CG1 4.43Å; Y300-V309 HydrophobicContact CD2-CG1 4.41Å; Y300-V309 HydrophobicContact CD2-CG2 4.15Å; Y300-V309 HydrophobicContact CE2-CG2 3.74Å; E305-V309 PolarHBondContact O-N 3.45Å; I306-V309 PolarHBondContact O-N 2.9Å; V309-I312 PolarHBondContact O-N 2.96Å; V309-L313 PolarHBondContact O-N 2.85Å; V309-L313 VanDerWaalsContact O-N 3.13Å; V309-F327 HydrophobicContact CG1-CD2 4.5Å; V309-F327 HydrophobicContact CG1-CE2 3.82Å |
| 310 | K | 97.2 | Very high | 96 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 32% | 0.317 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175 | -74.4 | -178.8 | 177.9 | 179.9 | 0 | 111.6 | I306 E308 I312 L313 E314 F327 | I306-K310 HydrophobicContact CG1-CD 4.33Å; I306-K310 HydrophobicContact CG1-CG 4.47Å; I306-K310 WeakPolarHBondContact O-CG 3.33Å; I306-K310 PolarHBondContact O-N 2.82Å; E308-K310 VanDerWaalsContact C-N 3.35Å; E308-K310 PolarHBondContact O-N 3.09Å; K310-I312 VanDerWaalsContact C-N 3.33Å; K310-I312 PolarHBondContact O-N 2.92Å; K310-L313 WeakPolarHBondContact O-CB 3.43Å; K310-L313 PolarHBondContact O-N 2.96Å; K310-L313 VanDerWaalsContact O-N 3.16Å; K310-E314 WeakPolarHBondContact O-CB 3.25Å; K310-E314 WeakPolarHBondContact O-CG 3.21Å; K310-E314 PolarHBondContact O-N 2.79Å; K310-F327 VanDerWaalsContact CE-CE1 3.44Å; K310-F327 HydrophobicContact CG-CE1 4.32Å; K310-F327 HydrophobicContact CG-CE2 4.44Å; K310-F327 HydrophobicContact CG-CZ 4.28Å |
| 311 | G | 97.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | N307 E308 E314 N315 | N307-G311 PolarHBondContact O-N 2.67Å; E308-G311 PolarHBondContact O-N 3.33Å; G311-E314 PolarHBondContact O-N 3.35Å; G311-N315 VanDerWaalsContact O-CB 3.23Å; G311-N315 WeakPolarHBondContact O-CB 3.23Å; G311-N315 PolarHBondContact O-N 2.78Å; G311-N315 PolarHBondContact O-ND2 2.87Å |
| 312 | I | 98 | Very high | 95.8 | Very high | 22 Ų | 22 | 66 Ų | 66 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.2 | -68.2 | 164.5 | 0 | 0 | 0 | 111.1 | V273 F276 R277 M280 E308 V309 K310 T316 | V273-I312 HydrophobicContact CG1-CD1 3.86Å; F276-I312 HydrophobicContact CD1-CB 4.37Å; F276-I312 HydrophobicContact CD1-CD1 3.97Å; F276-I312 HydrophobicContact CD1-CG2 4.16Å; F276-I312 HydrophobicContact CE1-CB 4.09Å; F276-I312 HydrophobicContact CE1-CG2 3.85Å; R277-I312 HydrophobicContact CB-CD1 4.15Å; R277-I312 HydrophobicContact CG-CD1 4.49Å; M280-I312 HydrophobicContact CB-CG2 3.88Å; M280-I312 HydrophobicContact CG-CG2 3.7Å; E308-I312 WeakPolarHBondContact O-CG1 3.26Å; E308-I312 PolarHBondContact O-N 3.48Å; V309-I312 PolarHBondContact O-N 2.96Å; K310-I312 VanDerWaalsContact C-N 3.33Å; K310-I312 PolarHBondContact O-N 2.92Å; I312-T316 WeakPolarHBondContact O-CB 3.29Å; I312-T316 PolarHBondContact O-N 2.78Å; I312-T316 PolarHBondContact O-OG1 3.21Å |
| 313 | L | 97.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 74.2 Ų | 74.2 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 177.1 | -72.3 | 170.6 | 0 | 0 | 0 | 111.7 | F276 M280 L296 V298 V309 K310 T316 S317 F325 F327 | F276-L313 HydrophobicContact CE1-CG 4.25Å; F276-L313 HydrophobicContact CZ-CD2 3.93Å; F276-L313 HydrophobicContact CZ-CG 4.07Å; M280-L313 HydrophobicContact CE-CD2 4.16Å; M280-L313 HydrophobicContact SD-CD2 4.26Å; L296-L313 HydrophobicContact CD2-CD2 3.9Å; V298-L313 HydrophobicContact CG2-CD1 4.32Å; V298-L313 HydrophobicContact CG2-CD2 4.3Å; V309-L313 PolarHBondContact O-N 2.85Å; V309-L313 VanDerWaalsContact O-N 3.13Å; K310-L313 WeakPolarHBondContact O-CB 3.43Å; K310-L313 PolarHBondContact O-N 2.96Å; K310-L313 VanDerWaalsContact O-N 3.16Å; L313-T316 PolarHBondContact O-N 2.83Å; L313-S317 WeakPolarHBondContact O-CB 3.21Å; L313-S317 PolarHBondContact O-N 3.36Å; L313-F325 HydrophobicContact CB-CE2 4.17Å; L313-F325 HydrophobicContact CD1-CD2 4.33Å; L313-F325 HydrophobicContact CD1-CE2 4.4Å; L313-F325 HydrophobicContact CD2-CD2 4.31Å; L313-F327 HydrophobicContact CD1-CB 4.33Å; L313-F327 HydrophobicContact CD1-CD2 3.68Å; L313-F327 HydrophobicContact CD1-CG 4.39Å |
| 314 | E | 96.9 | Very high | 95.9 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.5 | -73.5 | 175.9 | -164.3 | 0 | 0 | 112.1 | K310 G311 T316 S317 K318 | K310-E314 WeakPolarHBondContact O-CB 3.25Å; K310-E314 WeakPolarHBondContact O-CG 3.21Å; K310-E314 PolarHBondContact O-N 2.79Å; G311-E314 PolarHBondContact O-N 3.35Å; E314-T316 VanDerWaalsContact C-N 3.34Å; E314-S317 WeakPolarHBondContact O-CB 3.25Å; E314-S317 PolarHBondContact O-N 2.89Å; E314-K318 WeakPolarHBondContact O-CG 3.44Å; E314-K318 PolarHBondContact O-N 2.84Å |
| 315 | N | 96.8 | Very high | 96.1 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 175.8 | -73.7 | -16.7 | 0 | 0 | 0 | 111.2 | G311 K318 A319 | G311-N315 VanDerWaalsContact O-CB 3.23Å; G311-N315 WeakPolarHBondContact O-CB 3.23Å; G311-N315 PolarHBondContact O-N 2.78Å; G311-N315 PolarHBondContact O-ND2 2.87Å; N315-K318 PolarHBondContact O-N 3.01Å; N315-A319 WeakPolarHBondContact O-CB 3.37Å; N315-A319 PolarHBondContact O-N 3.18Å |
| 316 | T | 96.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.049 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.3 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | M280 R284 I288 I312 L313 E314 K318 A319 A320 | M280-T316 HydrophobicContact CE-CG2 3.79Å; R284-T316 HydrophobicContact CG-CG2 3.58Å; I288-T316 HydrophobicContact CD1-CG2 3.79Å; I312-T316 WeakPolarHBondContact O-CB 3.29Å; I312-T316 PolarHBondContact O-N 2.78Å; I312-T316 PolarHBondContact O-OG1 3.21Å; L313-T316 PolarHBondContact O-N 2.83Å; E314-T316 VanDerWaalsContact C-N 3.34Å; T316-K318 PolarHBondContact O-N 3.34Å; T316-A319 PolarHBondContact O-N 3.23Å; T316-A320 WeakPolarHBondContact O-CB 3.34Å; T316-A320 PolarHBondContact O-N 3.13Å |
| 317 | S | 95.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 67.1 Ų | 67.1 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 178 | -173 | 0 | 0 | 0 | 0 | 111.9 | L313 E314 N321 F322 | L313-S317 WeakPolarHBondContact O-CB 3.21Å; L313-S317 PolarHBondContact O-N 3.36Å; E314-S317 WeakPolarHBondContact O-CB 3.25Å; E314-S317 PolarHBondContact O-N 2.89Å; S317-N321 CarbonylContact O-C 3.54Å; S317-N321 WeakPolarHBondContact O-CA 3.29Å; S317-N321 PolarHBondContact O-N 2.85Å; S317-F322 VanDerWaalsContact CA-O 3.31Å; S317-F322 WeakPolarHBondContact CA-O 3.26Å; S317-F322 VanDerWaalsContact CB-O 3.26Å; S317-F322 WeakPolarHBondContact CB-O 3.37Å; S317-F322 PolarHBondContact O-N 3.34Å; S317-F322 VanDerWaalsContact O-N 3.11Å; S317-F322 PolarHBondContact OG-O 3.05Å |
| 318 | K | 95.9 | Very high | 96.6 | Very high | 160 Ų | 160 | 61.6 Ų | 61.6 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.2 | -46.8 | 177.7 | -71 | 171.8 | -176.2 | 168.9 | 0 | 112.3 | E314 N315 T316 | E314-K318 WeakPolarHBondContact O-CG 3.44Å; E314-K318 PolarHBondContact O-N 2.84Å; N315-K318 PolarHBondContact O-N 3.01Å; T316-K318 PolarHBondContact O-N 3.34Å |
| 319 | A | 95.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.4 | -35.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N315 T316 | N315-A319 WeakPolarHBondContact O-CB 3.37Å; N315-A319 PolarHBondContact O-N 3.18Å; T316-A319 PolarHBondContact O-N 3.23Å |
| 320 | A | 94.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 61.9 Ų | 61.9 | 26% | 0.256 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -110.5 | 7.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I288 T316 F322 | I288-A320 HydrophobicContact CD1-CB 4.34Å; I288-A320 HydrophobicContact CG2-CB 4.06Å; T316-A320 WeakPolarHBondContact O-CB 3.34Å; T316-A320 PolarHBondContact O-N 3.13Å; A320-F322 HydrophobicContact CB-CB 4.38Å; A320-F322 PolarHBondContact O-N 2.96Å; A320-F322 VanDerWaalsContact O-N 3.15Å |
| 321 | N | 94.1 | Very high | 96.3 | Very high | 120 Ų | 120 | 64.1 Ų | 64.1 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 37.5 | -171.5 | -169.5 | 32.3 | 0 | 0 | 0 | 113.2 | S317 | S317-N321 CarbonylContact O-C 3.54Å; S317-N321 WeakPolarHBondContact O-CA 3.29Å; S317-N321 PolarHBondContact O-N 2.85Å |
| 322 | F | 95.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.088 | 35% | 0.346 | C | S | . | . | trans | -94.4 | 119 | -174.4 | -178.6 | -107.2 | 0 | 0 | 0 | 110.9 | F283 I288 S317 A320 N324 F325 | F283-F322 AromaticContact CE1-CE1 3.75Å; F283-F322 HydrophobicContact CE1-CE1 3.75Å; F283-F322 HydrophobicContact CE1-CE2 4.44Å; F283-F322 AromaticContact CE1-CZ 3.71Å; F283-F322 HydrophobicContact CE1-CZ 3.71Å; F283-F322 HydrophobicContact CZ-CE1 4.23Å; F283-F322 AromaticContact CZ-CZ 3.89Å; F283-F322 HydrophobicContact CZ-CZ 3.89Å; I288-F322 HydrophobicContact CD1-CB 3.8Å; I288-F322 HydrophobicContact CD1-CD1 3.89Å; I288-F322 HydrophobicContact CD1-CD2 3.9Å; I288-F322 HydrophobicContact CD1-CE1 4.41Å; I288-F322 HydrophobicContact CD1-CE2 4.43Å; I288-F322 HydrophobicContact CD1-CG 3.59Å; I288-F322 HydrophobicContact CG1-CD2 3.81Å; I288-F322 HydrophobicContact CG1-CE2 4.06Å; I288-F322 HydrophobicContact CG1-CG 4.06Å; I288-F322 HydrophobicContact CG2-CB 4.43Å; I288-F322 HydrophobicContact CG2-CD2 4.19Å; S317-F322 VanDerWaalsContact CA-O 3.31Å; S317-F322 WeakPolarHBondContact CA-O 3.26Å; S317-F322 VanDerWaalsContact CB-O 3.26Å; S317-F322 WeakPolarHBondContact CB-O 3.37Å; S317-F322 PolarHBondContact O-N 3.34Å; S317-F322 VanDerWaalsContact O-N 3.11Å; S317-F322 PolarHBondContact OG-O 3.05Å; A320-F322 HydrophobicContact CB-CB 4.38Å; A320-F322 PolarHBondContact O-N 2.96Å; A320-F322 VanDerWaalsContact O-N 3.15Å; F322-N324 WeakPolarHBondContact CE1-O 3.4Å; F322-N324 HydrophobicContact CE2-CB 3.75Å; F322-N324 HydrophobicContact CZ-CB 3.77Å; F322-N324 WeakPolarHBondContact CZ-O 3.24Å; F322-F325 HydrophobicContact CD1-CD1 4.27Å; F322-F325 HydrophobicContact CE1-CB 4.06Å; F322-F325 HydrophobicContact CE1-CD1 4.44Å | ||
| 323 | R | 94.6 | Very high | 95.5 | Very high | 195 Ų | 195 | 73.2 Ų | 73.2 | 74% | 0.736 | 38% | 0.381 | S | S | * | . | trans | -115.2 | -4.8 | -177.8 | -59 | -173.8 | -175.2 | -167.8 | -0.4 | 114.1 | F325 | R323-F325 PolarHBondContact O-N 3Š| ||
| 324 | N | 95.8 | Very high | 95.2 | Very high | 77 Ų | 77 | 77.7 Ų | 77.7 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | trans | -86.3 | 62 | -176.3 | -61.5 | -14.5 | 0 | 0 | 0 | 110.8 | H295 L296 F322 | H295-N324 CarbonylContact C-O 3.58Å; H295-N324 VanDerWaalsContact CA-O 3.28Å; H295-N324 WeakPolarHBondContact CA-O 3.24Å; H295-N324 HydrophobicContact CB-CB 4.46Å; H295-N324 PolarHBondContact ND1-O 2.67Å; L296-N324 PolarHBondContact N-O 3.46Å; F322-N324 WeakPolarHBondContact CE1-O 3.4Å; F322-N324 HydrophobicContact CE2-CB 3.75Å; F322-N324 HydrophobicContact CZ-CB 3.77Å; F322-N324 WeakPolarHBondContact CZ-O 3.24Å | ||
| 325 | F | 97.4 | Very high | 94.9 | Very high | 60 Ų | 60 | 75.1 Ų | 75.1 | 26% | 0.263 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160.3 | 172.6 | 73.1 | -85.8 | 0 | 0 | 0 | 112.7 | L296 L313 F322 R323 | L296-F325 HydrophobicContact CB-CB 4.09Å; L296-F325 CarbonylContact O-C 3.39Å; L296-F325 WeakPolarHBondContact O-CA 3.5Å; L296-F325 WeakPolarHBondContact O-CB 3.46Å; L313-F325 HydrophobicContact CB-CE2 4.17Å; L313-F325 HydrophobicContact CD1-CD2 4.33Å; L313-F325 HydrophobicContact CD1-CE2 4.4Å; L313-F325 HydrophobicContact CD2-CD2 4.31Å; F322-F325 HydrophobicContact CD1-CD1 4.27Å; F322-F325 HydrophobicContact CE1-CB 4.06Å; F322-F325 HydrophobicContact CE1-CD1 4.44Å; R323-F325 PolarHBondContact O-N 3Å |
| 326 | T | 97.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 71.4 Ų | 71.4 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132.7 | 176.9 | -60.9 | 0 | 0 | 0 | 0 | 108.3 | H295 L296 T297 V298 I328 F346 | H295-T326 PolarHBondContact CE1-OG1 3.14Å; H295-T326 PolarHBondContact NE2-OG1 3.42Å; L296-T326 PolarHBondContact O-N 3.24Å; T297-T326 CarbonylContact C-O 3.54Å; T297-T326 WeakPolarHBondContact CA-O 3.3Å; V298-T326 PolarHBondContact N-O 3.07Å; T326-I328 HydrophobicContact CG2-CD1 4.35Å; T326-I328 HydrophobicContact CG2-CG1 3.96Å; T326-F346 HydrophobicContact CG2-CD1 3.71Å; T326-F346 HydrophobicContact CG2-CE1 3.4Å; T326-F346 HydrophobicContact CG2-CZ 4.28Å |
| 327 | F | 98.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 71.3 Ų | 71.3 | 21% | 0.211 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.6 | 175.8 | -178 | -89.8 | 0 | 0 | 0 | 109.1 | V298 Y300 I306 V309 K310 L313 Q329 | V298-F327 HydrophobicContact CB-CD2 4.11Å; V298-F327 HydrophobicContact CG1-CD2 4.11Å; V298-F327 HydrophobicContact CG1-CE2 4.18Å; V298-F327 WeakPolarHBondContact O-CA 3.48Å; Y300-F327 VanDerWaalsContact CB-CZ 3.42Å; Y300-F327 HydrophobicContact CD1-CZ 4.34Å; Y300-F327 HydrophobicContact CG-CE2 4.2Å; Y300-F327 AromaticContact CG-CZ 3.9Å; Y300-F327 HydrophobicContact CG-CZ 3.9Å; I306-F327 HydrophobicContact CD1-CE1 3.96Å; I306-F327 HydrophobicContact CD1-CZ 3.94Å; I306-F327 HydrophobicContact CG1-CE1 4.2Å; I306-F327 HydrophobicContact CG1-CZ 3.79Å; V309-F327 HydrophobicContact CG1-CD2 4.5Å; V309-F327 HydrophobicContact CG1-CE2 3.82Å; K310-F327 VanDerWaalsContact CE-CE1 3.44Å; K310-F327 HydrophobicContact CG-CE1 4.32Å; K310-F327 HydrophobicContact CG-CE2 4.44Å; K310-F327 HydrophobicContact CG-CZ 4.28Å; L313-F327 HydrophobicContact CD1-CB 4.33Å; L313-F327 HydrophobicContact CD1-CD2 3.68Å; L313-F327 HydrophobicContact CD1-CG 4.39Å; F327-Q329 HydrophobicContact CE1-CB 4.1Å |
| 328 | I | 98.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 74.3 Ų | 74.3 | 8% | 0.077 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.1 | -179.3 | -54.8 | 172.2 | 0 | 0 | 0 | 107.5 | T297 V298 V299 Y300 T326 L330 V342 F346 | T297-I328 HydrophobicContact CG2-CD1 3.89Å; V298-I328 PolarHBondContact O-N 3.37Å; V299-I328 CarbonylContact C-O 3.51Å; V299-I328 WeakPolarHBondContact CA-O 3.41Å; V299-I328 HydrophobicContact CG1-CB 4.43Å; V299-I328 HydrophobicContact CG1-CG2 4.49Å; V299-I328 HydrophobicContact CG2-CB 4.4Å; V299-I328 HydrophobicContact CG2-CD1 4.18Å; Y300-I328 PolarHBondContact N-O 2.95Å; T326-I328 HydrophobicContact CG2-CD1 4.35Å; T326-I328 HydrophobicContact CG2-CG1 3.96Å; I328-L330 HydrophobicContact CG2-CD2 4.23Å; I328-L330 HydrophobicContact CG2-CG 4.46Å; I328-V342 HydrophobicContact CD1-CG1 4.49Å; I328-V342 HydrophobicContact CG2-CG1 4.14Å; I328-F346 HydrophobicContact CD1-CB 3.44Å; I328-F346 VanDerWaalsContact CD1-CB 3.44Å; I328-F346 HydrophobicContact CD1-CD1 3.72Å; I328-F346 HydrophobicContact CD1-CD2 3.68Å; I328-F346 HydrophobicContact CD1-CE1 4.39Å; I328-F346 HydrophobicContact CD1-CE2 4.35Å; I328-F346 HydrophobicContact CD1-CG 3.32Å; I328-F346 HydrophobicContact CG1-CD1 4.26Å; I328-F346 HydrophobicContact CG1-CD2 4.15Å; I328-F346 HydrophobicContact CG1-CE1 4.46Å; I328-F346 HydrophobicContact CG1-CE2 4.34Å; I328-F346 HydrophobicContact CG1-CG 4.1Å; I328-F346 HydrophobicContact CG1-CZ 4.49Å |
| 329 | Q | 97.2 | Very high | 94.6 | Very high | 81 Ų | 81 | 66.7 Ų | 66.7 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.5 | 173.8 | -173.4 | 177.7 | 1.5 | 0 | 0 | 110.3 | Y300 G302 I306 F327 | Y300-Q329 CarbonylContact O-C 3.55Å; Y300-Q329 WeakPolarHBondContact O-CA 3.46Å; G302-Q329 PolarHBondContact O-NE2 2.88Å; I306-Q329 HydrophobicContact CD1-CB 4.4Å; I306-Q329 HydrophobicContact CD1-CG 3.87Å; I306-Q329 VanDerWaalsContact CD1-NE2 3.32Å; F327-Q329 HydrophobicContact CE1-CB 4.1Å |
| 330 | L | 96.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.2 | 173.8 | -62.6 | -177.1 | 0 | 0 | 0 | 110.6 | V299 Y300 F301 G302 I328 V342 | V299-L330 HydrophobicContact CG1-CD1 3.52Å; V299-L330 HydrophobicContact CG1-CG 3.95Å; Y300-L330 PolarHBondContact O-N 3Å; F301-L330 HydrophobicContact CD1-CB 4.08Å; F301-L330 HydrophobicContact CD1-CD1 4.49Å; F301-L330 HydrophobicContact CE1-CB 4.19Å; F301-L330 HydrophobicContact CE1-CD1 3.84Å; F301-L330 HydrophobicContact CE2-CD1 4.24Å; F301-L330 HydrophobicContact CG-CB 4.48Å; F301-L330 HydrophobicContact CZ-CD1 3.69Å; G302-L330 PolarHBondContact N-O 2.91Å; I328-L330 HydrophobicContact CG2-CD2 4.23Å; I328-L330 HydrophobicContact CG2-CG 4.46Å; L330-V342 HydrophobicContact CD1-CB 4.29Å; L330-V342 HydrophobicContact CD1-CG1 4.26Å; L330-V342 HydrophobicContact CD1-CG2 4.15Å; L330-V342 HydrophobicContact CD2-CG1 4.27Å |
| 331 | N | 92.2 | Very high | 94.8 | Very high | 120 Ų | 120 | 62.2 Ų | 62.2 | 64% | 0.642 | 31% | 0.31 | S | S | * | . | trans | -86.8 | 140.6 | 170.9 | -66.1 | -36.8 | 0 | 0 | 0 | 109.8 | ||||
| 332 | G | 88.9 | Confident | 95 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 114.6 | -176.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 333 | E | 89.4 | Confident | 95.1 | Very high | 182 Ų | 182 | 57.4 Ų | 57.4 | 85% | 0.85 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -70 | 153.8 | 177.9 | -64.2 | -174.9 | 162 | 0 | 0 | 112 | F301 S335 | F301-E333 WeakPolarHBondContact CD1-O 3.31Å; E333-S335 PolarHBondContact O-N 3.49Å |
| 334 | F | 91.4 | Very high | 95.3 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | trans | -62.7 | 126.2 | 178.2 | 176.7 | -98.4 | 0 | 0 | 0 | 111 | P268 A270 F301 R336 | P268-F334 HydrophobicContact CB-CE2 3.92Å; P268-F334 HydrophobicContact CB-CZ 4.33Å; P268-F334 HydrophobicContact CG-CZ 4.49Å; A270-F334 HydrophobicContact CB-CB 3.77Å; A270-F334 HydrophobicContact CB-CD2 3.69Å; A270-F334 HydrophobicContact CB-CG 4Å; F301-F334 HydrophobicContact CB-CB 4.45Å; F301-F334 AromaticContact CD2-CD2 3.71Å; F301-F334 HydrophobicContact CD2-CD2 3.71Å; F301-F334 HydrophobicContact CD2-CE2 4.31Å; F301-F334 HydrophobicContact CE2-CD2 4.13Å; F301-F334 HydrophobicContact CE2-CE2 4.44Å; F301-F334 HydrophobicContact CG-CB 4.5Å; F301-F334 HydrophobicContact CG-CD2 4.21Å; F334-R336 HydrophobicContact CE1-CB 4.03Å; F334-R336 HydrophobicContact CZ-CB 4.03Å | ||
| 335 | S | 91.7 | Very high | 95.4 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | trans | -134.3 | 117.4 | 167.9 | 166.5 | 0 | 0 | 0 | 0 | 108.5 | F301 E333 K338 G339 | F301-S335 WeakPolarHBondContact CZ-O 3.47Å; E333-S335 PolarHBondContact O-N 3.49Å; S335-K338 PolarHBondContact O-N 3.2Å; S335-K338 WeakPolarHBondContact OG-CB 3.47Å; S335-K338 PolarHBondContact OG-N 3.4Å; S335-G339 PolarHBondContact O-N 3.13Å | ||
| 336 | R | 92.6 | Very high | 95.4 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -55.2 | -176.1 | -174 | 179.3 | 177.9 | -76.4 | -8.4 | 111.6 | P268 F334 K338 G339 L340 D358 G424 D450 | P268-R336 HydrophobicContact CG-CG 4.09Å; F334-R336 HydrophobicContact CE1-CB 4.03Å; F334-R336 HydrophobicContact CZ-CB 4.03Å; R336-K338 VanDerWaalsContact C-N 3.33Å; R336-K338 PolarHBondContact O-N 2.96Å; R336-G339 PolarHBondContact O-N 3.33Å; R336-G339 VanDerWaalsContact O-N 3.1Å; R336-L340 HydrophobicContact CG-CD1 4.14Å; R336-L340 WeakPolarHBondContact O-CG 3.5Å; R336-L340 PolarHBondContact O-N 3.26Å; R336-D358 IonicContact CZ-OD1 3.38Å; R336-D358 IonicContact NE-OD1 2.65Å; R336-D358 PolarHBondContact NE-OD1 3.35Å; R336-D358 IonicContact NE-OD2 3.25Å; R336-D358 IonicContact NH2-OD1 3.64Å; R336-D358 PolarHBondContact NH2-OD1 3.13Å; R336-D358 IonicContact NH2-OD2 3.05Å; R336-G424 VanDerWaalsContact NH2-C 3.29Å; R336-G424 PolarHBondContact NH2-O 3.26Å; R336-D450 IonicContact CZ-OD1 3.72Å; R336-D450 IonicContact CZ-OD2 3.01Å; R336-D450 IonicContact NH1-OD1 2.71Å; R336-D450 PolarHBondContact NH1-OD1 3.18Å; R336-D450 IonicContact NH1-OD2 2.59Å; R336-D450 PolarHBondContact NH1-OD2 2.99Å; R336-D450 VanDerWaalsContact NH1-OD2 3.11Å |
| 337 | G | 93.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.4 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G339 L340 D341 F439 | G337-G339 PolarHBondContact O-N 3.38Å; G337-L340 PolarHBondContact O-N 2.94Å; G337-D341 WeakPolarHBondContact O-CB 3.43Å; G337-D341 PolarHBondContact O-N 3.03Å; G337-F439 WeakPolarHBondContact O-CD2 3.43Å |
| 338 | K | 94.8 | Very high | 95 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175 | -176.5 | 177.3 | 178.9 | -179.9 | 0 | 112.3 | F301 S335 R336 D341 V342 L441 | F301-K338 HydrophobicContact CE1-CD 4.45Å; S335-K338 PolarHBondContact O-N 3.2Å; S335-K338 WeakPolarHBondContact OG-CB 3.47Å; S335-K338 PolarHBondContact OG-N 3.4Å; R336-K338 VanDerWaalsContact C-N 3.33Å; R336-K338 PolarHBondContact O-N 2.96Å; K338-D341 PolarHBondContact O-N 3.47Å; K338-V342 HydrophobicContact CG-CG2 4.43Å; K338-V342 WeakPolarHBondContact O-CB 3.44Å; K338-V342 VanDerWaalsContact O-CG2 3.28Å; K338-V342 WeakPolarHBondContact O-CG2 3.01Å; K338-V342 PolarHBondContact O-N 3.21Å; K338-L441 HydrophobicContact CB-CD2 4.35Å |
| 339 | G | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V299 S335 R336 G337 G343 | V299-G339 WeakPolarHBondContact CG2-O 3.17Å; S335-G339 PolarHBondContact O-N 3.13Å; R336-G339 PolarHBondContact O-N 3.33Å; R336-G339 VanDerWaalsContact O-N 3.1Å; G337-G339 PolarHBondContact O-N 3.38Å; G339-G343 PolarHBondContact O-N 3.34Å |
