| 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 | 47 | Very low | 54.4 | Low | 190 Ų | 190 | 124.3 Ų | 124.3 | 94% | 0.936 | 61% | 0.605 | S | S | * | * | 0 | -48.7 | 0 | -141 | 150.2 | 71.5 | 0 | 0 | 111.9 | L4 L5 | M1-L4 PolarHBondContact O-N 3.2Å; M1-L5 PolarHBondContact O-N 3.14Å | |||
| 2 | W | 49.9 | Very low | 52.9 | Low | 221 Ų | 221 | 124.2 Ų | 124.2 | 84% | 0.837 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 178.9 | -140.7 | 32.6 | 0 | 0 | 0 | 114.5 | L5 L6 | W2-L5 PolarHBondContact O-N 3.49Å; W2-L6 PolarHBondContact O-N 2.7Å |
| 3 | L | 60.3 | Low | 51.5 | Low | 148 Ų | 148 | 129.8 Ų | 129.8 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69 | -29.7 | 173.6 | -75.3 | 159.5 | 0 | 0 | 0 | 113.7 | S7 | L3-S7 VanDerWaalsContact O-CB 3.27Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.48Å |
| 4 | L | 58 | Low | 50.4 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.9 | -39 | 174.7 | -91.8 | 150.5 | 0 | 0 | 0 | 111.1 | M1 S7 L8 | M1-L4 PolarHBondContact O-N 3.2Å; L4-S7 PolarHBondContact O-N 3.15Å; L4-L8 WeakPolarHBondContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CD1 3.37Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.34Å |
| 5 | L | 61 | Low | 49.2 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.5 | -41.7 | 170.9 | -99.1 | 130.4 | 0 | 0 | 0 | 111.9 | M1 W2 S7 L8 I9 | M1-L5 PolarHBondContact O-N 3.14Å; W2-L5 PolarHBondContact O-N 3.49Å; L5-S7 PolarHBondContact O-N 3.1Å; L5-L8 PolarHBondContact O-N 3.34Å; L5-I9 HydrophobicContact CD2-CD1 4.29Å; L5-I9 WeakPolarHBondContact O-CB 3.41Å; L5-I9 WeakPolarHBondContact O-CD1 3.33Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 3.17Å |
| 6 | L | 66.4 | Low | 48.2 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 174.7 | -123.4 | 97.7 | 0 | 0 | 0 | 111.9 | W2 I9 L10 | W2-L6 PolarHBondContact O-N 2.7Å; L6-I9 PolarHBondContact O-N 3.18Å; L6-L10 HydrophobicContact CD2-CD1 4.07Å; L6-L10 HydrophobicContact CG-CD1 4.4Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 WeakPolarHBondContact O-CD1 3.17Å; L6-L10 PolarHBondContact O-N 3.2Å |
| 7 | S | 61.2 | Low | 47.4 | Very low | 59 Ų | 59 | 126 Ų | 126 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.4 | -39 | 173.8 | 165.5 | 0 | 0 | 0 | 0 | 112.5 | L3 L4 L5 R11 | L3-S7 VanDerWaalsContact O-CB 3.27Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.48Å; L4-S7 PolarHBondContact O-N 3.15Å; L5-S7 PolarHBondContact O-N 3.1Å; S7-R11 WeakPolarHBondContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.44Å; S7-R11 PolarHBondContact O-N 2.71Å |
| 8 | L | 53.1 | Low | 46.9 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 59% | 0.586 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.4 | -36.6 | 177.3 | -82.7 | 156.8 | 0 | 0 | 0 | 111.7 | L4 L5 H12 | L4-L8 WeakPolarHBondContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CD1 3.37Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.34Å; L5-L8 PolarHBondContact O-N 3.34Å; L8-H12 VanDerWaalsContact O-CB 3.32Å; L8-H12 WeakPolarHBondContact O-CB 3.34Å; L8-H12 PolarHBondContact O-N 3.22Å |
| 9 | I | 53.2 | Low | 46.9 | Very low | 85 Ų | 85 | 123.2 Ų | 123.2 | 44% | 0.436 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.1 | -40.8 | 176.3 | -66 | 162.8 | 0 | 0 | 0 | 110.8 | L5 L6 H12 W13 | L5-I9 HydrophobicContact CD2-CD1 4.29Å; L5-I9 WeakPolarHBondContact O-CB 3.41Å; L5-I9 WeakPolarHBondContact O-CD1 3.33Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 3.17Å; L6-I9 PolarHBondContact O-N 3.18Å; I9-H12 PolarHBondContact O-N 3.28Å; I9-W13 WeakPolarHBondContact O-CB 3.25Å; I9-W13 PolarHBondContact O-N 3.2Å |
| 10 | L | 48.2 | Very low | 47.4 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.6 | -38.1 | 172.8 | -98.8 | 112.6 | 0 | 0 | 0 | 111.9 | L6 W13 I14 | L6-L10 HydrophobicContact CD2-CD1 4.07Å; L6-L10 HydrophobicContact CG-CD1 4.4Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 WeakPolarHBondContact O-CD1 3.17Å; L6-L10 PolarHBondContact O-N 3.2Å; L10-W13 PolarHBondContact O-N 2.86Å; L10-I14 WeakPolarHBondContact O-CB 3.49Å; L10-I14 WeakPolarHBondContact O-CD1 3.4Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.7Å |
| 11 | R | 40.3 | Very low | 48.4 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.4 | -48.3 | 169.4 | -83.4 | -177.1 | 175.5 | -119.5 | -0.6 | 110.1 | S7 W13 I14 Y15 | S7-R11 WeakPolarHBondContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.44Å; S7-R11 PolarHBondContact O-N 2.71Å; R11-W13 VanDerWaalsContact C-N 3.3Å; R11-W13 PolarHBondContact O-N 3.37Å; R11-I14 PolarHBondContact O-N 3.28Å; R11-I14 VanDerWaalsContact O-N 3.12Å; R11-Y15 HydrophobicContact CB-CD2 4.26Å; R11-Y15 HydrophobicContact CB-CE2 4.46Å; R11-Y15 WeakPolarHBondContact O-CB 3.39Å; R11-Y15 WeakPolarHBondContact O-CD2 3.15Å; R11-Y15 PolarHBondContact O-N 3.01Å |
| 12 | H | 36.6 | Very low | 48.8 | Very low | 123 Ų | 123 | 108.6 Ų | 108.6 | 57% | 0.569 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 179.5 | -156.1 | 51.4 | 0 | 0 | 0 | 112.4 | L8 I9 Y15 T16 | L8-H12 VanDerWaalsContact O-CB 3.32Å; L8-H12 WeakPolarHBondContact O-CB 3.34Å; L8-H12 PolarHBondContact O-N 3.22Å; I9-H12 PolarHBondContact O-N 3.28Å; H12-Y15 CarbonylContact O-C 3.03Å; H12-Y15 PolarHBondContact O-N 3.3Å; H12-T16 WeakPolarHBondContact O-CB 3.16Å; H12-T16 WeakPolarHBondContact O-CG2 3.34Å; H12-T16 PolarHBondContact O-N 3.25Å; H12-T16 PolarHBondContact O-OG1 3.26Å; H12-T16 VanDerWaalsContact O-OG1 3.11Å |
| 13 | W | 34.3 | Very low | 48.9 | Very low | 197 Ų | 197 | 101.9 Ų | 101.9 | 75% | 0.746 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.2 | -25.6 | 176.6 | -82 | 58.1 | 0 | 0 | 0 | 114.3 | I9 L10 R11 T16 | I9-W13 WeakPolarHBondContact O-CB 3.25Å; I9-W13 PolarHBondContact O-N 3.2Å; L10-W13 PolarHBondContact O-N 2.86Å; R11-W13 VanDerWaalsContact C-N 3.3Å; R11-W13 PolarHBondContact O-N 3.37Å; W13-T16 WeakPolarHBondContact CA-OG1 3.39Å; W13-T16 PolarHBondContact O-OG1 3.35Å |
| 14 | I | 35.8 | Very low | 48.5 | Very low | 126 Ų | 126 | 96.4 Ų | 96.4 | 65% | 0.646 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -79.8 | -27.6 | 171.2 | -65 | 163.4 | 0 | 0 | 0 | 110.8 | L10 R11 | L10-I14 WeakPolarHBondContact O-CB 3.49Å; L10-I14 WeakPolarHBondContact O-CD1 3.4Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.7Å; R11-I14 PolarHBondContact O-N 3.28Å; R11-I14 VanDerWaalsContact O-N 3.12Å |
| 15 | Y | 33 | Very low | 48.6 | Very low | 128 Ų | 128 | 93.3 Ų | 93.3 | 50% | 0.502 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -87.7 | -17.2 | 176.9 | -80.4 | -76.6 | 0 | 0 | 0 | 113.8 | R11 H12 V17 E18 | R11-Y15 HydrophobicContact CB-CD2 4.26Å; R11-Y15 HydrophobicContact CB-CE2 4.46Å; R11-Y15 WeakPolarHBondContact O-CB 3.39Å; R11-Y15 WeakPolarHBondContact O-CD2 3.15Å; R11-Y15 PolarHBondContact O-N 3.01Å; H12-Y15 CarbonylContact O-C 3.03Å; H12-Y15 PolarHBondContact O-N 3.3Å; Y15-V17 PolarHBondContact O-N 2.84Å; Y15-E18 WeakPolarHBondContact O-CG 3.3Å; Y15-E18 PolarHBondContact O-N 2.59Å |
| 16 | T | 33.5 | Very low | 48.9 | Very low | 73 Ų | 73 | 89.2 Ų | 89.2 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | trans | -84.5 | 45.3 | 175 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | H12 W13 | H12-T16 WeakPolarHBondContact O-CB 3.16Å; H12-T16 WeakPolarHBondContact O-CG2 3.34Å; H12-T16 PolarHBondContact O-N 3.25Å; H12-T16 PolarHBondContact O-OG1 3.26Å; H12-T16 VanDerWaalsContact O-OG1 3.11Å; W13-T16 WeakPolarHBondContact CA-OG1 3.39Å; W13-T16 PolarHBondContact O-OG1 3.35Å | ||
| 17 | V | 34.6 | Very low | 49.1 | Very low | 128 Ų | 128 | 89.4 Ų | 89.4 | 78% | 0.776 | 48% | 0.484 | S | S | * | . | trans | -108.9 | 27.8 | 147.7 | -165.6 | 0 | 0 | 0 | 0 | 108.5 | Y15 | Y15-V17 PolarHBondContact O-N 2.84Š| ||
| 18 | E | 37.4 | Very low | 50 | Low | 166 Ų | 166 | 88.3 Ų | 88.3 | 78% | 0.776 | 48% | 0.476 | S | S | * | . | trans | -68.9 | 118.2 | 158.3 | -82.1 | 174 | 167.6 | 0 | 0 | 108.2 | Y15 | Y15-E18 WeakPolarHBondContact O-CG 3.3Å; Y15-E18 PolarHBondContact O-N 2.59Å | ||
| 19 | G | 46.6 | Very low | 51.4 | Low | 33 Ų | 33 | 83 Ų | 83 | 34% | 0.34 | 45% | 0.449 | S | S | . | . | cis | -165.6 | 122.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | A23 | G19-A23 VanDerWaalsContact O-CB 3.27Å; G19-A23 WeakPolarHBondContact O-CB 3.44Å | ||
| 20 | S | 57 | Low | 53 | Low | 73 Ų | 73 | 80.7 Ų | 80.7 | 51% | 0.51 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -89 | -27.7 | 174.1 | 162.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 21 | C | 68.3 | Low | 54.7 | Low | 3 Ų | 3 | 80.6 Ų | 80.6 | 2% | 0.02 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -35.6 | -177.5 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | C39 | C21-C39 WeakPolarHBondContact CA-SG 3.25Å; C21-C39 HydrophobicContact CB-CB 3.82Å; C21-C39 WeakPolarHBondContact CB-SG 3.47Å; C21-C39 WeakPolarHBondContact SG-CA 3.42Å; C21-C39 WeakPolarHBondContact SG-CB 3.39Å; C21-C39 CovalentContact SG-SG 2.03Å; C21-C39 PolarHBondContact SG-SG 3.07Å |
| 22 | S | 56.8 | Low | 56.8 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 38% | 0.378 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -12.1 | -174.2 | 21.1 | 0 | 0 | 0 | 0 | 113.7 | D58 | S22-D58 PolarHBondContact OG-OD1 3.35Å; S22-D58 VanDerWaalsContact OG-OD1 3.11Å |
| 23 | A | 51 | Low | 59.2 | Low | 79 Ų | 79 | 67.6 Ų | 67.6 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -23.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G19 | G19-A23 VanDerWaalsContact O-CB 3.27Å; G19-A23 WeakPolarHBondContact O-CB 3.44Å |
| 24 | A | 53.2 | Low | 61.6 | Low | 34 Ų | 34 | 63 Ų | 63 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -98.5 | 117.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | A26 L35 | A24-A26 PolarHBondContact O-N 3.45Å; A24-L35 HydrophobicContact CB-CD1 3.76Å; A24-L35 HydrophobicContact CB-CD2 3.54Å; A24-L35 HydrophobicContact CB-CG 4.3Å |
| 25 | S | 58.5 | Low | 63.8 | Low | 54 Ų | 54 | 59.9 Ų | 59.9 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | trans | -70.5 | 59 | -177 | -44.1 | 0 | 0 | 0 | 0 | 112.3 | V27 | S25-V27 VanDerWaalsContact O-CG2 3.28Å; S25-V27 WeakPolarHBondContact O-CG2 3.19Å; S25-V27 PolarHBondContact O-N 3.46Å; S25-V27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | A | 67.5 | Low | 66.2 | Low | 6 Ų | 6 | 54.9 Ų | 54.9 | 5% | 0.05 | 34% | 0.335 | C | S | . | . | trans | -57.2 | 119.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A24 E31 C32 L35 C57 | A24-A26 PolarHBondContact O-N 3.45Å; A26-E31 HydrophobicContact CB-CB 4.11Å; A26-C32 HydrophobicContact CB-CB 3.89Å; A26-L35 HydrophobicContact CB-CD1 3.92Å; A26-C57 HydrophobicContact CB-CB 4.19Å | ||
| 27 | V | 71.4 | Confident | 68.7 | Low | 95 Ų | 95 | 52.7 Ų | 52.7 | 58% | 0.576 | 32% | 0.322 | S | S | * | . | trans | -93 | -23.5 | -175.4 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | S25 E31 | S25-V27 VanDerWaalsContact O-CG2 3.28Å; S25-V27 WeakPolarHBondContact O-CG2 3.19Å; S25-V27 PolarHBondContact O-N 3.46Å; S25-V27 VanDerWaalsContact O-N 3.13Å; V27-E31 PolarHBondContact N-OE2 3.26Å; V27-E31 VanDerWaalsContact N-OE2 3.16Å | ||
| 28 | S | 78.7 | Confident | 71.2 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -116.7 | 159.2 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | D30 E31 C32 | S28-D30 VanDerWaalsContact C-N 3.35Å; S28-D30 PolarHBondContact O-N 2.85Å; S28-E31 PolarHBondContact N-OE2 3.33Å; S28-E31 WeakPolarHBondContact OG-CB 3.47Å; S28-E31 VanDerWaalsContact OG-CD 3.23Å; S28-E31 WeakPolarHBondContact OG-CG 3.39Å; S28-E31 PolarHBondContact OG-N 3.09Å; S28-E31 PolarHBondContact OG-OE2 2.95Å; S28-C32 PolarHBondContact O-N 3.06Å; S28-C32 VanDerWaalsContact O-N 3.11Å |
| 29 | C | 84.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | C32 L33 W41 C451 C472 | C29-C32 WeakPolarHBondContact O-CB 3.19Å; C29-C32 PolarHBondContact O-N 2.9Å; C29-L33 WeakPolarHBondContact O-CG 3.41Å; C29-L33 PolarHBondContact O-N 3.41Å; C29-W41 HydrophobicContact CB-CB 4.31Å; C29-W41 HydrophobicContact CB-CD2 4.02Å; C29-W41 HydrophobicContact CB-CG 3.75Å; C29-W41 WeakPolarHBondContact SG-CB 3.38Å; C29-C451 HydrophobicContact CB-CB 3.85Å; C29-C451 WeakPolarHBondContact CB-SG 3.34Å; C29-C451 WeakPolarHBondContact SG-CB 3.4Å; C29-C451 CovalentContact SG-SG 2.01Å; C29-C451 PolarHBondContact SG-SG 3.14Å; C29-C472 HydrophobicContact CB-CB 4.05Å |
| 30 | D | 86.3 | Confident | 75.6 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | -177 | -67.8 | 4.3 | 0 | 0 | 0 | 111.7 | S28 L33 Q34 S450 C451 | S28-D30 VanDerWaalsContact C-N 3.35Å; S28-D30 PolarHBondContact O-N 2.85Å; D30-L33 PolarHBondContact O-N 3.34Å; D30-Q34 WeakPolarHBondContact O-CG 3.33Å; D30-Q34 PolarHBondContact O-N 3.01Å; D30-Q34 PolarHBondContact O-NE2 3.47Å; D30-S450 WeakPolarHBondContact OD1-CA 3.48Å; D30-S450 PolarHBondContact OD2-OG 2.89Å; D30-C451 PolarHBondContact OD1-N 2.76Å |
| 31 | E | 82.9 | Confident | 77.2 | Confident | 96 Ų | 96 | 39.7 Ų | 39.7 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -43 | 172.4 | -74.9 | 167.6 | 170 | 0 | 0 | 111.4 | A26 V27 S28 L33 Q34 L35 | A26-E31 HydrophobicContact CB-CB 4.11Å; V27-E31 PolarHBondContact N-OE2 3.26Å; V27-E31 VanDerWaalsContact N-OE2 3.16Å; S28-E31 PolarHBondContact N-OE2 3.33Å; S28-E31 WeakPolarHBondContact OG-CB 3.47Å; S28-E31 VanDerWaalsContact OG-CD 3.23Å; S28-E31 WeakPolarHBondContact OG-CG 3.39Å; S28-E31 PolarHBondContact OG-N 3.09Å; S28-E31 PolarHBondContact OG-OE2 2.95Å; E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 PolarHBondContact O-N 3.37Å; E31-Q34 PolarHBondContact O-N 3.4Å; E31-Q34 VanDerWaalsContact O-N 3.16Å; E31-L35 PolarHBondContact O-N 2.81Å |
| 32 | C | 85.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 178.2 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | A26 S28 C29 Q34 L35 C39 G40 W41 C57 | A26-C32 HydrophobicContact CB-CB 3.89Å; S28-C32 PolarHBondContact O-N 3.06Å; S28-C32 VanDerWaalsContact O-N 3.11Å; C29-C32 WeakPolarHBondContact O-CB 3.19Å; C29-C32 PolarHBondContact O-N 2.9Å; C32-Q34 PolarHBondContact O-N 3.19Å; C32-L35 PolarHBondContact O-N 2.78Å; C32-C39 WeakPolarHBondContact O-CB 3.37Å; C32-G40 PolarHBondContact SG-O 2.87Å; C32-W41 HydrophobicContact CB-CB 4.49Å; C32-W41 HydrophobicContact CB-CE3 3.72Å; C32-W41 HydrophobicContact CB-CZ3 4.38Å; C32-C57 VanDerWaalsContact CA-SG 3.51Å; C32-C57 HydrophobicContact CB-CB 3.69Å; C32-C57 WeakPolarHBondContact CB-SG 3.36Å; C32-C57 WeakPolarHBondContact SG-CA 3.28Å; C32-C57 WeakPolarHBondContact SG-CB 3.42Å; C32-C57 CovalentContact SG-SG 2.03Å; C32-C57 PolarHBondContact SG-SG 3.27Å |
| 33 | L | 86.3 | Confident | 79.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -26.4 | -179.1 | -68.1 | -172.7 | 0 | 0 | 0 | 113.2 | C29 D30 E31 P76 R110 C451 | C29-L33 WeakPolarHBondContact O-CG 3.41Å; C29-L33 PolarHBondContact O-N 3.41Å; D30-L33 PolarHBondContact O-N 3.34Å; E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 PolarHBondContact O-N 3.37Å; L33-P76 HydrophobicContact CD1-CG 3.64Å; L33-P76 HydrophobicContact CD2-CG 4.28Å; L33-R110 VanDerWaalsContact CA-NH2 3.34Å; L33-R110 PolarHBondContact O-NE 3.29Å; L33-R110 VanDerWaalsContact O-NE 3.14Å; L33-R110 PolarHBondContact O-NH2 2.99Å; L33-C451 WeakPolarHBondContact CD1-SG 3.22Å |
| 34 | Q | 84.4 | Confident | 81 | Confident | 101 Ų | 101 | 36.5 Ų | 36.5 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -82.4 | -18.5 | -179.7 | -69.8 | 176.5 | 53 | 0 | 0 | 114 | D30 E31 C32 C423 | D30-Q34 WeakPolarHBondContact O-CG 3.33Å; D30-Q34 PolarHBondContact O-N 3.01Å; D30-Q34 PolarHBondContact O-NE2 3.47Å; E31-Q34 PolarHBondContact O-N 3.4Å; E31-Q34 VanDerWaalsContact O-N 3.16Å; C32-Q34 PolarHBondContact O-N 3.19Å; Q34-C423 VanDerWaalsContact CD-SG 3.57Å; Q34-C423 VanDerWaalsContact CG-SG 3.55Å |
| 35 | L | 82.4 | Confident | 81.8 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 31% | 0.314 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.6 | -45.7 | -178.6 | -68.9 | 178.1 | 0 | 0 | 0 | 112.9 | A24 A26 E31 C32 | A24-L35 HydrophobicContact CB-CD1 3.76Å; A24-L35 HydrophobicContact CB-CD2 3.54Å; A24-L35 HydrophobicContact CB-CG 4.3Å; A26-L35 HydrophobicContact CB-CD1 3.92Å; E31-L35 PolarHBondContact O-N 2.81Å; C32-L35 PolarHBondContact O-N 2.78Å |
| 36 | S | 83.4 | Confident | 82.4 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 16% | 0.161 | 23% | 0.231 | C | C | . | . | trans | -163.3 | 149.2 | 180 | 168.7 | 0 | 0 | 0 | 0 | 109.8 | H38 C39 R110 | S36-H38 PolarHBondContact O-N 3.36Å; S36-H38 PolarHBondContact OG-N 3.03Å; S36-C39 PolarHBondContact O-N 2.96Å; S36-C39 VanDerWaalsContact O-N 3.09Å; S36-R110 VanDerWaalsContact O-CZ 3.3Å; S36-R110 PolarHBondContact O-NH2 2.85Å | ||
| 37 | P | 86.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 45 Ų | 45 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13 | 175 | 27.2 | -38.2 | 0 | 0 | 0 | 114.1 | R110 | P37-R110 PolarHBondContact O-NH1 2.97Š|
| 38 | H | 87 | Confident | 81.9 | Confident | 128 Ų | 128 | 42.3 Ų | 42.3 | 59% | 0.593 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -7.1 | 179.1 | -58.3 | -57.7 | 0 | 0 | 0 | 114.1 | S36 | S36-H38 PolarHBondContact O-N 3.36Å; S36-H38 PolarHBondContact OG-N 3.03Å |
| 39 | C | 87.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 144.3 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 111 | C21 C32 S36 D58 F75 R110 | C21-C39 WeakPolarHBondContact CA-SG 3.25Å; C21-C39 HydrophobicContact CB-CB 3.82Å; C21-C39 WeakPolarHBondContact CB-SG 3.47Å; C21-C39 WeakPolarHBondContact SG-CA 3.42Å; C21-C39 WeakPolarHBondContact SG-CB 3.39Å; C21-C39 CovalentContact SG-SG 2.03Å; C21-C39 PolarHBondContact SG-SG 3.07Å; C32-C39 WeakPolarHBondContact O-CB 3.37Å; S36-C39 PolarHBondContact O-N 2.96Å; S36-C39 VanDerWaalsContact O-N 3.09Å; C39-D58 CarbonylContact C-O 3.53Å; C39-F75 WeakPolarHBondContact O-CD2 3.34Å; C39-F75 VanDerWaalsContact O-CE2 3.3Å; C39-F75 WeakPolarHBondContact O-CE2 3.39Å; C39-R110 PolarHBondContact O-NH1 2.95Å; C39-R110 PolarHBondContact O-NH2 2.91Å |
| 40 | G | 89.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 166.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C32 C57 D58 L63 Q74 | C32-G40 PolarHBondContact SG-O 2.87Å; G40-C57 WeakPolarHBondContact O-CA 3.42Å; G40-D58 PolarHBondContact N-O 2.89Å; G40-D58 PolarHBondContact O-N 2.82Å; G40-D58 VanDerWaalsContact O-N 3.15Å; G40-D58 VanDerWaalsContact O-O 3.12Å; G40-L63 VanDerWaalsContact C-CD1 3.48Å; G40-L63 WeakPolarHBondContact O-CD1 3.19Å; G40-Q74 WeakPolarHBondContact CA-O 3.36Å |
| 41 | W | 89.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.2 | 176.6 | 178.3 | -91.9 | 0 | 0 | 0 | 111.1 | C29 C32 R56 C57 V73 Q74 C472 V474 | C29-W41 HydrophobicContact CB-CB 4.31Å; C29-W41 HydrophobicContact CB-CD2 4.02Å; C29-W41 HydrophobicContact CB-CG 3.75Å; C29-W41 WeakPolarHBondContact SG-CB 3.38Å; C32-W41 HydrophobicContact CB-CB 4.49Å; C32-W41 HydrophobicContact CB-CE3 3.72Å; C32-W41 HydrophobicContact CB-CZ3 4.38Å; W41-R56 WeakPolarHBondContact CA-O 3.43Å; W41-R56 HydrophobicContact CD2-CB 4.13Å; W41-R56 HydrophobicContact CE3-CB 3.93Å; W41-R56 HydrophobicContact CH2-CB 3.66Å; W41-R56 HydrophobicContact CH2-CG 4.47Å; W41-R56 HydrophobicContact CZ2-CB 3.84Å; W41-R56 HydrophobicContact CZ2-CG 4.44Å; W41-R56 HydrophobicContact CZ3-CB 3.7Å; W41-C57 HydrophobicContact CE3-CB 3.84Å; W41-C57 HydrophobicContact CZ3-CB 4.01Å; W41-V73 CarbonylContact O-C 3.52Å; W41-V73 WeakPolarHBondContact O-CA 3.43Å; W41-Q74 HydrophobicContact CB-CB 4.32Å; W41-Q74 PolarHBondContact N-O 3.05Å; W41-Q74 PolarHBondContact O-N 3.38Å; W41-C472 PolarHBondContact NE1-O 3.43Å; W41-V474 HydrophobicContact CH2-CG1 4.3Å; W41-V474 HydrophobicContact CZ2-CG1 3.85Å; W41-V474 HydrophobicContact CZ2-CG2 4.28Å |
| 42 | C | 87.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.2 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | Q44 F47 R56 L63 C68 | C42-Q44 VanDerWaalsContact SG-CB 3.57Å; C42-F47 HydrophobicContact CB-CD1 3.66Å; C42-F47 HydrophobicContact CB-CE1 3.65Å; C42-F47 HydrophobicContact CB-CG 4.15Å; C42-F47 HydrophobicContact CB-CZ 4.16Å; C42-F47 WeakPolarHBondContact SG-CG 3.47Å; C42-R56 PolarHBondContact N-O 3.47Å; C42-R56 PolarHBondContact O-NH1 3.12Å; C42-L63 HydrophobicContact CB-CD1 4.41Å; C42-L63 HydrophobicContact CB-CD2 4.09Å; C42-C68 HydrophobicContact CB-CB 3.91Å; C42-C68 WeakPolarHBondContact CB-SG 3.41Å; C42-C68 WeakPolarHBondContact SG-CB 3.45Å; C42-C68 CovalentContact SG-SG 2.03Å; C42-C68 PolarHBondContact SG-SG 3.41Å |
| 43 | T | 86.1 | Confident | 74.3 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | trans | -87.2 | -1.7 | 178.1 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | E45 Q72 Q74 C453 C472 G473 | T43-E45 PolarHBondContact O-N 2.98Å; T43-Q72 PolarHBondContact N-O 3.17Å; T43-Q72 PolarHBondContact OG1-O 3.27Å; T43-Q72 PolarHBondContact OG1-OE1 3.49Å; T43-Q74 HydrophobicContact CG2-CG 3.73Å; T43-C453 HydrophobicContact CG2-CB 3.98Å; T43-C472 HydrophobicContact CG2-CB 4.17Å; T43-G473 WeakPolarHBondContact O-CA 3.3Å | ||
| 44 | Q | 82.6 | Confident | 72.8 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | trans | -67.8 | 129 | -176.8 | -177.6 | 173.1 | -41.6 | 0 | 0 | 111.8 | C42 N46 F47 R56 G67 Q72 | C42-Q44 VanDerWaalsContact SG-CB 3.57Å; Q44-N46 PolarHBondContact O-N 2.68Å; Q44-F47 HydrophobicContact CB-CB 4.28Å; Q44-F47 VanDerWaalsContact O-CB 3.31Å; Q44-F47 WeakPolarHBondContact O-CB 3.45Å; Q44-F47 PolarHBondContact O-N 3.04Å; Q44-R56 PolarHBondContact O-NH1 2.75Å; Q44-R56 PolarHBondContact O-NH2 3.03Å; Q44-G67 PolarHBondContact NE2-O 3.09Å; Q44-Q72 HydrophobicContact CB-CB 4.15Å; Q44-Q72 HydrophobicContact CB-CG 4.49Å | ||
| 45 | E | 71.1 | Confident | 71.9 | Confident | 96 Ų | 96 | 59 Ų | 59 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -55.6 | -56.2 | -173.7 | -70.3 | 177.8 | 173.9 | 0 | 0 | 113.4 | T43 F47 R56 Q462 Y470 | T43-E45 PolarHBondContact O-N 2.98Å; E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.19Å; E45-F47 VanDerWaalsContact O-N 3.13Å; E45-R56 PolarHBondContact O-NH2 2.98Å; E45-Q462 PolarHBondContact OE1-NE2 3.48Å; E45-Y470 WeakPolarHBondContact CG-OH 3.37Å |
| 46 | N | 69.9 | Low | 71.7 | Confident | 154 Ų | 154 | 56.7 Ų | 56.7 | 82% | 0.824 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -88.2 | 34.3 | -174.3 | -65.4 | -20.2 | 0 | 0 | 0 | 114 | Q44 | Q44-N46 PolarHBondContact O-N 2.68Š|