| 340 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.9 | -66.7 | 172.9 | 0 | 0 | 0 | 112.2 | I266 P268 R336 G337 G343 A344 F356 F439 | I266-L340 HydrophobicContact CB-CD2 4.28Å; I266-L340 HydrophobicContact CG2-CD2 3.95Å; P268-L340 HydrophobicContact CG-CD2 4.02Å; P268-L340 HydrophobicContact CG-CG 4.07Å; R336-L340 HydrophobicContact CG-CD1 4.14Å; R336-L340 WeakPolarHBondContact O-CG 3.5Å; R336-L340 PolarHBondContact O-N 3.26Å; G337-L340 PolarHBondContact O-N 2.94Å; L340-G343 PolarHBondContact O-N 2.91Å; L340-A344 WeakPolarHBondContact O-CB 3.25Å; L340-A344 PolarHBondContact O-N 2.97Å; L340-F356 HydrophobicContact CB-CD1 4.47Å; L340-F356 HydrophobicContact CB-CD2 4.26Å; L340-F356 HydrophobicContact CB-CE1 4.39Å; L340-F356 HydrophobicContact CB-CE2 4.17Å; L340-F356 HydrophobicContact CB-CG 4.41Å; L340-F356 HydrophobicContact CB-CZ 4.24Å; L340-F356 HydrophobicContact CD1-CB 4.12Å; L340-F356 HydrophobicContact CD1-CD2 3.92Å; L340-F356 HydrophobicContact CD1-CG 4.08Å; L340-F356 HydrophobicContact CD2-CB 3.88Å; L340-F356 HydrophobicContact CD2-CD1 3.93Å; L340-F356 HydrophobicContact CD2-CD2 4.41Å; L340-F356 HydrophobicContact CD2-CG 3.83Å; L340-F356 HydrophobicContact CG-CD2 4.44Å; L340-F356 HydrophobicContact CG-CG 4.34Å; L340-F439 HydrophobicContact CB-CD2 4.28Å; L340-F439 HydrophobicContact CB-CE2 3.5Å; L340-F439 HydrophobicContact CB-CZ 4.17Å; L340-F439 HydrophobicContact CD1-CE2 3.98Å; L340-F439 HydrophobicContact CD1-CZ 3.76Å; L340-F439 HydrophobicContact CG-CE2 4.4Å |
| 341 | D | 97.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 178 | -171.3 | 82 | 0 | 0 | 0 | 111.6 | G337 K338 G343 A344 R345 F433 F439 L441 | G337-D341 WeakPolarHBondContact O-CB 3.43Å; G337-D341 PolarHBondContact O-N 3.03Å; K338-D341 PolarHBondContact O-N 3.47Å; D341-G343 PolarHBondContact O-N 3.07Å; D341-A344 PolarHBondContact O-N 3.07Å; D341-R345 VanDerWaalsContact CG-NE 3.26Å; D341-R345 WeakPolarHBondContact O-CB 3Å; D341-R345 WeakPolarHBondContact O-CG 3.49Å; D341-R345 PolarHBondContact O-N 3.22Å; D341-R345 IonicContact OD1-CZ 3.7Å; D341-R345 IonicContact OD1-NE 2.74Å; D341-R345 PolarHBondContact OD1-NE 3.37Å; D341-R345 VanDerWaalsContact OD1-NE 3.1Å; D341-R345 IonicContact OD1-NH2 2.78Å; D341-R345 PolarHBondContact OD1-NH2 2.97Å; D341-R345 VanDerWaalsContact OD2-CD 3.29Å; D341-R345 WeakPolarHBondContact OD2-CD 3.35Å; D341-R345 IonicContact OD2-CZ 2.73Å; D341-R345 IonicContact OD2-NE 3.49Å; D341-R345 PolarHBondContact OD2-NE 3.48Å; D341-R345 IonicContact OD2-NH2 3.91Å; D341-F433 HydrophobicContact CB-CZ 4.42Å; D341-F433 WeakPolarHBondContact OD1-CZ 3.4Å; D341-F439 HydrophobicContact CB-CB 4.32Å; D341-F439 HydrophobicContact CB-CD2 4Å; D341-L441 HydrophobicContact CB-CD2 4.09Å |
| 342 | V | 97.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | I328 L330 K338 A344 R345 F346 | I328-V342 HydrophobicContact CD1-CG1 4.49Å; I328-V342 HydrophobicContact CG2-CG1 4.14Å; L330-V342 HydrophobicContact CD1-CB 4.29Å; L330-V342 HydrophobicContact CD1-CG1 4.26Å; L330-V342 HydrophobicContact CD1-CG2 4.15Å; L330-V342 HydrophobicContact CD2-CG1 4.27Å; K338-V342 HydrophobicContact CG-CG2 4.43Å; K338-V342 WeakPolarHBondContact O-CB 3.44Å; K338-V342 VanDerWaalsContact O-CG2 3.28Å; K338-V342 WeakPolarHBondContact O-CG2 3.01Å; K338-V342 PolarHBondContact O-N 3.21Å; V342-A344 VanDerWaalsContact C-N 3.33Å; V342-A344 PolarHBondContact O-N 3.44Å; V342-R345 PolarHBondContact O-N 2.94Å; V342-F346 VanDerWaalsContact O-CB 3.26Å; V342-F346 WeakPolarHBondContact O-CB 3.34Å; V342-F346 PolarHBondContact O-N 3.35Å |
| 343 | G | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G339 L340 D341 | G339-G343 PolarHBondContact O-N 3.34Å; L340-G343 PolarHBondContact O-N 2.91Å; D341-G343 PolarHBondContact O-N 3.07Å |
| 344 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I266 L340 D341 V342 L354 F356 R430 F433 | I266-A344 HydrophobicContact CD1-CB 4.08Å; L340-A344 WeakPolarHBondContact O-CB 3.25Å; L340-A344 PolarHBondContact O-N 2.97Å; D341-A344 PolarHBondContact O-N 3.07Å; V342-A344 VanDerWaalsContact C-N 3.33Å; V342-A344 PolarHBondContact O-N 3.44Å; A344-L354 HydrophobicContact CB-CD1 3.63Å; A344-F356 HydrophobicContact CB-CE1 4.16Å; A344-F356 HydrophobicContact CB-CZ 4.17Å; A344-R430 WeakPolarHBondContact O-CD 3.27Å; A344-R430 PolarHBondContact O-NE 2.9Å; A344-F433 HydrophobicContact CB-CD1 3.84Å; A344-F433 HydrophobicContact CB-CE1 3.64Å; A344-F433 HydrophobicContact CB-CZ 4.45Å |
| 345 | R | 97.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 40.4 Ų | 40.4 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -75.6 | -26.2 | -178.9 | -69.2 | -179.5 | -163.7 | -90.1 | -4.3 | 113.3 | D341 V342 W347 R430 I434 G437 | D341-R345 VanDerWaalsContact CG-NE 3.26Å; D341-R345 WeakPolarHBondContact O-CB 3Å; D341-R345 WeakPolarHBondContact O-CG 3.49Å; D341-R345 PolarHBondContact O-N 3.22Å; D341-R345 IonicContact OD1-CZ 3.7Å; D341-R345 IonicContact OD1-NE 2.74Å; D341-R345 PolarHBondContact OD1-NE 3.37Å; D341-R345 VanDerWaalsContact OD1-NE 3.1Å; D341-R345 IonicContact OD1-NH2 2.78Å; D341-R345 PolarHBondContact OD1-NH2 2.97Å; D341-R345 VanDerWaalsContact OD2-CD 3.29Å; D341-R345 WeakPolarHBondContact OD2-CD 3.35Å; D341-R345 IonicContact OD2-CZ 2.73Å; D341-R345 IonicContact OD2-NE 3.49Å; D341-R345 PolarHBondContact OD2-NE 3.48Å; D341-R345 IonicContact OD2-NH2 3.91Å; V342-R345 PolarHBondContact O-N 2.94Å; R345-W347 VanDerWaalsContact C-N 3.26Å; R345-W347 PolarHBondContact O-N 3.44Å; R345-R430 PolarHBondContact O-NH2 2.94Å; R345-I434 HydrophobicContact CG-CD1 3.73Å; R345-G437 PolarHBondContact NH2-O 3.13Å |
| 346 | F | 97.7 | Very high | 96.4 | Very high | 100 Ų | 100 | 38.3 Ų | 38.3 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.6 | -32.4 | 177.7 | -169.5 | -90.3 | 0 | 0 | 0 | 112 | T326 I328 V342 K348 | T326-F346 HydrophobicContact CG2-CD1 3.71Å; T326-F346 HydrophobicContact CG2-CE1 3.4Å; T326-F346 HydrophobicContact CG2-CZ 4.28Å; I328-F346 HydrophobicContact CD1-CB 3.44Å; I328-F346 VanDerWaalsContact CD1-CB 3.44Å; I328-F346 HydrophobicContact CD1-CD1 3.72Å; I328-F346 HydrophobicContact CD1-CD2 3.68Å; I328-F346 HydrophobicContact CD1-CE1 4.39Å; I328-F346 HydrophobicContact CD1-CE2 4.35Å; I328-F346 HydrophobicContact CD1-CG 3.32Å; I328-F346 HydrophobicContact CG1-CD1 4.26Å; I328-F346 HydrophobicContact CG1-CD2 4.15Å; I328-F346 HydrophobicContact CG1-CE1 4.46Å; I328-F346 HydrophobicContact CG1-CE2 4.34Å; I328-F346 HydrophobicContact CG1-CG 4.1Å; I328-F346 HydrophobicContact CG1-CZ 4.49Å; V342-F346 VanDerWaalsContact O-CB 3.26Å; V342-F346 WeakPolarHBondContact O-CB 3.34Å; V342-F346 PolarHBondContact O-N 3.35Å; F346-K348 WeakPolarHBondContact O-CD 3.37Å; F346-K348 WeakPolarHBondContact O-CE 3.46Å; F346-K348 WeakPolarHBondContact O-CG 3.38Å; F346-K348 PolarHBondContact O-N 3.44Å |
| 347 | W | 96.6 | Very high | 96.7 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | trans | -55 | 121.8 | 175.7 | -174.4 | -92.8 | 0 | 0 | 0 | 111.9 | L262 N264 H295 R345 S350 V352 R430 | L262-W347 HydrophobicContact CD2-CH2 3.52Å; L262-W347 HydrophobicContact CD2-CZ2 3.97Å; N264-W347 HydrophobicContact CB-CE3 4.39Å; N264-W347 HydrophobicContact CB-CZ3 4.4Å; H295-W347 HydrophobicContact CB-CH2 4.47Å; H295-W347 HydrophobicContact CB-CZ3 4.16Å; H295-W347 AromaticContact CD2-CZ3 3.8Å; H295-W347 AromaticContact CG-CZ3 3.72Å; H295-W347 AromaticContact ND1-CZ3 3.93Å; R345-W347 VanDerWaalsContact C-N 3.26Å; R345-W347 PolarHBondContact O-N 3.44Å; W347-S350 PolarHBondContact NE1-O 3.33Å; W347-V352 HydrophobicContact CD2-CB 4.4Å; W347-V352 HydrophobicContact CD2-CG1 3.77Å; W347-V352 HydrophobicContact CG-CG1 3.76Å; W347-V352 HydrophobicContact CH2-CG2 4.34Å; W347-V352 HydrophobicContact CZ2-CB 3.93Å; W347-V352 HydrophobicContact CZ2-CG1 4.22Å; W347-V352 HydrophobicContact CZ2-CG2 3.87Å; W347-V352 VanDerWaalsContact NE1-CG1 3.35Å; W347-R430 PolarHBondContact O-NE 3Å; W347-R430 PolarHBondContact O-NH2 3.48Å | ||
| 348 | K | 91.9 | Very high | 96.8 | Very high | 178 Ų | 178 | 38.7 Ų | 38.7 | 77% | 0.774 | 20% | 0.2 | S | C | * | . | trans | -108.1 | -6.9 | -179.7 | -56.4 | -52.1 | -178.9 | -172.6 | 0 | 114.3 | F346 | F346-K348 WeakPolarHBondContact O-CD 3.37Å; F346-K348 WeakPolarHBondContact O-CE 3.46Å; F346-K348 WeakPolarHBondContact O-CG 3.38Å; F346-K348 PolarHBondContact O-N 3.44Å | ||
| 349 | G | 90.8 | Very high | 96.9 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 49% | 0.485 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -70.8 | -174.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 350 | S | 93.6 | Very high | 96.9 | Very high | 101 Ų | 101 | 35 Ų | 35 | 71% | 0.706 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -57.8 | 168.7 | 169.4 | 59 | 0 | 0 | 0 | 0 | 111.5 | W347 V352 | W347-S350 PolarHBondContact NE1-O 3.33Å; S350-V352 PolarHBondContact O-N 3.32Å |
| 351 | N | 96.8 | Very high | 96.9 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -51.1 | 129.2 | 176.5 | -164.5 | 22.1 | 0 | 0 | 0 | 110.6 | R430 S431 | N351-R430 PolarHBondContact OD1-N 3.12Å; N351-S431 WeakPolarHBondContact ND2-CB 3.47Å; N351-S431 PolarHBondContact ND2-OG 3.02Å; N351-S431 PolarHBondContact OD1-N 2.88Å; N351-S431 PolarHBondContact OD1-OG 3.38Å |
| 352 | V | 98.1 | Very high | 97 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -129.7 | 149.2 | -171.4 | 67 | 0 | 0 | 0 | 0 | 109.2 | L262 N264 W347 S350 L354 Y429 R430 | L262-V352 HydrophobicContact CB-CG2 4.38Å; L262-V352 HydrophobicContact CD2-CG2 4.22Å; L262-V352 HydrophobicContact CG-CG2 4.39Å; L262-V352 WeakPolarHBondContact O-CG2 3.13Å; N264-V352 HydrophobicContact CB-CG1 4.46Å; N264-V352 HydrophobicContact CB-CG2 4.07Å; W347-V352 HydrophobicContact CD2-CB 4.4Å; W347-V352 HydrophobicContact CD2-CG1 3.77Å; W347-V352 HydrophobicContact CG-CG1 3.76Å; W347-V352 HydrophobicContact CH2-CG2 4.34Å; W347-V352 HydrophobicContact CZ2-CB 3.93Å; W347-V352 HydrophobicContact CZ2-CG1 4.22Å; W347-V352 HydrophobicContact CZ2-CG2 3.87Å; W347-V352 VanDerWaalsContact NE1-CG1 3.35Å; S350-V352 PolarHBondContact O-N 3.32Å; V352-L354 HydrophobicContact CG1-CD2 3.64Å; V352-L354 HydrophobicContact CG1-CG 4.49Å; V352-L354 PolarHBondContact O-N 3.43Å; V352-Y429 WeakPolarHBondContact O-CA 3.27Å; V352-R430 HydrophobicContact CG1-CB 4.13Å; V352-R430 PolarHBondContact O-N 2.93Å | ||
| 353 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.9 | 170.6 | -179.7 | 54.4 | 0 | 0 | 0 | 108.8 | T261 L262 I263 N264 R372 T375 C427 Y429 | T261-L353 HydrophobicContact CG2-CD2 4.31Å; L262-L353 PolarHBondContact O-N 2.94Å; I263-L353 CarbonylContact C-O 3.6Å; I263-L353 WeakPolarHBondContact CA-O 3.47Å; I263-L353 HydrophobicContact CG1-CD2 3.96Å; I263-L353 HydrophobicContact CG1-CG 4.28Å; N264-L353 PolarHBondContact N-O 3.17Å; L353-R372 HydrophobicContact CD2-CB 4.3Å; L353-R372 HydrophobicContact CD2-CG 3.8Å; L353-T375 HydrophobicContact CD1-CG2 3.58Å; L353-C427 HydrophobicContact CD1-CB 4.27Å; L353-Y429 HydrophobicContact CB-CE1 4.24Å; L353-Y429 HydrophobicContact CD1-CD2 4.41Å; L353-Y429 HydrophobicContact CD1-CE2 4.35Å |
| 354 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.6 | 176.1 | -53.7 | 178.2 | 0 | 0 | 0 | 109 | N264 I266 A344 V352 F356 C427 Q428 R430 | N264-L354 HydrophobicContact CB-CD2 4.11Å; N264-L354 WeakPolarHBondContact O-CA 3.45Å; I266-L354 HydrophobicContact CD1-CB 4.44Å; I266-L354 HydrophobicContact CD1-CD1 4.44Å; I266-L354 HydrophobicContact CD1-CD2 3.84Å; I266-L354 HydrophobicContact CD1-CG 4.48Å; A344-L354 HydrophobicContact CB-CD1 3.63Å; V352-L354 HydrophobicContact CG1-CD2 3.64Å; V352-L354 HydrophobicContact CG1-CG 4.49Å; V352-L354 PolarHBondContact O-N 3.43Å; L354-F356 HydrophobicContact CB-CD1 4.4Å; L354-F356 HydrophobicContact CB-CE1 4.14Å; L354-F356 HydrophobicContact CD1-CE1 4.05Å; L354-F356 HydrophobicContact CD1-CZ 4.44Å; L354-C427 VanDerWaalsContact O-CA 3.27Å; L354-C427 WeakPolarHBondContact O-CA 3.38Å; L354-Q428 WeakPolarHBondContact CA-O 3.36Å; L354-Q428 HydrophobicContact CB-CG 4.28Å; L354-Q428 WeakPolarHBondContact CB-O 3.48Å; L354-Q428 PolarHBondContact N-O 3.04Å; L354-Q428 PolarHBondContact O-N 3.36Å; L354-R430 HydrophobicContact CD1-CB 3.92Å; L354-R430 HydrophobicContact CD1-CG 4.22Å; L354-R430 HydrophobicContact CD2-CB 4.31Å; L354-R430 HydrophobicContact CG-CB 4.07Å |
| 355 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.3 | 163.3 | 175.2 | -140.9 | 0 | 0 | 0 | 108.8 | I263 N264 V265 I266 C357 F363 F367 M425 T426 L472 | I263-F355 HydrophobicContact CG2-CB 3.71Å; N264-F355 PolarHBondContact O-N 3.25Å; V265-F355 WeakPolarHBondContact CA-O 3.39Å; V265-F355 HydrophobicContact CB-CD1 4.49Å; V265-F355 HydrophobicContact CG1-CD1 3.9Å; V265-F355 HydrophobicContact CG1-CE1 4.47Å; V265-F355 HydrophobicContact CG2-CB 4.41Å; V265-F355 HydrophobicContact CG2-CD1 4.04Å; I266-F355 PolarHBondContact N-O 3Å; F355-C357 HydrophobicContact CD1-CB 3.93Å; F355-C357 HydrophobicContact CE1-CB 3.62Å; F355-C357 WeakPolarHBondContact CE1-SG 3.47Å; F355-C357 HydrophobicContact CE2-CB 4.36Å; F355-C357 HydrophobicContact CG-CB 4.42Å; F355-C357 HydrophobicContact CZ-CB 3.85Å; F355-F363 HydrophobicContact CE1-CD1 4.03Å; F355-F363 HydrophobicContact CE1-CE1 4.15Å; F355-F363 HydrophobicContact CE1-CG 4.47Å; F355-F367 HydrophobicContact CD1-CE1 4.02Å; F355-F367 HydrophobicContact CD2-CE1 4.27Å; F355-F367 HydrophobicContact CD2-CZ 4.13Å; F355-F367 AromaticContact CE1-CE1 3.54Å; F355-F367 HydrophobicContact CE1-CE1 3.54Å; F355-F367 HydrophobicContact CE1-CZ 4.21Å; F355-F367 AromaticContact CE2-CE1 3.83Å; F355-F367 HydrophobicContact CE2-CE1 3.83Å; F355-F367 AromaticContact CE2-CZ 3.62Å; F355-F367 HydrophobicContact CE2-CZ 3.62Å; F355-F367 HydrophobicContact CG-CE1 4.39Å; F355-F367 AromaticContact CZ-CE1 3.44Å; F355-F367 HydrophobicContact CZ-CE1 3.44Å; F355-F367 VanDerWaalsContact CZ-CE1 3.44Å; F355-F367 AromaticContact CZ-CZ 3.67Å; F355-F367 HydrophobicContact CZ-CZ 3.67Å; F355-M425 HydrophobicContact CE2-CB 4.24Å; F355-M425 HydrophobicContact CE2-CG 4.47Å; F355-T426 WeakPolarHBondContact CA-O 3.49Å; F355-T426 WeakPolarHBondContact CD2-O 3.44Å; F355-L472 HydrophobicContact CZ-CD1 4.26Å |
| 356 | F | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 120.4 | 172.8 | -70.3 | -4.7 | 0 | 0 | 0 | 109.1 | I266 L340 A344 L354 M425 T426 F433 F439 L453 | I266-F356 HydrophobicContact CB-CD1 4.35Å; I266-F356 HydrophobicContact CD1-CD1 4.1Å; I266-F356 HydrophobicContact CD1-CE1 3.73Å; L340-F356 HydrophobicContact CB-CD1 4.47Å; L340-F356 HydrophobicContact CB-CD2 4.26Å; L340-F356 HydrophobicContact CB-CE1 4.39Å; L340-F356 HydrophobicContact CB-CE2 4.17Å; L340-F356 HydrophobicContact CB-CG 4.41Å; L340-F356 HydrophobicContact CB-CZ 4.24Å; L340-F356 HydrophobicContact CD1-CB 4.12Å; L340-F356 HydrophobicContact CD1-CD2 3.92Å; L340-F356 HydrophobicContact CD1-CG 4.08Å; L340-F356 HydrophobicContact CD2-CB 3.88Å; L340-F356 HydrophobicContact CD2-CD1 3.93Å; L340-F356 HydrophobicContact CD2-CD2 4.41Å; L340-F356 HydrophobicContact CD2-CG 3.83Å; L340-F356 HydrophobicContact CG-CD2 4.44Å; L340-F356 HydrophobicContact CG-CG 4.34Å; A344-F356 HydrophobicContact CB-CE1 4.16Å; A344-F356 HydrophobicContact CB-CZ 4.17Å; L354-F356 HydrophobicContact CB-CD1 4.4Å; L354-F356 HydrophobicContact CB-CE1 4.14Å; L354-F356 HydrophobicContact CD1-CE1 4.05Å; L354-F356 HydrophobicContact CD1-CZ 4.44Å; F356-M425 WeakPolarHBondContact O-CA 3.27Å; F356-T426 PolarHBondContact N-O 3.04Å; F356-F433 HydrophobicContact CE2-CD2 4.1Å; F356-F433 AromaticContact CE2-CE2 3.75Å; F356-F433 HydrophobicContact CE2-CE2 3.75Å; F356-F433 HydrophobicContact CE2-CZ 4.34Å; F356-F433 AromaticContact CZ-CD2 3.98Å; F356-F433 HydrophobicContact CZ-CD2 3.98Å; F356-F433 HydrophobicContact CZ-CE1 4.43Å; F356-F433 AromaticContact CZ-CE2 3.76Å; F356-F433 HydrophobicContact CZ-CE2 3.76Å; F356-F433 HydrophobicContact CZ-CG 4.41Å; F356-F433 HydrophobicContact CZ-CZ 4.01Å; F356-F439 AromaticContact CD2-CE2 3.94Å; F356-F439 HydrophobicContact CD2-CE2 3.94Å; F356-F439 AromaticContact CD2-CZ 3.99Å; F356-F439 HydrophobicContact CD2-CZ 3.99Å; F356-F439 HydrophobicContact CE2-CD2 4.37Å; F356-F439 AromaticContact CE2-CE2 3.32Å; F356-F439 HydrophobicContact CE2-CE2 3.32Å; F356-F439 AromaticContact CE2-CZ 3.78Å; F356-F439 HydrophobicContact CE2-CZ 3.78Å; F356-F439 HydrophobicContact CZ-CE2 4.08Å; F356-L453 HydrophobicContact CD2-CD2 4.5Å; F356-L453 HydrophobicContact CE2-CD2 4.1Å |
| 357 | C | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -139.4 | 134 | -166.3 | -170 | 0 | 0 | 0 | 0 | 111.1 | V265 I266 V267 P268 F355 | V265-C357 HydrophobicContact CG1-CB 3.73Å; I266-C357 PolarHBondContact O-N 3.39Å; I266-C357 VanDerWaalsContact O-N 3.1Å; V267-C357 HydrophobicContact CG2-CB 4.37Å; P268-C357 WeakPolarHBondContact CD-O 3.39Å; F355-C357 HydrophobicContact CD1-CB 3.93Å; F355-C357 HydrophobicContact CE1-CB 3.62Å; F355-C357 WeakPolarHBondContact CE1-SG 3.47Å; F355-C357 HydrophobicContact CE2-CB 4.36Å; F355-C357 HydrophobicContact CG-CB 4.42Å; F355-C357 HydrophobicContact CZ-CB 3.85Å | ||
| 358 | D | 96.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 28 Ų | 28 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | trans | -85.9 | 153.8 | 171.3 | -62.1 | -10.8 | 0 | 0 | 0 | 110.1 | R336 D360 I361 | R336-D358 IonicContact CZ-OD1 3.38Å; R336-D358 IonicContact NE-OD1 2.65Å; R336-D358 PolarHBondContact NE-OD1 3.35Å; R336-D358 IonicContact NE-OD2 3.25Å; R336-D358 IonicContact NH2-OD1 3.64Å; R336-D358 PolarHBondContact NH2-OD1 3.13Å; R336-D358 IonicContact NH2-OD2 3.05Å; D358-D360 PolarHBondContact O-N 2.88Å; D358-D360 VanDerWaalsContact O-N 3.15Å; D358-I361 HydrophobicContact CB-CD1 4.49Å; D358-I361 HydrophobicContact CB-CG1 3.95Å; D358-I361 WeakPolarHBondContact O-CB 3.37Å; D358-I361 WeakPolarHBondContact O-CG1 3.36Å; D358-I361 PolarHBondContact O-N 3.32Å; D358-I361 VanDerWaalsContact O-N 3.1Å | ||
| 359 | V | 97.1 | Very high | 96.9 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.9 | -178 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | V267 L269 K275 F276 F279 I361 | V267-V359 HydrophobicContact CG1-CB 4.12Å; L269-V359 HydrophobicContact CD1-CB 4.14Å; L269-V359 HydrophobicContact CD1-CG1 4.15Å; L269-V359 HydrophobicContact CD1-CG2 3.98Å; K275-V359 HydrophobicContact CB-CG1 4.15Å; K275-V359 HydrophobicContact CB-CG2 4.32Å; F276-V359 VanDerWaalsContact CA-CG2 3.47Å; F276-V359 HydrophobicContact CB-CG2 3.99Å; F276-V359 HydrophobicContact CD2-CG2 4.14Å; F279-V359 HydrophobicContact CB-CG2 3.9Å; F279-V359 WeakPolarHBondContact CB-O 3.32Å; F279-V359 HydrophobicContact CG-CG2 4.34Å; V359-I361 VanDerWaalsContact C-N 3.34Å |
| 360 | D | 95.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 10.3 | 178.1 | -55 | -46.2 | 0 | 0 | 0 | 113.7 | R272 K275 D358 L475 H477 | R272-D360 IonicContact CZ-OD1 3.67Å; R272-D360 VanDerWaalsContact CZ-OD1 3.25Å; R272-D360 IonicContact CZ-OD2 2.62Å; R272-D360 IonicContact NH1-OD1 3.97Å; R272-D360 IonicContact NH1-OD2 2.66Å; R272-D360 PolarHBondContact NH1-OD2 3.4Å; R272-D360 IonicContact NH2-OD1 2.82Å; R272-D360 PolarHBondContact NH2-OD1 3.37Å; R272-D360 IonicContact NH2-OD2 2.95Å; R272-D360 PolarHBondContact NH2-OD2 3.38Å; K275-D360 WeakPolarHBondContact CD-OD1 3.49Å; D358-D360 PolarHBondContact O-N 2.88Å; D358-D360 VanDerWaalsContact O-N 3.15Å; D360-L475 WeakPolarHBondContact O-CB 3.49Å; D360-L475 WeakPolarHBondContact O-CG 3.32Å; D360-L475 PolarHBondContact O-N 2.98Å; D360-H477 IonicContact OD2-CD2 3.4Å; D360-H477 PolarHBondContact OD2-CD2 2.77Å; D360-H477 IonicContact OD2-CG 2.75Å; D360-H477 IonicContact OD2-NE2 3.68Å; D360-H477 PolarHBondContact OD2-NE2 3.49Å |
| 361 | I | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.015 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127.6 | 175 | -57.8 | -51 | 0 | 0 | 0 | 109.2 | D358 V359 F363 L386 M425 L472 F473 H474 | D358-I361 HydrophobicContact CB-CD1 4.49Å; D358-I361 HydrophobicContact CB-CG1 3.95Å; D358-I361 WeakPolarHBondContact O-CB 3.37Å; D358-I361 WeakPolarHBondContact O-CG1 3.36Å; D358-I361 PolarHBondContact O-N 3.32Å; D358-I361 VanDerWaalsContact O-N 3.1Å; V359-I361 VanDerWaalsContact C-N 3.34Å; I361-F363 HydrophobicContact CG2-CD1 4.2Å; I361-L386 HydrophobicContact CD1-CD2 3.49Å; I361-L386 VanDerWaalsContact CD1-CD2 3.49Å; I361-M425 HydrophobicContact CD1-CG 4.27Å; I361-M425 HydrophobicContact CD1-SD 3.94Å; I361-M425 HydrophobicContact CG1-CG 4.12Å; I361-M425 HydrophobicContact CG1-SD 4.13Å; I361-L472 HydrophobicContact CG2-CD1 3.4Å; I361-L472 VanDerWaalsContact CG2-CD1 3.4Å; I361-L472 HydrophobicContact CG2-CG 4.39Å; I361-F473 WeakPolarHBondContact CA-O 3.31Å; I361-H474 HydrophobicContact CD1-CB 3.97Å |
| 362 | Y | 98.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 11.2 Ų | 11.2 | 9% | 0.094 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.9 | 163.4 | -179.8 | -77.3 | 0 | 0 | 0 | 108.5 | N282 T364 L405 L409 F473 | N282-Y362 HydrophobicContact CB-CD2 4.05Å; N282-Y362 HydrophobicContact CB-CE2 4.17Å; N282-Y362 VanDerWaalsContact ND2-CD2 3.34Å; N282-Y362 WeakPolarHBondContact ND2-CD2 3.44Å; N282-Y362 WeakPolarHBondContact ND2-CE2 3.35Å; N282-Y362 VanDerWaalsContact ND2-CZ 3.28Å; Y362-T364 HydrophobicContact CE1-CG2 4.14Å; Y362-L405 HydrophobicContact CD2-CD2 3.99Å; Y362-L405 HydrophobicContact CE2-CD2 4.28Å; Y362-L409 HydrophobicContact CD1-CD1 3.78Å; Y362-L409 HydrophobicContact CD1-CD2 3.85Å; Y362-L409 HydrophobicContact CD1-CG 4.47Å; Y362-L409 HydrophobicContact CD2-CD1 4.23Å; Y362-L409 HydrophobicContact CE1-CD1 3.33Å; Y362-L409 HydrophobicContact CE1-CD2 4.28Å; Y362-L409 HydrophobicContact CE1-CG 4.43Å; Y362-L409 HydrophobicContact CE2-CD1 3.79Å; Y362-L409 HydrophobicContact CG-CD1 4.22Å; Y362-L409 HydrophobicContact CG-CD2 4.01Å; Y362-F473 HydrophobicContact CD1-CD2 4.24Å; Y362-F473 PolarHBondContact N-O 3.33Å; Y362-F473 PolarHBondContact O-N 2.73Å |
| 363 | F | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 160.6 | 175.2 | 59.8 | -93.2 | 0 | 0 | 0 | 112.2 | F279 N282 M286 C287 F355 I361 F367 L368 G471 L472 | F279-F363 AromaticContact CE2-CE1 3.94Å; F279-F363 HydrophobicContact CE2-CE1 3.94Å; F279-F363 HydrophobicContact CZ-CE1 4.37Å; N282-F363 PolarHBondContact ND2-O 3.38Å; N282-F363 PolarHBondContact OD1-N 3.2Å; N282-F363 PolarHBondContact OD1-O 3.11Å; M286-F363 WeakPolarHBondContact CG-O 3.34Å; C287-F363 WeakPolarHBondContact SG-CE2 3.44Å; C287-F363 VanDerWaalsContact SG-CZ 3.57Å; F355-F363 HydrophobicContact CE1-CD1 4.03Å; F355-F363 HydrophobicContact CE1-CE1 4.15Å; F355-F363 HydrophobicContact CE1-CG 4.47Å; I361-F363 HydrophobicContact CG2-CD1 4.2Å; F363-F367 HydrophobicContact CB-CB 4.4Å; F363-F367 HydrophobicContact CB-CD1 3.64Å; F363-F367 HydrophobicContact CB-CE1 4.32Å; F363-F367 HydrophobicContact CB-CG 4.22Å; F363-F367 HydrophobicContact CD2-CD1 4.17Å; F363-F367 HydrophobicContact CG-CD1 4.06Å; F363-L368 HydrophobicContact CD2-CD2 4.04Å; F363-L368 HydrophobicContact CD2-CG 4.24Å; F363-L368 HydrophobicContact CE2-CD1 4.29Å; F363-L368 HydrophobicContact CE2-CD2 3.83Å; F363-L368 HydrophobicContact CE2-CG 4.2Å; F363-G471 CarbonylContact C-O 3.58Å; F363-G471 WeakPolarHBondContact CA-O 3.28Å; F363-L472 HydrophobicContact CB-CD1 3.76Å |
| 364 | T | 97.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 11.4 Ų | 11.4 | 18% | 0.184 | 6% | 0.062 | C | C | . | . | trans | -103.6 | 164.9 | 178.3 | 65.5 | 0 | 0 | 0 | 0 | 112 | Y362 E366 F367 L368 G471 | Y362-T364 HydrophobicContact CE1-CG2 4.14Å; T364-E366 PolarHBondContact O-N 3.36Å; T364-E366 PolarHBondContact OG1-N 3.13Å; T364-F367 WeakPolarHBondContact O-CB 3.36Å; T364-F367 PolarHBondContact O-N 2.87Å; T364-F367 VanDerWaalsContact O-N 3.16Å; T364-F367 PolarHBondContact OG1-N 3.4Å; T364-L368 PolarHBondContact O-N 2.84Å; T364-G471 PolarHBondContact N-O 2.97Å | ||
| 365 | S | 95.9 | Very high | 97.3 | Very high | 27 Ų | 27 | 11.9 Ų | 11.9 | 19% | 0.189 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.7 | -28.7 | 170.9 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | Q290 L368 N369 | Q290-S365 PolarHBondContact OE1-OG 3.31Å; S365-L368 WeakPolarHBondContact O-CB 3.43Å; S365-L368 PolarHBondContact O-N 2.97Å; S365-N369 PolarHBondContact O-N 2.86Å |
| 366 | E | 94.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 15.5 Ų | 15.5 | 21% | 0.206 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 172.8 | -173.4 | -175.9 | 168.7 | 0 | 0 | 111.9 | T364 L368 N369 T370 R470 | T364-E366 PolarHBondContact O-N 3.36Å; T364-E366 PolarHBondContact OG1-N 3.13Å; E366-L368 PolarHBondContact O-N 3.48Å; E366-N369 WeakPolarHBondContact O-CA 3.47Å; E366-N369 WeakPolarHBondContact O-CB 2.99Å; E366-N369 PolarHBondContact O-N 3.06Å; E366-T370 PolarHBondContact O-N 3.45Å; E366-T370 PolarHBondContact O-OG1 3.2Å; E366-R470 IonicContact OE1-CZ 3.31Å; E366-R470 IonicContact OE1-NE 2.67Å; E366-R470 PolarHBondContact OE1-NE 3.01Å; E366-R470 VanDerWaalsContact OE1-NE 3.1Å; E366-R470 IonicContact OE1-NH1 2.73Å; E366-R470 IonicContact OE1-NH2 3.55Å; E366-R470 PolarHBondContact OE1-NH2 3.12Å; E366-R470 IonicContact OE2-CZ 2.98Å; E366-R470 IonicContact OE2-NE 2.72Å; E366-R470 IonicContact OE2-NH1 2.74Å; E366-R470 PolarHBondContact OE2-NH1 2.65Å; E366-R470 IonicContact OE2-NH2 3.78Å; E366-R470 PolarHBondContact OE2-NH2 3.09Å |
| 367 | F | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.2 | -37.5 | 175.9 | 164.7 | -101.1 | 0 | 0 | 0 | 112 | F355 F363 T364 N369 T370 C371 F382 P384 V469 L472 | F355-F367 HydrophobicContact CD1-CE1 4.02Å; F355-F367 HydrophobicContact CD2-CE1 4.27Å; F355-F367 HydrophobicContact CD2-CZ 4.13Å; F355-F367 AromaticContact CE1-CE1 3.54Å; F355-F367 HydrophobicContact CE1-CE1 3.54Å; F355-F367 HydrophobicContact CE1-CZ 4.21Å; F355-F367 AromaticContact CE2-CE1 3.83Å; F355-F367 HydrophobicContact CE2-CE1 3.83Å; F355-F367 AromaticContact CE2-CZ 3.62Å; F355-F367 HydrophobicContact CE2-CZ 3.62Å; F355-F367 HydrophobicContact CG-CE1 4.39Å; F355-F367 AromaticContact CZ-CE1 3.44Å; F355-F367 HydrophobicContact CZ-CE1 3.44Å; F355-F367 VanDerWaalsContact CZ-CE1 3.44Å; F355-F367 AromaticContact CZ-CZ 3.67Å; F355-F367 HydrophobicContact CZ-CZ 3.67Å; F363-F367 HydrophobicContact CB-CB 4.4Å; F363-F367 HydrophobicContact CB-CD1 3.64Å; F363-F367 HydrophobicContact CB-CE1 4.32Å; F363-F367 HydrophobicContact CB-CG 4.22Å; F363-F367 HydrophobicContact CD2-CD1 4.17Å; F363-F367 HydrophobicContact CG-CD1 4.06Å; T364-F367 WeakPolarHBondContact O-CB 3.36Å; T364-F367 PolarHBondContact O-N 2.87Å; T364-F367 VanDerWaalsContact O-N 3.16Å; T364-F367 PolarHBondContact OG1-N 3.4Å; F367-N369 PolarHBondContact O-N 2.72Å; F367-T370 PolarHBondContact O-N 2.9Å; F367-C371 HydrophobicContact CZ-CB 4.45Å; F367-C371 WeakPolarHBondContact O-CB 3.34Å; F367-C371 PolarHBondContact O-N 3.31Å; F367-F382 HydrophobicContact CE2-CE1 4.32Å; F367-P384 HydrophobicContact CE2-CB 3.86Å; F367-P384 HydrophobicContact CE2-CG 3.85Å; F367-P384 HydrophobicContact CZ-CG 4.14Å; F367-V469 HydrophobicContact CD2-CB 4.45Å; F367-V469 HydrophobicContact CD2-CG1 3.77Å; F367-L472 HydrophobicContact CD1-CD1 4.17Å; F367-L472 HydrophobicContact CD2-CB 4.07Å; F367-L472 HydrophobicContact CD2-CD1 4.3Å; F367-L472 HydrophobicContact CD2-CD2 4.23Å; F367-L472 HydrophobicContact CD2-CG 4.44Å; F367-L472 HydrophobicContact CE1-CD1 4.03Å; F367-L472 HydrophobicContact CE2-CB 4.41Å; F367-L472 HydrophobicContact CE2-CD1 4.18Å; F367-L472 HydrophobicContact CE2-CD2 3.73Å; F367-L472 HydrophobicContact CE2-CG 4.34Å; F367-L472 HydrophobicContact CG-CB 4.42Å; F367-L472 HydrophobicContact CG-CD1 4.29Å; F367-L472 HydrophobicContact CZ-CD1 4.03Å; F367-L472 HydrophobicContact CZ-CD2 4.07Å |
| 368 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.2 | -32.8 | 175.5 | -60.9 | 177.2 | 0 | 0 | 0 | 112.1 | I263 D291 V294 F363 T364 S365 E366 R372 | I263-L368 HydrophobicContact CD1-CB 3.88Å; I263-L368 HydrophobicContact CD1-CD2 3.86Å; I263-L368 HydrophobicContact CD1-CG 4.44Å; I263-L368 WeakPolarHBondContact CD1-O 3.41Å; D291-L368 HydrophobicContact CB-CD1 3.8Å; V294-L368 HydrophobicContact CG2-CD1 3.88Å; F363-L368 HydrophobicContact CD2-CD2 4.04Å; F363-L368 HydrophobicContact CD2-CG 4.24Å; F363-L368 HydrophobicContact CE2-CD1 4.29Å; F363-L368 HydrophobicContact CE2-CD2 3.83Å; F363-L368 HydrophobicContact CE2-CG 4.2Å; T364-L368 PolarHBondContact O-N 2.84Å; S365-L368 WeakPolarHBondContact O-CB 3.43Å; S365-L368 PolarHBondContact O-N 2.97Å; E366-L368 PolarHBondContact O-N 3.48Å; L368-R372 WeakPolarHBondContact O-CG 3.34Å; L368-R372 PolarHBondContact O-N 3.12Å; L368-R372 PolarHBondContact O-NH1 3.04Å |
| 369 | N | 95.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 21.2 Ų | 21.2 | 19% | 0.193 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.4 | -45.6 | 172 | -68.4 | -44.6 | 0 | 0 | 0 | 111.3 | F236 S365 E366 F367 C371 R372 L373 | F236-N369 HydrophobicContact CZ-CB 4.5Å; S365-N369 PolarHBondContact O-N 2.86Å; E366-N369 WeakPolarHBondContact O-CA 3.47Å; E366-N369 WeakPolarHBondContact O-CB 2.99Å; E366-N369 PolarHBondContact O-N 3.06Å; F367-N369 PolarHBondContact O-N 2.72Å; N369-C371 PolarHBondContact O-N 3.4Å; N369-R372 PolarHBondContact O-N 2.87Å; N369-L373 HydrophobicContact CB-CD1 4.41Å; N369-L373 WeakPolarHBondContact O-CB 3.09Å; N369-L373 VanDerWaalsContact O-CG 3.24Å; N369-L373 WeakPolarHBondContact O-CG 3.39Å; N369-L373 PolarHBondContact O-N 3.06Å |
| 370 | T | 97 | Very high | 96.9 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.9 | -40.3 | 174.6 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | E211 E366 F367 L373 N374 F382 V469 | E211-T370 PolarHBondContact OE1-OG1 2.85Å; E211-T370 PolarHBondContact OE2-OG1 2.78Å; E366-T370 PolarHBondContact O-N 3.45Å; E366-T370 PolarHBondContact O-OG1 3.2Å; F367-T370 PolarHBondContact O-N 2.9Å; T370-L373 PolarHBondContact O-N 2.89Å; T370-N374 WeakPolarHBondContact CG2-ND2 3.4Å; T370-N374 WeakPolarHBondContact O-CB 3.42Å; T370-N374 PolarHBondContact O-N 3.08Å; T370-N374 PolarHBondContact O-ND2 2.84Å; T370-F382 HydrophobicContact CG2-CE1 3.97Å; T370-F382 HydrophobicContact CG2-CZ 3.75Å; T370-V469 HydrophobicContact CG2-CG1 4.33Å; T370-V469 HydrophobicContact CG2-CG2 4.38Å |
| 371 | C | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | I263 F367 N369 T375 C427 | I263-C371 HydrophobicContact CD1-CB 4.39Å; F367-C371 HydrophobicContact CZ-CB 4.45Å; F367-C371 WeakPolarHBondContact O-CB 3.34Å; F367-C371 PolarHBondContact O-N 3.31Å; N369-C371 PolarHBondContact O-N 3.4Å; C371-T375 WeakPolarHBondContact O-CB 3.38Å; C371-T375 PolarHBondContact O-N 3.43Å; C371-T375 PolarHBondContact O-OG1 3.49Å; C371-C427 HydrophobicContact CB-CB 4.06Å; C371-C427 WeakPolarHBondContact CB-SG 3.29Å; C371-C427 WeakPolarHBondContact SG-CB 3.42Å; C371-C427 CovalentContact SG-SG 2.03Å; C371-C427 PolarHBondContact SG-SG 2.99Å |
| 372 | R | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 177.1 | -68.3 | 171.8 | -177.1 | 109.4 | -5.4 | 112.5 | M258 T261 I263 D291 R293 L353 L368 N369 N374 T375 | M258-R372 HydrophobicContact CG-CB 4.21Å; M258-R372 HydrophobicContact SD-CB 3.92Å; T261-R372 HydrophobicContact CG2-CB 4.36Å; T261-R372 HydrophobicContact CG2-CG 3.82Å; T261-R372 PolarHBondContact O-NE 3.31Å; I263-R372 HydrophobicContact CD1-CG 3.98Å; I263-R372 VanDerWaalsContact CD1-CZ 3.43Å; I263-R372 HydrophobicContact CG1-CG 4.14Å; D291-R372 IonicContact OD1-CZ 3.41Å; D291-R372 IonicContact OD1-NH1 3.63Å; D291-R372 IonicContact OD1-NH2 3.28Å; D291-R372 PolarHBondContact OD1-NH2 2.9Å; D291-R372 IonicContact OD2-CZ 3.1Å; D291-R372 IonicContact OD2-NH1 2.88Å; D291-R372 PolarHBondContact OD2-NH1 3.45Å; D291-R372 IonicContact OD2-NH2 3.67Å; D291-R372 PolarHBondContact OD2-NH2 3.25Å; R293-R372 PolarHBondContact O-NH2 3.22Å; L353-R372 HydrophobicContact CD2-CB 4.3Å; L353-R372 HydrophobicContact CD2-CG 3.8Å; L368-R372 WeakPolarHBondContact O-CG 3.34Å; L368-R372 PolarHBondContact O-N 3.12Å; L368-R372 PolarHBondContact O-NH1 3.04Å; N369-R372 PolarHBondContact O-N 2.87Å; R372-N374 VanDerWaalsContact C-N 3.31Å; R372-N374 PolarHBondContact O-N 3.09Å; R372-T375 PolarHBondContact O-N 3.1Å |
| 373 | L | 97 | Very high | 97 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.8 | -27.9 | -173.6 | -74.8 | 168.7 | 0 | 0 | 0 | 112.8 | T227 F236 R238 L256 M258 N369 T370 | T227-L373 HydrophobicContact CG2-CD1 3.99Å; T227-L373 HydrophobicContact CG2-CD2 4.31Å; F236-L373 HydrophobicContact CB-CD2 4.12Å; F236-L373 HydrophobicContact CD1-CD1 4.28Å; F236-L373 HydrophobicContact CD1-CD2 4.43Å; F236-L373 HydrophobicContact CD2-CD2 3.79Å; F236-L373 HydrophobicContact CE1-CD1 4.22Å; F236-L373 HydrophobicContact CE2-CD2 4.29Å; F236-L373 HydrophobicContact CG-CD2 3.86Å; F236-L373 HydrophobicContact CZ-CD1 4.4Å; R238-L373 PolarHBondContact NH1-O 3.41Å; R238-L373 PolarHBondContact NH2-O 2.83Å; L256-L373 HydrophobicContact CD1-CD2 3.81Å; M258-L373 HydrophobicContact CG-CD2 4.32Å; N369-L373 HydrophobicContact CB-CD1 4.41Å; N369-L373 WeakPolarHBondContact O-CB 3.09Å; N369-L373 VanDerWaalsContact O-CG 3.24Å; N369-L373 WeakPolarHBondContact O-CG 3.39Å; N369-L373 PolarHBondContact O-N 3.06Å; T370-L373 PolarHBondContact O-N 2.89Å |
| 374 | N | 97.4 | Very high | 97 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 8.5 | -178.6 | -64.6 | -57.8 | 0 | 0 | 0 | 114.1 | R238 T370 R372 F382 V465 | R238-N374 PolarHBondContact NH1-OD1 3.48Å; R238-N374 VanDerWaalsContact NH1-OD1 3.13Å; R238-N374 PolarHBondContact NH2-OD1 2.94Å; T370-N374 WeakPolarHBondContact CG2-ND2 3.4Å; T370-N374 WeakPolarHBondContact O-CB 3.42Å; T370-N374 PolarHBondContact O-N 3.08Å; T370-N374 PolarHBondContact O-ND2 2.84Å; R372-N374 VanDerWaalsContact C-N 3.31Å; R372-N374 PolarHBondContact O-N 3.09Å; N374-F382 HydrophobicContact CB-CB 4.08Å; N374-F382 HydrophobicContact CB-CD1 4.25Å; N374-F382 HydrophobicContact CB-CD2 3.48Å; N374-F382 VanDerWaalsContact CB-CD2 3.48Å; N374-F382 HydrophobicContact CB-CE2 3.87Å; N374-F382 HydrophobicContact CB-CG 3.7Å; N374-F382 HydrophobicContact CB-CZ 4.4Å; N374-V465 HydrophobicContact CB-CG1 4.2Å |
| 375 | T | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 6% | 0.055 | 11% | 0.111 | C | C | . | . | trans | -121.7 | 135.2 | 176.9 | -43.1 | 0 | 0 | 0 | 0 | 110.8 | L353 C371 R372 K380 F382 C427 Y429 | L353-T375 HydrophobicContact CD1-CG2 3.58Å; C371-T375 WeakPolarHBondContact O-CB 3.38Å; C371-T375 PolarHBondContact O-N 3.43Å; C371-T375 PolarHBondContact O-OG1 3.49Å; R372-T375 PolarHBondContact O-N 3.1Å; T375-K380 WeakPolarHBondContact CG2-O 3.43Å; T375-F382 WeakPolarHBondContact OG1-CB 3.29Å; T375-C427 PolarHBondContact OG1-O 2.96Å; T375-Y429 HydrophobicContact CG2-CD2 3.67Å; T375-Y429 HydrophobicContact CG2-CE2 3.9Å | ||
| 376 | Q | 96.2 | Very high | 97.1 | Very high | 77 Ų | 77 | 17.3 Ų | 17.3 | 36% | 0.36 | 10% | 0.103 | S | C | . | . | B | Isolated β-bridge | trans | -143.1 | 128.4 | 178.4 | -177.1 | 178.3 | -13.9 | 0 | 0 | 110.1 | G378 K379 K380 | Q376-G378 PolarHBondContact O-N 2.93Å; Q376-K379 HydrophobicContact CB-CB 4.19Å; Q376-K379 HydrophobicContact CG-CB 4.02Å; Q376-K379 PolarHBondContact O-N 2.66Å; Q376-K380 HydrophobicContact CB-CB 4.05Å; Q376-K380 HydrophobicContact CB-CG 4.33Å; Q376-K380 PolarHBondContact N-O 2.83Å; Q376-K380 PolarHBondContact O-N 2.67Å; Q376-K380 VanDerWaalsContact O-O 3.11Å |
| 377 | P | 96.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 15.2 Ų | 15.2 | 38% | 0.383 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 131.6 | -176.7 | -13.6 | 24.8 | 0 | 0 | 0 | 110.9 | K379 Y429 D432 | P377-K379 PolarHBondContact O-N 3.32Å; P377-K379 VanDerWaalsContact O-N 3.13Å; P377-Y429 HydrophobicContact CB-CD1 4.37Å; P377-Y429 HydrophobicContact CB-CD2 3.99Å; P377-Y429 HydrophobicContact CB-CE2 4.46Å; P377-Y429 HydrophobicContact CB-CG 3.94Å; P377-Y429 HydrophobicContact CG-CD1 3.78Å; P377-Y429 HydrophobicContact CG-CD2 3.53Å; P377-Y429 HydrophobicContact CG-CE1 3.74Å; P377-Y429 HydrophobicContact CG-CE2 3.54Å; P377-Y429 HydrophobicContact CG-CG 3.66Å; P377-Y429 VanDerWaalsContact N-CD2 3.32Å; P377-D432 WeakPolarHBondContact CA-OD2 3.3Å |
| 378 | G | 96.4 | Very high | 97.1 | Very high | 55 Ų | 55 | 15.1 Ų | 15.1 | 57% | 0.567 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 7.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q376 D432 L462 | Q376-G378 PolarHBondContact O-N 2.93Å; G378-D432 VanDerWaalsContact N-CG 3.3Å; G378-D432 PolarHBondContact N-OD1 3.21Å; G378-D432 PolarHBondContact N-OD2 3.3Å; G378-L462 VanDerWaalsContact O-CD2 3.29Å; G378-L462 WeakPolarHBondContact O-CD2 3.43Å |
| 379 | K | 95.4 | Very high | 97 | Very high | 44 Ų | 44 | 15.6 Ų | 15.6 | 19% | 0.191 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135 | -45.7 | 180 | -167.3 | 178.4 | -179.7 | -176.8 | 0 | 115.6 | H134 Q376 P377 L462 I463 | H134-K379 VanDerWaalsContact O-CE 3.27Å; H134-K379 WeakPolarHBondContact O-CE 3.3Å; Q376-K379 HydrophobicContact CB-CB 4.19Å; Q376-K379 HydrophobicContact CG-CB 4.02Å; Q376-K379 PolarHBondContact O-N 2.66Å; P377-K379 PolarHBondContact O-N 3.32Å; P377-K379 VanDerWaalsContact O-N 3.13Å; K379-L462 VanDerWaalsContact N-CD2 3.3Å; K379-I463 PolarHBondContact O-N 2.88Å |
| 380 | K | 96.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132 | -173 | -63.1 | -171.2 | 168 | -175.6 | 0 | 111.4 | E225 T375 Q376 I463 V465 | E225-K380 IonicContact OE1-NZ 3.82Å; E225-K380 PolarHBondContact OE1-NZ 2.89Å; E225-K380 IonicContact OE2-NZ 3.2Å; E225-K380 PolarHBondContact OE2-NZ 3.25Å; T375-K380 WeakPolarHBondContact CG2-O 3.43Å; Q376-K380 HydrophobicContact CB-CB 4.05Å; Q376-K380 HydrophobicContact CB-CG 4.33Å; Q376-K380 PolarHBondContact N-O 2.83Å; Q376-K380 PolarHBondContact O-N 2.67Å; Q376-K380 VanDerWaalsContact O-O 3.11Å; K380-I463 WeakPolarHBondContact CA-O 3.41Å; K380-I463 HydrophobicContact CG-CB 4.2Å; K380-I463 HydrophobicContact CG-CD1 4.47Å; K380-V465 HydrophobicContact CD-CG2 4.28Å |
| 381 | V | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141 | 167.4 | 62.5 | 0 | 0 | 0 | 0 | 109.6 | Y383 Q428 Y457 I463 V464 V465 | V381-Y383 HydrophobicContact CG1-CD2 4.38Å; V381-Y383 HydrophobicContact CG1-CE2 4.23Å; V381-Y383 HydrophobicContact CG2-CD2 4.08Å; V381-Y383 HydrophobicContact CG2-CE2 3.73Å; V381-Q428 HydrophobicContact CG2-CB 3.72Å; V381-Y457 HydrophobicContact CB-CD1 4.27Å; V381-Y457 HydrophobicContact CB-CE1 4.3Å; V381-Y457 HydrophobicContact CG1-CD1 3.9Å; V381-Y457 HydrophobicContact CG1-CD2 4.47Å; V381-Y457 HydrophobicContact CG1-CE1 4.42Å; V381-Y457 HydrophobicContact CG1-CG 3.91Å; V381-Y457 HydrophobicContact CG2-CD1 4.43Å; V381-Y457 HydrophobicContact CG2-CD2 4.34Å; V381-Y457 HydrophobicContact CG2-CE1 4.22Å; V381-Y457 HydrophobicContact CG2-CE2 4.1Å; V381-Y457 HydrophobicContact CG2-CG 4.47Å; V381-I463 PolarHBondContact N-O 3.46Å; V381-V464 HydrophobicContact CG1-CB 4.31Å; V381-V464 HydrophobicContact CG1-CG1 4.47Å; V381-V464 HydrophobicContact CG1-CG2 3.77Å; V381-V465 PolarHBondContact O-N 3.23Å |
| 382 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.9 | -175.4 | -177.7 | -127.7 | 0 | 0 | 0 | 112 | F367 T370 N374 T375 P384 T426 C427 V465 T467 V469 | F367-F382 HydrophobicContact CE2-CE1 4.32Å; T370-F382 HydrophobicContact CG2-CE1 3.97Å; T370-F382 HydrophobicContact CG2-CZ 3.75Å; N374-F382 HydrophobicContact CB-CB 4.08Å; N374-F382 HydrophobicContact CB-CD1 4.25Å; N374-F382 HydrophobicContact CB-CD2 3.48Å; N374-F382 VanDerWaalsContact CB-CD2 3.48Å; N374-F382 HydrophobicContact CB-CE2 3.87Å; N374-F382 HydrophobicContact CB-CG 3.7Å; N374-F382 HydrophobicContact CB-CZ 4.4Å; T375-F382 WeakPolarHBondContact OG1-CB 3.29Å; F382-P384 HydrophobicContact CD1-CB 4.34Å; F382-P384 HydrophobicContact CD1-CG 4.28Å; F382-P384 HydrophobicContact CE1-CB 3.65Å; F382-P384 HydrophobicContact CE1-CG 4.03Å; F382-P384 HydrophobicContact CZ-CB 3.79Å; F382-P384 WeakPolarHBondContact O-CD 3.35Å; F382-T426 CarbonylContact O-C 3.55Å; F382-T426 WeakPolarHBondContact O-CA 3.39Å; F382-C427 HydrophobicContact CB-CB 4.03Å; F382-C427 HydrophobicContact CD1-CB 3.97Å; F382-C427 HydrophobicContact CG-CB 4.49Å; F382-C427 PolarHBondContact N-O 3.44Å; F382-C427 PolarHBondContact O-N 3.38Å; F382-V465 WeakPolarHBondContact CA-O 3.43Å; F382-V465 HydrophobicContact CD2-CB 3.96Å; F382-V465 HydrophobicContact CD2-CG1 3.81Å; F382-V465 VanDerWaalsContact CD2-O 3.24Å; F382-V465 WeakPolarHBondContact CD2-O 3.44Å; F382-V465 HydrophobicContact CE2-CG1 4.06Å; F382-T467 HydrophobicContact CE2-CG2 3.73Å; F382-T467 HydrophobicContact CZ-CG2 4.07Å; F382-V469 HydrophobicContact CE1-CG2 4.4Å; F382-V469 HydrophobicContact CZ-CG2 3.76Å |