| 47 | F | 69.4 | Low | 71.8 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -83.9 | -22.1 | -175 | -172.9 | -115.8 | 0 | 0 | 0 | 113.9 | C42 Q44 E45 S55 R56 L63 K66 C68 | C42-F47 HydrophobicContact CB-CD1 3.66Å; C42-F47 HydrophobicContact CB-CE1 3.65Å; C42-F47 HydrophobicContact CB-CG 4.15Å; C42-F47 HydrophobicContact CB-CZ 4.16Å; C42-F47 WeakPolarHBondContact SG-CG 3.47Å; Q44-F47 HydrophobicContact CB-CB 4.28Å; Q44-F47 VanDerWaalsContact O-CB 3.31Å; Q44-F47 WeakPolarHBondContact O-CB 3.45Å; Q44-F47 PolarHBondContact O-N 3.04Å; E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.19Å; E45-F47 VanDerWaalsContact O-N 3.13Å; F47-S55 WeakPolarHBondContact CE1-O 3.37Å; F47-R56 HydrophobicContact CD1-CG 4.23Å; F47-L63 HydrophobicContact CE1-CD2 3.63Å; F47-L63 HydrophobicContact CZ-CB 4.47Å; F47-L63 HydrophobicContact CZ-CD2 3.65Å; F47-K66 HydrophobicContact CE2-CB 3.56Å; F47-K66 HydrophobicContact CZ-CB 3.54Å; F47-K66 HydrophobicContact CZ-CD 4.09Å; F47-K66 HydrophobicContact CZ-CG 4.48Å; F47-C68 HydrophobicContact CD2-CB 3.87Å; F47-C68 HydrophobicContact CE2-CB 3.48Å; F47-C68 VanDerWaalsContact CE2-CB 3.48Å; F47-C68 VanDerWaalsContact CE2-N 3.35Å; F47-C68 HydrophobicContact CZ-CB 3.96Å |
| 48 | T | 59.6 | Low | 71.8 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | trans | -137.2 | 138.7 | -171.1 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | S55 R56 | T48-S55 WeakPolarHBondContact CG2-OG 3.42Å; T48-R56 HydrophobicContact CG2-CG 3.59Å; T48-R56 PolarHBondContact OG1-NH2 2.89Å | ||
| 49 | D | 55.3 | Low | 71.8 | Confident | 134 Ų | 134 | 51 Ų | 51 | 72% | 0.717 | 27% | 0.269 | S | S | * | . | trans | -75.1 | 148.6 | 165.4 | -76.7 | -35.1 | 0 | 0 | 0 | 111 | V51 S52 | D49-V51 PolarHBondContact O-N 2.77Å; D49-S52 PolarHBondContact O-N 2.92Å; D49-S52 PolarHBondContact O-OG 3.2Å | ||
| 50 | W | 48.1 | Very low | 71.8 | Confident | 207 Ų | 207 | 53.2 Ų | 53.2 | 78% | 0.784 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.4 | -25 | -173.5 | 67.5 | -59.6 | 0 | 0 | 0 | 118.4 | ||
| 51 | V | 48.4 | Very low | 71.6 | Confident | 112 Ų | 112 | 58.8 Ų | 58.8 | 68% | 0.679 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -7.1 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 113 | D49 | D49-V51 PolarHBondContact O-N 2.77Š|
| 52 | S | 54.5 | Low | 71.4 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | trans | -131.8 | 49.5 | -162.1 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | D49 S54 S55 | D49-S52 PolarHBondContact O-N 2.92Å; D49-S52 PolarHBondContact O-OG 3.2Å; S52-S54 PolarHBondContact O-N 3.23Å; S52-S54 VanDerWaalsContact O-N 3.16Å; S52-S55 WeakPolarHBondContact O-CB 3.32Å; S52-S55 PolarHBondContact O-N 3.12Å; S52-S55 PolarHBondContact O-OG 3.47Å; S52-S55 PolarHBondContact OG-OG 3.13Å | ||
| 53 | V | 51.8 | Low | 71.4 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -54.3 | -32.8 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | S55 R56 | V53-S55 PolarHBondContact O-N 3.04Å; V53-S55 VanDerWaalsContact O-N 3.15Å; V53-R56 PolarHBondContact O-N 3.27Å |
| 54 | S | 54.1 | Low | 71.4 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -65.6 | -9.4 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 115 | S52 R56 | S52-S54 PolarHBondContact O-N 3.23Å; S52-S54 VanDerWaalsContact O-N 3.16Å; S54-R56 VanDerWaalsContact C-N 3.34Å |
| 55 | S | 65.6 | Low | 71.5 | Confident | 22 Ų | 22 | 67 Ų | 67 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -82.7 | -8 | -179.4 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | F47 T48 S52 V53 | F47-S55 WeakPolarHBondContact CE1-O 3.37Å; T48-S55 WeakPolarHBondContact CG2-OG 3.42Å; S52-S55 WeakPolarHBondContact O-CB 3.32Å; S52-S55 PolarHBondContact O-N 3.12Å; S52-S55 PolarHBondContact O-OG 3.47Å; S52-S55 PolarHBondContact OG-OG 3.13Å; V53-S55 PolarHBondContact O-N 3.04Å; V53-S55 VanDerWaalsContact O-N 3.15Å |
| 56 | R | 79.6 | Confident | 71.9 | Confident | 12 Ų | 12 | 67 Ų | 67 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -76.4 | -24.9 | 175.1 | -66 | -175.3 | 174.4 | -82.2 | -3.9 | 113.9 | W41 C42 Q44 E45 F47 T48 V53 S54 G473 | W41-R56 WeakPolarHBondContact CA-O 3.43Å; W41-R56 HydrophobicContact CD2-CB 4.13Å; W41-R56 HydrophobicContact CE3-CB 3.93Å; W41-R56 HydrophobicContact CH2-CB 3.66Å; W41-R56 HydrophobicContact CH2-CG 4.47Å; W41-R56 HydrophobicContact CZ2-CB 3.84Å; W41-R56 HydrophobicContact CZ2-CG 4.44Å; W41-R56 HydrophobicContact CZ3-CB 3.7Å; C42-R56 PolarHBondContact N-O 3.47Å; C42-R56 PolarHBondContact O-NH1 3.12Å; Q44-R56 PolarHBondContact O-NH1 2.75Å; Q44-R56 PolarHBondContact O-NH2 3.03Å; E45-R56 PolarHBondContact O-NH2 2.98Å; F47-R56 HydrophobicContact CD1-CG 4.23Å; T48-R56 HydrophobicContact CG2-CG 3.59Å; T48-R56 PolarHBondContact OG1-NH2 2.89Å; V53-R56 PolarHBondContact O-N 3.27Å; S54-R56 VanDerWaalsContact C-N 3.34Å; R56-G473 PolarHBondContact NH2-O 2.92Å |
| 57 | C | 84.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115 | 172.2 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | A26 C32 G40 W41 | A26-C57 HydrophobicContact CB-CB 4.19Å; C32-C57 VanDerWaalsContact CA-SG 3.51Å; C32-C57 HydrophobicContact CB-CB 3.69Å; C32-C57 WeakPolarHBondContact CB-SG 3.36Å; C32-C57 WeakPolarHBondContact SG-CA 3.28Å; C32-C57 WeakPolarHBondContact SG-CB 3.42Å; C32-C57 CovalentContact SG-SG 2.03Å; C32-C57 PolarHBondContact SG-SG 3.27Å; G40-C57 WeakPolarHBondContact O-CA 3.42Å; W41-C57 HydrophobicContact CE3-CB 3.84Å; W41-C57 HydrophobicContact CZ3-CB 4.01Å |
| 58 | D | 86 | Confident | 73.4 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.064 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | -179.7 | 173.8 | -144.3 | -19.9 | 0 | 0 | 0 | 110.8 | S22 C39 G40 S62 L63 K66 | S22-D58 PolarHBondContact OG-OD1 3.35Å; S22-D58 VanDerWaalsContact OG-OD1 3.11Å; C39-D58 CarbonylContact C-O 3.53Å; G40-D58 PolarHBondContact N-O 2.89Å; G40-D58 PolarHBondContact O-N 2.82Å; G40-D58 VanDerWaalsContact O-N 3.15Å; G40-D58 VanDerWaalsContact O-O 3.12Å; D58-S62 VanDerWaalsContact CG-OG 3.25Å; D58-S62 PolarHBondContact OD2-OG 2.96Å; D58-L63 HydrophobicContact CB-CD2 3.77Å; D58-L63 HydrophobicContact CB-CG 4Å; D58-K66 IonicContact OD2-NZ 3.61Å; D58-K66 PolarHBondContact OD2-NZ 3.32Å |
| 59 | T | 87.4 | Confident | 74.7 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 29% | 0.288 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 150.9 | 170.8 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | D61 S62 L63 | T59-D61 VanDerWaalsContact C-N 3.26Å; T59-D61 PolarHBondContact O-N 3.01Å; T59-S62 PolarHBondContact O-N 3.04Å; T59-S62 VanDerWaalsContact O-N 3.13Å; T59-S62 VanDerWaalsContact OG1-CB 3.29Å; T59-S62 WeakPolarHBondContact OG1-CB 3.38Å; T59-S62 PolarHBondContact OG1-N 3.3Å; T59-L63 WeakPolarHBondContact O-CG 3.19Å; T59-L63 PolarHBondContact O-N 3.18Å |
| 60 | L | 87.2 | Confident | 76.2 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -51.9 | -45.1 | 179.9 | 177.8 | 61.9 | 0 | 0 | 0 | 112.2 | L63 L64 V73 F75 | L60-L63 PolarHBondContact O-N 3.14Å; L60-L64 HydrophobicContact CD1-CD1 4.24Å; L60-L64 HydrophobicContact CD1-CG 4.4Å; L60-L64 HydrophobicContact CG-CD1 4.25Å; L60-L64 VanDerWaalsContact O-CG 3.28Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.44Å; L60-L64 VanDerWaalsContact O-N 3.14Å; L60-V73 HydrophobicContact CD1-CB 4.4Å; L60-V73 HydrophobicContact CD1-CG1 3.74Å; L60-F75 HydrophobicContact CD2-CD1 4.3Å; L60-F75 HydrophobicContact CD2-CE1 4.43Å |
| 61 | D | 86.2 | Confident | 78 | Confident | 117 Ų | 117 | 60.9 Ų | 60.9 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 179.9 | -63.3 | -41.9 | 0 | 0 | 0 | 111.9 | T59 L63 L64 E65 | T59-D61 VanDerWaalsContact C-N 3.26Å; T59-D61 PolarHBondContact O-N 3.01Å; D61-L63 PolarHBondContact O-N 3.33Å; D61-L64 PolarHBondContact O-N 3.48Å; D61-E65 WeakPolarHBondContact O-CG 3.31Å; D61-E65 PolarHBondContact O-N 2.61Å |
| 62 | S | 84.9 | Confident | 79.7 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 16% | 0.161 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | D58 T59 L64 E65 K66 | D58-S62 VanDerWaalsContact CG-OG 3.25Å; D58-S62 PolarHBondContact OD2-OG 2.96Å; T59-S62 PolarHBondContact O-N 3.04Å; T59-S62 VanDerWaalsContact O-N 3.13Å; T59-S62 VanDerWaalsContact OG1-CB 3.29Å; T59-S62 WeakPolarHBondContact OG1-CB 3.38Å; T59-S62 PolarHBondContact OG1-N 3.3Å; S62-L64 VanDerWaalsContact C-N 3.33Å; S62-L64 PolarHBondContact O-N 2.73Å; S62-E65 PolarHBondContact O-N 3.36Å; S62-K66 WeakPolarHBondContact O-CB 3.27Å; S62-K66 VanDerWaalsContact O-CG 3.25Å; S62-K66 WeakPolarHBondContact O-CG 3.22Å; S62-K66 PolarHBondContact O-N 3Å; S62-K66 VanDerWaalsContact OG-CE 3.25Å; S62-K66 WeakPolarHBondContact OG-CE 3.4Å; S62-K66 PolarHBondContact OG-NZ 3.45Å |
| 63 | L | 86.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 177.4 | -68.4 | -180 | 0 | 0 | 0 | 112.3 | G40 C42 F47 D58 T59 L60 D61 G67 C68 V73 | G40-L63 VanDerWaalsContact C-CD1 3.48Å; G40-L63 WeakPolarHBondContact O-CD1 3.19Å; C42-L63 HydrophobicContact CB-CD1 4.41Å; C42-L63 HydrophobicContact CB-CD2 4.09Å; F47-L63 HydrophobicContact CE1-CD2 3.63Å; F47-L63 HydrophobicContact CZ-CB 4.47Å; F47-L63 HydrophobicContact CZ-CD2 3.65Å; D58-L63 HydrophobicContact CB-CD2 3.77Å; D58-L63 HydrophobicContact CB-CG 4Å; T59-L63 WeakPolarHBondContact O-CG 3.19Å; T59-L63 PolarHBondContact O-N 3.18Å; L60-L63 PolarHBondContact O-N 3.14Å; D61-L63 PolarHBondContact O-N 3.33Å; L63-G67 PolarHBondContact O-N 3.13Å; L63-C68 HydrophobicContact CB-CB 4.28Å; L63-C68 WeakPolarHBondContact O-CB 3.28Å; L63-C68 PolarHBondContact O-N 2.92Å; L63-V73 HydrophobicContact CD1-CG1 4.04Å |
| 64 | L | 86.4 | Confident | 83.2 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 176.8 | -65.4 | 174.8 | 0 | 0 | 0 | 111.4 | L60 D61 S62 K66 G67 C68 R70 V73 | L60-L64 HydrophobicContact CD1-CD1 4.24Å; L60-L64 HydrophobicContact CD1-CG 4.4Å; L60-L64 HydrophobicContact CG-CD1 4.25Å; L60-L64 VanDerWaalsContact O-CG 3.28Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.44Å; L60-L64 VanDerWaalsContact O-N 3.14Å; D61-L64 PolarHBondContact O-N 3.48Å; S62-L64 VanDerWaalsContact C-N 3.33Å; S62-L64 PolarHBondContact O-N 2.73Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.92Å; L64-G67 PolarHBondContact O-N 3.09Å; L64-C68 WeakPolarHBondContact CD2-O 3.39Å; L64-R70 HydrophobicContact CD2-CB 4.17Å; L64-V73 HydrophobicContact CD2-CG2 4.45Å |
| 65 | E | 83.9 | Confident | 84.9 | Confident | 155 Ų | 155 | 57.4 Ų | 57.4 | 72% | 0.724 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.3 | -37.1 | 175.2 | -75.7 | -174.6 | 173.6 | 0 | 0 | 112.4 | D61 S62 G67 | D61-E65 WeakPolarHBondContact O-CG 3.31Å; D61-E65 PolarHBondContact O-N 2.61Å; S62-E65 PolarHBondContact O-N 3.36Å; E65-G67 PolarHBondContact O-N 3.02Å |
| 66 | K | 81.2 | Confident | 86.1 | Confident | 96 Ų | 96 | 58 Ų | 58 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -4.2 | 173.3 | -70.5 | 174.6 | -169.7 | 174.6 | 0 | 113.5 | F47 D58 S62 L64 | F47-K66 HydrophobicContact CE2-CB 3.56Å; F47-K66 HydrophobicContact CZ-CB 3.54Å; F47-K66 HydrophobicContact CZ-CD 4.09Å; F47-K66 HydrophobicContact CZ-CG 4.48Å; D58-K66 IonicContact OD2-NZ 3.61Å; D58-K66 PolarHBondContact OD2-NZ 3.32Å; S62-K66 WeakPolarHBondContact O-CB 3.27Å; S62-K66 VanDerWaalsContact O-CG 3.25Å; S62-K66 WeakPolarHBondContact O-CG 3.22Å; S62-K66 PolarHBondContact O-N 3Å; S62-K66 VanDerWaalsContact OG-CE 3.25Å; S62-K66 WeakPolarHBondContact OG-CE 3.4Å; S62-K66 PolarHBondContact OG-NZ 3.45Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.92Å |
| 67 | G | 83.6 | Confident | 86.6 | Confident | 46 Ų | 46 | 62 Ų | 62 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 19.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q44 L63 L64 E65 | Q44-G67 PolarHBondContact NE2-O 3.09Å; L63-G67 PolarHBondContact O-N 3.13Å; L64-G67 PolarHBondContact O-N 3.09Å; E65-G67 PolarHBondContact O-N 3.02Å |
| 68 | C | 86.4 | Confident | 87 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.034 | 33% | 0.331 | C | S | . | . | trans | -71.6 | 130.2 | 169.7 | -165 | 0 | 0 | 0 | 0 | 109.6 | C42 F47 L63 L64 V73 | C42-C68 HydrophobicContact CB-CB 3.91Å; C42-C68 WeakPolarHBondContact CB-SG 3.41Å; C42-C68 WeakPolarHBondContact SG-CB 3.45Å; C42-C68 CovalentContact SG-SG 2.03Å; C42-C68 PolarHBondContact SG-SG 3.41Å; F47-C68 HydrophobicContact CD2-CB 3.87Å; F47-C68 HydrophobicContact CE2-CB 3.48Å; F47-C68 VanDerWaalsContact CE2-CB 3.48Å; F47-C68 VanDerWaalsContact CE2-N 3.35Å; F47-C68 HydrophobicContact CZ-CB 3.96Å; L63-C68 HydrophobicContact CB-CB 4.28Å; L63-C68 WeakPolarHBondContact O-CB 3.28Å; L63-C68 PolarHBondContact O-N 2.92Å; L64-C68 WeakPolarHBondContact CD2-O 3.39Å; C68-V73 HydrophobicContact CB-CG2 4.1Å; C68-V73 VanDerWaalsContact SG-CG2 3.56Å | ||
| 69 | S | 86.9 | Confident | 87.3 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | trans | -64.6 | 137.9 | 171.5 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | D71 Q72 V73 | S69-D71 PolarHBondContact O-N 3.42Å; S69-D71 VanDerWaalsContact O-N 3.15Å; S69-Q72 CarbonylContact O-C 3.5Å; S69-Q72 WeakPolarHBondContact O-CA 3.24Å; S69-Q72 WeakPolarHBondContact O-CB 3.46Å; S69-Q72 PolarHBondContact O-N 3.4Å; S69-V73 PolarHBondContact O-N 3.02Å | ||
| 70 | R | 86.2 | Confident | 87.6 | Confident | 187 Ų | 187 | 66.8 Ų | 66.8 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -56.7 | -33.5 | -179.1 | -167.9 | 173.1 | -174 | 163.3 | 3.1 | 113 | L64 Q72 V73 | L64-R70 HydrophobicContact CD2-CB 4.17Å; R70-Q72 PolarHBondContact O-N 3.5Å; R70-V73 PolarHBondContact O-N 3.34Å |
| 71 | D | 85.7 | Confident | 88 | Confident | 137 Ų | 137 | 69.7 Ų | 69.7 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -74.6 | -11.4 | 179.8 | -41 | -42.3 | 0 | 0 | 0 | 112.9 | S69 | S69-D71 PolarHBondContact O-N 3.42Å; S69-D71 VanDerWaalsContact O-N 3.15Å |
| 72 | Q | 86 | Confident | 88.5 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -108.6 | 8.5 | 178.1 | -64 | -66 | -57.3 | 0 | 0 | 111.7 | T43 Q44 S69 R70 | T43-Q72 PolarHBondContact N-O 3.17Å; T43-Q72 PolarHBondContact OG1-O 3.27Å; T43-Q72 PolarHBondContact OG1-OE1 3.49Å; Q44-Q72 HydrophobicContact CB-CB 4.15Å; Q44-Q72 HydrophobicContact CB-CG 4.49Å; S69-Q72 CarbonylContact O-C 3.5Å; S69-Q72 WeakPolarHBondContact O-CA 3.24Å; S69-Q72 WeakPolarHBondContact O-CB 3.46Å; S69-Q72 PolarHBondContact O-N 3.4Å; R70-Q72 PolarHBondContact O-N 3.5Å |
| 73 | V | 89.2 | Confident | 89.1 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.1 | 173.2 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | W41 L60 L63 L64 C68 S69 R70 F75 | W41-V73 CarbonylContact O-C 3.52Å; W41-V73 WeakPolarHBondContact O-CA 3.43Å; L60-V73 HydrophobicContact CD1-CB 4.4Å; L60-V73 HydrophobicContact CD1-CG1 3.74Å; L63-V73 HydrophobicContact CD1-CG1 4.04Å; L64-V73 HydrophobicContact CD2-CG2 4.45Å; C68-V73 HydrophobicContact CB-CG2 4.1Å; C68-V73 VanDerWaalsContact SG-CG2 3.56Å; S69-V73 PolarHBondContact O-N 3.02Å; R70-V73 PolarHBondContact O-N 3.34Å; V73-F75 HydrophobicContact CG1-CB 4.16Å; V73-F75 PolarHBondContact O-N 3.19Å |
| 74 | Q | 90.1 | Very high | 89.4 | Confident | 38 Ų | 38 | 75 Ų | 75 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 109.1 | 168.1 | -61.8 | -65.5 | -46.7 | 0 | 0 | 108.5 | G40 W41 T43 C451 C453 | G40-Q74 WeakPolarHBondContact CA-O 3.36Å; W41-Q74 HydrophobicContact CB-CB 4.32Å; W41-Q74 PolarHBondContact N-O 3.05Å; W41-Q74 PolarHBondContact O-N 3.38Å; T43-Q74 HydrophobicContact CG2-CG 3.73Å; Q74-C451 HydrophobicContact CB-CB 4.46Å; Q74-C451 HydrophobicContact CG-CB 4.24Å; Q74-C453 HydrophobicContact CG-CB 4.44Å |
| 75 | F | 89.9 | Confident | 89.7 | Confident | 59 Ų | 59 | 76.3 Ų | 76.3 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | trans | -145.6 | 76.3 | 178.8 | -170.3 | -101 | 0 | 0 | 0 | 109.7 | C39 L60 V73 V77 R110 | C39-F75 WeakPolarHBondContact O-CD2 3.34Å; C39-F75 VanDerWaalsContact O-CE2 3.3Å; C39-F75 WeakPolarHBondContact O-CE2 3.39Å; L60-F75 HydrophobicContact CD2-CD1 4.3Å; L60-F75 HydrophobicContact CD2-CE1 4.43Å; V73-F75 HydrophobicContact CG1-CB 4.16Å; V73-F75 PolarHBondContact O-N 3.19Å; F75-V77 HydrophobicContact CD1-CG2 3.79Å; F75-V77 HydrophobicContact CE1-CG2 3.85Å; F75-V77 PolarHBondContact O-N 3.43Å; F75-R110 VanDerWaalsContact CE2-NH1 3.33Å | ||
| 76 | P | 89.8 | Confident | 90.1 | Very high | 35 Ų | 35 | 74.8 Ų | 74.8 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | trans | -64.6 | 134.5 | 175.3 | 26.7 | -31.5 | 0 | 0 | 0 | 109.8 | L33 L448 | L33-P76 HydrophobicContact CD1-CG 3.64Å; L33-P76 HydrophobicContact CD2-CG 4.28Å; P76-L448 HydrophobicContact CB-CB 4.24Å; P76-L448 HydrophobicContact CB-CD1 4.23Å | ||
| 77 | V | 90.2 | Very high | 90.4 | Very high | 96 Ų | 96 | 73.6 Ų | 73.6 | 58% | 0.582 | 39% | 0.386 | S | S | * | . | trans | -109.8 | 139.4 | -179.5 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | F75 L448 | F75-V77 HydrophobicContact CD1-CG2 3.79Å; F75-V77 HydrophobicContact CE1-CG2 3.85Å; F75-V77 PolarHBondContact O-N 3.43Å; V77-L448 WeakPolarHBondContact O-CD1 3.44Å | ||
| 78 | S | 93.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 73.1 Ų | 73.1 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | trans | -61.2 | 139.6 | 174.6 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | K108 R110 S113 E115 | S78-K108 CarbonylContact C-O 3.08Å; S78-K108 WeakPolarHBondContact CA-O 3.32Å; S78-R110 PolarHBondContact OG-N 3.05Å; S78-S113 WeakPolarHBondContact OG-CB 3.31Å; S78-S113 PolarHBondContact OG-OG 3.47Å; S78-E115 WeakPolarHBondContact CB-OE1 3.46Å | ||
| 79 | E | 92.4 | Very high | 89.8 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.6 | -179 | 60.9 | 174.3 | -169.9 | 0 | 0 | 111.3 | K108 | E79-K108 HydrophobicContact CG-CB 3.89Å; E79-K108 HydrophobicContact CG-CD 4.37Å; E79-K108 HydrophobicContact CG-CG 4.27Å; E79-K108 PolarHBondContact N-O 2.73Å; E79-K108 PolarHBondContact O-N 2.88Å; E79-K108 WeakPolarHBondContact OE1-CD 3.14Å; E79-K108 WeakPolarHBondContact OE1-CE 3.38Å; E79-K108 IonicContact OE1-NZ 3.39Å; E79-K108 PolarHBondContact OE1-NZ 2.91Å |
| 80 | S | 93.8 | Very high | 88.6 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.3 | 169.9 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | L107 | S80-L107 VanDerWaalsContact CB-CD2 3.45Å |
| 81 | Q | 95.8 | Very high | 87.3 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 50% | 0.495 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.6 | 180 | -172.4 | 179.9 | 8.5 | 0 | 0 | 110.5 | L83 M105 S106 | Q81-L83 HydrophobicContact CG-CD2 4.24Å; Q81-M105 CarbonylContact O-C 3.53Å; Q81-M105 VanDerWaalsContact O-CA 3.29Å; Q81-M105 WeakPolarHBondContact O-CA 3.25Å; Q81-M105 WeakPolarHBondContact O-CB 3.45Å; Q81-S106 PolarHBondContact N-O 3.38Å; Q81-S106 PolarHBondContact O-N 2.91Å |
| 82 | I | 96.4 | Very high | 85.7 | Confident | 99 Ų | 99 | 72.7 Ų | 72.7 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 123.2 | 173.2 | -58.3 | 174.9 | 0 | 0 | 0 | 108.8 | D85 P102 | I82-D85 HydrophobicContact CG2-CB 3.79Å; I82-P102 HydrophobicContact CD1-CG 4.48Å; I82-P102 HydrophobicContact CG1-CG 4.47Å; I82-P102 HydrophobicContact CG2-CB 3.65Å; I82-P102 HydrophobicContact CG2-CG 4.29Å |
| 83 | L | 96.6 | Very high | 83.9 | Confident | 84 Ų | 84 | 77.9 Ų | 77.9 | 44% | 0.44 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -34.1 | -178.3 | -60 | 179.9 | 0 | 0 | 0 | 112.2 | Q81 K104 | Q81-L83 HydrophobicContact CG-CD2 4.24Å; L83-K104 HydrophobicContact CB-CB 4.22Å; L83-K104 HydrophobicContact CB-CG 4.14Å; L83-K104 HydrophobicContact CD1-CD 4.49Å; L83-K104 HydrophobicContact CD1-CG 4.16Å; L83-K104 PolarHBondContact N-O 3.28Å |
| 84 | L | 94.4 | Very high | 82 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 121.6 | 177.8 | -173.9 | 64.4 | 0 | 0 | 0 | 110.7 | R86 P102 Q103 K104 | L84-R86 HydrophobicContact CD1-CG 4.34Å; L84-P102 WeakPolarHBondContact O-CB 3.32Å; L84-Q103 HydrophobicContact CD2-CB 4.12Å; L84-Q103 HydrophobicContact CG-CB 4.36Å; L84-Q103 PolarHBondContact O-N 3.07Å; L84-Q103 PolarHBondContact O-OE1 2.64Å; L84-K104 HydrophobicContact CB-CB 3.76Å; L84-K104 PolarHBondContact N-O 2.68Å; L84-K104 PolarHBondContact O-N 2.8Å |
| 85 | D | 92.8 | Very high | 80.1 | Confident | 91 Ų | 91 | 85.8 Ų | 85.8 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | trans | -137.9 | 81.5 | -179.8 | -170.9 | 23.3 | 0 | 0 | 0 | 112.2 | I82 S101 P102 | I82-D85 HydrophobicContact CG2-CB 3.79Å; D85-S101 PolarHBondContact OD1-OG 2.98Å; D85-P102 HydrophobicContact CB-CB 4.18Å | ||
| 86 | R | 91 | Very high | 78.7 | Confident | 123 Ų | 123 | 86.1 Ų | 86.1 | 46% | 0.464 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 136.1 | 170.8 | -60.8 | 177.6 | -175.6 | 177.3 | 1.1 | 109.3 | L84 T98 Q103 | L84-R86 HydrophobicContact CD1-CG 4.34Å; R86-T98 HydrophobicContact CB-CG2 4.28Å; R86-Q103 PolarHBondContact O-NE2 3.01Å |
| 87 | P | 88.3 | Confident | 77.8 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 144.7 | -178.7 | 29.1 | -35.2 | 0 | 0 | 0 | 112 | K90 | P87-K90 HydrophobicContact CG-CB 4.34Å; P87-K90 HydrophobicContact CG-CD 3.92Å; P87-K90 HydrophobicContact CG-CG 4.4Å |
| 88 | L | 87.4 | Confident | 77.5 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 19% | 0.188 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 140.3 | 176 | -60.5 | 175.1 | 0 | 0 | 0 | 111.8 | K90 T98 Q99 K120 Q122 T411 | L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.11Å; L88-T98 WeakPolarHBondContact CA-O 3.46Å; L88-Q99 WeakPolarHBondContact CD2-O 3.39Å; L88-K120 HydrophobicContact CD1-CB 3.85Å; L88-Q122 HydrophobicContact CD1-CB 4Å; L88-T411 HydrophobicContact CD1-CG2 3.83Å |
| 89 | G | 70.8 | Confident | 77.3 | Confident | 42 Ų | 42 | 81.2 Ų | 81.2 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 3.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S97 T98 | G89-S97 WeakPolarHBondContact CA-OG 3.33Å; G89-T98 PolarHBondContact N-O 3.03Å |
| 90 | K | 60.3 | Low | 77.3 | Confident | 143 Ų | 143 | 77 Ų | 77 | 62% | 0.622 | 42% | 0.423 | S | S | * | . | trans | -90.3 | 123.5 | 172.1 | -87.8 | -169.4 | 178.5 | 177.5 | 0 | 111 | P87 L88 T92 | P87-K90 HydrophobicContact CG-CB 4.34Å; P87-K90 HydrophobicContact CG-CD 3.92Å; P87-K90 HydrophobicContact CG-CG 4.4Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.11Å; K90-T92 PolarHBondContact O-N 2.81Å | ||
| 91 | I | 59.2 | Low | 77.3 | Confident | 135 Ų | 135 | 74.8 Ų | 74.8 | 69% | 0.692 | 41% | 0.407 | S | S | * | . | B | Isolated β-bridge | trans | -69.2 | 113.9 | 165.6 | -56.2 | 169.8 | 0 | 0 | 0 | 106.7 | ||
| 92 | T | 52.3 | Low | 77.4 | Confident | 51 Ų | 51 | 70 Ų | 70 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | trans | -82.2 | 163.5 | 171.3 | 52.8 | 0 | 0 | 0 | 0 | 110 | K90 D94 A95 | K90-T92 PolarHBondContact O-N 2.81Å; T92-D94 CarbonylContact O-C 3.49Å; T92-D94 PolarHBondContact O-N 3.06Å; T92-A95 PolarHBondContact O-N 3.15Å; T92-A95 VanDerWaalsContact O-N 3.12Å | ||
| 93 | D | 48.3 | Very low | 77.3 | Confident | 180 Ų | 180 | 66.4 Ų | 66.4 | 96% | 0.963 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -55.6 | -20.1 | -179.8 | -67.3 | -45.2 | 0 | 0 | 0 | 112.8 | ||
| 94 | D | 48.9 | Very low | 77.3 | Confident | 142 Ų | 142 | 66.1 Ų | 66.1 | 76% | 0.759 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -94.3 | 61.4 | 167.7 | -67.4 | -36.6 | 0 | 0 | 0 | 112 | T92 N96 | T92-D94 CarbonylContact O-C 3.49Å; T92-D94 PolarHBondContact O-N 3.06Å; D94-N96 PolarHBondContact O-N 3.05Å |