| 383 | Y | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 81.2 | 177 | -86.2 | -95.3 | 0 | 0 | 0 | 109.6 | V381 V385 F423 T426 Y454 Y457 V464 V465 R466 | V381-Y383 HydrophobicContact CG1-CD2 4.38Å; V381-Y383 HydrophobicContact CG1-CE2 4.23Å; V381-Y383 HydrophobicContact CG2-CD2 4.08Å; V381-Y383 HydrophobicContact CG2-CE2 3.73Å; Y383-V385 PolarHBondContact O-N 3.29Å; Y383-F423 HydrophobicContact CD1-CB 4.46Å; Y383-F423 HydrophobicContact CD1-CD1 4.35Å; Y383-F423 HydrophobicContact CE1-CB 4.29Å; Y383-F423 WeakPolarHBondContact CE1-O 3.35Å; Y383-T426 HydrophobicContact CD1-CG2 3.78Å; Y383-T426 HydrophobicContact CE1-CG2 3.27Å; Y383-T426 HydrophobicContact CE2-CG2 4.48Å; Y383-Y454 AromaticContact CD1-CD2 3.58Å; Y383-Y454 HydrophobicContact CD1-CD2 3.58Å; Y383-Y454 HydrophobicContact CD1-CE2 4.02Å; Y383-Y454 AromaticContact CD2-CD2 3.8Å; Y383-Y454 HydrophobicContact CD2-CD2 3.8Å; Y383-Y454 AromaticContact CD2-CE2 3.94Å; Y383-Y454 HydrophobicContact CD2-CE2 3.94Å; Y383-Y454 AromaticContact CE1-CD2 3.51Å; Y383-Y454 HydrophobicContact CE1-CD2 3.51Å; Y383-Y454 HydrophobicContact CE1-CE2 4.39Å; Y383-Y454 HydrophobicContact CE1-CG 4.26Å; Y383-Y454 AromaticContact CE2-CD2 3.75Å; Y383-Y454 HydrophobicContact CE2-CD2 3.75Å; Y383-Y454 HydrophobicContact CE2-CE2 4.32Å; Y383-Y454 AromaticContact CG-CD2 3.72Å; Y383-Y454 HydrophobicContact CG-CD2 3.72Å; Y383-Y454 AromaticContact CG-CE2 3.78Å; Y383-Y454 HydrophobicContact CG-CE2 3.78Å; Y383-Y454 AromaticContact CZ-CD2 3.61Å; Y383-Y457 AromaticContact CE2-CD2 3.83Å; Y383-Y457 HydrophobicContact CE2-CD2 3.83Å; Y383-Y457 HydrophobicContact CE2-CE2 4.28Å; Y383-Y457 VanDerWaalsContact OH-CD2 3.28Å; Y383-Y457 WeakPolarHBondContact OH-CD2 3.33Å; Y383-V464 HydrophobicContact CD2-CG1 4.05Å; Y383-V465 PolarHBondContact N-O 2.84Å; Y383-R466 WeakPolarHBondContact O-CA 3.28Å |
| 384 | P | 97.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 137.7 | 179.2 | 27.7 | -35.8 | 0 | 0 | 0 | 111.3 | F367 F382 M425 V469 L472 | F367-P384 HydrophobicContact CE2-CB 3.86Å; F367-P384 HydrophobicContact CE2-CG 3.85Å; F367-P384 HydrophobicContact CZ-CG 4.14Å; F382-P384 HydrophobicContact CD1-CB 4.34Å; F382-P384 HydrophobicContact CD1-CG 4.28Å; F382-P384 HydrophobicContact CE1-CB 3.65Å; F382-P384 HydrophobicContact CE1-CG 4.03Å; F382-P384 HydrophobicContact CZ-CB 3.79Å; F382-P384 WeakPolarHBondContact O-CD 3.35Å; P384-M425 WeakPolarHBondContact CD-O 3.35Å; P384-M425 HydrophobicContact CG-CB 4.42Å; P384-V469 HydrophobicContact CB-CG2 3.68Å; P384-L472 HydrophobicContact CB-CD2 3.71Å; P384-L472 HydrophobicContact CG-CD2 3.84Å |
| 385 | V | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.3 | 169.7 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | L159 Y383 W418 R466 T467 P468 V469 | L159-V385 HydrophobicContact CD1-CG2 4.09Å; L159-V385 HydrophobicContact CD2-CB 4.02Å; L159-V385 HydrophobicContact CD2-CG1 3.63Å; L159-V385 HydrophobicContact CD2-CG2 4.15Å; Y383-V385 PolarHBondContact O-N 3.29Å; V385-W418 HydrophobicContact CG1-CB 4.1Å; V385-W418 HydrophobicContact CG1-CE3 4.49Å; V385-W418 WeakPolarHBondContact O-CZ3 3.17Å; V385-R466 HydrophobicContact CG2-CG 3.82Å; V385-T467 PolarHBondContact N-O 3.34Å; V385-P468 WeakPolarHBondContact O-CA 3Å; V385-V469 PolarHBondContact O-N 3.45Å |
| 386 | L | 96.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 160.1 | -179.3 | 63.2 | 70.6 | 0 | 0 | 0 | 112.8 | I361 S388 R419 M425 L472 H474 | I361-L386 HydrophobicContact CD1-CD2 3.49Å; I361-L386 VanDerWaalsContact CD1-CD2 3.49Å; L386-S388 WeakPolarHBondContact CD1-OG 3.32Å; L386-R419 HydrophobicContact CD1-CB 3.81Å; L386-R419 PolarHBondContact O-N 2.83Å; L386-M425 HydrophobicContact CD2-CE 3.26Å; L386-M425 HydrophobicContact CD2-CG 4.04Å; L386-M425 HydrophobicContact CD2-SD 3.92Å; L386-M425 HydrophobicContact CG-CE 4.02Å; L386-L472 HydrophobicContact CB-CB 4.28Å; L386-L472 HydrophobicContact CB-CD2 3.68Å; L386-L472 HydrophobicContact CB-CG 3.64Å; L386-H474 HydrophobicContact CD1-CB 3.42Å; L386-H474 VanDerWaalsContact CD1-CB 3.42Å; L386-H474 HydrophobicContact CD2-CB 3.81Å; L386-H474 HydrophobicContact CG-CB 4.29Å |
| 387 | F | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.8 | 171.1 | -165.8 | -102.8 | 0 | 0 | 0 | 110.2 | P167 V410 I411 K412 W418 L472 F473 H474 | P167-F387 HydrophobicContact CB-CD2 4.37Å; P167-F387 HydrophobicContact CB-CE2 3.68Å; P167-F387 HydrophobicContact CG-CE2 3.83Å; P167-F387 HydrophobicContact CG-CZ 4.48Å; F387-V410 WeakPolarHBondContact CE1-O 3.14Å; F387-I411 HydrophobicContact CB-CG1 4.41Å; F387-I411 HydrophobicContact CD1-CG1 4.3Å; F387-I411 HydrophobicContact CD2-CB 4.43Å; F387-I411 HydrophobicContact CD2-CG1 4.24Å; F387-I411 HydrophobicContact CD2-CG2 3.82Å; F387-I411 HydrophobicContact CE2-CB 4.38Å; F387-I411 HydrophobicContact CE2-CG2 3.73Å; F387-I411 HydrophobicContact CG-CG1 4.05Å; F387-I411 HydrophobicContact CG-CG2 4.46Å; F387-I411 HydrophobicContact CZ-CG2 4.28Å; F387-K412 WeakPolarHBondContact CZ-O 3.38Å; F387-W418 HydrophobicContact CB-CE3 3.97Å; F387-W418 HydrophobicContact CB-CH2 4.16Å; F387-W418 HydrophobicContact CB-CZ3 3.66Å; F387-W418 HydrophobicContact CD2-CD2 4.02Å; F387-W418 HydrophobicContact CD2-CE3 4.08Å; F387-W418 HydrophobicContact CD2-CH2 4.39Å; F387-W418 HydrophobicContact CD2-CZ2 4.34Å; F387-W418 HydrophobicContact CD2-CZ3 4.27Å; F387-W418 HydrophobicContact CG-CZ3 4.47Å; F387-L472 PolarHBondContact N-O 2.89Å; F387-F473 HydrophobicContact CB-CD1 3.98Å; F387-F473 HydrophobicContact CB-CE1 4.14Å; F387-F473 AromaticContact CD1-CD1 3.81Å; F387-F473 HydrophobicContact CD1-CD1 3.81Å; F387-F473 AromaticContact CD1-CE1 3.78Å; F387-F473 HydrophobicContact CD1-CE1 3.78Å; F387-F473 HydrophobicContact CG-CD1 4.35Å; F387-F473 HydrophobicContact CG-CE1 4.28Å; F387-F473 CarbonylContact O-C 3.58Å; F387-F473 VanDerWaalsContact O-CA 3.28Å; F387-F473 WeakPolarHBondContact O-CA 3.3Å; F387-H474 PolarHBondContact O-N 3.18Å |
| 388 | S | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.2 | 176.5 | -70.1 | 0 | 0 | 0 | 0 | 110.8 | L386 G416 F417 R419 | L386-S388 WeakPolarHBondContact CD1-OG 3.32Å; S388-G416 CarbonylContact O-C 3.54Å; S388-G416 WeakPolarHBondContact O-CA 3.47Å; S388-F417 PolarHBondContact N-O 2.78Å; S388-F417 PolarHBondContact O-N 3.5Å; S388-R419 VanDerWaalsContact OG-CZ 3.24Å; S388-R419 PolarHBondContact OG-NE 3.1Å; S388-R419 PolarHBondContact OG-NH2 3.32Å |
| 389 | Q | 96.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 146.2 | 175.9 | -70.5 | 177.7 | -42.6 | 0 | 0 | 111.2 | Q408 T415 F473 H474 W476 | Q389-Q408 VanDerWaalsContact NE2-C 3.29Å; Q389-Q408 PolarHBondContact NE2-O 3.41Å; Q389-T415 WeakPolarHBondContact CA-O 3.5Å; Q389-F473 HydrophobicContact CG-CD1 4.45Å; Q389-H474 PolarHBondContact N-O 3.45Å; Q389-H474 VanDerWaalsContact N-O 3.09Å; Q389-W476 HydrophobicContact CB-CB 4.49Å |
| 390 | Y | 96.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 173.2 | 170 | -67.2 | -44.1 | 0 | 0 | 0 | 112.4 | P392 I395 K413 T415 G416 F417 W476 M499 N500 S503 | Y390-P392 VanDerWaalsContact O-CD 3.24Å; Y390-P392 WeakPolarHBondContact O-CD 3.44Å; Y390-P392 VanDerWaalsContact O-N 3.15Å; Y390-I395 HydrophobicContact CD2-CD1 3.83Å; Y390-I395 HydrophobicContact CD2-CG1 4.42Å; Y390-I395 HydrophobicContact CG-CD1 4.09Å; Y390-I395 HydrophobicContact CG-CG1 4.47Å; Y390-K413 WeakPolarHBondContact CE2-O 3.26Å; Y390-T415 VanDerWaalsContact CD2-C 3.45Å; Y390-T415 PolarHBondContact N-O 3.33Å; Y390-G416 VanDerWaalsContact CD2-N 3.31Å; Y390-G416 VanDerWaalsContact CE2-CA 3.46Å; Y390-G416 PolarHBondContact OH-O 2.82Å; Y390-F417 HydrophobicContact CD1-CD1 4.2Å; Y390-F417 HydrophobicContact CD1-CE1 4.34Å; Y390-F417 AromaticContact CE1-CD1 3.42Å; Y390-F417 HydrophobicContact CE1-CD1 3.42Å; Y390-F417 VanDerWaalsContact CE1-CD1 3.42Å; Y390-F417 AromaticContact CE1-CE1 3.85Å; Y390-F417 HydrophobicContact CE1-CE1 3.85Å; Y390-F417 AromaticContact CZ-CD1 3.9Å; Y390-W476 VanDerWaalsContact O-CB 3.31Å; Y390-W476 WeakPolarHBondContact O-CB 3.45Å; Y390-M499 WeakPolarHBondContact CE1-O 3.49Å; Y390-N500 CarbonylContact C-O 3.52Å; Y390-N500 WeakPolarHBondContact CA-O 3.46Å; Y390-S503 VanDerWaalsContact CE2-N 3.26Å |
| 391 | N | 95.4 | Very high | 91 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.128 | 23% | 0.23 | C | C | . | . | trans | -62.4 | 110.7 | 177.6 | -175.5 | -18.5 | 0 | 0 | 0 | 110.9 | G393 I394 I395 W476 N500 E501 | N391-G393 PolarHBondContact O-N 2.93Å; N391-G393 VanDerWaalsContact O-N 3.15Å; N391-G393 PolarHBondContact OD1-N 2.94Å; N391-I394 HydrophobicContact CB-CB 4.29Å; N391-I394 HydrophobicContact CB-CD1 4.1Å; N391-I394 HydrophobicContact CB-CG1 4.12Å; N391-I394 PolarHBondContact O-N 2.89Å; N391-I395 WeakPolarHBondContact O-CG1 3.49Å; N391-I395 PolarHBondContact O-N 3.37Å; N391-W476 VanDerWaalsContact CA-CD1 3.48Å; N391-W476 HydrophobicContact CB-CD2 4.07Å; N391-W476 HydrophobicContact CB-CG 4.33Å; N391-W476 HydrophobicContact CB-CZ2 3.82Å; N391-W476 VanDerWaalsContact N-CD1 3.3Å; N391-W476 WeakPolarHBondContact ND2-CZ2 3.44Å; N391-N500 PolarHBondContact N-O 3.48Å; N391-E501 VanDerWaalsContact CB-O 3.28Å; N391-E501 WeakPolarHBondContact CB-O 3.38Å; N391-E501 WeakPolarHBondContact CB-OE2 3.42Å; N391-E501 PolarHBondContact N-O 3.44Å; N391-E501 VanDerWaalsContact N-O 3.1Å; N391-E501 PolarHBondContact ND2-OE2 2.96Å | ||
| 392 | P | 93.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 16% | 0.156 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.3 | -26.7 | -176.5 | 26 | -34.2 | 0 | 0 | 0 | 112.4 | Y390 I394 Y396 V402 W476 | Y390-P392 VanDerWaalsContact O-CD 3.24Å; Y390-P392 WeakPolarHBondContact O-CD 3.44Å; Y390-P392 VanDerWaalsContact O-N 3.15Å; P392-I394 PolarHBondContact O-N 3.16Å; P392-Y396 HydrophobicContact CB-CD2 3.83Å; P392-Y396 HydrophobicContact CB-CE2 4.17Å; P392-Y396 WeakPolarHBondContact O-CB 3.5Å; P392-Y396 WeakPolarHBondContact O-CD2 3.45Å; P392-Y396 PolarHBondContact O-N 2.95Å; P392-V402 HydrophobicContact CB-CG1 3.78Å; P392-V402 HydrophobicContact CB-CG2 4.41Å; P392-W476 HydrophobicContact CG-CE3 4.36Å |
| 393 | G | 91.6 | Very high | 90.3 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.9 | -26.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N391 G397 | N391-G393 PolarHBondContact O-N 2.93Å; N391-G393 VanDerWaalsContact O-N 3.15Å; N391-G393 PolarHBondContact OD1-N 2.94Å; G393-G397 VanDerWaalsContact O-CA 3.24Å; G393-G397 WeakPolarHBondContact O-CA 3.37Å; G393-G397 PolarHBondContact O-N 3.26Å |
| 394 | I | 91.3 | Very high | 90 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -86.5 | -50.6 | 173.8 | -62.4 | 178.5 | 0 | 0 | 0 | 110.3 | N391 P392 Y396 G397 E501 A502 L510 | N391-I394 HydrophobicContact CB-CB 4.29Å; N391-I394 HydrophobicContact CB-CD1 4.1Å; N391-I394 HydrophobicContact CB-CG1 4.12Å; N391-I394 PolarHBondContact O-N 2.89Å; P392-I394 PolarHBondContact O-N 3.16Å; I394-Y396 VanDerWaalsContact C-N 3.31Å; I394-Y396 PolarHBondContact O-N 2.97Å; I394-G397 PolarHBondContact O-N 2.96Å; I394-E501 HydrophobicContact CD1-CB 3.91Å; I394-E501 WeakPolarHBondContact CD1-OE2 3.3Å; I394-A502 HydrophobicContact CG2-CB 3.74Å; I394-L510 HydrophobicContact CG2-CD1 3.87Å |
| 395 | I | 92.1 | Very high | 89.6 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | -173.7 | -54.2 | -50.9 | 0 | 0 | 0 | 111.8 | Y390 N391 E414 A502 Q506 | Y390-I395 HydrophobicContact CD2-CD1 3.83Å; Y390-I395 HydrophobicContact CD2-CG1 4.42Å; Y390-I395 HydrophobicContact CG-CD1 4.09Å; Y390-I395 HydrophobicContact CG-CG1 4.47Å; N391-I395 WeakPolarHBondContact O-CG1 3.49Å; N391-I395 PolarHBondContact O-N 3.37Å; I395-E414 WeakPolarHBondContact CD1-O 3.34Å; I395-E414 WeakPolarHBondContact CG2-O 3.33Å; I395-A502 HydrophobicContact CD1-CB 3.64Å; I395-Q506 VanDerWaalsContact CD1-NE2 3.31Å |
| 396 | Y | 88.7 | Confident | 89.3 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 13% | 0.125 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 7.7 | -178.9 | -53.7 | -72.2 | 0 | 0 | 0 | 113.6 | P392 I394 H398 H399 V402 P403 Q408 | P392-Y396 HydrophobicContact CB-CD2 3.83Å; P392-Y396 HydrophobicContact CB-CE2 4.17Å; P392-Y396 WeakPolarHBondContact O-CB 3.5Å; P392-Y396 WeakPolarHBondContact O-CD2 3.45Å; P392-Y396 PolarHBondContact O-N 2.95Å; I394-Y396 VanDerWaalsContact C-N 3.31Å; I394-Y396 PolarHBondContact O-N 2.97Å; Y396-H398 PolarHBondContact O-N 3.23Å; Y396-H399 AromaticContact CD1-CD2 3.94Å; Y396-H399 WeakPolarHBondContact O-CB 3.39Å; Y396-H399 PolarHBondContact O-N 2.92Å; Y396-V402 HydrophobicContact CD2-CG1 4.19Å; Y396-P403 HydrophobicContact CD1-CG 3.76Å; Y396-P403 HydrophobicContact CE1-CG 3.8Å; Y396-P403 VanDerWaalsContact CG-CD 3.43Å; Y396-P403 HydrophobicContact CG-CG 4.13Å; Y396-Q408 HydrophobicContact CE2-CG 3.84Å |
| 397 | G | 78.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G393 I394 | G393-G397 VanDerWaalsContact O-CA 3.24Å; G393-G397 WeakPolarHBondContact O-CA 3.37Å; G393-G397 PolarHBondContact O-N 3.26Å; I394-G397 PolarHBondContact O-N 2.96Å |
| 398 | H | 73.1 | Confident | 88.9 | Confident | 162 Ų | 162 | 61.9 Ų | 61.9 | 75% | 0.75 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -6.5 | 172.4 | -62.9 | -60.7 | 0 | 0 | 0 | 113.9 | Y396 | Y396-H398 PolarHBondContact O-N 3.23Š|
| 399 | H | 71.7 | Confident | 88.8 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 57% | 0.569 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -94.9 | 158.7 | 175.2 | -62.5 | -73.5 | 0 | 0 | 0 | 110.9 | Y396 A401 | Y396-H399 AromaticContact CD1-CD2 3.94Å; Y396-H399 WeakPolarHBondContact O-CB 3.39Å; Y396-H399 PolarHBondContact O-N 2.92Å; H399-A401 PolarHBondContact O-N 3.09Å |
| 400 | D | 77.5 | Confident | 88.6 | Confident | 182 Ų | 182 | 65.4 Ų | 65.4 | 97% | 0.973 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -63.2 | -24.4 | 177.2 | -60.6 | -40.2 | 0 | 0 | 0 | 112.5 | ||
| 401 | A | 85.2 | Confident | 88.5 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -153.5 | 154.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H399 | H399-A401 PolarHBondContact O-N 3.09Š|
| 402 | V | 89.2 | Confident | 88.3 | Confident | 70 Ų | 70 | 69 Ų | 69 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 129.1 | 167.1 | 174.2 | 0 | 0 | 0 | 0 | 108.7 | P392 Y396 | P392-V402 HydrophobicContact CB-CG1 3.78Å; P392-V402 HydrophobicContact CB-CG2 4.41Å; Y396-V402 HydrophobicContact CD2-CG1 4.19Å |
| 403 | P | 91.4 | Very high | 88.2 | Confident | 28 Ų | 28 | 71 Ų | 71 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 158.5 | 178.8 | -24.5 | 34.2 | 0 | 0 | 0 | 113.1 | Y396 Q407 Q408 | Y396-P403 HydrophobicContact CD1-CG 3.76Å; Y396-P403 HydrophobicContact CE1-CG 3.8Å; Y396-P403 VanDerWaalsContact CG-CD 3.43Å; Y396-P403 HydrophobicContact CG-CG 4.13Å; P403-Q407 HydrophobicContact CB-CB 4.04Å; P403-Q408 HydrophobicContact CB-CG 4.37Å; P403-Q408 PolarHBondContact O-NE2 3.24Å |
| 404 | P | 92 | Very high | 88.1 | Confident | 72 Ų | 72 | 72.8 Ų | 72.8 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 154.1 | 168.9 | -23.5 | 34.1 | 0 | 0 | 0 | 112.4 | E406 Q407 Q408 | P404-E406 VanDerWaalsContact C-N 3.25Å; P404-E406 WeakPolarHBondContact CB-OE2 3.48Å; P404-E406 PolarHBondContact O-N 3.21Å; P404-Q407 PolarHBondContact O-N 2.68Å; P404-Q408 PolarHBondContact O-N 3.11Å |
| 405 | L | 90.7 | Very high | 88.3 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -53.4 | -43.5 | -173.7 | 174.5 | 61.9 | 0 | 0 | 0 | 112.1 | Y362 Q407 Q408 L409 L475 | Y362-L405 HydrophobicContact CD2-CD2 3.99Å; Y362-L405 HydrophobicContact CE2-CD2 4.28Å; L405-Q407 PolarHBondContact O-N 3.15Å; L405-Q407 VanDerWaalsContact O-N 3.16Å; L405-Q408 WeakPolarHBondContact O-CA 3.33Å; L405-Q408 WeakPolarHBondContact O-CB 3.42Å; L405-Q408 PolarHBondContact O-N 3.39Å; L405-L409 HydrophobicContact CD1-CD2 4.16Å; L405-L409 HydrophobicContact CD1-CG 4.43Å; L405-L409 HydrophobicContact CG-CG 4.46Å; L405-L409 WeakPolarHBondContact O-CG 3.38Å; L405-L409 PolarHBondContact O-N 3.45Å; L405-L475 HydrophobicContact CD1-CD1 4.16Å; L405-L475 HydrophobicContact CD1-CD2 3.64Å; L405-L475 HydrophobicContact CD2-CD1 4.16Å |
| 406 | E | 90.6 | Very high | 88.4 | Confident | 128 Ų | 128 | 70.5 Ų | 70.5 | 60% | 0.598 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.6 | -32.2 | -175.9 | -58.3 | 70 | -148.4 | 0 | 0 | 111.7 | P404 | P404-E406 VanDerWaalsContact C-N 3.25Å; P404-E406 WeakPolarHBondContact CB-OE2 3.48Å; P404-E406 PolarHBondContact O-N 3.21Å |
| 407 | Q | 92.2 | Very high | 88.7 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -81.9 | -17.8 | 176.8 | -60.4 | -178.8 | 12.4 | 0 | 0 | 112.8 | P403 P404 L405 V410 | P403-Q407 HydrophobicContact CB-CB 4.04Å; P404-Q407 PolarHBondContact O-N 2.68Å; L405-Q407 PolarHBondContact O-N 3.15Å; L405-Q407 VanDerWaalsContact O-N 3.16Å; Q407-V410 WeakPolarHBondContact O-CG2 3.22Å |
| 408 | Q | 93.3 | Very high | 89.5 | Confident | 23 Ų | 23 | 68.7 Ų | 68.7 | 11% | 0.107 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -84.8 | -18.4 | 175.7 | -57.7 | -179.4 | 44.1 | 0 | 0 | 112.8 | Q389 Y396 P403 P404 L405 V410 | Q389-Q408 VanDerWaalsContact NE2-C 3.29Å; Q389-Q408 PolarHBondContact NE2-O 3.41Å; Y396-Q408 HydrophobicContact CE2-CG 3.84Å; P403-Q408 HydrophobicContact CB-CG 4.37Å; P403-Q408 PolarHBondContact O-NE2 3.24Å; P404-Q408 PolarHBondContact O-N 3.11Å; L405-Q408 WeakPolarHBondContact O-CA 3.33Å; L405-Q408 WeakPolarHBondContact O-CB 3.42Å; L405-Q408 PolarHBondContact O-N 3.39Å; Q408-V410 PolarHBondContact O-N 3.09Å |
| 409 | L | 94.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | trans | -73.7 | 57 | -178.9 | -62.5 | 173.8 | 0 | 0 | 0 | 112.4 | Y362 L405 F473 L475 | Y362-L409 HydrophobicContact CD1-CD1 3.78Å; Y362-L409 HydrophobicContact CD1-CD2 3.85Å; Y362-L409 HydrophobicContact CD1-CG 4.47Å; Y362-L409 HydrophobicContact CD2-CD1 4.23Å; Y362-L409 HydrophobicContact CE1-CD1 3.33Å; Y362-L409 HydrophobicContact CE1-CD2 4.28Å; Y362-L409 HydrophobicContact CE1-CG 4.43Å; Y362-L409 HydrophobicContact CE2-CD1 3.79Å; Y362-L409 HydrophobicContact CG-CD1 4.22Å; Y362-L409 HydrophobicContact CG-CD2 4.01Å; L405-L409 HydrophobicContact CD1-CD2 4.16Å; L405-L409 HydrophobicContact CD1-CG 4.43Å; L405-L409 HydrophobicContact CG-CG 4.46Å; L405-L409 WeakPolarHBondContact O-CG 3.38Å; L405-L409 PolarHBondContact O-N 3.45Å; L409-F473 HydrophobicContact CB-CE1 4.46Å; L409-F473 HydrophobicContact CB-CE2 4.37Å; L409-F473 HydrophobicContact CB-CZ 4.24Å; L409-F473 HydrophobicContact CD2-CB 4.08Å; L409-F473 HydrophobicContact CD2-CD1 4.12Å; L409-F473 HydrophobicContact CD2-CD2 3.94Å; L409-F473 HydrophobicContact CD2-CE2 4.42Å; L409-F473 HydrophobicContact CD2-CG 3.78Å; L409-L475 HydrophobicContact CD2-CD2 4.17Å | ||
| 410 | V | 92.8 | Very high | 91.3 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | trans | -122.6 | 131.1 | -175.3 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | F387 Q407 Q408 K412 T415 | F387-V410 WeakPolarHBondContact CE1-O 3.14Å; Q407-V410 WeakPolarHBondContact O-CG2 3.22Å; Q408-V410 PolarHBondContact O-N 3.09Å; V410-K412 HydrophobicContact CG1-CB 4.5Å; V410-K412 HydrophobicContact CG1-CD 3.7Å; V410-K412 HydrophobicContact CG1-CG 3.8Å; V410-K412 PolarHBondContact O-N 3.03Å; V410-T415 PolarHBondContact O-OG1 2.84Å | ||
| 411 | I | 93.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | trans | -90.7 | 96.7 | 179.2 | -61.4 | 165.3 | 0 | 0 | 0 | 108.5 | Y157 P167 E168 F387 W418 R470 F473 | Y157-I411 HydrophobicContact CE1-CD1 4.06Å; P167-I411 HydrophobicContact CB-CG2 3.86Å; E168-I411 HydrophobicContact CB-CB 4.37Å; E168-I411 HydrophobicContact CB-CG2 3.75Å; F387-I411 HydrophobicContact CB-CG1 4.41Å; F387-I411 HydrophobicContact CD1-CG1 4.3Å; F387-I411 HydrophobicContact CD2-CB 4.43Å; F387-I411 HydrophobicContact CD2-CG1 4.24Å; F387-I411 HydrophobicContact CD2-CG2 3.82Å; F387-I411 HydrophobicContact CE2-CB 4.38Å; F387-I411 HydrophobicContact CE2-CG2 3.73Å; F387-I411 HydrophobicContact CG-CG1 4.05Å; F387-I411 HydrophobicContact CG-CG2 4.46Å; F387-I411 HydrophobicContact CZ-CG2 4.28Å; I411-W418 HydrophobicContact CD1-CH2 3.76Å; I411-W418 HydrophobicContact CD1-CZ2 4.04Å; I411-W418 HydrophobicContact CG1-CH2 4.41Å; I411-W418 HydrophobicContact CG2-CH2 4.39Å; I411-W418 HydrophobicContact CG2-CZ2 3.74Å; I411-R470 HydrophobicContact CD1-CB 3.8Å; I411-F473 HydrophobicContact CD1-CZ 4.16Å; I411-F473 HydrophobicContact CG1-CE1 3.87Å; I411-F473 HydrophobicContact CG1-CZ 3.84Å | ||
| 412 | K | 91.8 | Very high | 91.9 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | trans | -143.3 | 156.2 | 178 | -78 | 177.2 | -175.3 | 179.4 | 0 | 110.4 | F387 V410 E414 T415 G416 | F387-K412 WeakPolarHBondContact CZ-O 3.38Å; V410-K412 HydrophobicContact CG1-CB 4.5Å; V410-K412 HydrophobicContact CG1-CD 3.7Å; V410-K412 HydrophobicContact CG1-CG 3.8Å; V410-K412 PolarHBondContact O-N 3.03Å; K412-E414 PolarHBondContact O-N 3.16Å; K412-E414 VanDerWaalsContact O-N 3.15Å; K412-T415 HydrophobicContact CB-CG2 4.26Å; K412-T415 PolarHBondContact N-OG1 2.74Å; K412-T415 VanDerWaalsContact N-OG1 3.14Å; K412-T415 PolarHBondContact O-N 3.21Å; K412-T415 VanDerWaalsContact O-N 3.11Å; K412-T415 PolarHBondContact O-OG1 3.22Å; K412-T415 VanDerWaalsContact O-OG1 3.09Å; K412-G416 PolarHBondContact O-N 2.87Å | ||
| 413 | K | 90.9 | Very high | 92.1 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.5 | 178.1 | 178.5 | 179.1 | -178.7 | 171.5 | 0 | 112.5 | T164 R165 Y390 S503 | T164-K413 PolarHBondContact O-NZ 3.05Å; R165-K413 HydrophobicContact CB-CD 4.49Å; R165-K413 WeakPolarHBondContact O-CD 3.29Å; R165-K413 WeakPolarHBondContact O-CG 3.39Å; Y390-K413 WeakPolarHBondContact CE2-O 3.26Å; K413-S503 WeakPolarHBondContact O-CB 3.37Å |
| 414 | E | 90.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.4 | -177.3 | -57.4 | 70.7 | -149 | 0 | 0 | 113 | I395 K412 Q506 | I395-E414 WeakPolarHBondContact CD1-O 3.34Å; I395-E414 WeakPolarHBondContact CG2-O 3.33Å; K412-E414 PolarHBondContact O-N 3.16Å; K412-E414 VanDerWaalsContact O-N 3.15Å; E414-Q506 PolarHBondContact O-NE2 3.35Å; E414-Q506 PolarHBondContact O-OE1 3.3Å |
| 415 | T | 93.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -16.9 | -175.2 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | Q389 Y390 V410 K412 | Q389-T415 WeakPolarHBondContact CA-O 3.5Å; Y390-T415 VanDerWaalsContact CD2-C 3.45Å; Y390-T415 PolarHBondContact N-O 3.33Å; V410-T415 PolarHBondContact O-OG1 2.84Å; K412-T415 HydrophobicContact CB-CG2 4.26Å; K412-T415 PolarHBondContact N-OG1 2.74Å; K412-T415 VanDerWaalsContact N-OG1 3.14Å; K412-T415 PolarHBondContact O-N 3.21Å; K412-T415 VanDerWaalsContact O-N 3.11Å; K412-T415 PolarHBondContact O-OG1 3.22Å; K412-T415 VanDerWaalsContact O-OG1 3.09Å |
| 416 | G | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | -158.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | S388 Y390 K412 | S388-G416 CarbonylContact O-C 3.54Å; S388-G416 WeakPolarHBondContact O-CA 3.47Å; Y390-G416 VanDerWaalsContact CD2-N 3.31Å; Y390-G416 VanDerWaalsContact CE2-CA 3.46Å; Y390-G416 PolarHBondContact OH-O 2.82Å; K412-G416 PolarHBondContact O-N 2.87Å |
| 417 | F | 94.5 | Very high | 93.1 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 158.4 | 178.8 | 63.9 | -80 | 0 | 0 | 0 | 111.6 | S388 Y390 R419 F421 M499 N500 | S388-F417 PolarHBondContact N-O 2.78Å; S388-F417 PolarHBondContact O-N 3.5Å; Y390-F417 HydrophobicContact CD1-CD1 4.2Å; Y390-F417 HydrophobicContact CD1-CE1 4.34Å; Y390-F417 AromaticContact CE1-CD1 3.42Å; Y390-F417 HydrophobicContact CE1-CD1 3.42Å; Y390-F417 VanDerWaalsContact CE1-CD1 3.42Å; Y390-F417 AromaticContact CE1-CE1 3.85Å; Y390-F417 HydrophobicContact CE1-CE1 3.85Å; Y390-F417 AromaticContact CZ-CD1 3.9Å; F417-R419 HydrophobicContact CE2-CB 4.28Å; F417-R419 HydrophobicContact CE2-CG 4.48Å; F417-R419 PolarHBondContact O-N 2.79Å; F417-F421 AromaticContact CE2-CE1 3.64Å; F417-F421 HydrophobicContact CE2-CE1 3.64Å; F417-F421 AromaticContact CE2-CZ 3.99Å; F417-F421 HydrophobicContact CE2-CZ 3.99Å; F417-F421 HydrophobicContact CZ-CE1 4.34Å; F417-F421 HydrophobicContact CZ-CZ 4.3Å; F417-M499 VanDerWaalsContact CE1-O 3.29Å; F417-M499 WeakPolarHBondContact CE1-O 3.28Å; F417-M499 HydrophobicContact CZ-CB 4.36Å; F417-N500 WeakPolarHBondContact CE1-OD1 3.24Å; F417-N500 WeakPolarHBondContact CZ-OD1 3.27Å |
| 418 | W | 94.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 33 Ų | 33 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 122.8 | 169.7 | -66.6 | 122.4 | 0 | 0 | 0 | 110.5 | Y157 Q158 L159 P167 V385 F387 I411 D420 P468 V469 | Y157-W418 HydrophobicContact CD1-CH2 4.49Å; Y157-W418 AromaticContact CD1-CZ2 3.68Å; Y157-W418 HydrophobicContact CD1-CZ2 3.68Å; Y157-W418 HydrophobicContact CE1-CZ2 4.48Å; Y157-W418 HydrophobicContact CG-CZ2 4.15Å; Q158-W418 VanDerWaalsContact O-CD1 3.23Å; L159-W418 HydrophobicContact CD2-CB 3.74Å; L159-W418 HydrophobicContact CD2-CG 4.19Å; P167-W418 HydrophobicContact CB-CG 4.46Å; P167-W418 PolarHBondContact O-NE1 2.87Å; V385-W418 HydrophobicContact CG1-CB 4.1Å; V385-W418 HydrophobicContact CG1-CE3 4.49Å; V385-W418 WeakPolarHBondContact O-CZ3 3.17Å; F387-W418 HydrophobicContact CB-CE3 3.97Å; F387-W418 HydrophobicContact CB-CH2 4.16Å; F387-W418 HydrophobicContact CB-CZ3 3.66Å; F387-W418 HydrophobicContact CD2-CD2 4.02Å; F387-W418 HydrophobicContact CD2-CE3 4.08Å; F387-W418 HydrophobicContact CD2-CH2 4.39Å; F387-W418 HydrophobicContact CD2-CZ2 4.34Å; F387-W418 HydrophobicContact CD2-CZ3 4.27Å; F387-W418 HydrophobicContact CG-CZ3 4.47Å; I411-W418 HydrophobicContact CD1-CH2 3.76Å; I411-W418 HydrophobicContact CD1-CZ2 4.04Å; I411-W418 HydrophobicContact CG1-CH2 4.41Å; I411-W418 HydrophobicContact CG2-CH2 4.39Å; I411-W418 HydrophobicContact CG2-CZ2 3.74Å; W418-D420 VanDerWaalsContact C-N 3.28Å; W418-D420 PolarHBondContact O-N 3.14Å; W418-P468 HydrophobicContact CD2-CB 3.89Å; W418-P468 HydrophobicContact CE3-CB 4.02Å; W418-P468 HydrophobicContact CH2-CB 4.09Å; W418-P468 HydrophobicContact CZ2-CB 3.94Å; W418-P468 HydrophobicContact CZ3-CB 4.11Å; W418-V469 WeakPolarHBondContact CZ3-O 3.27Å |
| 419 | R | 93.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 9% | 0.087 | 16% | 0.162 | C | C | . | . | trans | -82.9 | 71.4 | -179.5 | -170 | -175 | -69 | -83.6 | -5.6 | 111.3 | L386 S388 F417 F421 G422 N500 | L386-R419 HydrophobicContact CD1-CB 3.81Å; L386-R419 PolarHBondContact O-N 2.83Å; S388-R419 VanDerWaalsContact OG-CZ 3.24Å; S388-R419 PolarHBondContact OG-NE 3.1Å; S388-R419 PolarHBondContact OG-NH2 3.32Å; F417-R419 HydrophobicContact CE2-CB 4.28Å; F417-R419 HydrophobicContact CE2-CG 4.48Å; F417-R419 PolarHBondContact O-N 2.79Å; R419-F421 HydrophobicContact CG-CD1 4.3Å; R419-F421 HydrophobicContact CG-CD2 4.17Å; R419-F421 HydrophobicContact CG-CE1 3.95Å; R419-F421 HydrophobicContact CG-CE2 3.81Å; R419-F421 HydrophobicContact CG-CG 4.4Å; R419-F421 HydrophobicContact CG-CZ 3.68Å; R419-F421 VanDerWaalsContact NH1-CE2 3.29Å; R419-F421 PolarHBondContact O-N 2.83Å; R419-G422 PolarHBondContact O-N 2.55Å; R419-G422 VanDerWaalsContact O-N 3.13Å; R419-N500 PolarHBondContact NH2-ND2 3.4Å; R419-N500 PolarHBondContact NH2-OD1 2.92Å | ||
| 420 | D | 89.8 | Confident | 93.8 | Very high | 82 Ų | 82 | 34.5 Ų | 34.5 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.2 | -179.1 | 66.1 | -11.8 | 0 | 0 | 0 | 114.8 | L159 W418 R466 | L159-D420 HydrophobicContact CD1-CB 4.46Å; L159-D420 HydrophobicContact CD2-CB 4.11Å; W418-D420 VanDerWaalsContact C-N 3.28Å; W418-D420 PolarHBondContact O-N 3.14Å; D420-R466 PolarHBondContact O-NH2 3.25Å |
| 421 | F | 87.3 | Confident | 94.1 | Very high | 85 Ų | 85 | 33.6 Ų | 33.6 | 37% | 0.373 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -2 | 172.9 | 61.5 | -93.6 | 0 | 0 | 0 | 114.2 | F417 R419 F423 M499 | F417-F421 AromaticContact CE2-CE1 3.64Å; F417-F421 HydrophobicContact CE2-CE1 3.64Å; F417-F421 AromaticContact CE2-CZ 3.99Å; F417-F421 HydrophobicContact CE2-CZ 3.99Å; F417-F421 HydrophobicContact CZ-CE1 4.34Å; F417-F421 HydrophobicContact CZ-CZ 4.3Å; R419-F421 HydrophobicContact CG-CD1 4.3Å; R419-F421 HydrophobicContact CG-CD2 4.17Å; R419-F421 HydrophobicContact CG-CE1 3.95Å; R419-F421 HydrophobicContact CG-CE2 3.81Å; R419-F421 HydrophobicContact CG-CG 4.4Å; R419-F421 HydrophobicContact CG-CZ 3.68Å; R419-F421 VanDerWaalsContact NH1-CE2 3.29Å; R419-F421 PolarHBondContact O-N 2.83Å; F421-F423 WeakPolarHBondContact O-CE2 3.48Å; F421-M499 HydrophobicContact CD1-CE 4.24Å; F421-M499 HydrophobicContact CE1-CE 3.35Å; F421-M499 HydrophobicContact CE1-SD 4.25Å; F421-M499 HydrophobicContact CE2-CE 3.98Å; F421-M499 HydrophobicContact CZ-CE 3.2Å |
| 422 | G | 88.2 | Confident | 94.3 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | trans | -95.8 | 134.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R419 R466 | R419-G422 PolarHBondContact O-N 2.55Å; R419-G422 VanDerWaalsContact O-N 3.13Å; G422-R466 PolarHBondContact O-NH1 3.38Å; G422-R466 PolarHBondContact O-NH2 3.43Å | ||
| 423 | F | 93 | Very high | 94.6 | Very high | 22 Ų | 22 | 28 Ų | 28 | 10% | 0.096 | 14% | 0.136 | C | C | . | . | trans | -123.6 | 6 | -179.2 | -59.3 | -84.8 | 0 | 0 | 0 | 113.9 | E142 Y383 F421 T426 D450 V451 Y454 | E142-F423 HydrophobicContact CB-CZ 4.19Å; E142-F423 HydrophobicContact CG-CZ 4.39Å; Y383-F423 HydrophobicContact CD1-CB 4.46Å; Y383-F423 HydrophobicContact CD1-CD1 4.35Å; Y383-F423 HydrophobicContact CE1-CB 4.29Å; Y383-F423 WeakPolarHBondContact CE1-O 3.35Å; F421-F423 WeakPolarHBondContact O-CE2 3.48Å; F423-T426 WeakPolarHBondContact O-CG2 3.48Å; F423-D450 HydrophobicContact CB-CB 3.85Å; F423-V451 HydrophobicContact CD2-CG2 3.78Å; F423-V451 HydrophobicContact CE2-CG2 4.17Å; F423-Y454 AromaticContact CD1-CD1 3.65Å; F423-Y454 HydrophobicContact CD1-CD1 3.65Å; F423-Y454 AromaticContact CD1-CD2 3.64Å; F423-Y454 HydrophobicContact CD1-CD2 3.64Å; F423-Y454 AromaticContact CD1-CE1 3.96Å; F423-Y454 HydrophobicContact CD1-CE1 3.96Å; F423-Y454 AromaticContact CD1-CE2 3.93Å; F423-Y454 HydrophobicContact CD1-CE2 3.93Å; F423-Y454 AromaticContact CD1-CG 3.47Å; F423-Y454 HydrophobicContact CD1-CG 3.47Å; F423-Y454 VanDerWaalsContact CD1-CG 3.47Å; F423-Y454 AromaticContact CE1-CD1 3.46Å; F423-Y454 HydrophobicContact CE1-CD1 3.46Å; F423-Y454 VanDerWaalsContact CE1-CD1 3.46Å; F423-Y454 HydrophobicContact CE1-CD2 4.06Å; F423-Y454 AromaticContact CE1-CE1 3.39Å; F423-Y454 HydrophobicContact CE1-CE1 3.39Å; F423-Y454 AromaticContact CE1-CE2 3.98Å; F423-Y454 HydrophobicContact CE1-CE2 3.98Å; F423-Y454 AromaticContact CE1-CG 3.81Å; F423-Y454 HydrophobicContact CE1-CG 3.81Å; F423-Y454 AromaticContact CE1-CZ 3.68Å; F423-Y454 HydrophobicContact CG-CD1 4.49Å; F423-Y454 HydrophobicContact CG-CG 4.25Å; F423-Y454 HydrophobicContact CZ-CD1 4.18Å; F423-Y454 HydrophobicContact CZ-CE1 4.16Å | ||
| 424 | G | 92.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | trans | -74.3 | -26.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R336 D450 | R336-G424 VanDerWaalsContact NH2-C 3.29Å; R336-G424 PolarHBondContact NH2-O 3.26Å; G424-D450 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 425 | M | 96.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 6% | 0.064 | 15% | 0.149 | C | C | . | . | trans | -96 | 118.7 | 179.8 | -74.6 | 62.1 | 50.6 | 0 | 0 | 108.6 | F355 F356 I361 P384 L386 | F355-M425 HydrophobicContact CE2-CB 4.24Å; F355-M425 HydrophobicContact CE2-CG 4.47Å; F356-M425 WeakPolarHBondContact O-CA 3.27Å; I361-M425 HydrophobicContact CD1-CG 4.27Å; I361-M425 HydrophobicContact CD1-SD 3.94Å; I361-M425 HydrophobicContact CG1-CG 4.12Å; I361-M425 HydrophobicContact CG1-SD 4.13Å; P384-M425 WeakPolarHBondContact CD-O 3.35Å; P384-M425 HydrophobicContact CG-CB 4.42Å; L386-M425 HydrophobicContact CD2-CE 3.26Å; L386-M425 HydrophobicContact CD2-CG 4.04Å; L386-M425 HydrophobicContact CD2-SD 3.92Å; L386-M425 HydrophobicContact CG-CE 4.02Å | ||
| 426 | T | 98.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 143.6 | -174.1 | 95.2 | 0 | 0 | 0 | 0 | 110.3 | F355 F356 F382 Y383 F423 Q428 | F355-T426 WeakPolarHBondContact CA-O 3.49Å; F355-T426 WeakPolarHBondContact CD2-O 3.44Å; F356-T426 PolarHBondContact N-O 3.04Å; F382-T426 CarbonylContact O-C 3.55Å; F382-T426 WeakPolarHBondContact O-CA 3.39Å; Y383-T426 HydrophobicContact CD1-CG2 3.78Å; Y383-T426 HydrophobicContact CE1-CG2 3.27Å; Y383-T426 HydrophobicContact CE2-CG2 4.48Å; F423-T426 WeakPolarHBondContact O-CG2 3.48Å; T426-Q428 PolarHBondContact OG1-NE2 3.41Å; T426-Q428 VanDerWaalsContact OG1-NE2 3.12Å; T426-Q428 PolarHBondContact OG1-OE1 3.26Å |
| 427 | C | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.3 | 168.3 | -70.5 | 0 | 0 | 0 | 0 | 109.5 | L353 L354 C371 T375 F382 | L353-C427 HydrophobicContact CD1-CB 4.27Å; L354-C427 VanDerWaalsContact O-CA 3.27Å; L354-C427 WeakPolarHBondContact O-CA 3.38Å; C371-C427 HydrophobicContact CB-CB 4.06Å; C371-C427 WeakPolarHBondContact CB-SG 3.29Å; C371-C427 WeakPolarHBondContact SG-CB 3.42Å; C371-C427 CovalentContact SG-SG 2.03Å; C371-C427 PolarHBondContact SG-SG 2.99Å; T375-C427 PolarHBondContact OG1-O 2.96Å; F382-C427 HydrophobicContact CB-CB 4.03Å; F382-C427 HydrophobicContact CD1-CB 3.97Å; F382-C427 HydrophobicContact CG-CB 4.49Å; F382-C427 PolarHBondContact N-O 3.44Å; F382-C427 PolarHBondContact O-N 3.38Å |
| 428 | Q | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 143.3 | -170.8 | 61.3 | -161.7 | -12 | 0 | 0 | 111.8 | L354 V381 T426 F433 Y457 | L354-Q428 WeakPolarHBondContact CA-O 3.36Å; L354-Q428 HydrophobicContact CB-CG 4.28Å; L354-Q428 WeakPolarHBondContact CB-O 3.48Å; L354-Q428 PolarHBondContact N-O 3.04Å; L354-Q428 PolarHBondContact O-N 3.36Å; V381-Q428 HydrophobicContact CG2-CB 3.72Å; T426-Q428 PolarHBondContact OG1-NE2 3.41Å; T426-Q428 VanDerWaalsContact OG1-NE2 3.12Å; T426-Q428 PolarHBondContact OG1-OE1 3.26Å; Q428-F433 HydrophobicContact CG-CB 4.44Å; Q428-Y457 PolarHBondContact OE1-OH 3.21Å |
| 429 | Y | 98.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 11% | 0.114 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140.8 | 173.2 | -81.9 | -85 | 0 | 0 | 0 | 110.7 | V352 L353 T375 P377 S431 D432 F433 | V352-Y429 WeakPolarHBondContact O-CA 3.27Å; L353-Y429 HydrophobicContact CB-CE1 4.24Å; L353-Y429 HydrophobicContact CD1-CD2 4.41Å; L353-Y429 HydrophobicContact CD1-CE2 4.35Å; T375-Y429 HydrophobicContact CG2-CD2 3.67Å; T375-Y429 HydrophobicContact CG2-CE2 3.9Å; P377-Y429 HydrophobicContact CB-CD1 4.37Å; P377-Y429 HydrophobicContact CB-CD2 3.99Å; P377-Y429 HydrophobicContact CB-CE2 4.46Å; P377-Y429 HydrophobicContact CB-CG 3.94Å; P377-Y429 HydrophobicContact CG-CD1 3.78Å; P377-Y429 HydrophobicContact CG-CD2 3.53Å; P377-Y429 HydrophobicContact CG-CE1 3.74Å; P377-Y429 HydrophobicContact CG-CE2 3.54Å; P377-Y429 HydrophobicContact CG-CG 3.66Å; P377-Y429 VanDerWaalsContact N-CD2 3.32Å; Y429-S431 PolarHBondContact O-N 3.38Å; Y429-D432 PolarHBondContact O-N 3.34Å; Y429-F433 PolarHBondContact O-N 2.96Å; Y429-F433 VanDerWaalsContact O-N 3.08Å |
| 430 | R | 98.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.8 | -40.8 | 177.2 | -175.9 | -174.9 | 175.6 | -79.5 | 5.5 | 111.7 | A344 R345 W347 N351 V352 L354 D432 F433 I434 | A344-R430 WeakPolarHBondContact O-CD 3.27Å; A344-R430 PolarHBondContact O-NE 2.9Å; R345-R430 PolarHBondContact O-NH2 2.94Å; W347-R430 PolarHBondContact O-NE 3Å; W347-R430 PolarHBondContact O-NH2 3.48Å; N351-R430 PolarHBondContact OD1-N 3.12Å; V352-R430 HydrophobicContact CG1-CB 4.13Å; V352-R430 PolarHBondContact O-N 2.93Å; L354-R430 HydrophobicContact CD1-CB 3.92Å; L354-R430 HydrophobicContact CD1-CG 4.22Å; L354-R430 HydrophobicContact CD2-CB 4.31Å; L354-R430 HydrophobicContact CG-CB 4.07Å; R430-D432 VanDerWaalsContact C-N 3.27Å; R430-D432 PolarHBondContact O-N 3.43Å; R430-F433 PolarHBondContact O-N 2.71Å; R430-I434 HydrophobicContact CG-CG1 4.3Å; R430-I434 VanDerWaalsContact O-CG1 3.24Å; R430-I434 WeakPolarHBondContact O-CG1 3.44Å; R430-I434 PolarHBondContact O-N 2.8Å |
| 431 | S | 98 | Very high | 95.3 | Very high | 31 Ų | 31 | 32.2 Ų | 32.2 | 22% | 0.217 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.2 | -47.7 | 175.2 | 56 | 0 | 0 | 0 | 0 | 112 | N351 Y429 I434 N435 | N351-S431 WeakPolarHBondContact ND2-CB 3.47Å; N351-S431 PolarHBondContact ND2-OG 3.02Å; N351-S431 PolarHBondContact OD1-N 2.88Å; N351-S431 PolarHBondContact OD1-OG 3.38Å; Y429-S431 PolarHBondContact O-N 3.38Å; S431-I434 PolarHBondContact O-N 3.41Å; S431-N435 WeakPolarHBondContact O-CB 3.36Å; S431-N435 PolarHBondContact O-N 3.32Å; S431-N435 PolarHBondContact O-ND2 3.27Å; S431-N435 PolarHBondContact O-OD1 3.42Å |
| 432 | D | 98.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.8 | -43.6 | -172.4 | -59.6 | -9.4 | 0 | 0 | 0 | 109.9 | P377 G378 Y429 R430 I434 N435 I436 Y457 L462 | P377-D432 WeakPolarHBondContact CA-OD2 3.3Å; G378-D432 VanDerWaalsContact N-CG 3.3Å; G378-D432 PolarHBondContact N-OD1 3.21Å; G378-D432 PolarHBondContact N-OD2 3.3Å; Y429-D432 PolarHBondContact O-N 3.34Å; R430-D432 VanDerWaalsContact C-N 3.27Å; R430-D432 PolarHBondContact O-N 3.43Å; D432-I434 VanDerWaalsContact C-N 3.32Å; D432-I434 PolarHBondContact O-N 3.34Å; D432-N435 PolarHBondContact O-N 2.82Å; D432-I436 WeakPolarHBondContact O-CG1 3.43Å; D432-I436 PolarHBondContact O-N 2.65Å; D432-Y457 HydrophobicContact CB-CE1 4.45Å; D432-L462 HydrophobicContact CB-CD1 3.89Å |
| 433 | F | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.3 | -43.8 | 173.6 | 175.5 | -101.6 | 0 | 0 | 0 | 112.5 | D341 A344 F356 Q428 Y429 R430 I436 G438 F439 L453 Y457 | D341-F433 HydrophobicContact CB-CZ 4.42Å; D341-F433 WeakPolarHBondContact OD1-CZ 3.4Å; A344-F433 HydrophobicContact CB-CD1 3.84Å; A344-F433 HydrophobicContact CB-CE1 3.64Å; A344-F433 HydrophobicContact CB-CZ 4.45Å; F356-F433 HydrophobicContact CE2-CD2 4.1Å; F356-F433 AromaticContact CE2-CE2 3.75Å; F356-F433 HydrophobicContact CE2-CE2 3.75Å; F356-F433 HydrophobicContact CE2-CZ 4.34Å; F356-F433 AromaticContact CZ-CD2 3.98Å; F356-F433 HydrophobicContact CZ-CD2 3.98Å; F356-F433 HydrophobicContact CZ-CE1 4.43Å; F356-F433 AromaticContact CZ-CE2 3.76Å; F356-F433 HydrophobicContact CZ-CE2 3.76Å; F356-F433 HydrophobicContact CZ-CG 4.41Å; F356-F433 HydrophobicContact CZ-CZ 4.01Å; Q428-F433 HydrophobicContact CG-CB 4.44Å; Y429-F433 PolarHBondContact O-N 2.96Å; Y429-F433 VanDerWaalsContact O-N 3.08Å; R430-F433 PolarHBondContact O-N 2.71Å; F433-I436 WeakPolarHBondContact O-CG1 3.46Å; F433-G438 VanDerWaalsContact CZ-CA 3.47Å; F433-G438 WeakPolarHBondContact O-CA 3.49Å; F433-G438 PolarHBondContact O-N 2.91Å; F433-F439 AromaticContact CE2-CD2 3.84Å; F433-F439 HydrophobicContact CE2-CD2 3.84Å; F433-F439 HydrophobicContact CE2-CE2 4.01Å; F433-F439 AromaticContact CZ-CD2 3.74Å; F433-F439 HydrophobicContact CZ-CD2 3.74Å; F433-F439 HydrophobicContact CZ-CE2 4.2Å; F433-L453 HydrophobicContact CD2-CD1 4.06Å; F433-L453 HydrophobicContact CD2-CD2 4.35Å; F433-L453 HydrophobicContact CE2-CD1 3.84Å; F433-L453 HydrophobicContact CE2-CD2 4.04Å; F433-Y457 VanDerWaalsContact CA-OH 3.31Å; F433-Y457 WeakPolarHBondContact CA-OH 3.45Å; F433-Y457 PolarHBondContact N-OH 2.86Å |
| 434 | I | 97.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 26% | 0.256 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.9 | -40.9 | 177.6 | -62.4 | -62.6 | 0 | 0 | 0 | 111.1 | R345 R430 S431 D432 I436 G437 | R345-I434 HydrophobicContact CG-CD1 3.73Å; R430-I434 HydrophobicContact CG-CG1 4.3Å; R430-I434 VanDerWaalsContact O-CG1 3.24Å; R430-I434 WeakPolarHBondContact O-CG1 3.44Å; R430-I434 PolarHBondContact O-N 2.8Å; S431-I434 PolarHBondContact O-N 3.41Å; D432-I434 VanDerWaalsContact C-N 3.32Å; D432-I434 PolarHBondContact O-N 3.34Å; I434-I436 VanDerWaalsContact C-N 3.33Å; I434-I436 PolarHBondContact O-N 3.35Å; I434-G437 WeakPolarHBondContact O-CA 3.44Å; I434-G437 PolarHBondContact O-N 2.66Å |
| 435 | N | 97.3 | Very high | 91.9 | Very high | 129 Ų | 129 | 47.4 Ų | 47.4 | 69% | 0.69 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | -177.6 | -72.5 | -16.5 | 0 | 0 | 0 | 113 | S431 D432 G437 | S431-N435 WeakPolarHBondContact O-CB 3.36Å; S431-N435 PolarHBondContact O-N 3.32Å; S431-N435 PolarHBondContact O-ND2 3.27Å; S431-N435 PolarHBondContact O-OD1 3.42Å; D432-N435 PolarHBondContact O-N 2.82Å; N435-G437 PolarHBondContact O-N 2.86Å |
| 436 | I | 96.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2.4 | 173.9 | 65.8 | 147.4 | 0 | 0 | 0 | 113.2 | D432 F433 I434 L453 K456 Y457 | D432-I436 WeakPolarHBondContact O-CG1 3.43Å; D432-I436 PolarHBondContact O-N 2.65Å; F433-I436 WeakPolarHBondContact O-CG1 3.46Å; I434-I436 VanDerWaalsContact C-N 3.33Å; I434-I436 PolarHBondContact O-N 3.35Å; I436-L453 HydrophobicContact CD1-CD1 3.56Å; I436-K456 HydrophobicContact CB-CB 4.45Å; I436-K456 HydrophobicContact CD1-CB 3.81Å; I436-Y457 HydrophobicContact CD1-CD1 3.89Å; I436-Y457 HydrophobicContact CD1-CD2 3.73Å; I436-Y457 HydrophobicContact CD1-CE1 3.61Å; I436-Y457 HydrophobicContact CD1-CE2 3.46Å; I436-Y457 VanDerWaalsContact CD1-CE2 3.46Å; I436-Y457 HydrophobicContact CD1-CG 3.95Å; I436-Y457 VanDerWaalsContact CD1-CZ 3.4Å; I436-Y457 HydrophobicContact CG1-CD1 4.49Å; I436-Y457 HydrophobicContact CG1-CE1 3.97Å; I436-Y457 HydrophobicContact CG2-CD1 4.05Å; I436-Y457 HydrophobicContact CG2-CE1 3.99Å |
| 437 | G | 96.1 | Very high | 89.1 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -2.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R345 I434 N435 | R345-G437 PolarHBondContact NH2-O 3.13Å; I434-G437 WeakPolarHBondContact O-CA 3.44Å; I434-G437 PolarHBondContact O-N 2.66Å; N435-G437 PolarHBondContact O-N 2.86Å |