| 95 | A | 50.8 | Low | 77.4 | Confident | 81 Ų | 81 | 63 Ų | 63 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 47.5 | -11.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | T92 | T92-A95 PolarHBondContact O-N 3.15Å; T92-A95 VanDerWaalsContact O-N 3.12Å |
| 96 | N | 60.5 | Low | 77.6 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 35% | 0.353 | 33% | 0.328 | S | S | . | . | trans | -114.5 | 130.4 | -168.3 | -69.7 | -7.6 | 0 | 0 | 0 | 111.3 | D94 D257 | D94-N96 PolarHBondContact O-N 3.05Å; N96-D257 PolarHBondContact ND2-OD1 3.08Å; N96-D257 PolarHBondContact ND2-OD2 3.13Å | ||
| 97 | S | 70.7 | Confident | 77.8 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 21% | 0.21 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 119.2 | 173.1 | 171.4 | 0 | 0 | 0 | 0 | 109.4 | G89 T124 | G89-S97 WeakPolarHBondContact CA-OG 3.33Å; S97-T124 VanDerWaalsContact OG-CG2 3.22Å; S97-T124 WeakPolarHBondContact OG-CG2 3.15Å |
| 98 | T | 84.3 | Confident | 78.1 | Confident | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | trans | -67.8 | 129.9 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | R86 L88 G89 I100 Q103 D439 | R86-T98 HydrophobicContact CB-CG2 4.28Å; L88-T98 WeakPolarHBondContact CA-O 3.46Å; G89-T98 PolarHBondContact N-O 3.03Å; T98-I100 WeakPolarHBondContact CG2-O 3.49Å; T98-Q103 HydrophobicContact CG2-CG 4.33Å; T98-D439 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 99 | Q | 88.7 | Confident | 78.3 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | trans | -111.2 | -10.1 | -177.6 | -72.1 | -177.2 | 87.9 | 0 | 0 | 114.5 | L88 V121 Q122 T124 Y127 L437 D439 | L88-Q99 WeakPolarHBondContact CD2-O 3.39Å; Q99-V121 WeakPolarHBondContact O-CA 3.4Å; Q99-Q122 WeakPolarHBondContact CB-O 3.5Å; Q99-Q122 WeakPolarHBondContact CG-O 3.49Å; Q99-Q122 PolarHBondContact O-N 3.37Å; Q99-T124 HydrophobicContact CG-CG2 3.76Å; Q99-Y127 VanDerWaalsContact NE2-CD2 3.29Å; Q99-L437 HydrophobicContact CB-CD1 3.94Å; Q99-D439 PolarHBondContact N-OD2 3.33Å | ||
| 100 | I | 92.7 | Very high | 79.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.4 | 172.3 | -166.7 | 166.1 | 0 | 0 | 0 | 111.1 | T98 Q103 V119 K120 V121 P434 D439 L441 | T98-I100 WeakPolarHBondContact CG2-O 3.49Å; I100-Q103 PolarHBondContact O-NE2 3.28Å; I100-V119 HydrophobicContact CD1-CG1 3.64Å; I100-V119 HydrophobicContact CG1-CG1 3.7Å; I100-K120 CarbonylContact C-O 3.58Å; I100-K120 VanDerWaalsContact CA-O 3.32Å; I100-K120 WeakPolarHBondContact CA-O 3.32Å; I100-V121 HydrophobicContact CD1-CG2 4.34Å; I100-V121 HydrophobicContact CG1-CG2 4.15Å; I100-P434 HydrophobicContact CD1-CG 3.99Å; I100-D439 HydrophobicContact CB-CB 4.38Å; I100-D439 HydrophobicContact CG2-CB 3.55Å; I100-L441 HydrophobicContact CD1-CB 4.14Å |
| 101 | S | 94.2 | Very high | 80.6 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 135.7 | 175.3 | 151.2 | 0 | 0 | 0 | 0 | 110.3 | D85 K120 | D85-S101 PolarHBondContact OD1-OG 2.98Å; S101-K120 PolarHBondContact N-O 2.92Å; S101-K120 PolarHBondContact O-N 2.94Å |
| 102 | P | 96.1 | Very high | 81.7 | Confident | 7 Ų | 7 | 39 Ų | 39 | 5% | 0.045 | 23% | 0.231 | C | C | . | . | cis | -70.8 | 176.2 | -6.7 | 30.2 | -33.8 | 0 | 0 | 0 | 112.6 | I82 L84 D85 Q118 L441 | I82-P102 HydrophobicContact CD1-CG 4.48Å; I82-P102 HydrophobicContact CG1-CG 4.47Å; I82-P102 HydrophobicContact CG2-CB 3.65Å; I82-P102 HydrophobicContact CG2-CG 4.29Å; L84-P102 WeakPolarHBondContact O-CB 3.32Å; D85-P102 HydrophobicContact CB-CB 4.18Å; P102-Q118 WeakPolarHBondContact CD-O 3.36Å; P102-L441 HydrophobicContact CB-CD1 4.4Å; P102-L441 HydrophobicContact CG-CD1 3.97Å; P102-L441 HydrophobicContact CG-CD2 4.21Å | ||
| 103 | Q | 94.4 | Very high | 83.4 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | trans | -106.9 | -23.4 | 177.1 | -56.5 | 79.1 | 43.3 | 0 | 0 | 113 | L84 R86 T98 I100 L441 E442 | L84-Q103 HydrophobicContact CD2-CB 4.12Å; L84-Q103 HydrophobicContact CG-CB 4.36Å; L84-Q103 PolarHBondContact O-N 3.07Å; L84-Q103 PolarHBondContact O-OE1 2.64Å; R86-Q103 PolarHBondContact O-NE2 3.01Å; T98-Q103 HydrophobicContact CG2-CG 4.33Å; I100-Q103 PolarHBondContact O-NE2 3.28Å; Q103-L441 WeakPolarHBondContact O-CA 3.38Å; Q103-E442 PolarHBondContact O-N 2.84Å | ||
| 104 | K | 96.9 | Very high | 85.5 | Confident | 78 Ų | 78 | 33 Ų | 33 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.9 | 177.7 | -164.9 | 167.2 | -173.7 | 148.1 | 0 | 112 | L83 L84 E442 | L83-K104 HydrophobicContact CB-CB 4.22Å; L83-K104 HydrophobicContact CB-CG 4.14Å; L83-K104 HydrophobicContact CD1-CD 4.49Å; L83-K104 HydrophobicContact CD1-CG 4.16Å; L83-K104 PolarHBondContact N-O 3.28Å; L84-K104 HydrophobicContact CB-CB 3.76Å; L84-K104 PolarHBondContact N-O 2.68Å; L84-K104 PolarHBondContact O-N 2.8Å; K104-E442 CarbonylContact C-O 3.58Å; K104-E442 WeakPolarHBondContact CA-O 3.43Å; K104-E442 HydrophobicContact CG-CB 4.26Å; K104-E442 IonicContact NZ-OE2 3.39Å; K104-E442 PolarHBondContact NZ-OE2 3.14Å |
| 105 | M | 96.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.7 | 176.9 | 65.7 | -173.7 | -76.1 | 0 | 0 | 112.9 | Q81 L107 F117 L441 E442 V443 E444 | Q81-M105 CarbonylContact O-C 3.53Å; Q81-M105 VanDerWaalsContact O-CA 3.29Å; Q81-M105 WeakPolarHBondContact O-CA 3.25Å; Q81-M105 WeakPolarHBondContact O-CB 3.45Å; M105-L107 HydrophobicContact CE-CD1 4.07Å; M105-L107 HydrophobicContact CE-CD2 3.36Å; M105-L107 HydrophobicContact CE-CG 3.64Å; M105-F117 HydrophobicContact CE-CB 4.01Å; M105-F117 HydrophobicContact CE-CD1 3.48Å; M105-F117 VanDerWaalsContact CE-CD1 3.48Å; M105-F117 HydrophobicContact CE-CD2 3.7Å; M105-F117 HydrophobicContact CE-CE1 3.75Å; M105-F117 HydrophobicContact CE-CE2 3.95Å; M105-F117 HydrophobicContact CE-CG 3.44Å; M105-F117 VanDerWaalsContact CE-CG 3.44Å; M105-F117 HydrophobicContact CE-CZ 3.97Å; M105-F117 HydrophobicContact SD-CD1 4.37Å; M105-F117 HydrophobicContact SD-CD2 3.57Å; M105-F117 VanDerWaalsContact SD-CD2 3.57Å; M105-F117 HydrophobicContact SD-CE1 4.35Å; M105-F117 HydrophobicContact SD-CE2 3.54Å; M105-F117 VanDerWaalsContact SD-CE2 3.54Å; M105-F117 HydrophobicContact SD-CG 4Å; M105-F117 HydrophobicContact SD-CZ 3.95Å; M105-L441 HydrophobicContact CB-CD1 4.38Å; M105-L441 HydrophobicContact CG-CD1 3.86Å; M105-L441 HydrophobicContact SD-CD1 4Å; M105-L441 HydrophobicContact SD-CD2 3.83Å; M105-L441 HydrophobicContact SD-CG 4.23Å; M105-E442 PolarHBondContact N-O 3.41Å; M105-V443 HydrophobicContact CG-CB 4.1Å; M105-V443 HydrophobicContact CG-CG1 3.9Å; M105-V443 HydrophobicContact CG-CG2 3.67Å; M105-V443 WeakPolarHBondContact O-CA 3.35Å; M105-V443 HydrophobicContact SD-CG1 4.43Å; M105-V443 HydrophobicContact SD-CG2 3.87Å; M105-E444 PolarHBondContact O-N 2.93Å |
| 106 | S | 96.8 | Very high | 89.8 | Confident | 16 Ų | 16 | 28 Ų | 28 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.7 | 170.9 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | Q81 E444 | Q81-S106 PolarHBondContact N-O 3.38Å; Q81-S106 PolarHBondContact O-N 2.91Å; S106-E444 CarbonylContact C-O 3.58Å; S106-E444 WeakPolarHBondContact CA-O 3.16Å |
| 107 | L | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.1 | 175.2 | -71.6 | -180 | 0 | 0 | 0 | 108.9 | S80 M105 L109 F117 F430 V443 E444 L445 E446 | S80-L107 VanDerWaalsContact CB-CD2 3.45Å; M105-L107 HydrophobicContact CE-CD1 4.07Å; M105-L107 HydrophobicContact CE-CD2 3.36Å; M105-L107 HydrophobicContact CE-CG 3.64Å; L107-L109 HydrophobicContact CB-CG 4.42Å; L107-F117 HydrophobicContact CD1-CD1 4.37Å; L107-F117 HydrophobicContact CD1-CE1 3.74Å; L107-F117 HydrophobicContact CD1-CZ 4.45Å; L107-F117 HydrophobicContact CD2-CD1 4.26Å; L107-F117 HydrophobicContact CD2-CE1 4.44Å; L107-F430 HydrophobicContact CD1-CZ 4.25Å; L107-V443 HydrophobicContact CB-CG1 4.38Å; L107-V443 HydrophobicContact CD1-CG1 3.49Å; L107-V443 VanDerWaalsContact CD1-CG1 3.49Å; L107-V443 HydrophobicContact CG-CG1 3.75Å; L107-E444 PolarHBondContact N-O 3.11Å; L107-L445 HydrophobicContact CB-CB 4.31Å; L107-L445 HydrophobicContact CB-CD1 4.27Å; L107-L445 HydrophobicContact CB-CG 4.3Å; L107-L445 HydrophobicContact CD1-CD1 4.19Å; L107-L445 CarbonylContact O-C 3.59Å; L107-L445 VanDerWaalsContact O-CA 3.28Å; L107-L445 WeakPolarHBondContact O-CA 3.34Å; L107-E446 PolarHBondContact O-N 3.29Å |
| 108 | K | 94.2 | Very high | 92.6 | Very high | 58 Ų | 58 | 28.8 Ų | 28.8 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113 | 167.4 | -57.7 | -167.7 | -165.2 | 137.8 | 0 | 108.4 | S78 E79 E446 L448 | S78-K108 CarbonylContact C-O 3.08Å; S78-K108 WeakPolarHBondContact CA-O 3.32Å; E79-K108 HydrophobicContact CG-CB 3.89Å; E79-K108 HydrophobicContact CG-CD 4.37Å; E79-K108 HydrophobicContact CG-CG 4.27Å; E79-K108 PolarHBondContact N-O 2.73Å; E79-K108 PolarHBondContact O-N 2.88Å; E79-K108 WeakPolarHBondContact OE1-CD 3.14Å; E79-K108 WeakPolarHBondContact OE1-CE 3.38Å; E79-K108 IonicContact OE1-NZ 3.39Å; E79-K108 PolarHBondContact OE1-NZ 2.91Å; K108-E446 CarbonylContact C-O 3.54Å; K108-E446 WeakPolarHBondContact CA-O 3.47Å; K108-E446 HydrophobicContact CG-CB 4.49Å; K108-L448 HydrophobicContact CB-CD1 3.87Å; K108-L448 HydrophobicContact CB-CD2 4.02Å; K108-L448 HydrophobicContact CB-CG 3.92Å; K108-L448 HydrophobicContact CD-CD2 4.13Å |
| 109 | L | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.8 | -171.7 | -59.9 | -171.2 | 0 | 0 | 0 | 111 | L107 E115 V418 L420 L445 E446 S447 L448 | L107-L109 HydrophobicContact CB-CG 4.42Å; L109-E115 HydrophobicContact CD2-CB 3.52Å; L109-E115 HydrophobicContact CD2-CG 3.18Å; L109-V418 HydrophobicContact CD1-CB 4.31Å; L109-V418 HydrophobicContact CD1-CG1 3.94Å; L109-L420 HydrophobicContact CB-CD1 3.66Å; L109-L420 HydrophobicContact CB-CG 4.24Å; L109-L420 HydrophobicContact CD1-CG 4.31Å; L109-L445 HydrophobicContact CD1-CD1 3.68Å; L109-L445 HydrophobicContact CG-CD1 4.25Å; L109-E446 PolarHBondContact N-O 2.61Å; L109-S447 CarbonylContact O-C 2.96Å; L109-S447 WeakPolarHBondContact O-CA 3.45Å; L109-L448 PolarHBondContact O-N 3.45Å |
| 110 | R | 90.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | trans | -80.9 | 137 | 165.2 | -171.4 | 171 | 177.4 | -179.1 | -1 | 110.2 | L33 S36 P37 C39 F75 S78 G112 S113 | L33-R110 VanDerWaalsContact CA-NH2 3.34Å; L33-R110 PolarHBondContact O-NE 3.29Å; L33-R110 VanDerWaalsContact O-NE 3.14Å; L33-R110 PolarHBondContact O-NH2 2.99Å; S36-R110 VanDerWaalsContact O-CZ 3.3Å; S36-R110 PolarHBondContact O-NH2 2.85Å; P37-R110 PolarHBondContact O-NH1 2.97Å; C39-R110 PolarHBondContact O-NH1 2.95Å; C39-R110 PolarHBondContact O-NH2 2.91Å; F75-R110 VanDerWaalsContact CE2-NH1 3.33Å; S78-R110 PolarHBondContact OG-N 3.05Å; R110-G112 PolarHBondContact O-N 3.49Å; R110-S113 PolarHBondContact N-OG 3.38Å; R110-S113 WeakPolarHBondContact O-CB 3.37Å; R110-S113 PolarHBondContact O-N 2.89Å; R110-S113 PolarHBondContact O-OG 3.32Å | ||
| 111 | P | 88 | Confident | 93.6 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 136.8 | 173.8 | -26.2 | 34.3 | 0 | 0 | 0 | 112.4 | S113 C449 | P111-S113 PolarHBondContact O-N 2.85Å; P111-C449 VanDerWaalsContact CG-SG 3.53Å |
| 112 | G | 83.4 | Confident | 93.5 | Very high | 49 Ų | 49 | 33.5 Ų | 33.5 | 51% | 0.505 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R110 L420 | R110-G112 PolarHBondContact O-N 3.49Å; G112-L420 PolarHBondContact N-O 2.92Å |