| 438 | G | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | 67.9 | -155.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F433 K456 | F433-G438 VanDerWaalsContact CZ-CA 3.47Å; F433-G438 WeakPolarHBondContact O-CA 3.49Å; F433-G438 PolarHBondContact O-N 2.91Å; G438-K456 PolarHBondContact O-NZ 2.95Å | ||
| 439 | F | 95.6 | Very high | 87.9 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | trans | -69.7 | 148.8 | 177.9 | -77.1 | -78 | 0 | 0 | 0 | 111.8 | G337 L340 D341 F356 F433 L441 E449 L453 | G337-F439 WeakPolarHBondContact O-CD2 3.43Å; L340-F439 HydrophobicContact CB-CD2 4.28Å; L340-F439 HydrophobicContact CB-CE2 3.5Å; L340-F439 HydrophobicContact CB-CZ 4.17Å; L340-F439 HydrophobicContact CD1-CE2 3.98Å; L340-F439 HydrophobicContact CD1-CZ 3.76Å; L340-F439 HydrophobicContact CG-CE2 4.4Å; D341-F439 HydrophobicContact CB-CB 4.32Å; D341-F439 HydrophobicContact CB-CD2 4Å; F356-F439 AromaticContact CD2-CE2 3.94Å; F356-F439 HydrophobicContact CD2-CE2 3.94Å; F356-F439 AromaticContact CD2-CZ 3.99Å; F356-F439 HydrophobicContact CD2-CZ 3.99Å; F356-F439 HydrophobicContact CE2-CD2 4.37Å; F356-F439 AromaticContact CE2-CE2 3.32Å; F356-F439 HydrophobicContact CE2-CE2 3.32Å; F356-F439 AromaticContact CE2-CZ 3.78Å; F356-F439 HydrophobicContact CE2-CZ 3.78Å; F356-F439 HydrophobicContact CZ-CE2 4.08Å; F433-F439 AromaticContact CE2-CD2 3.84Å; F433-F439 HydrophobicContact CE2-CD2 3.84Å; F433-F439 HydrophobicContact CE2-CE2 4.01Å; F433-F439 AromaticContact CZ-CD2 3.74Å; F433-F439 HydrophobicContact CZ-CD2 3.74Å; F433-F439 HydrophobicContact CZ-CE2 4.2Å; F439-L441 HydrophobicContact CB-CD2 4.1Å; F439-L441 PolarHBondContact O-N 3.48Å; F439-E449 HydrophobicContact CD1-CB 4.28Å; F439-E449 HydrophobicContact CD1-CG 4.39Å; F439-E449 HydrophobicContact CE1-CB 4.49Å; F439-E449 HydrophobicContact CE1-CG 4.19Å; F439-L453 HydrophobicContact CD1-CB 4.2Å; F439-L453 HydrophobicContact CD1-CD2 4.31Å; F439-L453 HydrophobicContact CE1-CB 4.03Å; F439-L453 HydrophobicContact CE1-CD2 3.74Å; F439-L453 HydrophobicContact CE1-CG 4.44Å; F439-L453 HydrophobicContact CE2-CD2 4.03Å; F439-L453 HydrophobicContact CZ-CD2 3.58Å | ||
| 440 | D | 90.3 | Very high | 87.6 | Confident | 52 Ų | 52 | 56 Ų | 56 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -80.9 | 111.4 | 163.4 | -176.8 | -8.5 | 0 | 0 | 0 | 108.8 | D442 I443 H452 | D440-D442 VanDerWaalsContact C-N 3.32Å; D440-D442 WeakPolarHBondContact OD1-CB 3.44Å; D440-D442 PolarHBondContact OD1-N 3.08Å; D440-I443 HydrophobicContact CB-CD1 3.96Å; D440-I443 HydrophobicContact CB-CG1 4.18Å; D440-H452 VanDerWaalsContact CB-ND1 3.31Å; D440-H452 WeakPolarHBondContact CB-ND1 3.25Å; D440-H452 IonicContact OD2-CE1 3.5Å; D440-H452 PolarHBondContact OD2-CE1 2.7Å; D440-H452 IonicContact OD2-ND1 3.5Å; D440-H452 PolarHBondContact OD2-ND1 3.43Å | ||
| 441 | L | 88.8 | Confident | 87.3 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.2 | -174.7 | -58 | -177.2 | 0 | 0 | 0 | 113 | K338 D341 F439 I443 | K338-L441 HydrophobicContact CB-CD2 4.35Å; D341-L441 HydrophobicContact CB-CD2 4.09Å; F439-L441 HydrophobicContact CB-CD2 4.1Å; F439-L441 PolarHBondContact O-N 3.48Å; L441-I443 VanDerWaalsContact C-N 3.3Å |
| 442 | D | 84.4 | Confident | 87.1 | Confident | 141 Ų | 141 | 56.2 Ų | 56.2 | 75% | 0.754 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.6 | 176.6 | -65.2 | -33.4 | 0 | 0 | 0 | 111.9 | D440 K444 | D440-D442 VanDerWaalsContact C-N 3.32Å; D440-D442 WeakPolarHBondContact OD1-CB 3.44Å; D440-D442 PolarHBondContact OD1-N 3.08Å; D442-K444 PolarHBondContact O-N 3.47Å; D442-K444 VanDerWaalsContact O-N 3.11Å |
| 443 | I | 73 | Confident | 86.9 | Confident | 52 Ų | 52 | 56 Ų | 56 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | trans | -67.1 | 109.2 | 172.5 | -59.5 | 176.6 | 0 | 0 | 0 | 109.1 | D440 L441 E449 H452 | D440-I443 HydrophobicContact CB-CD1 3.96Å; D440-I443 HydrophobicContact CB-CG1 4.18Å; L441-I443 VanDerWaalsContact C-N 3.3Å; I443-E449 HydrophobicContact CD1-CB 4.44Å; I443-H452 HydrophobicContact CD1-CB 4.16Å | ||
| 444 | K | 68.6 | Low | 86.9 | Confident | 188 Ų | 188 | 56.2 Ų | 56.2 | 82% | 0.817 | 32% | 0.319 | S | S | * | . | trans | -101.9 | 142.5 | 174.2 | -60.2 | -170.1 | -176.8 | -178.6 | 0 | 110.6 | D442 | D442-K444 PolarHBondContact O-N 3.47Å; D442-K444 VanDerWaalsContact O-N 3.11Å | ||
| 445 | G | 63.1 | Low | 86.8 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 98.4 | -162.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 446 | W | 65.8 | Low | 86.7 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -99.1 | 124.7 | -176.5 | -176.2 | 80.8 | 0 | 0 | 0 | 111.8 | K479 L485 Q489 M492 C493 | W446-K479 VanDerWaalsContact CH2-NZ 3.27Å; W446-L485 HydrophobicContact CB-CD2 4.38Å; W446-Q489 PolarHBondContact O-NE2 3.11Å; W446-M492 HydrophobicContact CZ3-CB 4.02Å; W446-C493 HydrophobicContact CZ3-CB 4.32Å |
| 447 | G | 69.9 | Low | 86.7 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 26% | 0.258 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 91.9 | 149.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E449 | G447-E449 VanDerWaalsContact C-OE2 3.24Å; G447-E449 WeakPolarHBondContact CA-OE2 3.48Å |
| 448 | G | 82.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 51 Ų | 51 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 102.6 | -24.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D450 V451 H452 | G448-D450 VanDerWaalsContact C-N 3.34Å; G448-D450 PolarHBondContact O-N 2.9Å; G448-V451 PolarHBondContact O-N 3.1Å; G448-H452 WeakPolarHBondContact O-CB 3.44Å; G448-H452 PolarHBondContact O-N 2.9Å |
| 449 | E | 89.3 | Confident | 86.7 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | -179.4 | 77.2 | -76 | -162.8 | 0 | 0 | 112.2 | F439 I443 G447 H452 L453 | F439-E449 HydrophobicContact CD1-CB 4.28Å; F439-E449 HydrophobicContact CD1-CG 4.39Å; F439-E449 HydrophobicContact CE1-CB 4.49Å; F439-E449 HydrophobicContact CE1-CG 4.19Å; I443-E449 HydrophobicContact CD1-CB 4.44Å; G447-E449 VanDerWaalsContact C-OE2 3.24Å; G447-E449 WeakPolarHBondContact CA-OE2 3.48Å; E449-H452 PolarHBondContact O-N 3.24Å; E449-L453 PolarHBondContact O-N 2.99Å |
| 450 | D | 92.4 | Very high | 86.7 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 179 | -67.9 | -35.4 | 0 | 0 | 0 | 111.9 | R336 F423 G424 G448 H452 L453 Y454 | R336-D450 IonicContact CZ-OD1 3.72Å; R336-D450 IonicContact CZ-OD2 3.01Å; R336-D450 IonicContact NH1-OD1 2.71Å; R336-D450 PolarHBondContact NH1-OD1 3.18Å; R336-D450 IonicContact NH1-OD2 2.59Å; R336-D450 PolarHBondContact NH1-OD2 2.99Å; R336-D450 VanDerWaalsContact NH1-OD2 3.11Å; F423-D450 HydrophobicContact CB-CB 3.85Å; G424-D450 WeakPolarHBondContact CA-OD2 3.5Å; G448-D450 VanDerWaalsContact C-N 3.34Å; G448-D450 PolarHBondContact O-N 2.9Å; D450-H452 VanDerWaalsContact C-N 3.34Å; D450-L453 PolarHBondContact O-N 3.21Å; D450-Y454 WeakPolarHBondContact O-CB 3.17Å; D450-Y454 PolarHBondContact O-N 2.93Å |
| 451 | V | 92.1 | Very high | 86.8 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | F423 G448 Y454 R455 | F423-V451 HydrophobicContact CD2-CG2 3.78Å; F423-V451 HydrophobicContact CE2-CG2 4.17Å; G448-V451 PolarHBondContact O-N 3.1Å; V451-Y454 PolarHBondContact O-N 3.38Å; V451-R455 HydrophobicContact CG1-CG 4.48Å; V451-R455 WeakPolarHBondContact O-CB 3.43Å; V451-R455 VanDerWaalsContact O-CG 3.31Å; V451-R455 WeakPolarHBondContact O-CG 3.43Å; V451-R455 PolarHBondContact O-N 3.4Å |
| 452 | H | 93.3 | Very high | 87.1 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 176.8 | -171.3 | -172.8 | 0 | 0 | 0 | 111.2 | D440 I443 G448 E449 D450 Y454 R455 K456 | D440-H452 VanDerWaalsContact CB-ND1 3.31Å; D440-H452 WeakPolarHBondContact CB-ND1 3.25Å; D440-H452 IonicContact OD2-CE1 3.5Å; D440-H452 PolarHBondContact OD2-CE1 2.7Å; D440-H452 IonicContact OD2-ND1 3.5Å; D440-H452 PolarHBondContact OD2-ND1 3.43Å; I443-H452 HydrophobicContact CD1-CB 4.16Å; G448-H452 WeakPolarHBondContact O-CB 3.44Å; G448-H452 PolarHBondContact O-N 2.9Å; E449-H452 PolarHBondContact O-N 3.24Å; D450-H452 VanDerWaalsContact C-N 3.34Å; H452-Y454 VanDerWaalsContact C-N 3.32Å; H452-Y454 PolarHBondContact O-N 3.02Å; H452-R455 PolarHBondContact O-N 2.99Å; H452-K456 WeakPolarHBondContact NE2-CE 3.48Å; H452-K456 WeakPolarHBondContact O-CG 3.5Å; H452-K456 PolarHBondContact O-N 3.07Å |
| 453 | L | 95.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 174.8 | -176.2 | 67.3 | 0 | 0 | 0 | 111.6 | F356 F433 I436 F439 E449 D450 R455 K456 Y457 | F356-L453 HydrophobicContact CD2-CD2 4.5Å; F356-L453 HydrophobicContact CE2-CD2 4.1Å; F433-L453 HydrophobicContact CD2-CD1 4.06Å; F433-L453 HydrophobicContact CD2-CD2 4.35Å; F433-L453 HydrophobicContact CE2-CD1 3.84Å; F433-L453 HydrophobicContact CE2-CD2 4.04Å; I436-L453 HydrophobicContact CD1-CD1 3.56Å; F439-L453 HydrophobicContact CD1-CB 4.2Å; F439-L453 HydrophobicContact CD1-CD2 4.31Å; F439-L453 HydrophobicContact CE1-CB 4.03Å; F439-L453 HydrophobicContact CE1-CD2 3.74Å; F439-L453 HydrophobicContact CE1-CG 4.44Å; F439-L453 HydrophobicContact CE2-CD2 4.03Å; F439-L453 HydrophobicContact CZ-CD2 3.58Å; E449-L453 PolarHBondContact O-N 2.99Å; D450-L453 PolarHBondContact O-N 3.21Å; L453-R455 PolarHBondContact O-N 2.69Å; L453-K456 WeakPolarHBondContact O-CB 3.47Å; L453-K456 PolarHBondContact O-N 3.36Å; L453-Y457 HydrophobicContact CD1-CE2 4.23Å; L453-Y457 HydrophobicContact CG-CD2 4.43Å; L453-Y457 HydrophobicContact CG-CE2 4.1Å; L453-Y457 WeakPolarHBondContact O-CD2 3.43Å; L453-Y457 PolarHBondContact O-N 2.93Å |
| 454 | Y | 96.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 176.3 | -176.9 | -109.6 | 0 | 0 | 0 | 112.2 | E142 Y383 F423 D450 V451 H452 K456 Y457 L458 V464 | E142-Y454 HydrophobicContact CB-CD1 3.77Å; E142-Y454 HydrophobicContact CB-CE1 3.61Å; Y383-Y454 AromaticContact CD1-CD2 3.58Å; Y383-Y454 HydrophobicContact CD1-CD2 3.58Å; Y383-Y454 HydrophobicContact CD1-CE2 4.02Å; Y383-Y454 AromaticContact CD2-CD2 3.8Å; Y383-Y454 HydrophobicContact CD2-CD2 3.8Å; Y383-Y454 AromaticContact CD2-CE2 3.94Å; Y383-Y454 HydrophobicContact CD2-CE2 3.94Å; Y383-Y454 AromaticContact CE1-CD2 3.51Å; Y383-Y454 HydrophobicContact CE1-CD2 3.51Å; Y383-Y454 HydrophobicContact CE1-CE2 4.39Å; Y383-Y454 HydrophobicContact CE1-CG 4.26Å; Y383-Y454 AromaticContact CE2-CD2 3.75Å; Y383-Y454 HydrophobicContact CE2-CD2 3.75Å; Y383-Y454 HydrophobicContact CE2-CE2 4.32Å; Y383-Y454 AromaticContact CG-CD2 3.72Å; Y383-Y454 HydrophobicContact CG-CD2 3.72Å; Y383-Y454 AromaticContact CG-CE2 3.78Å; Y383-Y454 HydrophobicContact CG-CE2 3.78Å; Y383-Y454 AromaticContact CZ-CD2 3.61Å; F423-Y454 AromaticContact CD1-CD1 3.65Å; F423-Y454 HydrophobicContact CD1-CD1 3.65Å; F423-Y454 AromaticContact CD1-CD2 3.64Å; F423-Y454 HydrophobicContact CD1-CD2 3.64Å; F423-Y454 AromaticContact CD1-CE1 3.96Å; F423-Y454 HydrophobicContact CD1-CE1 3.96Å; F423-Y454 AromaticContact CD1-CE2 3.93Å; F423-Y454 HydrophobicContact CD1-CE2 3.93Å; F423-Y454 AromaticContact CD1-CG 3.47Å; F423-Y454 HydrophobicContact CD1-CG 3.47Å; F423-Y454 VanDerWaalsContact CD1-CG 3.47Å; F423-Y454 AromaticContact CE1-CD1 3.46Å; F423-Y454 HydrophobicContact CE1-CD1 3.46Å; F423-Y454 VanDerWaalsContact CE1-CD1 3.46Å; F423-Y454 HydrophobicContact CE1-CD2 4.06Å; F423-Y454 AromaticContact CE1-CE1 3.39Å; F423-Y454 HydrophobicContact CE1-CE1 3.39Å; F423-Y454 AromaticContact CE1-CE2 3.98Å; F423-Y454 HydrophobicContact CE1-CE2 3.98Å; F423-Y454 AromaticContact CE1-CG 3.81Å; F423-Y454 HydrophobicContact CE1-CG 3.81Å; F423-Y454 AromaticContact CE1-CZ 3.68Å; F423-Y454 HydrophobicContact CG-CD1 4.49Å; F423-Y454 HydrophobicContact CG-CG 4.25Å; F423-Y454 HydrophobicContact CZ-CD1 4.18Å; F423-Y454 HydrophobicContact CZ-CE1 4.16Å; D450-Y454 WeakPolarHBondContact O-CB 3.17Å; D450-Y454 PolarHBondContact O-N 2.93Å; V451-Y454 PolarHBondContact O-N 3.38Å; H452-Y454 VanDerWaalsContact C-N 3.32Å; H452-Y454 PolarHBondContact O-N 3.02Å; Y454-K456 VanDerWaalsContact C-N 3.32Å; Y454-K456 PolarHBondContact O-N 3.43Å; Y454-Y457 WeakPolarHBondContact O-CB 3.25Å; Y454-Y457 PolarHBondContact O-N 2.89Å; Y454-Y457 VanDerWaalsContact O-N 3.11Å; Y454-L458 HydrophobicContact CD1-CD1 3.73Å; Y454-L458 HydrophobicContact CD1-CG 4.24Å; Y454-L458 HydrophobicContact CE1-CD1 3.43Å; Y454-L458 VanDerWaalsContact CE1-CD1 3.43Å; Y454-L458 HydrophobicContact CE1-CD2 4.27Å; Y454-L458 HydrophobicContact CE1-CG 4Å; Y454-L458 PolarHBondContact O-N 2.85Å; Y454-V464 HydrophobicContact CD2-CG1 4.29Å; Y454-V464 HydrophobicContact CE2-CG1 3.39Å |
| 455 | R | 95.6 | Very high | 90.1 | Very high | 92 Ų | 92 | 38.1 Ų | 38.1 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 176.1 | -74.1 | 174.2 | 178.5 | 168.8 | 4.7 | 112.5 | E142 V451 H452 L453 Y457 L458 H459 | E142-R455 VanDerWaalsContact CD-NH2 3.28Å; E142-R455 IonicContact OE1-CZ 2.9Å; E142-R455 IonicContact OE1-NE 3.2Å; E142-R455 IonicContact OE1-NH2 3.25Å; E142-R455 PolarHBondContact OE1-NH2 3.11Å; E142-R455 IonicContact OE2-CZ 3.38Å; E142-R455 VanDerWaalsContact OE2-CZ 3.26Å; E142-R455 IonicContact OE2-NE 3.33Å; E142-R455 PolarHBondContact OE2-NE 3.22Å; E142-R455 IonicContact OE2-NH2 2.65Å; E142-R455 PolarHBondContact OE2-NH2 3.22Å; V451-R455 HydrophobicContact CG1-CG 4.48Å; V451-R455 WeakPolarHBondContact O-CB 3.43Å; V451-R455 VanDerWaalsContact O-CG 3.31Å; V451-R455 WeakPolarHBondContact O-CG 3.43Å; V451-R455 PolarHBondContact O-N 3.4Å; H452-R455 PolarHBondContact O-N 2.99Å; L453-R455 PolarHBondContact O-N 2.69Å; R455-Y457 VanDerWaalsContact C-N 3.26Å; R455-Y457 PolarHBondContact O-N 3.26Å; R455-L458 CarbonylContact O-C 3.51Å; R455-L458 WeakPolarHBondContact O-CB 3.3Å; R455-L458 PolarHBondContact O-N 3.5Å; R455-L458 VanDerWaalsContact O-N 3.11Å; R455-H459 VanDerWaalsContact O-CG 3.32Å; R455-H459 PolarHBondContact O-N 2.81Å; R455-H459 PolarHBondContact O-ND1 2.9Å |
| 456 | K | 96 | Very high | 91.7 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.8 | -38.8 | 175 | -70.2 | 179.1 | -177.8 | -173.2 | 0 | 111.9 | I436 G438 H452 L453 Y454 H459 S460 | I436-K456 HydrophobicContact CB-CB 4.45Å; I436-K456 HydrophobicContact CD1-CB 3.81Å; G438-K456 PolarHBondContact O-NZ 2.95Å; H452-K456 WeakPolarHBondContact NE2-CE 3.48Å; H452-K456 WeakPolarHBondContact O-CG 3.5Å; H452-K456 PolarHBondContact O-N 3.07Å; L453-K456 WeakPolarHBondContact O-CB 3.47Å; L453-K456 PolarHBondContact O-N 3.36Å; Y454-K456 VanDerWaalsContact C-N 3.32Å; Y454-K456 PolarHBondContact O-N 3.43Å; K456-H459 PolarHBondContact O-N 3.42Å; K456-S460 PolarHBondContact O-N 2.77Å |
| 457 | Y | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 173 | -76.7 | -63.2 | 0 | 0 | 0 | 113 | V381 Y383 Q428 D432 F433 I436 L453 Y454 R455 H459 S460 L462 | V381-Y457 HydrophobicContact CB-CD1 4.27Å; V381-Y457 HydrophobicContact CB-CE1 4.3Å; V381-Y457 HydrophobicContact CG1-CD1 3.9Å; V381-Y457 HydrophobicContact CG1-CD2 4.47Å; V381-Y457 HydrophobicContact CG1-CE1 4.42Å; V381-Y457 HydrophobicContact CG1-CG 3.91Å; V381-Y457 HydrophobicContact CG2-CD1 4.43Å; V381-Y457 HydrophobicContact CG2-CD2 4.34Å; V381-Y457 HydrophobicContact CG2-CE1 4.22Å; V381-Y457 HydrophobicContact CG2-CE2 4.1Å; V381-Y457 HydrophobicContact CG2-CG 4.47Å; Y383-Y457 AromaticContact CE2-CD2 3.83Å; Y383-Y457 HydrophobicContact CE2-CD2 3.83Å; Y383-Y457 HydrophobicContact CE2-CE2 4.28Å; Y383-Y457 VanDerWaalsContact OH-CD2 3.28Å; Y383-Y457 WeakPolarHBondContact OH-CD2 3.33Å; Q428-Y457 PolarHBondContact OE1-OH 3.21Å; D432-Y457 HydrophobicContact CB-CE1 4.45Å; F433-Y457 VanDerWaalsContact CA-OH 3.31Å; F433-Y457 WeakPolarHBondContact CA-OH 3.45Å; F433-Y457 PolarHBondContact N-OH 2.86Å; I436-Y457 HydrophobicContact CD1-CD1 3.89Å; I436-Y457 HydrophobicContact CD1-CD2 3.73Å; I436-Y457 HydrophobicContact CD1-CE1 3.61Å; I436-Y457 HydrophobicContact CD1-CE2 3.46Å; I436-Y457 VanDerWaalsContact CD1-CE2 3.46Å; I436-Y457 HydrophobicContact CD1-CG 3.95Å; I436-Y457 VanDerWaalsContact CD1-CZ 3.4Å; I436-Y457 HydrophobicContact CG1-CD1 4.49Å; I436-Y457 HydrophobicContact CG1-CE1 3.97Å; I436-Y457 HydrophobicContact CG2-CD1 4.05Å; I436-Y457 HydrophobicContact CG2-CE1 3.99Å; L453-Y457 HydrophobicContact CD1-CE2 4.23Å; L453-Y457 HydrophobicContact CG-CD2 4.43Å; L453-Y457 HydrophobicContact CG-CE2 4.1Å; L453-Y457 WeakPolarHBondContact O-CD2 3.43Å; L453-Y457 PolarHBondContact O-N 2.93Å; Y454-Y457 WeakPolarHBondContact O-CB 3.25Å; Y454-Y457 PolarHBondContact O-N 2.89Å; Y454-Y457 VanDerWaalsContact O-N 3.11Å; R455-Y457 VanDerWaalsContact C-N 3.26Å; R455-Y457 PolarHBondContact O-N 3.26Å; Y457-H459 PolarHBondContact O-N 3.11Å; Y457-S460 VanDerWaalsContact O-CB 3.31Å; Y457-S460 WeakPolarHBondContact O-CB 3.21Å; Y457-S460 PolarHBondContact O-N 3.37Å; Y457-S460 PolarHBondContact O-OG 2.85Å; Y457-L462 HydrophobicContact CD1-CD1 3.8Å; Y457-L462 HydrophobicContact CE1-CD1 3.8Å |
| 458 | L | 96.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -26.1 | 175.1 | -66.5 | 178.3 | 0 | 0 | 0 | 113.3 | K138 L139 E142 A145 Y454 R455 S460 V464 | K138-L458 CarbonylContact C-O 3.54Å; K138-L458 VanDerWaalsContact CA-O 3.3Å; K138-L458 WeakPolarHBondContact CA-O 3.38Å; L139-L458 HydrophobicContact CB-CB 4.27Å; L139-L458 HydrophobicContact CB-CD2 4.4Å; L139-L458 HydrophobicContact CD1-CD2 4Å; L139-L458 PolarHBondContact N-O 2.82Å; E142-L458 HydrophobicContact CB-CD1 4.32Å; A145-L458 HydrophobicContact CB-CD2 4.06Å; Y454-L458 HydrophobicContact CD1-CD1 3.73Å; Y454-L458 HydrophobicContact CD1-CG 4.24Å; Y454-L458 HydrophobicContact CE1-CD1 3.43Å; Y454-L458 VanDerWaalsContact CE1-CD1 3.43Å; Y454-L458 HydrophobicContact CE1-CD2 4.27Å; Y454-L458 HydrophobicContact CE1-CG 4Å; Y454-L458 PolarHBondContact O-N 2.85Å; R455-L458 CarbonylContact O-C 3.51Å; R455-L458 WeakPolarHBondContact O-CB 3.3Å; R455-L458 PolarHBondContact O-N 3.5Å; R455-L458 VanDerWaalsContact O-N 3.11Å; L458-S460 VanDerWaalsContact C-N 3.34Å; L458-V464 HydrophobicContact CD2-CB 4.11Å; L458-V464 HydrophobicContact CD2-CG1 4.38Å; L458-V464 HydrophobicContact CD2-CG2 3.8Å |
| 459 | H | 95.5 | Very high | 95 | Very high | 98 Ų | 98 | 28 Ų | 28 | 45% | 0.454 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.6 | 174.5 | -62.9 | 157.4 | 0 | 0 | 0 | 113.6 | K138 L139 A140 R455 K456 Y457 | K138-H459 WeakPolarHBondContact CE-O 3.38Å; L139-H459 PolarHBondContact O-CD2 3.41Å; L139-H459 PolarHBondContact O-NE2 3.25Å; A140-H459 PolarHBondContact O-NE2 2.87Å; R455-H459 VanDerWaalsContact O-CG 3.32Å; R455-H459 PolarHBondContact O-N 2.81Å; R455-H459 PolarHBondContact O-ND1 2.9Å; K456-H459 PolarHBondContact O-N 3.42Å; Y457-H459 PolarHBondContact O-N 3.11Å |
| 460 | S | 94.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 15% | 0.147 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -87.6 | -176.9 | 175.6 | 84.4 | 0 | 0 | 0 | 0 | 111.7 | K456 Y457 L458 L462 | K456-S460 PolarHBondContact O-N 2.77Å; Y457-S460 VanDerWaalsContact O-CB 3.31Å; Y457-S460 WeakPolarHBondContact O-CB 3.21Å; Y457-S460 PolarHBondContact O-N 3.37Å; Y457-S460 PolarHBondContact O-OG 2.85Å; L458-S460 VanDerWaalsContact C-N 3.34Å; S460-L462 VanDerWaalsContact C-N 3.35Å; S460-L462 WeakPolarHBondContact OG-CB 3.36Å; S460-L462 WeakPolarHBondContact OG-CG 3.41Å; S460-L462 PolarHBondContact OG-N 3.29Å; S460-L462 VanDerWaalsContact OG-N 3.11Å |
| 461 | N | 92.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 30 Ų | 30 | 61% | 0.61 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -94.2 | 6.8 | 173.6 | -60.5 | -24.2 | 0 | 0 | 0 | 112.6 | G136 K138 | G136-N461 PolarHBondContact N-O 2.9Å; K138-N461 WeakPolarHBondContact CE-OD1 3.3Å |
| 462 | L | 95.6 | Very high | 95.6 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -78.3 | 140.4 | 178.3 | -57.1 | -176.1 | 0 | 0 | 0 | 110.3 | G378 K379 D432 Y457 S460 | G378-L462 VanDerWaalsContact O-CD2 3.29Å; G378-L462 WeakPolarHBondContact O-CD2 3.43Å; K379-L462 VanDerWaalsContact N-CD2 3.3Å; D432-L462 HydrophobicContact CB-CD1 3.89Å; Y457-L462 HydrophobicContact CD1-CD1 3.8Å; Y457-L462 HydrophobicContact CE1-CD1 3.8Å; S460-L462 VanDerWaalsContact C-N 3.35Å; S460-L462 WeakPolarHBondContact OG-CB 3.36Å; S460-L462 WeakPolarHBondContact OG-CG 3.41Å; S460-L462 PolarHBondContact OG-N 3.29Å; S460-L462 VanDerWaalsContact OG-N 3.11Å |
| 463 | I | 95.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.2 | 170.1 | -58.8 | 168 | 0 | 0 | 0 | 107.7 | E132 G136 K379 K380 V381 V465 | E132-I463 HydrophobicContact CG-CG1 4.46Å; G136-I463 VanDerWaalsContact N-CG1 3.32Å; K379-I463 PolarHBondContact O-N 2.88Å; K380-I463 WeakPolarHBondContact CA-O 3.41Å; K380-I463 HydrophobicContact CG-CB 4.2Å; K380-I463 HydrophobicContact CG-CD1 4.47Å; V381-I463 PolarHBondContact N-O 3.46Å; I463-V465 HydrophobicContact CG2-CG2 4.21Å |
| 464 | V | 96.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.1 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | V381 Y383 Y454 L458 | V381-V464 HydrophobicContact CG1-CB 4.31Å; V381-V464 HydrophobicContact CG1-CG1 4.47Å; V381-V464 HydrophobicContact CG1-CG2 3.77Å; Y383-V464 HydrophobicContact CD2-CG1 4.05Å; Y454-V464 HydrophobicContact CD2-CG1 4.29Å; Y454-V464 HydrophobicContact CE2-CG1 3.39Å; L458-V464 HydrophobicContact CD2-CB 4.11Å; L458-V464 HydrophobicContact CD2-CG1 4.38Å; L458-V464 HydrophobicContact CD2-CG2 3.8Å |
| 465 | V | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 109 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | F148 I213 N374 K380 V381 F382 Y383 I463 | F148-V465 HydrophobicContact CD2-CG1 4.43Å; I213-V465 HydrophobicContact CD1-CG1 3.73Å; N374-V465 HydrophobicContact CB-CG1 4.2Å; K380-V465 HydrophobicContact CD-CG2 4.28Å; V381-V465 PolarHBondContact O-N 3.23Å; F382-V465 WeakPolarHBondContact CA-O 3.43Å; F382-V465 HydrophobicContact CD2-CB 3.96Å; F382-V465 HydrophobicContact CD2-CG1 3.81Å; F382-V465 VanDerWaalsContact CD2-O 3.24Å; F382-V465 WeakPolarHBondContact CD2-O 3.44Å; F382-V465 HydrophobicContact CE2-CG1 4.06Å; Y383-V465 PolarHBondContact N-O 2.84Å; I463-V465 HydrophobicContact CG2-CG2 4.21Å |
| 466 | R | 96.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 5% | 0.049 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.9 | 178.8 | 179.5 | 170.3 | -173.5 | 75.7 | -5.2 | 110.6 | P147 F148 Y383 V385 D420 G422 | P147-R466 HydrophobicContact CB-CB 4.49Å; P147-R466 HydrophobicContact CB-CG 4.32Å; F148-R466 PolarHBondContact N-O 3.47Å; Y383-R466 WeakPolarHBondContact O-CA 3.28Å; V385-R466 HydrophobicContact CG2-CG 3.82Å; D420-R466 PolarHBondContact O-NH2 3.25Å; G422-R466 PolarHBondContact O-NH1 3.38Å; G422-R466 PolarHBondContact O-NH2 3.43Å |
| 467 | T | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 149.7 | -174 | -161.1 | 0 | 0 | 0 | 0 | 113.5 | F148 I213 F382 V385 V469 | F148-T467 VanDerWaalsContact O-CA 3.26Å; F148-T467 WeakPolarHBondContact O-CA 3.28Å; F148-T467 WeakPolarHBondContact O-CB 3.17Å; F148-T467 PolarHBondContact O-OG1 3.45Å; I213-T467 HydrophobicContact CG2-CG2 4.04Å; F382-T467 HydrophobicContact CE2-CG2 3.73Å; F382-T467 HydrophobicContact CZ-CG2 4.07Å; V385-T467 PolarHBondContact N-O 3.34Å; T467-V469 HydrophobicContact CG2-CG2 4.22Å |
| 468 | P | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 138.2 | 167.6 | -23.7 | 32.7 | 0 | 0 | 0 | 112.7 | F148 S150 L159 V385 W418 | F148-P468 WeakPolarHBondContact O-CD 3.45Å; S150-P468 WeakPolarHBondContact CB-O 3.08Å; S150-P468 PolarHBondContact OG-O 2.84Å; L159-P468 HydrophobicContact CD2-CG 3.56Å; L159-P468 HydrophobicContact CG-CG 3.73Å; V385-P468 WeakPolarHBondContact O-CA 3Å; W418-P468 HydrophobicContact CD2-CB 3.89Å; W418-P468 HydrophobicContact CE3-CB 4.02Å; W418-P468 HydrophobicContact CH2-CB 4.09Å; W418-P468 HydrophobicContact CZ2-CB 3.94Å; W418-P468 HydrophobicContact CZ3-CB 4.11Å |
| 469 | V | 96 | Very high | 95.1 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 119.3 | 176.4 | -171.8 | 0 | 0 | 0 | 0 | 112.1 | F367 T370 F382 P384 V385 W418 T467 G471 L472 | F367-V469 HydrophobicContact CD2-CB 4.45Å; F367-V469 HydrophobicContact CD2-CG1 3.77Å; T370-V469 HydrophobicContact CG2-CG1 4.33Å; T370-V469 HydrophobicContact CG2-CG2 4.38Å; F382-V469 HydrophobicContact CE1-CG2 4.4Å; F382-V469 HydrophobicContact CZ-CG2 3.76Å; P384-V469 HydrophobicContact CB-CG2 3.68Å; V385-V469 PolarHBondContact O-N 3.45Å; W418-V469 WeakPolarHBondContact CZ3-O 3.27Å; T467-V469 HydrophobicContact CG2-CG2 4.22Å; V469-G471 PolarHBondContact O-N 2.85Å; V469-L472 HydrophobicContact CB-CB 4.27Å; V469-L472 HydrophobicContact CG1-CB 4.46Å; V469-L472 PolarHBondContact O-N 2.81Å |
| 470 | R | 93.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 34% | 0.343 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -16.8 | -174.8 | 69.9 | -177.9 | 179.7 | 90.2 | -14.6 | 115.7 | Y157 E366 I411 F473 | Y157-R470 HydrophobicContact CE1-CB 4.13Å; Y157-R470 HydrophobicContact CE2-CB 3.99Å; Y157-R470 HydrophobicContact CE2-CG 4.41Å; Y157-R470 WeakPolarHBondContact OH-CD 3.44Å; E366-R470 IonicContact OE1-CZ 3.31Å; E366-R470 IonicContact OE1-NE 2.67Å; E366-R470 PolarHBondContact OE1-NE 3.01Å; E366-R470 VanDerWaalsContact OE1-NE 3.1Å; E366-R470 IonicContact OE1-NH1 2.73Å; E366-R470 IonicContact OE1-NH2 3.55Å; E366-R470 PolarHBondContact OE1-NH2 3.12Å; E366-R470 IonicContact OE2-CZ 2.98Å; E366-R470 IonicContact OE2-NE 2.72Å; E366-R470 IonicContact OE2-NH1 2.74Å; E366-R470 PolarHBondContact OE2-NH1 2.65Å; E366-R470 IonicContact OE2-NH2 3.78Å; E366-R470 PolarHBondContact OE2-NH2 3.09Å; I411-R470 HydrophobicContact CD1-CB 3.8Å; R470-F473 WeakPolarHBondContact O-CE2 3.38Å |
| 471 | G | 94.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 15.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F363 T364 V469 | F363-G471 CarbonylContact C-O 3.58Å; F363-G471 WeakPolarHBondContact CA-O 3.28Å; T364-G471 PolarHBondContact N-O 2.97Å; V469-G471 PolarHBondContact O-N 2.85Å |
| 472 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 114.8 | -173.6 | -172.1 | 67.7 | 0 | 0 | 0 | 111.1 | F355 I361 F363 F367 P384 L386 F387 V469 | F355-L472 HydrophobicContact CZ-CD1 4.26Å; I361-L472 HydrophobicContact CG2-CD1 3.4Å; I361-L472 VanDerWaalsContact CG2-CD1 3.4Å; I361-L472 HydrophobicContact CG2-CG 4.39Å; F363-L472 HydrophobicContact CB-CD1 3.76Å; F367-L472 HydrophobicContact CD1-CD1 4.17Å; F367-L472 HydrophobicContact CD2-CB 4.07Å; F367-L472 HydrophobicContact CD2-CD1 4.3Å; F367-L472 HydrophobicContact CD2-CD2 4.23Å; F367-L472 HydrophobicContact CD2-CG 4.44Å; F367-L472 HydrophobicContact CE1-CD1 4.03Å; F367-L472 HydrophobicContact CE2-CB 4.41Å; F367-L472 HydrophobicContact CE2-CD1 4.18Å; F367-L472 HydrophobicContact CE2-CD2 3.73Å; F367-L472 HydrophobicContact CE2-CG 4.34Å; F367-L472 HydrophobicContact CG-CB 4.42Å; F367-L472 HydrophobicContact CG-CD1 4.29Å; F367-L472 HydrophobicContact CZ-CD1 4.03Å; F367-L472 HydrophobicContact CZ-CD2 4.07Å; P384-L472 HydrophobicContact CB-CD2 3.71Å; P384-L472 HydrophobicContact CG-CD2 3.84Å; L386-L472 HydrophobicContact CB-CB 4.28Å; L386-L472 HydrophobicContact CB-CD2 3.68Å; L386-L472 HydrophobicContact CB-CG 3.64Å; F387-L472 PolarHBondContact N-O 2.89Å; V469-L472 HydrophobicContact CB-CB 4.27Å; V469-L472 HydrophobicContact CG1-CB 4.46Å; V469-L472 PolarHBondContact O-N 2.81Å |
| 473 | F | 98.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.4 | -174.9 | -65.1 | -98.9 | 0 | 0 | 0 | 110.9 | I361 Y362 F387 Q389 L409 I411 R470 L475 | I361-F473 WeakPolarHBondContact CA-O 3.31Å; Y362-F473 HydrophobicContact CD1-CD2 4.24Å; Y362-F473 PolarHBondContact N-O 3.33Å; Y362-F473 PolarHBondContact O-N 2.73Å; F387-F473 HydrophobicContact CB-CD1 3.98Å; F387-F473 HydrophobicContact CB-CE1 4.14Å; F387-F473 AromaticContact CD1-CD1 3.81Å; F387-F473 HydrophobicContact CD1-CD1 3.81Å; F387-F473 AromaticContact CD1-CE1 3.78Å; F387-F473 HydrophobicContact CD1-CE1 3.78Å; F387-F473 HydrophobicContact CG-CD1 4.35Å; F387-F473 HydrophobicContact CG-CE1 4.28Å; F387-F473 CarbonylContact O-C 3.58Å; F387-F473 VanDerWaalsContact O-CA 3.28Å; F387-F473 WeakPolarHBondContact O-CA 3.3Å; Q389-F473 HydrophobicContact CG-CD1 4.45Å; L409-F473 HydrophobicContact CB-CE1 4.46Å; L409-F473 HydrophobicContact CB-CE2 4.37Å; L409-F473 HydrophobicContact CB-CZ 4.24Å; L409-F473 HydrophobicContact CD2-CB 4.08Å; L409-F473 HydrophobicContact CD2-CD1 4.12Å; L409-F473 HydrophobicContact CD2-CD2 3.94Å; L409-F473 HydrophobicContact CD2-CE2 4.42Å; L409-F473 HydrophobicContact CD2-CG 3.78Å; I411-F473 HydrophobicContact CD1-CZ 4.16Å; I411-F473 HydrophobicContact CG1-CE1 3.87Å; I411-F473 HydrophobicContact CG1-CZ 3.84Å; R470-F473 WeakPolarHBondContact O-CE2 3.38Å; F473-L475 HydrophobicContact CB-CD2 4.44Å |
| 474 | H | 96.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.6 | 163.2 | 178.8 | -80.1 | 0 | 0 | 0 | 108.1 | I361 L386 F387 Q389 H477 | I361-H474 HydrophobicContact CD1-CB 3.97Å; L386-H474 HydrophobicContact CD1-CB 3.42Å; L386-H474 VanDerWaalsContact CD1-CB 3.42Å; L386-H474 HydrophobicContact CD2-CB 3.81Å; L386-H474 HydrophobicContact CG-CB 4.29Å; F387-H474 PolarHBondContact O-N 3.18Å; Q389-H474 PolarHBondContact N-O 3.45Å; Q389-H474 VanDerWaalsContact N-O 3.09Å; H474-H477 AromaticContact CE1-CD2 3.55Å; H474-H477 AromaticContact CE1-NE2 3.49Å; H474-H477 PolarHBondContact CE1-NE2 2.97Å; H474-H477 AromaticContact NE2-CD2 3.93Å; H474-H477 AromaticContact NE2-NE2 3.6Å |
| 475 | L | 96.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | trans | -67.2 | 137.8 | 179.4 | -55.8 | -172.5 | 0 | 0 | 0 | 109.4 | D360 L405 L409 F473 H477 | D360-L475 WeakPolarHBondContact O-CB 3.49Å; D360-L475 WeakPolarHBondContact O-CG 3.32Å; D360-L475 PolarHBondContact O-N 2.98Å; L405-L475 HydrophobicContact CD1-CD1 4.16Å; L405-L475 HydrophobicContact CD1-CD2 3.64Å; L405-L475 HydrophobicContact CD2-CD1 4.16Å; L409-L475 HydrophobicContact CD2-CD2 4.17Å; F473-L475 HydrophobicContact CB-CD2 4.44Å; L475-H477 PolarHBondContact O-N 2.98Å | ||
| 476 | W | 95.4 | Very high | 92.2 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | trans | -62.7 | 135.9 | 177.7 | -177.6 | 93.2 | 0 | 0 | 0 | 110.4 | Q389 Y390 N391 P392 E478 N500 | Q389-W476 HydrophobicContact CB-CB 4.49Å; Y390-W476 VanDerWaalsContact O-CB 3.31Å; Y390-W476 WeakPolarHBondContact O-CB 3.45Å; N391-W476 VanDerWaalsContact CA-CD1 3.48Å; N391-W476 HydrophobicContact CB-CD2 4.07Å; N391-W476 HydrophobicContact CB-CG 4.33Å; N391-W476 HydrophobicContact CB-CZ2 3.82Å; N391-W476 VanDerWaalsContact N-CD1 3.3Å; N391-W476 WeakPolarHBondContact ND2-CZ2 3.44Å; P392-W476 HydrophobicContact CG-CE3 4.36Å; W476-E478 HydrophobicContact CH2-CB 4.22Å; W476-N500 PolarHBondContact NE1-O 2.86Å | ||
| 477 | H | 93 | Very high | 91.9 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 22% | 0.218 | 27% | 0.274 | C | S | . | . | trans | -142.9 | 153 | 168.1 | 67.9 | 81.6 | 0 | 0 | 0 | 108.3 | D360 H474 L475 K479 | D360-H477 IonicContact OD2-CD2 3.4Å; D360-H477 PolarHBondContact OD2-CD2 2.77Å; D360-H477 IonicContact OD2-CG 2.75Å; D360-H477 IonicContact OD2-NE2 3.68Å; D360-H477 PolarHBondContact OD2-NE2 3.49Å; H474-H477 AromaticContact CE1-CD2 3.55Å; H474-H477 AromaticContact CE1-NE2 3.49Å; H474-H477 PolarHBondContact CE1-NE2 2.97Å; H474-H477 AromaticContact NE2-CD2 3.93Å; H474-H477 AromaticContact NE2-NE2 3.6Å; L475-H477 PolarHBondContact O-N 2.98Å; H477-K479 PolarHBondContact O-N 3.42Å | ||
| 478 | E | 90.1 | Very high | 91.4 | Very high | 117 Ų | 117 | 62.1 Ų | 62.1 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 135.6 | 175.5 | -171.5 | -179.6 | -167.1 | 0 | 0 | 110.1 | W476 | W476-E478 HydrophobicContact CH2-CB 4.22Š|
| 479 | K | 88.8 | Confident | 90.8 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 15% | 0.148 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 125.5 | 174.4 | -159.2 | 175 | -163.5 | -174 | 0 | 109.9 | W446 H477 S496 K497 | W446-K479 VanDerWaalsContact CH2-NZ 3.27Å; H477-K479 PolarHBondContact O-N 3.42Å; K479-S496 VanDerWaalsContact NZ-CB 3.25Å; K479-S496 PolarHBondContact NZ-OG 3.39Å; K479-K497 HydrophobicContact CB-CB 4.25Å; K479-K497 HydrophobicContact CB-CD 4.39Å; K479-K497 HydrophobicContact CB-CG 4.2Å; K479-K497 HydrophobicContact CD-CB 4.37Å; K479-K497 WeakPolarHBondContact O-CD 3.33Å; K479-K497 WeakPolarHBondContact O-CE 3.29Å; K479-K497 PolarHBondContact O-NZ 2.99Å |
| 480 | R | 87.3 | Confident | 90.4 | Very high | 210 Ų | 210 | 68.3 Ų | 68.3 | 79% | 0.792 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -99 | 120.2 | 171.9 | -63.7 | -177.2 | -175.7 | 176.3 | 1.9 | 108.7 | ||
| 481 | C | 88.7 | Confident | 90.3 | Very high | 20 Ų | 20 | 70.1 Ų | 70.1 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | trans | -104.2 | 111.2 | 173.6 | -57.8 | 0 | 0 | 0 | 0 | 106.5 | Y490 C493 M494 | C481-Y490 HydrophobicContact CB-CD2 4.02Å; C481-Y490 HydrophobicContact CB-CE2 3.73Å; C481-C493 WeakPolarHBondContact CA-SG 3.38Å; C481-C493 HydrophobicContact CB-CB 3.83Å; C481-C493 WeakPolarHBondContact CB-SG 3.49Å; C481-C493 WeakPolarHBondContact SG-CB 3.39Å; C481-C493 CovalentContact SG-SG 2.04Å; C481-C493 PolarHBondContact SG-SG 2.96Å; C481-M494 HydrophobicContact CB-CG 4.36Å; C481-M494 HydrophobicContact CB-SD 3.94Å | ||
| 482 | V | 87.3 | Confident | 89.8 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | trans | -85.1 | 151.4 | -174.1 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | E484 L485 | V482-E484 VanDerWaalsContact C-N 3.25Å; V482-E484 VanDerWaalsContact CB-OE2 3.28Å; V482-E484 WeakPolarHBondContact CB-OE2 3.4Å; V482-E484 WeakPolarHBondContact CG2-OE2 3.41Å; V482-E484 PolarHBondContact O-N 3.26Å; V482-L485 HydrophobicContact CG2-CD1 4.31Å; V482-L485 HydrophobicContact CG2-CD2 4.36Å; V482-L485 HydrophobicContact CG2-CG 3.8Å; V482-L485 WeakPolarHBondContact O-CG 3.32Å; V482-L485 PolarHBondContact O-N 3.01Å | ||
| 483 | D | 86.9 | Confident | 89.4 | Confident | 139 Ų | 139 | 75 Ų | 75 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.4 | -172.9 | -66.3 | -33.5 | 0 | 0 | 0 | 112.8 | L485 | D483-L485 PolarHBondContact O-N 3.46Š|
| 484 | E | 86.6 | Confident | 89.1 | Confident | 163 Ų | 163 | 78.3 Ų | 78.3 | 76% | 0.762 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.6 | 178.7 | -56.6 | 82.2 | -179.8 | 0 | 0 | 113.7 | V482 | V482-E484 VanDerWaalsContact C-N 3.25Å; V482-E484 VanDerWaalsContact CB-OE2 3.28Å; V482-E484 WeakPolarHBondContact CB-OE2 3.4Å; V482-E484 WeakPolarHBondContact CG2-OE2 3.41Å; V482-E484 PolarHBondContact O-N 3.26Å |
| 485 | L | 83.2 | Confident | 88.8 | Confident | 32 Ų | 32 | 82.3 Ų | 82.3 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -67 | 149.6 | 175.5 | -68.7 | 176 | 0 | 0 | 0 | 111.2 | W446 V482 D483 Q489 C493 | W446-L485 HydrophobicContact CB-CD2 4.38Å; V482-L485 HydrophobicContact CG2-CD1 4.31Å; V482-L485 HydrophobicContact CG2-CD2 4.36Å; V482-L485 HydrophobicContact CG2-CG 3.8Å; V482-L485 WeakPolarHBondContact O-CG 3.32Å; V482-L485 PolarHBondContact O-N 3.01Å; D483-L485 PolarHBondContact O-N 3.46Å; L485-Q489 HydrophobicContact CB-CB 4.01Å; L485-Q489 HydrophobicContact CD2-CB 4.21Å; L485-C493 HydrophobicContact CD1-CB 4.23Å |
| 486 | S | 86.4 | Confident | 88.5 | Confident | 41 Ų | 41 | 82.2 Ų | 82.2 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | trans | -59.2 | 155 | 169.3 | 95.6 | 0 | 0 | 0 | 0 | 110.4 | E488 Q489 Y490 | S486-E488 PolarHBondContact O-N 2.96Å; S486-E488 VanDerWaalsContact O-N 3.14Å; S486-E488 PolarHBondContact OG-N 3.49Å; S486-E488 PolarHBondContact OG-OE2 3.35Å; S486-Q489 PolarHBondContact O-N 2.9Å; S486-Q489 PolarHBondContact OG-N 3.31Å; S486-Y490 WeakPolarHBondContact O-CB 3.41Å; S486-Y490 PolarHBondContact O-N 2.99Å | ||
| 487 | P | 89.4 | Confident | 88.3 | Confident | 102 Ų | 102 | 81.9 Ų | 81.9 | 66% | 0.662 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -51.5 | -39.3 | 177.2 | -28.8 | 36.4 | 0 | 0 | 0 | 113.6 | K491 | P487-K491 VanDerWaalsContact O-CB 3.3Å; P487-K491 WeakPolarHBondContact O-CB 3.41Å; P487-K491 PolarHBondContact O-N 2.92Å |
| 488 | E | 85.8 | Confident | 88.3 | Confident | 124 Ų | 124 | 82.3 Ų | 82.3 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.1 | -47.9 | 176.9 | -60.6 | 70.5 | -152.3 | 0 | 0 | 111.6 | S486 K491 M492 | S486-E488 PolarHBondContact O-N 2.96Å; S486-E488 VanDerWaalsContact O-N 3.14Å; S486-E488 PolarHBondContact OG-N 3.49Å; S486-E488 PolarHBondContact OG-OE2 3.35Å; E488-K491 PolarHBondContact O-N 2.88Å; E488-M492 VanDerWaalsContact O-CG 3.31Å; E488-M492 WeakPolarHBondContact O-CG 3.41Å; E488-M492 PolarHBondContact O-N 3.37Å |
| 489 | Q | 84.5 | Confident | 88.4 | Confident | 49 Ų | 49 | 80.8 Ų | 80.8 | 23% | 0.229 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.7 | -72.7 | 177.3 | -36.4 | 0 | 0 | 111.9 | W446 L485 S486 M492 C493 | W446-Q489 PolarHBondContact O-NE2 3.11Å; L485-Q489 HydrophobicContact CB-CB 4.01Å; L485-Q489 HydrophobicContact CD2-CB 4.21Å; S486-Q489 PolarHBondContact O-N 2.9Å; S486-Q489 PolarHBondContact OG-N 3.31Å; Q489-M492 PolarHBondContact O-N 3.44Å; Q489-C493 WeakPolarHBondContact O-CB 3.44Å; Q489-C493 PolarHBondContact O-N 2.9Å |
| 490 | Y | 88.5 | Confident | 88.6 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.3 | -173.6 | -94.9 | 0 | 0 | 0 | 110.9 | C481 S486 M492 C493 M494 | C481-Y490 HydrophobicContact CB-CD2 4.02Å; C481-Y490 HydrophobicContact CB-CE2 3.73Å; S486-Y490 WeakPolarHBondContact O-CB 3.41Å; S486-Y490 PolarHBondContact O-N 2.99Å; Y490-M492 PolarHBondContact O-N 2.91Å; Y490-C493 WeakPolarHBondContact O-CB 3.3Å; Y490-C493 PolarHBondContact O-N 3.27Å; Y490-M494 HydrophobicContact CD1-CG 3.95Å; Y490-M494 HydrophobicContact CE1-CG 3.52Å; Y490-M494 HydrophobicContact CE1-SD 4.42Å; Y490-M494 HydrophobicContact CE2-CG 4.39Å; Y490-M494 WeakPolarHBondContact O-CB 3.4Å; Y490-M494 WeakPolarHBondContact O-CG 3.4Å; Y490-M494 PolarHBondContact O-N 3.37Å |
| 491 | K | 89.9 | Confident | 88.9 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.2 | -46.6 | 175 | -178.6 | 178.6 | 177.5 | -178.5 | 0 | 111.8 | P487 E488 C493 M494 Q495 | P487-K491 VanDerWaalsContact O-CB 3.3Å; P487-K491 WeakPolarHBondContact O-CB 3.41Å; P487-K491 PolarHBondContact O-N 2.92Å; E488-K491 PolarHBondContact O-N 2.88Å; K491-C493 VanDerWaalsContact C-N 3.33Å; K491-C493 PolarHBondContact O-N 2.93Å; K491-M494 PolarHBondContact O-N 3.45Å; K491-Q495 HydrophobicContact CG-CG 4.47Å; K491-Q495 WeakPolarHBondContact O-CB 3.26Å; K491-Q495 VanDerWaalsContact O-CG 3.28Å; K491-Q495 WeakPolarHBondContact O-CG 3.49Å; K491-Q495 PolarHBondContact O-N 2.93Å |
| 492 | M | 85.7 | Confident | 89.2 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.9 | -71.4 | 175.7 | 66.1 | 0 | 0 | 112 | W446 E488 Q489 Y490 S496 | W446-M492 HydrophobicContact CZ3-CB 4.02Å; E488-M492 VanDerWaalsContact O-CG 3.31Å; E488-M492 WeakPolarHBondContact O-CG 3.41Å; E488-M492 PolarHBondContact O-N 3.37Å; Q489-M492 PolarHBondContact O-N 3.44Å; Y490-M492 PolarHBondContact O-N 2.91Å; M492-S496 VanDerWaalsContact O-CB 3.31Å; M492-S496 WeakPolarHBondContact O-CB 3.26Å; M492-S496 PolarHBondContact O-N 2.88Å |
| 493 | C | 88.9 | Confident | 89.4 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | W446 C481 L485 Q489 Y490 K491 S496 K497 | W446-C493 HydrophobicContact CZ3-CB 4.32Å; C481-C493 WeakPolarHBondContact CA-SG 3.38Å; C481-C493 HydrophobicContact CB-CB 3.83Å; C481-C493 WeakPolarHBondContact CB-SG 3.49Å; C481-C493 WeakPolarHBondContact SG-CB 3.39Å; C481-C493 CovalentContact SG-SG 2.04Å; C481-C493 PolarHBondContact SG-SG 2.96Å; L485-C493 HydrophobicContact CD1-CB 4.23Å; Q489-C493 WeakPolarHBondContact O-CB 3.44Å; Q489-C493 PolarHBondContact O-N 2.9Å; Y490-C493 WeakPolarHBondContact O-CB 3.3Å; Y490-C493 PolarHBondContact O-N 3.27Å; K491-C493 VanDerWaalsContact C-N 3.33Å; K491-C493 PolarHBondContact O-N 2.93Å; C493-S496 PolarHBondContact O-N 3.45Å; C493-K497 PolarHBondContact O-N 3.35Å |
| 494 | M | 91.9 | Very high | 89.5 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | -179.5 | -73.1 | -58.3 | -66.7 | 0 | 0 | 112.8 | C481 Y490 K491 K497 A498 | C481-M494 HydrophobicContact CB-CG 4.36Å; C481-M494 HydrophobicContact CB-SD 3.94Å; Y490-M494 HydrophobicContact CD1-CG 3.95Å; Y490-M494 HydrophobicContact CE1-CG 3.52Å; Y490-M494 HydrophobicContact CE1-SD 4.42Å; Y490-M494 HydrophobicContact CE2-CG 4.39Å; Y490-M494 WeakPolarHBondContact O-CB 3.4Å; Y490-M494 WeakPolarHBondContact O-CG 3.4Å; Y490-M494 PolarHBondContact O-N 3.37Å; K491-M494 PolarHBondContact O-N 3.45Å; M494-K497 WeakPolarHBondContact O-CB 3.47Å; M494-K497 PolarHBondContact O-N 3.2Å; M494-K497 HydrophobicContact SD-CD 4.44Å; M494-A498 WeakPolarHBondContact O-CB 3.25Å; M494-A498 PolarHBondContact O-N 3.42Å |
| 495 | Q | 90.5 | Very high | 89.6 | Confident | 105 Ų | 105 | 63.4 Ų | 63.4 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 173.2 | -75.9 | 177.1 | -25 | 0 | 0 | 111 | K491 K497 A498 M499 | K491-Q495 HydrophobicContact CG-CG 4.47Å; K491-Q495 WeakPolarHBondContact O-CB 3.26Å; K491-Q495 VanDerWaalsContact O-CG 3.28Å; K491-Q495 WeakPolarHBondContact O-CG 3.49Å; K491-Q495 PolarHBondContact O-N 2.93Å; Q495-K497 VanDerWaalsContact C-N 3.3Å; Q495-K497 PolarHBondContact O-N 3.07Å; Q495-A498 PolarHBondContact O-N 2.94Å; Q495-M499 WeakPolarHBondContact O-CG 3.49Å; Q495-M499 PolarHBondContact O-N 3.41Å |