| 113 | S | 88.4 | Confident | 93.1 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 12% | 0.119 | 18% | 0.181 | C | C | . | . | trans | -87.2 | 154.2 | 172.1 | 73.9 | 0 | 0 | 0 | 0 | 111.8 | S78 R110 P111 A419 | S78-S113 WeakPolarHBondContact OG-CB 3.31Å; S78-S113 PolarHBondContact OG-OG 3.47Å; R110-S113 PolarHBondContact N-OG 3.38Å; R110-S113 WeakPolarHBondContact O-CB 3.37Å; R110-S113 PolarHBondContact O-N 2.89Å; R110-S113 PolarHBondContact O-OG 3.32Å; P111-S113 PolarHBondContact O-N 2.85Å; S113-A419 WeakPolarHBondContact O-CA 3.45Å; S113-A419 WeakPolarHBondContact O-CB 3.3Å | ||
| 114 | V | 91.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 33.4 Ų | 33.4 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128 | 177.4 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | A419 | V114-A419 HydrophobicContact CB-CB 4.37Å; V114-A419 HydrophobicContact CG1-CB 4.41Å; V114-A419 HydrophobicContact CG2-CB 3.88Å |
| 115 | E | 94.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.9 | 171.5 | -75.9 | -60.7 | 147.9 | 0 | 0 | 110.7 | S78 L109 S417 V418 | S78-E115 WeakPolarHBondContact CB-OE1 3.46Å; L109-E115 HydrophobicContact CD2-CB 3.52Å; L109-E115 HydrophobicContact CD2-CG 3.18Å; E115-S417 CarbonylContact O-C 3.6Å; E115-S417 VanDerWaalsContact O-CA 3.29Å; E115-S417 WeakPolarHBondContact O-CA 3.36Å; E115-V418 PolarHBondContact N-O 3.39Å; E115-V418 PolarHBondContact O-N 2.93Å |
| 116 | T | 95.3 | Very high | 90.9 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.6 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | N415 V416 S417 | T116-N415 HydrophobicContact CG2-CB 4.09Å; T116-V416 VanDerWaalsContact CA-O 3.3Å; T116-V416 WeakPolarHBondContact CA-O 3.36Å; T116-S417 WeakPolarHBondContact CG2-OG 3.49Å; T116-S417 PolarHBondContact OG1-OG 2.78Å |
| 117 | F | 95.6 | Very high | 90.3 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.3 | 175.6 | 58.7 | -89.4 | 0 | 0 | 0 | 111.6 | M105 L107 V119 V416 V418 L432 L441 | M105-F117 HydrophobicContact CE-CB 4.01Å; M105-F117 HydrophobicContact CE-CD1 3.48Å; M105-F117 VanDerWaalsContact CE-CD1 3.48Å; M105-F117 HydrophobicContact CE-CD2 3.7Å; M105-F117 HydrophobicContact CE-CE1 3.75Å; M105-F117 HydrophobicContact CE-CE2 3.95Å; M105-F117 HydrophobicContact CE-CG 3.44Å; M105-F117 VanDerWaalsContact CE-CG 3.44Å; M105-F117 HydrophobicContact CE-CZ 3.97Å; M105-F117 HydrophobicContact SD-CD1 4.37Å; M105-F117 HydrophobicContact SD-CD2 3.57Å; M105-F117 VanDerWaalsContact SD-CD2 3.57Å; M105-F117 HydrophobicContact SD-CE1 4.35Å; M105-F117 HydrophobicContact SD-CE2 3.54Å; M105-F117 VanDerWaalsContact SD-CE2 3.54Å; M105-F117 HydrophobicContact SD-CG 4Å; M105-F117 HydrophobicContact SD-CZ 3.95Å; L107-F117 HydrophobicContact CD1-CD1 4.37Å; L107-F117 HydrophobicContact CD1-CE1 3.74Å; L107-F117 HydrophobicContact CD1-CZ 4.45Å; L107-F117 HydrophobicContact CD2-CD1 4.26Å; L107-F117 HydrophobicContact CD2-CE1 4.44Å; F117-V119 HydrophobicContact CD2-CG2 4.02Å; F117-V119 HydrophobicContact CE2-CG2 3.85Å; F117-V416 HydrophobicContact CD2-CB 4.35Å; F117-V416 HydrophobicContact CE1-CB 4.31Å; F117-V416 HydrophobicContact CE1-CG1 4.28Å; F117-V416 HydrophobicContact CE2-CB 3.89Å; F117-V416 HydrophobicContact CE2-CG1 4.29Å; F117-V416 HydrophobicContact CE2-CG2 4.35Å; F117-V416 HydrophobicContact CZ-CB 3.88Å; F117-V416 HydrophobicContact CZ-CG1 3.83Å; F117-V416 PolarHBondContact N-O 3.4Å; F117-V416 PolarHBondContact O-N 2.96Å; F117-V418 HydrophobicContact CE1-CG2 3.73Å; F117-V418 HydrophobicContact CZ-CG2 4.23Å; F117-L432 HydrophobicContact CE2-CD1 3.75Å; F117-L432 HydrophobicContact CZ-CD1 3.97Å; F117-L441 HydrophobicContact CD2-CD2 4.41Å; F117-L441 HydrophobicContact CE2-CD2 3.95Å |
| 118 | Q | 95.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 45% | 0.453 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.3 | -176.7 | -59.3 | -160.7 | -39 | 0 | 0 | 111.8 | P102 V413 F414 N415 | P102-Q118 WeakPolarHBondContact CD-O 3.36Å; Q118-V413 HydrophobicContact CB-CG1 4.27Å; Q118-F414 CarbonylContact C-O 3.56Å; Q118-F414 WeakPolarHBondContact CA-O 3.05Å; Q118-N415 WeakPolarHBondContact CG-OD1 3.06Å; Q118-N415 PolarHBondContact NE2-OD1 3.09Å |
| 119 | V | 96.8 | Very high | 90 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.9 | 171.6 | -172.4 | 0 | 0 | 0 | 0 | 108.3 | I100 F117 V121 V413 F414 V416 L432 L441 | I100-V119 HydrophobicContact CD1-CG1 3.64Å; I100-V119 HydrophobicContact CG1-CG1 3.7Å; F117-V119 HydrophobicContact CD2-CG2 4.02Å; F117-V119 HydrophobicContact CE2-CG2 3.85Å; V119-V121 HydrophobicContact CG1-CG2 4.38Å; V119-V413 CarbonylContact O-C 3.3Å; V119-V413 WeakPolarHBondContact O-CA 3.43Å; V119-F414 HydrophobicContact CB-CB 4.35Å; V119-F414 PolarHBondContact N-O 3.27Å; V119-F414 PolarHBondContact O-N 3.23Å; V119-V416 HydrophobicContact CG2-CG2 3.94Å; V119-L432 HydrophobicContact CG2-CD1 3.92Å; V119-L441 HydrophobicContact CG1-CD2 4.31Å; V119-L441 HydrophobicContact CG2-CD2 3.52Å |
| 120 | K | 95.4 | Very high | 90.1 | Very high | 83 Ų | 83 | 36 Ų | 36 | 36% | 0.361 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.8 | -178.9 | -57 | 176.8 | -173.5 | 163.9 | 0 | 108.9 | L88 I100 S101 T411 V412 V413 | L88-K120 HydrophobicContact CD1-CB 3.85Å; I100-K120 CarbonylContact C-O 3.58Å; I100-K120 VanDerWaalsContact CA-O 3.32Å; I100-K120 WeakPolarHBondContact CA-O 3.32Å; S101-K120 PolarHBondContact N-O 2.92Å; S101-K120 PolarHBondContact O-N 2.94Å; K120-T411 HydrophobicContact CB-CG2 4.14Å; K120-V412 WeakPolarHBondContact CA-O 3.1Å; K120-V413 HydrophobicContact CG-CG1 4.37Å; K120-V413 HydrophobicContact CG-CG2 4.16Å |
| 121 | V | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.6 | -179.5 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | Q99 I100 V119 I372 T411 V412 F414 P434 L437 | Q99-V121 WeakPolarHBondContact O-CA 3.4Å; I100-V121 HydrophobicContact CD1-CG2 4.34Å; I100-V121 HydrophobicContact CG1-CG2 4.15Å; V119-V121 HydrophobicContact CG1-CG2 4.38Å; V121-I372 HydrophobicContact CB-CD1 4.38Å; V121-I372 HydrophobicContact CB-CG2 3.98Å; V121-I372 HydrophobicContact CG1-CD1 4.03Å; V121-I372 HydrophobicContact CG1-CG2 3.78Å; V121-I372 HydrophobicContact CG2-CG2 4.45Å; V121-T411 WeakPolarHBondContact O-CA 3.41Å; V121-V412 PolarHBondContact N-O 3.01Å; V121-V412 PolarHBondContact O-N 2.62Å; V121-F414 HydrophobicContact CB-CE2 4.35Å; V121-F414 HydrophobicContact CG2-CD2 4.12Å; V121-F414 HydrophobicContact CG2-CE2 3.89Å; V121-P434 HydrophobicContact CB-CG 4.43Å; V121-P434 HydrophobicContact CG1-CB 3.91Å; V121-P434 HydrophobicContact CG1-CG 3.62Å; V121-P434 HydrophobicContact CG2-CG 3.84Å; V121-L437 HydrophobicContact CG1-CD1 4.2Å |
| 122 | Q | 90.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 126.8 | 177.9 | 177.3 | -178.5 | 53.1 | 0 | 0 | 110.3 | L88 Q99 G409 E410 T411 | L88-Q122 HydrophobicContact CD1-CB 4Å; Q99-Q122 WeakPolarHBondContact CB-O 3.5Å; Q99-Q122 WeakPolarHBondContact CG-O 3.49Å; Q99-Q122 PolarHBondContact O-N 3.37Å; Q122-G409 PolarHBondContact NE2-O 2.95Å; Q122-E410 WeakPolarHBondContact CG-O 3.34Å; Q122-T411 PolarHBondContact NE2-OG1 2.9Å |
| 123 | H | 87.3 | Confident | 91.5 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -74.5 | 129.8 | 170.2 | -77 | -56.5 | 0 | 0 | 0 | 111.4 | R369 E371 I372 G409 | H123-R369 PolarHBondContact ND1-NH1 2.04Å; H123-E371 PolarHBondContact NE2-O 3Å; H123-I372 VanDerWaalsContact CD2-CG1 3.45Å; H123-I372 WeakPolarHBondContact CD2-CG1 3.43Å; H123-I372 VanDerWaalsContact NE2-CG1 3.25Å; H123-I372 WeakPolarHBondContact NE2-CG1 3.22Å; H123-G409 PolarHBondContact O-N 3.4Å | ||
| 124 | T | 82.4 | Confident | 91.9 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 13% | 0.129 | 18% | 0.18 | C | C | . | . | trans | -72.2 | 147.2 | 172.6 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | S97 Q99 D126 R369 | S97-T124 VanDerWaalsContact OG-CG2 3.22Å; S97-T124 WeakPolarHBondContact OG-CG2 3.15Å; Q99-T124 HydrophobicContact CG-CG2 3.76Å; T124-D126 VanDerWaalsContact C-N 3.32Å; T124-D126 PolarHBondContact O-N 3.21Å; T124-D126 PolarHBondContact OG1-O 3.39Å; T124-R369 PolarHBondContact O-NH2 3.46Å | ||
| 125 | A | 77.1 | Confident | 92.2 | Very high | 78 Ų | 78 | 28.1 Ų | 28.1 | 65% | 0.645 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -62.6 | -37.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 126 | D | 82.1 | Confident | 92.3 | Very high | 83 Ų | 83 | 25.9 Ų | 25.9 | 44% | 0.444 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -120.7 | 103.9 | 178.7 | -171.3 | 18.4 | 0 | 0 | 0 | 108.7 | T124 T163 S164 | T124-D126 VanDerWaalsContact C-N 3.32Å; T124-D126 PolarHBondContact O-N 3.21Å; T124-D126 PolarHBondContact OG1-O 3.39Å; D126-T163 WeakPolarHBondContact OD1-CA 3.08Å; D126-S164 VanDerWaalsContact CG-OG 3.29Å; D126-S164 PolarHBondContact OD1-N 2.89Å; D126-S164 PolarHBondContact OD1-OG 2.8Å; D126-S164 VanDerWaalsContact OD2-CB 3.25Å; D126-S164 WeakPolarHBondContact OD2-CB 3.32Å; D126-S164 PolarHBondContact OD2-OG 3.46Å |
| 127 | Y | 84.8 | Confident | 92.4 | Very high | 19 Ų | 19 | 22.5 Ų | 22.5 | 8% | 0.075 | 12% | 0.123 | C | C | . | . | trans | -121.1 | 136.6 | 178.3 | -166.1 | -116.3 | 0 | 0 | 0 | 109.5 | Q99 T163 S258 M259 L437 | Q99-Y127 VanDerWaalsContact NE2-CD2 3.29Å; Y127-T163 WeakPolarHBondContact O-CB 3.45Å; Y127-T163 PolarHBondContact O-OG1 2.9Å; Y127-S258 VanDerWaalsContact CE1-C 3.48Å; Y127-M259 HydrophobicContact CD1-CB 3.93Å; Y127-M259 HydrophobicContact CE1-CB 3.99Å; Y127-M259 VanDerWaalsContact CE1-N 3.3Å; Y127-L437 HydrophobicContact CE1-CD2 4.15Å | ||
| 128 | P | 90.9 | Very high | 92.3 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 19% | 0.188 | 12% | 0.12 | C | C | . | . | trans | -62 | 142.2 | -180 | -22.1 | 34.1 | 0 | 0 | 0 | 111.9 | N165 D257 S258 M259 | P128-N165 WeakPolarHBondContact CA-O 3.39Å; P128-N165 HydrophobicContact CB-CB 4.18Å; P128-N165 HydrophobicContact CG-CB 4.41Å; P128-D257 WeakPolarHBondContact CG-O 3.5Å; P128-S258 CarbonylContact O-C 3.46Å; P128-S258 VanDerWaalsContact O-CA 3.31Å; P128-S258 WeakPolarHBondContact O-CA 3.43Å; P128-M259 PolarHBondContact O-N 3.07Å | ||
| 129 | V | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.3 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | M159 T163 N165 F166 Q167 R255 M259 L261 Y365 | V129-M159 HydrophobicContact CG1-CE 4.07Å; V129-T163 HydrophobicContact CB-CG2 4.08Å; V129-T163 HydrophobicContact CG2-CG2 3.81Å; V129-N165 PolarHBondContact N-O 2.96Å; V129-F166 HydrophobicContact CB-CD2 4.13Å; V129-F166 HydrophobicContact CG1-CD2 4.14Å; V129-F166 HydrophobicContact CG1-CE2 4.31Å; V129-F166 WeakPolarHBondContact O-CA 3.26Å; V129-Q167 PolarHBondContact O-N 3.48Å; V129-R255 PolarHBondContact O-NH2 3.4Å; V129-M259 HydrophobicContact CG2-CB 4.44Å; V129-L261 HydrophobicContact CG1-CD1 3.63Å; V129-L261 HydrophobicContact CG1-CG 4.09Å; V129-Y365 HydrophobicContact CG2-CE2 3.7Å |
| 130 | D | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.2 | 169.1 | -68.5 | -20.1 | 0 | 0 | 0 | 108.1 | L212 W254 R255 S258 M259 L261 | D130-L212 HydrophobicContact CB-CD1 3.96Å; D130-L212 HydrophobicContact CB-CD2 4.04Å; D130-W254 HydrophobicContact CB-CE3 3.63Å; D130-W254 HydrophobicContact CB-CZ3 3.64Å; D130-R255 IonicContact OD1-CZ 2.82Å; D130-R255 IonicContact OD1-NE 3.29Å; D130-R255 PolarHBondContact OD1-NE 3.39Å; D130-R255 IonicContact OD1-NH2 3.08Å; D130-R255 PolarHBondContact OD1-NH2 3.19Å; D130-R255 VanDerWaalsContact OD2-CB 3.28Å; D130-R255 WeakPolarHBondContact OD2-CB 3.37Å; D130-R255 WeakPolarHBondContact OD2-CG 3.47Å; D130-R255 PolarHBondContact OD2-N 3.13Å; D130-R255 IonicContact OD2-NE 3.01Å; D130-R255 PolarHBondContact OD2-NE 3.26Å; D130-S258 VanDerWaalsContact CG-OG 3.29Å; D130-S258 WeakPolarHBondContact OD2-CB 3.47Å; D130-S258 PolarHBondContact OD2-OG 3.12Å; D130-M259 PolarHBondContact N-O 3.45Å; D130-L261 PolarHBondContact O-N 3.39Å |