| 496 | S | 89.3 | Confident | 90 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | K479 M492 C493 N500 | K479-S496 VanDerWaalsContact NZ-CB 3.25Å; K479-S496 PolarHBondContact NZ-OG 3.39Å; M492-S496 VanDerWaalsContact O-CB 3.31Å; M492-S496 WeakPolarHBondContact O-CB 3.26Å; M492-S496 PolarHBondContact O-N 2.88Å; C493-S496 PolarHBondContact O-N 3.45Å; S496-N500 PolarHBondContact O-ND2 3.47Å |
| 497 | K | 92.6 | Very high | 90.3 | Very high | 53 Ų | 53 | 64.8 Ų | 64.8 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -54.2 | 176.3 | -177.9 | 173.5 | -177.2 | 160.2 | 0 | 110.4 | K479 C493 M494 Q495 M499 N500 | K479-K497 HydrophobicContact CB-CB 4.25Å; K479-K497 HydrophobicContact CB-CD 4.39Å; K479-K497 HydrophobicContact CB-CG 4.2Å; K479-K497 HydrophobicContact CD-CB 4.37Å; K479-K497 WeakPolarHBondContact O-CD 3.33Å; K479-K497 WeakPolarHBondContact O-CE 3.29Å; K479-K497 PolarHBondContact O-NZ 2.99Å; C493-K497 PolarHBondContact O-N 3.35Å; M494-K497 WeakPolarHBondContact O-CB 3.47Å; M494-K497 PolarHBondContact O-N 3.2Å; M494-K497 HydrophobicContact SD-CD 4.44Å; Q495-K497 VanDerWaalsContact C-N 3.3Å; Q495-K497 PolarHBondContact O-N 3.07Å; K497-M499 VanDerWaalsContact C-N 3.28Å; K497-M499 PolarHBondContact O-N 3.29Å; K497-N500 PolarHBondContact O-N 3.32Å |
| 498 | A | 92.2 | Very high | 90.4 | Very high | 56 Ų | 56 | 61 Ų | 61 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.4 | -40.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M494 Q495 N500 E501 | M494-A498 WeakPolarHBondContact O-CB 3.25Å; M494-A498 PolarHBondContact O-N 3.42Å; Q495-A498 PolarHBondContact O-N 2.94Å; A498-N500 VanDerWaalsContact C-N 3.26Å; A498-N500 PolarHBondContact O-N 3.14Å; A498-E501 PolarHBondContact O-N 3.15Å |
| 499 | M | 91.3 | Very high | 90.6 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.9 | -22.8 | 177.6 | -71.3 | -169 | -52.8 | 0 | 0 | 114.1 | Y390 F417 F421 Q495 K497 | Y390-M499 WeakPolarHBondContact CE1-O 3.49Å; F417-M499 VanDerWaalsContact CE1-O 3.29Å; F417-M499 WeakPolarHBondContact CE1-O 3.28Å; F417-M499 HydrophobicContact CZ-CB 4.36Å; F421-M499 HydrophobicContact CD1-CE 4.24Å; F421-M499 HydrophobicContact CE1-CE 3.35Å; F421-M499 HydrophobicContact CE1-SD 4.25Å; F421-M499 HydrophobicContact CE2-CE 3.98Å; F421-M499 HydrophobicContact CZ-CE 3.2Å; Q495-M499 WeakPolarHBondContact O-CG 3.49Å; Q495-M499 PolarHBondContact O-N 3.41Å; K497-M499 VanDerWaalsContact C-N 3.28Å; K497-M499 PolarHBondContact O-N 3.29Å |
| 500 | N | 93.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 8% | 0.08 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.1 | 178.2 | -61.4 | -56.8 | 0 | 0 | 0 | 113 | Y390 N391 F417 R419 W476 S496 K497 A498 | Y390-N500 CarbonylContact C-O 3.52Å; Y390-N500 WeakPolarHBondContact CA-O 3.46Å; N391-N500 PolarHBondContact N-O 3.48Å; F417-N500 WeakPolarHBondContact CE1-OD1 3.24Å; F417-N500 WeakPolarHBondContact CZ-OD1 3.27Å; R419-N500 PolarHBondContact NH2-ND2 3.4Å; R419-N500 PolarHBondContact NH2-OD1 2.92Å; W476-N500 PolarHBondContact NE1-O 2.86Å; S496-N500 PolarHBondContact O-ND2 3.47Å; K497-N500 PolarHBondContact O-N 3.32Å; A498-N500 VanDerWaalsContact C-N 3.26Å; A498-N500 PolarHBondContact O-N 3.14Å |
| 501 | E | 94.6 | Very high | 91.1 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -54.9 | -177.3 | -67.7 | -55.8 | 150.5 | 0 | 0 | 111.9 | N391 I394 A498 L507 | N391-E501 VanDerWaalsContact CB-O 3.28Å; N391-E501 WeakPolarHBondContact CB-O 3.38Å; N391-E501 WeakPolarHBondContact CB-OE2 3.42Å; N391-E501 PolarHBondContact N-O 3.44Å; N391-E501 VanDerWaalsContact N-O 3.1Å; N391-E501 PolarHBondContact ND2-OE2 2.96Å; I394-E501 HydrophobicContact CD1-CB 3.91Å; I394-E501 WeakPolarHBondContact CD1-OE2 3.3Å; A498-E501 PolarHBondContact O-N 3.15Å; E501-L507 HydrophobicContact CB-CD2 4.37Å |
| 502 | A | 94.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | trans | -165.4 | 172.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | I394 I395 Q506 L507 | I394-A502 HydrophobicContact CG2-CB 3.74Å; I395-A502 HydrophobicContact CD1-CB 3.64Å; A502-Q506 HydrophobicContact CB-CB 3.77Å; A502-L507 HydrophobicContact CB-CD2 3.96Å; A502-L507 HydrophobicContact CB-CG 4.04Å | ||
| 503 | S | 91.7 | Very high | 91.6 | Very high | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -62.5 | 156 | 170.8 | 73.4 | 0 | 0 | 0 | 0 | 111.2 | Y390 K413 G505 Q506 L507 | Y390-S503 VanDerWaalsContact CE2-N 3.26Å; K413-S503 WeakPolarHBondContact O-CB 3.37Å; S503-G505 PolarHBondContact O-N 3.14Å; S503-Q506 VanDerWaalsContact CB-OE1 3.25Å; S503-Q506 PolarHBondContact O-N 3.02Å; S503-Q506 WeakPolarHBondContact OG-CG 3.49Å; S503-Q506 PolarHBondContact OG-N 2.89Å; S503-Q506 PolarHBondContact OG-OE1 3.4Å; S503-L507 PolarHBondContact O-N 3.31Å | ||
| 504 | H | 89.4 | Confident | 91.7 | Very high | 158 Ų | 158 | 70 Ų | 70 | 73% | 0.731 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.3 | -39.3 | 178.7 | -170.9 | 74.3 | 0 | 0 | 0 | 112.9 | G508 | H504-G508 PolarHBondContact O-N 3.27Å |
| 505 | G | 89.1 | Confident | 91.9 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S503 G508 M509 | S503-G505 PolarHBondContact O-N 3.14Å; G505-G508 PolarHBondContact O-N 3.43Å; G505-M509 WeakPolarHBondContact O-CG 3.24Å; G505-M509 PolarHBondContact O-N 2.88Å |
| 506 | Q | 91.2 | Very high | 91.9 | Very high | 42 Ų | 42 | 70.2 Ų | 70.2 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 178.2 | -75.3 | 160.7 | -47.1 | 0 | 0 | 112.3 | I395 E414 A502 S503 G508 M509 L510 | I395-Q506 VanDerWaalsContact CD1-NE2 3.31Å; E414-Q506 PolarHBondContact O-NE2 3.35Å; E414-Q506 PolarHBondContact O-OE1 3.3Å; A502-Q506 HydrophobicContact CB-CB 3.77Å; S503-Q506 VanDerWaalsContact CB-OE1 3.25Å; S503-Q506 PolarHBondContact O-N 3.02Å; S503-Q506 WeakPolarHBondContact OG-CG 3.49Å; S503-Q506 PolarHBondContact OG-N 2.89Å; S503-Q506 PolarHBondContact OG-OE1 3.4Å; Q506-G508 VanDerWaalsContact C-N 3.31Å; Q506-G508 PolarHBondContact O-N 2.97Å; Q506-M509 WeakPolarHBondContact O-CB 3.36Å; Q506-M509 PolarHBondContact O-N 2.97Å; Q506-L510 PolarHBondContact O-N 2.95Å; Q506-L510 VanDerWaalsContact O-N 3.13Å |
| 507 | L | 91.6 | Very high | 92.1 | Very high | 60 Ų | 60 | 72.5 Ų | 72.5 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 173.5 | -66.4 | 176.7 | 0 | 0 | 0 | 111.4 | E501 A502 S503 M509 L510 V511 | E501-L507 HydrophobicContact CB-CD2 4.37Å; A502-L507 HydrophobicContact CB-CD2 3.96Å; A502-L507 HydrophobicContact CB-CG 4.04Å; S503-L507 PolarHBondContact O-N 3.31Å; L507-M509 VanDerWaalsContact C-N 3.31Å; L507-M509 PolarHBondContact O-N 3.36Å; L507-L510 HydrophobicContact CD2-CD1 4.36Å; L507-L510 WeakPolarHBondContact O-CB 3.32Å; L507-L510 PolarHBondContact O-N 2.93Å; L507-L510 VanDerWaalsContact O-N 3.14Å; L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 3.41Å; L507-V511 VanDerWaalsContact O-N 3.07Å |
| 508 | G | 92 | Very high | 92.1 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H504 G505 Q506 L510 V511 F512 | H504-G508 PolarHBondContact O-N 3.27Å; G505-G508 PolarHBondContact O-N 3.43Å; Q506-G508 VanDerWaalsContact C-N 3.31Å; Q506-G508 PolarHBondContact O-N 2.97Å; G508-L510 VanDerWaalsContact C-N 3.27Å; G508-L510 PolarHBondContact O-N 3.3Å; G508-V511 PolarHBondContact O-N 3.32Å; G508-V511 VanDerWaalsContact O-N 3.13Å; G508-F512 WeakPolarHBondContact O-CD2 3.46Å; G508-F512 PolarHBondContact O-N 3.45Å |
| 509 | M | 90.1 | Very high | 92.2 | Very high | 111 Ų | 111 | 74.5 Ų | 74.5 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.6 | -32.2 | 176.5 | -66.1 | -58.5 | -72.8 | 0 | 0 | 113.1 | G505 Q506 L507 R513 I516 | G505-M509 WeakPolarHBondContact O-CG 3.24Å; G505-M509 PolarHBondContact O-N 2.88Å; Q506-M509 WeakPolarHBondContact O-CB 3.36Å; Q506-M509 PolarHBondContact O-N 2.97Å; L507-M509 VanDerWaalsContact C-N 3.31Å; L507-M509 PolarHBondContact O-N 3.36Å; M509-R513 PolarHBondContact O-N 2.9Å; M509-I516 HydrophobicContact CE-CD1 3.35Å; M509-I516 HydrophobicContact CE-CG1 4.33Å; M509-I516 HydrophobicContact SD-CD1 3.91Å |
| 510 | L | 90.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 75 Ų | 75 | 40% | 0.398 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 172.8 | -66 | 176.6 | 0 | 0 | 0 | 111.9 | I394 Q506 L507 G508 R513 | I394-L510 HydrophobicContact CG2-CD1 3.87Å; Q506-L510 PolarHBondContact O-N 2.95Å; Q506-L510 VanDerWaalsContact O-N 3.13Å; L507-L510 HydrophobicContact CD2-CD1 4.36Å; L507-L510 WeakPolarHBondContact O-CB 3.32Å; L507-L510 PolarHBondContact O-N 2.93Å; L507-L510 VanDerWaalsContact O-N 3.14Å; G508-L510 VanDerWaalsContact C-N 3.27Å; G508-L510 PolarHBondContact O-N 3.3Å; L510-R513 VanDerWaalsContact O-CB 3.27Å; L510-R513 WeakPolarHBondContact O-CB 3.46Å; L510-R513 PolarHBondContact O-N 3.45Å |
| 511 | V | 93.8 | Very high | 92.2 | Very high | 110 Ų | 110 | 82 Ų | 82 | 67% | 0.667 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L507 G508 R513 | L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 3.41Å; L507-V511 VanDerWaalsContact O-N 3.07Å; G508-V511 PolarHBondContact O-N 3.32Å; G508-V511 VanDerWaalsContact O-N 3.13Å; V511-R513 VanDerWaalsContact C-N 3.29Å; V511-R513 PolarHBondContact O-N 3.19Å |
| 512 | F | 94.2 | Very high | 92.1 | Very high | 106 Ų | 106 | 86.8 Ų | 86.8 | 47% | 0.465 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12.9 | -178.8 | -61.1 | -67.3 | 0 | 0 | 0 | 114.1 | G508 H514 E515 I516 | G508-F512 WeakPolarHBondContact O-CD2 3.46Å; G508-F512 PolarHBondContact O-N 3.45Å; F512-H514 VanDerWaalsContact C-N 3.3Å; F512-H514 PolarHBondContact O-N 3.14Å; F512-E515 PolarHBondContact O-N 3.13Å; F512-E515 VanDerWaalsContact O-N 3.07Å; F512-I516 HydrophobicContact CB-CD1 4.26Å; F512-I516 WeakPolarHBondContact O-CD1 3.24Å; F512-I516 WeakPolarHBondContact O-CG1 3.3Å; F512-I516 PolarHBondContact O-N 3.45Å; F512-I516 VanDerWaalsContact O-N 3.07Å |
| 513 | R | 91 | Very high | 91.9 | Very high | 132 Ų | 132 | 91.7 Ų | 91.7 | 50% | 0.498 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.2 | -44.5 | -174.2 | -179.6 | 177.6 | 176.8 | 167.8 | 3 | 113.2 | M509 L510 V511 E515 I516 E517 | M509-R513 PolarHBondContact O-N 2.9Å; L510-R513 VanDerWaalsContact O-CB 3.27Å; L510-R513 WeakPolarHBondContact O-CB 3.46Å; L510-R513 PolarHBondContact O-N 3.45Å; V511-R513 VanDerWaalsContact C-N 3.29Å; V511-R513 PolarHBondContact O-N 3.19Å; R513-E515 VanDerWaalsContact C-N 3.34Å; R513-E515 PolarHBondContact O-N 3.19Å; R513-I516 PolarHBondContact O-N 2.76Å; R513-E517 HydrophobicContact CG-CG 4.38Å; R513-E517 WeakPolarHBondContact CG-OE1 3.36Å; R513-E517 IonicContact CZ-OE1 3.53Å; R513-E517 IonicContact NE-OE1 3.51Å; R513-E517 PolarHBondContact NE-OE1 3.4Å; R513-E517 IonicContact NH2-OE1 2.72Å; R513-E517 PolarHBondContact NH2-OE1 2.86Å; R513-E517 WeakPolarHBondContact O-CB 3.46Å; R513-E517 WeakPolarHBondContact O-CG 3.46Å; R513-E517 PolarHBondContact O-N 2.97Å |
| 514 | H | 92.4 | Very high | 91.8 | Very high | 150 Ų | 150 | 98.4 Ų | 98.4 | 69% | 0.694 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -38.2 | -179.4 | -67.5 | -57.2 | 0 | 0 | 0 | 112.8 | F512 A518 | F512-H514 VanDerWaalsContact C-N 3.3Å; F512-H514 PolarHBondContact O-N 3.14Å; H514-A518 VanDerWaalsContact O-CB 3.27Å; H514-A518 WeakPolarHBondContact O-CB 3.28Å; H514-A518 PolarHBondContact O-N 3.49Å |
| 515 | E | 95.5 | Very high | 91.6 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 177.2 | -63.6 | 177.9 | -168.9 | 0 | 0 | 111.2 | F512 R513 A518 H519 | F512-E515 PolarHBondContact O-N 3.13Å; F512-E515 VanDerWaalsContact O-N 3.07Å; R513-E515 VanDerWaalsContact C-N 3.34Å; R513-E515 PolarHBondContact O-N 3.19Å; E515-A518 PolarHBondContact O-N 2.93Å; E515-H519 PolarHBondContact O-N 3.02Å |
| 516 | I | 90.8 | Very high | 91.2 | Very high | 56 Ų | 56 | 102.3 Ų | 102.3 | 29% | 0.287 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 176.1 | -64.6 | 158.2 | 0 | 0 | 0 | 110.2 | M509 F512 R513 A518 H519 L520 | M509-I516 HydrophobicContact CE-CD1 3.35Å; M509-I516 HydrophobicContact CE-CG1 4.33Å; M509-I516 HydrophobicContact SD-CD1 3.91Å; F512-I516 HydrophobicContact CB-CD1 4.26Å; F512-I516 WeakPolarHBondContact O-CD1 3.24Å; F512-I516 WeakPolarHBondContact O-CG1 3.3Å; F512-I516 PolarHBondContact O-N 3.45Å; F512-I516 VanDerWaalsContact O-N 3.07Å; R513-I516 PolarHBondContact O-N 2.76Å; I516-A518 VanDerWaalsContact C-N 3.35Å; I516-A518 PolarHBondContact O-N 2.92Å; I516-H519 WeakPolarHBondContact O-CB 3.5Å; I516-H519 PolarHBondContact O-N 3.46Å; I516-L520 HydrophobicContact CG2-CD1 4.07Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 3.16Å |
| 517 | E | 92.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 104.1 Ų | 104.1 | 27% | 0.266 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 178.6 | -73.7 | -179.6 | -171.1 | 0 | 0 | 112 | R513 H519 L520 R521 | R513-E517 HydrophobicContact CG-CG 4.38Å; R513-E517 WeakPolarHBondContact CG-OE1 3.36Å; R513-E517 IonicContact CZ-OE1 3.53Å; R513-E517 IonicContact NE-OE1 3.51Å; R513-E517 PolarHBondContact NE-OE1 3.4Å; R513-E517 IonicContact NH2-OE1 2.72Å; R513-E517 PolarHBondContact NH2-OE1 2.86Å; R513-E517 WeakPolarHBondContact O-CB 3.46Å; R513-E517 WeakPolarHBondContact O-CG 3.46Å; R513-E517 PolarHBondContact O-N 2.97Å; E517-H519 VanDerWaalsContact C-N 3.34Å; E517-H519 PolarHBondContact O-N 3.04Å; E517-L520 PolarHBondContact O-N 3.48Å; E517-R521 VanDerWaalsContact O-CG 3.32Å; E517-R521 WeakPolarHBondContact O-CG 3.39Å; E517-R521 PolarHBondContact O-N 3.29Å; E517-R521 IonicContact OE2-NH2 3.01Å |
| 518 | A | 94.3 | Very high | 89.4 | Confident | 45 Ų | 45 | 105.2 Ų | 105.2 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H514 E515 I516 K522 | H514-A518 VanDerWaalsContact O-CB 3.27Å; H514-A518 WeakPolarHBondContact O-CB 3.28Å; H514-A518 PolarHBondContact O-N 3.49Å; E515-A518 PolarHBondContact O-N 2.93Å; I516-A518 VanDerWaalsContact C-N 3.35Å; I516-A518 PolarHBondContact O-N 2.92Å; A518-K522 WeakPolarHBondContact O-CG 3.48Å; A518-K522 PolarHBondContact O-N 3.44Å; A518-K522 VanDerWaalsContact O-N 3.16Å |
| 519 | H | 93.3 | Very high | 88.2 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 174.8 | -176.3 | 88.7 | 0 | 0 | 0 | 111.9 | E515 I516 E517 R521 K522 Q523 | E515-H519 PolarHBondContact O-N 3.02Å; I516-H519 WeakPolarHBondContact O-CB 3.5Å; I516-H519 PolarHBondContact O-N 3.46Å; E517-H519 VanDerWaalsContact C-N 3.34Å; E517-H519 PolarHBondContact O-N 3.04Å; H519-R521 VanDerWaalsContact C-N 3.35Å; H519-R521 PolarHBondContact O-N 3.19Å; H519-K522 PolarHBondContact O-N 3.23Å; H519-Q523 PolarHBondContact NE2-NE2 3Å; H519-Q523 PolarHBondContact O-N 3.48Å |
| 520 | L | 92.1 | Very high | 86.8 | Confident | 93 Ų | 93 | 111.2 Ų | 111.2 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 179.7 | -69.9 | 173 | 0 | 0 | 0 | 112.4 | I516 E517 Q523 K524 | I516-L520 HydrophobicContact CG2-CD1 4.07Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 3.16Å; E517-L520 PolarHBondContact O-N 3.48Å; L520-Q523 PolarHBondContact O-N 2.9Å; L520-K524 WeakPolarHBondContact O-CG 3.39Å; L520-K524 PolarHBondContact O-N 2.89Å |
| 521 | R | 93.1 | Very high | 85.2 | Confident | 163 Ų | 163 | 117 Ų | 117 | 62% | 0.615 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.8 | -45.6 | 174.2 | -72 | 176.1 | -168.2 | -173.8 | 6.4 | 111.7 | E517 H519 Q523 K524 Q525 | E517-R521 VanDerWaalsContact O-CG 3.32Å; E517-R521 WeakPolarHBondContact O-CG 3.39Å; E517-R521 PolarHBondContact O-N 3.29Å; E517-R521 IonicContact OE2-NH2 3.01Å; H519-R521 VanDerWaalsContact C-N 3.35Å; H519-R521 PolarHBondContact O-N 3.19Å; R521-Q523 VanDerWaalsContact C-N 3.32Å; R521-Q523 PolarHBondContact O-N 2.99Å; R521-K524 PolarHBondContact O-N 3.38Å; R521-Q525 WeakPolarHBondContact O-CG 3.4Å; R521-Q525 PolarHBondContact O-N 3.36Å; R521-Q525 VanDerWaalsContact O-N 3.12Å |
| 522 | K | 93.1 | Very high | 83 | Confident | 138 Ų | 138 | 119.6 Ų | 119.6 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61 | -39.7 | 175.8 | -73.4 | 176.6 | -179.7 | 177.7 | 0 | 112 | A518 H519 K526 | A518-K522 WeakPolarHBondContact O-CG 3.48Å; A518-K522 PolarHBondContact O-N 3.44Å; A518-K522 VanDerWaalsContact O-N 3.16Å; H519-K522 PolarHBondContact O-N 3.23Å; K522-K526 WeakPolarHBondContact O-CG 3.17Å; K522-K526 PolarHBondContact O-N 3.09Å; K522-K526 VanDerWaalsContact O-N 3.15Å |
| 523 | Q | 89.9 | Confident | 82.4 | Confident | 107 Ų | 107 | 120.3 Ų | 120.3 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -47.3 | 175.7 | -75.5 | -141.5 | 8.7 | 0 | 0 | 112.3 | H519 L520 R521 Q525 K526 T527 | H519-Q523 PolarHBondContact NE2-NE2 3Å; H519-Q523 PolarHBondContact O-N 3.48Å; L520-Q523 PolarHBondContact O-N 2.9Å; R521-Q523 VanDerWaalsContact C-N 3.32Å; R521-Q523 PolarHBondContact O-N 2.99Å; Q523-Q525 VanDerWaalsContact C-N 3.29Å; Q523-Q525 PolarHBondContact O-N 2.95Å; Q523-K526 PolarHBondContact O-N 3.04Å; Q523-K526 VanDerWaalsContact O-N 3.09Å; Q523-T527 PolarHBondContact O-N 3.4Å; Q523-T527 PolarHBondContact O-OG1 3.33Å |
| 524 | K | 88.1 | Confident | 81.9 | Confident | 154 Ų | 154 | 119.6 Ų | 119.6 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -56.4 | -43.3 | 178.1 | -75.6 | -177.3 | -179.8 | -177 | 0 | 112 | L520 R521 T527 S528 | L520-K524 WeakPolarHBondContact O-CG 3.39Å; L520-K524 PolarHBondContact O-N 2.89Å; R521-K524 PolarHBondContact O-N 3.38Å; K524-T527 WeakPolarHBondContact CA-OG1 3.4Å; K524-T527 PolarHBondContact O-N 3.36Å; K524-T527 PolarHBondContact O-OG1 3.25Å; K524-S528 PolarHBondContact O-N 3.39Å |
| 525 | Q | 85.4 | Confident | 81.4 | Confident | 135 Ų | 135 | 117.9 Ų | 117.9 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.2 | -42.5 | 176.2 | -71.9 | 173.5 | -12.1 | 0 | 0 | 112.4 | R521 Q523 S528 S529 | R521-Q525 WeakPolarHBondContact O-CG 3.4Å; R521-Q525 PolarHBondContact O-N 3.36Å; R521-Q525 VanDerWaalsContact O-N 3.12Å; Q523-Q525 VanDerWaalsContact C-N 3.29Å; Q523-Q525 PolarHBondContact O-N 2.95Å; Q525-S528 PolarHBondContact O-N 2.72Å; Q525-S529 PolarHBondContact O-N 3.19Å; Q525-S529 VanDerWaalsContact O-N 3.11Å; Q525-S529 PolarHBondContact O-OG 3.32Å |
| 526 | K | 81.3 | Confident | 80.5 | Confident | 153 Ų | 153 | 117.2 Ų | 117.2 | 67% | 0.665 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -36.8 | 176.1 | -76.1 | -177.1 | 178.2 | -176.3 | 0 | 113.6 | K522 Q523 S529 K530 | K522-K526 WeakPolarHBondContact O-CG 3.17Å; K522-K526 PolarHBondContact O-N 3.09Å; K522-K526 VanDerWaalsContact O-N 3.15Å; Q523-K526 PolarHBondContact O-N 3.04Å; Q523-K526 VanDerWaalsContact O-N 3.09Å; K526-S529 WeakPolarHBondContact CA-OG 3.33Å; K526-S529 PolarHBondContact O-OG 3.45Å; K526-K530 PolarHBondContact O-N 3.28Å |
| 527 | T | 75.1 | Confident | 79.9 | Confident | 81 Ų | 81 | 121.1 Ų | 121.1 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.1 | -33.3 | 175.7 | 36.8 | 0 | 0 | 0 | 0 | 112.8 | Q523 K524 | Q523-T527 PolarHBondContact O-N 3.4Å; Q523-T527 PolarHBondContact O-OG1 3.33Å; K524-T527 WeakPolarHBondContact CA-OG1 3.4Å; K524-T527 PolarHBondContact O-N 3.36Å; K524-T527 PolarHBondContact O-OG1 3.25Å |
| 528 | S | 70.5 | Confident | 79.1 | Confident | 83 Ų | 83 | 125.3 Ų | 125.3 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.8 | -39 | 175.8 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | K524 Q525 K530 K531 | K524-S528 PolarHBondContact O-N 3.39Å; Q525-S528 PolarHBondContact O-N 2.72Å; S528-K530 VanDerWaalsContact C-N 3.31Å; S528-K530 PolarHBondContact O-N 3.49Å; S528-K531 PolarHBondContact O-N 3.35Å |
| 529 | S | 66.4 | Low | 78 | Confident | 73 Ų | 73 | 131.1 Ų | 131.1 | 51% | 0.51 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | -10.6 | -180 | 39.3 | 0 | 0 | 0 | 0 | 114.6 | Q525 K526 T532 | Q525-S529 PolarHBondContact O-N 3.19Å; Q525-S529 VanDerWaalsContact O-N 3.11Å; Q525-S529 PolarHBondContact O-OG 3.32Å; K526-S529 WeakPolarHBondContact CA-OG 3.33Å; K526-S529 PolarHBondContact O-OG 3.45Å; S529-T532 PolarHBondContact O-OG1 3.26Å |
| 530 | K | 60.3 | Low | 76.8 | Confident | 186 Ų | 186 | 132.9 Ų | 132.9 | 81% | 0.809 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -9.8 | 171.6 | -80.7 | -173.7 | 176.3 | -174.6 | 0 | 114 | K526 S528 | K526-K530 PolarHBondContact O-N 3.28Å; S528-K530 VanDerWaalsContact C-N 3.31Å; S528-K530 PolarHBondContact O-N 3.49Å |
| 531 | K | 55.8 | Low | 75.5 | Confident | 197 Ų | 197 | 136.3 Ų | 136.3 | 86% | 0.857 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -13.4 | 179.7 | -77 | -173.3 | 174.8 | -174.3 | 0 | 113.3 | S528 | S528-K531 PolarHBondContact O-N 3.35Š|
| 532 | T | 47.4 | Very low | 73.9 | Confident | 165 Ų | 165 | 133.8 Ų | 133.8 | 100% | 1.012 | 67% | 0.666 | S | S | * | * | trans | -91.1 | 0 | 160.2 | 45.1 | 0 | 0 | 0 | 0 | 109 | S529 | S529-T532 PolarHBondContact O-OG1 3.26Š|
Retrieved 532 of 532 residues in 843.3 ms
(Link to these results)