| 131 | M | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.2 | -179.9 | -166.5 | -161.4 | 83.2 | 0 | 0 | 110.9 | Y133 L155 F166 Q167 M168 G169 L261 V263 I361 | M131-Y133 HydrophobicContact CE-CD2 4.23Å; M131-L155 HydrophobicContact CE-CD2 3.52Å; M131-L155 HydrophobicContact SD-CD2 3.71Å; M131-F166 HydrophobicContact CB-CE2 3.74Å; M131-F166 HydrophobicContact CB-CZ 4.1Å; M131-F166 HydrophobicContact SD-CZ 4.36Å; M131-Q167 PolarHBondContact N-O 3.49Å; M131-M168 HydrophobicContact CE-CE 3.5Å; M131-M168 VanDerWaalsContact CE-CE 3.5Å; M131-M168 HydrophobicContact CE-CG 3.84Å; M131-M168 HydrophobicContact CE-SD 3.88Å; M131-M168 CarbonylContact O-C 3.54Å; M131-M168 VanDerWaalsContact O-CA 3.25Å; M131-M168 WeakPolarHBondContact O-CA 3.29Å; M131-G169 PolarHBondContact O-N 3.46Å; M131-L261 CarbonylContact C-O 3.54Å; M131-L261 VanDerWaalsContact CA-O 3.32Å; M131-L261 WeakPolarHBondContact CA-O 3.49Å; M131-L261 HydrophobicContact CB-CB 4.43Å; M131-L261 HydrophobicContact CG-CB 4.1Å; M131-V263 HydrophobicContact CG-CG2 3.79Å; M131-V263 HydrophobicContact SD-CG2 3.91Å; M131-I361 HydrophobicContact SD-CD1 4.23Å; M131-I361 HydrophobicContact SD-CG2 3.88Å |
| 132 | Y | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.5 | 174.7 | -164.3 | -93.4 | 0 | 0 | 0 | 109.8 | M134 F170 G171 Y206 H208 A245 I252 W254 L261 V263 | Y132-M134 HydrophobicContact CD1-CE 4.06Å; Y132-M134 HydrophobicContact CE1-CE 3.59Å; Y132-M134 HydrophobicContact CE1-SD 4.14Å; Y132-F170 VanDerWaalsContact CZ-C 3.45Å; Y132-F170 VanDerWaalsContact OH-C 3.27Å; Y132-F170 PolarHBondContact OH-O 3.34Å; Y132-G171 WeakPolarHBondContact OH-CA 3.16Å; Y132-G171 PolarHBondContact OH-N 2.02Å; Y132-Y206 PolarHBondContact OH-OH 2.94Å; Y132-H208 AromaticContact CE2-CE1 3.91Å; Y132-H208 AromaticContact CE2-ND1 3.66Å; Y132-H208 AromaticContact CZ-ND1 3.64Å; Y132-H208 PolarHBondContact OH-ND1 3.21Å; Y132-A245 HydrophobicContact CD1-CB 4.36Å; Y132-A245 HydrophobicContact CE1-CB 4.31Å; Y132-I252 HydrophobicContact CD2-CG2 3.43Å; Y132-I252 VanDerWaalsContact CD2-CG2 3.43Å; Y132-I252 HydrophobicContact CE2-CD1 3.89Å; Y132-I252 HydrophobicContact CE2-CG2 3.71Å; Y132-I252 HydrophobicContact CG-CG2 4.1Å; Y132-W254 VanDerWaalsContact CB-CH2 3.41Å; Y132-W254 HydrophobicContact CG-CZ2 4.39Å; Y132-L261 PolarHBondContact N-O 3.4Å; Y132-V263 PolarHBondContact O-N 3.18Å |
| 133 | Y | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.8 | 179.4 | -166.4 | -83.9 | 0 | 0 | 0 | 109.6 | M131 M135 I148 L151 G169 F170 G171 F219 V263 V265 I357 I361 | M131-Y133 HydrophobicContact CE-CD2 4.23Å; Y133-M135 HydrophobicContact CD1-CB 4.12Å; Y133-M135 HydrophobicContact CE1-CB 3.81Å; Y133-M135 HydrophobicContact CE1-CG 4.08Å; Y133-M135 HydrophobicContact CE1-SD 4.17Å; Y133-I148 HydrophobicContact CE1-CD1 4.05Å; Y133-L151 HydrophobicContact CD2-CD2 4.31Å; Y133-L151 HydrophobicContact CE2-CD2 3.63Å; Y133-G169 PolarHBondContact N-O 2.76Å; Y133-F170 AromaticContact CD1-CD2 3.75Å; Y133-F170 HydrophobicContact CD1-CD2 3.75Å; Y133-F170 AromaticContact CD1-CE2 3.7Å; Y133-F170 HydrophobicContact CD1-CE2 3.7Å; Y133-F170 HydrophobicContact CE1-CE2 4.22Å; Y133-F170 HydrophobicContact CG-CD2 4.43Å; Y133-F170 WeakPolarHBondContact O-CA 3.39Å; Y133-F170 WeakPolarHBondContact O-CD2 3.34Å; Y133-G171 PolarHBondContact O-N 3.26Å; Y133-F219 HydrophobicContact CD1-CZ 4.44Å; Y133-F219 HydrophobicContact CG-CZ 4.28Å; Y133-V263 HydrophobicContact CD2-CB 4.4Å; Y133-V263 HydrophobicContact CD2-CG1 4.33Å; Y133-V263 HydrophobicContact CE2-CG1 4.42Å; Y133-V265 HydrophobicContact CE1-CG2 4.05Å; Y133-V265 HydrophobicContact CE2-CG2 3.91Å; Y133-I357 HydrophobicContact CE2-CD1 4.34Å; Y133-I357 HydrophobicContact CE2-CG1 3.88Å; Y133-I361 HydrophobicContact CD2-CD1 4.47Å; Y133-I361 HydrophobicContact CE2-CD1 4.33Å |
| 134 | M | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 114.7 | -179.6 | -172 | 70 | 78.6 | 0 | 0 | 109.4 | Y132 F173 Y206 A241 A245 L262 V263 F264 V265 | Y132-M134 HydrophobicContact CD1-CE 4.06Å; Y132-M134 HydrophobicContact CE1-CE 3.59Å; Y132-M134 HydrophobicContact CE1-SD 4.14Å; M134-F173 HydrophobicContact CG-CD1 3.68Å; M134-F173 HydrophobicContact CG-CE1 3.77Å; M134-F173 HydrophobicContact SD-CD1 4.07Å; M134-Y206 HydrophobicContact CE-CD2 4.16Å; M134-Y206 HydrophobicContact CE-CE2 3.43Å; M134-Y206 VanDerWaalsContact CE-CE2 3.43Å; M134-Y206 HydrophobicContact SD-CD2 3.87Å; M134-Y206 HydrophobicContact SD-CE2 3.41Å; M134-Y206 WeakPolarHBondContact SD-CE2 3.41Å; M134-A241 HydrophobicContact CE-CB 3.9Å; M134-A241 VanDerWaalsContact CE-O 3.31Å; M134-A241 WeakPolarHBondContact CE-O 3.33Å; M134-A241 HydrophobicContact CG-CB 4.29Å; M134-A241 HydrophobicContact SD-CB 3.81Å; M134-A245 HydrophobicContact CE-CB 3.5Å; M134-A245 VanDerWaalsContact CE-CB 3.5Å; M134-L262 HydrophobicContact CB-CD2 4.01Å; M134-V263 WeakPolarHBondContact CA-O 3.44Å; M134-V263 WeakPolarHBondContact CB-O 3.36Å; M134-V263 PolarHBondContact N-O 3.18Å; M134-F264 HydrophobicContact CG-CD2 4.4Å; M134-V265 PolarHBondContact O-N 2.86Å |
| 135 | M | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.5 | -173.2 | -165.6 | -179 | 172.7 | 0 | 0 | 112.8 | Y133 L137 M141 D144 L145 I148 F170 G171 S172 F173 | Y133-M135 HydrophobicContact CD1-CB 4.12Å; Y133-M135 HydrophobicContact CE1-CB 3.81Å; Y133-M135 HydrophobicContact CE1-CG 4.08Å; Y133-M135 HydrophobicContact CE1-SD 4.17Å; M135-L137 HydrophobicContact CE-CD2 4.25Å; M135-L137 HydrophobicContact CG-CD2 4.36Å; M135-L137 PolarHBondContact O-N 3.44Å; M135-L137 HydrophobicContact SD-CD2 3.99Å; M135-M141 HydrophobicContact CE-CB 4.28Å; M135-M141 HydrophobicContact CE-CE 4.01Å; M135-D144 HydrophobicContact CE-CB 3.76Å; M135-L145 HydrophobicContact CE-CB 4.2Å; M135-L145 HydrophobicContact CE-CD1 4.48Å; M135-L145 HydrophobicContact SD-CD1 4.28Å; M135-I148 HydrophobicContact CE-CD1 4.03Å; M135-I148 HydrophobicContact SD-CD1 3.3Å; M135-I148 WeakPolarHBondContact SD-CD1 3.26Å; M135-I148 HydrophobicContact SD-CG1 4.47Å; M135-F170 HydrophobicContact CB-CE2 3.81Å; M135-F170 HydrophobicContact CB-CZ 4.06Å; M135-F170 HydrophobicContact SD-CE2 4.47Å; M135-G171 PolarHBondContact N-O 3.18Å; M135-S172 WeakPolarHBondContact O-CA 3.43Å; M135-F173 PolarHBondContact O-N 3.2Å; M135-F173 VanDerWaalsContact O-N 3.07Å |
| 136 | D | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 124.7 | 162.2 | -172.6 | -10.7 | 0 | 0 | 0 | 110.5 | S138 M141 F173 V265 S266 | D136-S138 WeakPolarHBondContact OD1-CB 3.19Å; D136-S138 PolarHBondContact OD1-N 3.32Å; D136-S138 PolarHBondContact OD1-OG 2.87Å; D136-S138 PolarHBondContact OD2-OG 2.72Å; D136-M141 HydrophobicContact CB-CE 4.46Å; D136-M141 HydrophobicContact CB-CG 4.01Å; D136-M141 WeakPolarHBondContact O-CB 3.31Å; D136-M141 WeakPolarHBondContact O-CG 3.45Å; D136-F173 HydrophobicContact CB-CE1 4.28Å; D136-F173 HydrophobicContact CB-CE2 3.94Å; D136-F173 HydrophobicContact CB-CZ 3.68Å; D136-V265 VanDerWaalsContact CB-O 3.27Å; D136-V265 WeakPolarHBondContact CB-O 3.39Å; D136-V265 PolarHBondContact N-O 3.47Å; D136-S266 PolarHBondContact OD2-OG 3.21Å |
| 137 | L | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | trans | -112.5 | 26.6 | 175.8 | -69.5 | -173.1 | 0 | 0 | 0 | 112.3 | M135 L145 F173 V174 F204 Q226 V228 S229 | M135-L137 HydrophobicContact CE-CD2 4.25Å; M135-L137 HydrophobicContact CG-CD2 4.36Å; M135-L137 PolarHBondContact O-N 3.44Å; M135-L137 HydrophobicContact SD-CD2 3.99Å; L137-L145 HydrophobicContact CD2-CD1 4.24Å; L137-L145 HydrophobicContact CD2-CD2 4.37Å; L137-F173 PolarHBondContact N-O 3.06Å; L137-V174 HydrophobicContact CB-CG2 4.18Å; L137-F204 HydrophobicContact CB-CZ 4.45Å; L137-F204 HydrophobicContact CD1-CZ 4.34Å; L137-Q226 HydrophobicContact CD1-CB 4.31Å; L137-V228 CarbonylContact O-C 3.56Å; L137-V228 VanDerWaalsContact O-CA 3.32Å; L137-V228 WeakPolarHBondContact O-CA 3.23Å; L137-V228 WeakPolarHBondContact O-CB 3.19Å; L137-S229 PolarHBondContact O-N 3.37Å | ||
| 138 | S | 94.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -58.4 | 165.4 | 164.6 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | D136 S140 M141 S229 | D136-S138 WeakPolarHBondContact OD1-CB 3.19Å; D136-S138 PolarHBondContact OD1-N 3.32Å; D136-S138 PolarHBondContact OD1-OG 2.87Å; D136-S138 PolarHBondContact OD2-OG 2.72Å; S138-S140 PolarHBondContact O-N 2.91Å; S138-S140 PolarHBondContact OG-OG 3.06Å; S138-M141 PolarHBondContact O-N 3.31Å; S138-M141 VanDerWaalsContact O-N 3.12Å; S138-S229 CarbonylContact C-O 3.51Å; S138-S229 VanDerWaalsContact C-O 3.26Å |
| 139 | A | 92.5 | Very high | 92.9 | Very high | 24 Ų | 24 | 26 Ų | 26 | 20% | 0.198 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -67.7 | -23.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113 | M141 S229 A230 | A139-M141 VanDerWaalsContact C-N 3.26Å; A139-M141 PolarHBondContact O-N 2.92Å; A139-S229 WeakPolarHBondContact CA-O 3.49Å; A139-S229 PolarHBondContact N-O 2.93Å; A139-A230 HydrophobicContact CB-CB 4.15Å |
| 140 | S | 92.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 31.2 Ų | 31.2 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -64.2 | -31.4 | 174.5 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | S138 I142 D267 | S138-S140 PolarHBondContact O-N 2.91Å; S138-S140 PolarHBondContact OG-OG 3.06Å; S140-I142 PolarHBondContact O-N 2.94Å; S140-I142 VanDerWaalsContact O-N 3.13Å; S140-D267 WeakPolarHBondContact CB-OD2 3.25Å; S140-D267 PolarHBondContact OG-OD1 3.46Å; S140-D267 PolarHBondContact OG-OD2 2.04Å; S140-D267 VanDerWaalsContact OG-OD2 3.1Å |
| 141 | M | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -81.9 | 14.2 | -173.5 | -59.9 | -65.2 | -68.2 | 0 | 0 | 114.3 | M135 D136 S138 A139 D143 D144 L145 V265 D267 | M135-M141 HydrophobicContact CE-CB 4.28Å; M135-M141 HydrophobicContact CE-CE 4.01Å; D136-M141 HydrophobicContact CB-CE 4.46Å; D136-M141 HydrophobicContact CB-CG 4.01Å; D136-M141 WeakPolarHBondContact O-CB 3.31Å; D136-M141 WeakPolarHBondContact O-CG 3.45Å; S138-M141 PolarHBondContact O-N 3.31Å; S138-M141 VanDerWaalsContact O-N 3.12Å; A139-M141 VanDerWaalsContact C-N 3.26Å; A139-M141 PolarHBondContact O-N 2.92Å; M141-D143 PolarHBondContact O-N 3.12Å; M141-D144 HydrophobicContact CE-CB 3.92Å; M141-D144 PolarHBondContact O-N 2.53Å; M141-L145 PolarHBondContact O-N 2.82Å; M141-V265 HydrophobicContact CE-CG1 4.09Å; M141-D267 HydrophobicContact SD-CB 4.02Å |
| 142 | I | 91.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 28% | 0.277 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.6 | -32.9 | -173.4 | -167.5 | 171.6 | 0 | 0 | 0 | 113.3 | S140 K146 M198 V228 | S140-I142 PolarHBondContact O-N 2.94Å; S140-I142 VanDerWaalsContact O-N 3.13Å; I142-K146 WeakPolarHBondContact O-CG 3.28Å; I142-M198 HydrophobicContact CD1-CE 3.77Å; I142-M198 HydrophobicContact CD1-SD 4.42Å; I142-V228 HydrophobicContact CB-CG1 4.05Å; I142-V228 HydrophobicContact CB-CG2 4.25Å; I142-V228 HydrophobicContact CD1-CG2 4.12Å; I142-V228 HydrophobicContact CG1-CG1 4.38Å; I142-V228 HydrophobicContact CG1-CG2 4.14Å |
| 143 | D | 91.1 | Very high | 90.3 | Very high | 67 Ų | 67 | 34 Ų | 34 | 36% | 0.358 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -79.5 | -37.4 | 174.6 | 52.8 | -45.5 | 0 | 0 | 0 | 112 | M141 L145 K146 M147 | M141-D143 PolarHBondContact O-N 3.12Å; D143-L145 VanDerWaalsContact C-N 3.3Å; D143-L145 PolarHBondContact O-N 3.23Å; D143-K146 WeakPolarHBondContact O-CB 3.49Å; D143-K146 PolarHBondContact O-N 3.39Å; D143-M147 PolarHBondContact O-N 2.72Å |
| 144 | D | 92.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55 | -47.3 | 171.4 | -56.5 | -101.8 | 0 | 0 | 0 | 111 | M135 M141 K146 M147 I148 S354 | M135-D144 HydrophobicContact CE-CB 3.76Å; M141-D144 HydrophobicContact CE-CB 3.92Å; M141-D144 PolarHBondContact O-N 2.53Å; D144-K146 PolarHBondContact O-N 3.39Å; D144-M147 WeakPolarHBondContact O-CB 3.2Å; D144-M147 PolarHBondContact O-N 3.48Å; D144-I148 WeakPolarHBondContact O-CG1 3.32Å; D144-I148 PolarHBondContact O-N 3.38Å; D144-S354 WeakPolarHBondContact OD1-CB 3.42Å; D144-S354 PolarHBondContact OD1-N 3.27Å; D144-S354 VanDerWaalsContact OD1-N 3.08Å; D144-S354 PolarHBondContact OD1-OG 3.25Å |
| 145 | L | 90.6 | Very high | 89.4 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -30.9 | 179.1 | -173.2 | 62.2 | 0 | 0 | 0 | 112.6 | M135 L137 M141 D143 I148 I223 Q226 V228 | M135-L145 HydrophobicContact CE-CB 4.2Å; M135-L145 HydrophobicContact CE-CD1 4.48Å; M135-L145 HydrophobicContact SD-CD1 4.28Å; L137-L145 HydrophobicContact CD2-CD1 4.24Å; L137-L145 HydrophobicContact CD2-CD2 4.37Å; M141-L145 PolarHBondContact O-N 2.82Å; D143-L145 VanDerWaalsContact C-N 3.3Å; D143-L145 PolarHBondContact O-N 3.23Å; L145-I148 HydrophobicContact CD1-CD1 4.34Å; L145-I148 HydrophobicContact CD1-CG1 4.49Å; L145-I223 HydrophobicContact CD1-CG2 4.1Å; L145-Q226 HydrophobicContact CD1-CB 4.02Å; L145-Q226 HydrophobicContact CD2-CB 4.09Å; L145-Q226 WeakPolarHBondContact CD2-O 3.34Å; L145-V228 HydrophobicContact CD2-CG1 4.44Å |
| 146 | K | 88.8 | Confident | 88.9 | Confident | 130 Ų | 130 | 36.9 Ų | 36.9 | 57% | 0.565 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -73.6 | -36.6 | 174.6 | -67 | 168.3 | -170.3 | 161.3 | 0 | 111.4 | I142 D143 D144 | I142-K146 WeakPolarHBondContact O-CG 3.28Å; D143-K146 WeakPolarHBondContact O-CB 3.49Å; D143-K146 PolarHBondContact O-N 3.39Å; D144-K146 PolarHBondContact O-N 3.39Å |
| 147 | M | 88.1 | Confident | 88.5 | Confident | 101 Ų | 101 | 43.7 Ų | 43.7 | 50% | 0.498 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.2 | -36.8 | -178.8 | -172.7 | 58.6 | -145.9 | 0 | 0 | 112.3 | D143 D144 K149 D353 R355 | D143-M147 PolarHBondContact O-N 2.72Å; D144-M147 WeakPolarHBondContact O-CB 3.2Å; D144-M147 PolarHBondContact O-N 3.48Å; M147-K149 VanDerWaalsContact C-N 3.34Å; M147-K149 PolarHBondContact O-N 3.38Å; M147-D353 WeakPolarHBondContact CB-O 3.42Å; M147-D353 WeakPolarHBondContact CG-O 3.44Å; M147-R355 HydrophobicContact CE-CB 4.4Å; M147-R355 HydrophobicContact CG-CB 4.38Å; M147-R355 HydrophobicContact SD-CB 4.44Å |
| 148 | I | 85.8 | Confident | 88.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -86.1 | 6 | -172.6 | 65.9 | 162 | 0 | 0 | 0 | 115.4 | Y133 M135 D144 L145 D150 L151 I223 I357 | Y133-I148 HydrophobicContact CE1-CD1 4.05Å; M135-I148 HydrophobicContact CE-CD1 4.03Å; M135-I148 HydrophobicContact SD-CD1 3.3Å; M135-I148 WeakPolarHBondContact SD-CD1 3.26Å; M135-I148 HydrophobicContact SD-CG1 4.47Å; D144-I148 WeakPolarHBondContact O-CG1 3.32Å; D144-I148 PolarHBondContact O-N 3.38Å; L145-I148 HydrophobicContact CD1-CD1 4.34Å; L145-I148 HydrophobicContact CD1-CG1 4.49Å; I148-D150 PolarHBondContact O-N 2.8Å; I148-L151 HydrophobicContact CB-CB 3.96Å; I148-L151 HydrophobicContact CB-CD2 4.04Å; I148-L151 HydrophobicContact CG2-CD2 3.96Å; I148-L151 WeakPolarHBondContact O-CB 3.39Å; I148-L151 PolarHBondContact O-N 3.27Å; I148-I223 HydrophobicContact CD1-CD1 4.02Å; I148-I223 HydrophobicContact CD1-CG2 4.22Å; I148-I223 HydrophobicContact CG1-CG2 3.97Å; I148-I357 HydrophobicContact CG2-CG2 4.34Å |
| 149 | K | 83.6 | Confident | 88 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -56.7 | -35.4 | -178.9 | -72.1 | -177 | 174.8 | -176.3 | 0 | 113.9 | M147 N220 I223 | M147-K149 VanDerWaalsContact C-N 3.34Å; M147-K149 PolarHBondContact O-N 3.38Å; K149-N220 PolarHBondContact O-OD1 2.86Å; K149-I223 HydrophobicContact CG-CG2 4.29Å |
| 150 | D | 79.1 | Confident | 87.7 | Confident | 110 Ų | 110 | 48.5 Ų | 48.5 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -100.9 | 3.3 | 179 | -65.4 | -38 | 0 | 0 | 0 | 113.1 | I148 G152 S153 S154 | I148-D150 PolarHBondContact O-N 2.8Å; D150-G152 PolarHBondContact O-N 3.28Å; D150-S153 PolarHBondContact O-N 2.79Å; D150-S153 PolarHBondContact O-OG 3.1Å; D150-S154 PolarHBondContact O-N 2.81Å; D150-S154 PolarHBondContact O-OG 3.01Å |
| 151 | L | 81.3 | Confident | 87.5 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | -174.3 | -179.6 | 62.7 | 0 | 0 | 0 | 111.6 | Y133 I148 S153 S154 L155 I357 L358 | Y133-L151 HydrophobicContact CD2-CD2 4.31Å; Y133-L151 HydrophobicContact CE2-CD2 3.63Å; I148-L151 HydrophobicContact CB-CB 3.96Å; I148-L151 HydrophobicContact CB-CD2 4.04Å; I148-L151 HydrophobicContact CG2-CD2 3.96Å; I148-L151 WeakPolarHBondContact O-CB 3.39Å; I148-L151 PolarHBondContact O-N 3.27Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 3.01Å; L151-S154 PolarHBondContact O-N 2.87Å; L151-L155 HydrophobicContact CD1-CB 4.25Å; L151-L155 HydrophobicContact CG-CB 4.48Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 PolarHBondContact O-N 2.59Å; L151-I357 HydrophobicContact CD1-CG2 3.71Å; L151-I357 HydrophobicContact CD2-CG1 4.41Å; L151-I357 HydrophobicContact CD2-CG2 3.79Å; L151-I357 HydrophobicContact CG-CG2 4.4Å; L151-L358 HydrophobicContact CD1-CB 4.2Å |
| 152 | G | 81 | Confident | 87.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.1 | -42.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D150 S156 N220 | D150-G152 PolarHBondContact O-N 3.28Å; G152-S156 VanDerWaalsContact O-CB 3.26Å; G152-S156 WeakPolarHBondContact O-CB 3.28Å; G152-S156 PolarHBondContact O-N 2.76Å; G152-N220 WeakPolarHBondContact CA-OD1 3.37Å; G152-N220 PolarHBondContact N-OD1 3.46Å |
| 153 | S | 85.3 | Confident | 87 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.1 | -42.7 | 177.4 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | D150 L151 R157 N220 | D150-S153 PolarHBondContact O-N 2.79Å; D150-S153 PolarHBondContact O-OG 3.1Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 3.01Å; S153-R157 PolarHBondContact O-N 3.03Å; S153-N220 PolarHBondContact N-OD1 3.45Å |
| 154 | S | 87.6 | Confident | 86.9 | Confident | 31 Ų | 31 | 54 Ų | 54 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.4 | -43.5 | -178.9 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | D150 L151 R157 E158 | D150-S154 PolarHBondContact O-N 2.81Å; D150-S154 PolarHBondContact O-OG 3.01Å; L151-S154 PolarHBondContact O-N 2.87Å; S154-R157 WeakPolarHBondContact O-CB 2.93Å; S154-R157 PolarHBondContact O-N 2.9Å; S154-E158 PolarHBondContact O-N 3.49Å; S154-E158 VanDerWaalsContact O-N 3.1Å |
| 155 | L | 87.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.8 | -43.3 | -179.9 | -177.9 | 54 | 0 | 0 | 0 | 111.4 | M131 L151 R157 E158 M159 M168 L358 I361 | M131-L155 HydrophobicContact CE-CD2 3.52Å; M131-L155 HydrophobicContact SD-CD2 3.71Å; L151-L155 HydrophobicContact CD1-CB 4.25Å; L151-L155 HydrophobicContact CG-CB 4.48Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 PolarHBondContact O-N 2.59Å; L155-R157 VanDerWaalsContact C-N 3.27Å; L155-R157 PolarHBondContact O-N 2.79Å; L155-E158 PolarHBondContact O-N 3.27Å; L155-E158 VanDerWaalsContact O-N 3.15Å; L155-M159 HydrophobicContact CD1-CG 3.81Å; L155-M159 HydrophobicContact CD1-SD 4.4Å; L155-M159 HydrophobicContact CG-CG 4.2Å; L155-M159 WeakPolarHBondContact O-CB 3.46Å; L155-M159 VanDerWaalsContact O-CG 3.3Å; L155-M159 WeakPolarHBondContact O-CG 3.34Å; L155-M159 PolarHBondContact O-N 2.95Å; L155-M168 HydrophobicContact CB-CE 4.04Å; L155-M168 HydrophobicContact CD2-CE 3.47Å; L155-M168 VanDerWaalsContact CD2-CE 3.47Å; L155-M168 HydrophobicContact CG-CE 3.76Å; L155-L358 HydrophobicContact CB-CD1 4.41Å; L155-L358 HydrophobicContact CD1-CG 4.36Å; L155-I361 HydrophobicContact CD1-CB 4.47Å; L155-I361 HydrophobicContact CD1-CG2 4.08Å; L155-I361 HydrophobicContact CD2-CD1 3.72Å |
| 156 | S | 87.3 | Confident | 86.8 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 112.5 | G152 E158 M159 S160 T216 | G152-S156 VanDerWaalsContact O-CB 3.26Å; G152-S156 WeakPolarHBondContact O-CB 3.28Å; G152-S156 PolarHBondContact O-N 2.76Å; S156-E158 PolarHBondContact O-N 2.95Å; S156-M159 PolarHBondContact O-N 3.02Å; S156-S160 VanDerWaalsContact O-CB 3.27Å; S156-S160 WeakPolarHBondContact O-CB 3.27Å; S156-S160 PolarHBondContact O-N 2.98Å; S156-S160 PolarHBondContact O-OG 3Å; S156-T216 WeakPolarHBondContact OG-CG2 3.3Å |
| 157 | R | 89.4 | Confident | 87.1 | Confident | 144 Ų | 144 | 52.9 Ų | 52.9 | 54% | 0.543 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 175 | -178.5 | 176.1 | 62.8 | -140.1 | -6.5 | 111.8 | S153 S154 L155 S160 | S153-R157 PolarHBondContact O-N 3.03Å; S154-R157 WeakPolarHBondContact O-CB 2.93Å; S154-R157 PolarHBondContact O-N 2.9Å; L155-R157 VanDerWaalsContact C-N 3.27Å; L155-R157 PolarHBondContact O-N 2.79Å; R157-S160 PolarHBondContact O-OG 3.36Å |
| 158 | E | 90.7 | Very high | 87.4 | Confident | 53 Ų | 53 | 48.4 Ų | 48.4 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.5 | -41.7 | 178 | -67.1 | -56.1 | 132.6 | 0 | 0 | 112.4 | S154 L155 S156 S160 K161 L358 V362 | S154-E158 PolarHBondContact O-N 3.49Å; S154-E158 VanDerWaalsContact O-N 3.1Å; L155-E158 PolarHBondContact O-N 3.27Å; L155-E158 VanDerWaalsContact O-N 3.15Å; S156-E158 PolarHBondContact O-N 2.95Å; E158-S160 VanDerWaalsContact C-N 3.31Å; E158-S160 PolarHBondContact O-N 2.86Å; E158-K161 WeakPolarHBondContact O-CB 2.93Å; E158-K161 PolarHBondContact O-N 3Å; E158-K161 IonicContact OE1-NZ 2.71Å; E158-K161 PolarHBondContact OE1-NZ 2.95Å; E158-K161 IonicContact OE2-NZ 2.7Å; E158-K161 PolarHBondContact OE2-NZ 3.36Å; E158-L358 HydrophobicContact CB-CD2 4.48Å; E158-L358 HydrophobicContact CG-CD1 4.11Å; E158-L358 HydrophobicContact CG-CD2 3.95Å; E158-V362 HydrophobicContact CB-CG2 4.28Å |
| 159 | M | 88.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -31 | 176.6 | -67.3 | -57.4 | -69.2 | 0 | 0 | 112.6 | V129 L155 S156 K161 L162 T163 F166 Y365 | V129-M159 HydrophobicContact CG1-CE 4.07Å; L155-M159 HydrophobicContact CD1-CG 3.81Å; L155-M159 HydrophobicContact CD1-SD 4.4Å; L155-M159 HydrophobicContact CG-CG 4.2Å; L155-M159 WeakPolarHBondContact O-CB 3.46Å; L155-M159 VanDerWaalsContact O-CG 3.3Å; L155-M159 WeakPolarHBondContact O-CG 3.34Å; L155-M159 PolarHBondContact O-N 2.95Å; S156-M159 PolarHBondContact O-N 3.02Å; M159-K161 PolarHBondContact O-N 2.89Å; M159-K161 VanDerWaalsContact O-N 3.14Å; M159-L162 WeakPolarHBondContact O-CA 3.22Å; M159-L162 PolarHBondContact O-N 3.08Å; M159-L162 HydrophobicContact SD-CD1 4.2Å; M159-T163 PolarHBondContact O-N 2.82Å; M159-F166 HydrophobicContact CB-CD1 4.18Å; M159-F166 HydrophobicContact CB-CD2 4.01Å; M159-F166 HydrophobicContact CB-CE1 4.27Å; M159-F166 HydrophobicContact CB-CE2 4.13Å; M159-F166 HydrophobicContact CB-CG 4.03Å; M159-F166 HydrophobicContact CB-CZ 4.25Å; M159-F166 HydrophobicContact CE-CD2 4.25Å; M159-F166 HydrophobicContact CE-CE2 4.13Å; M159-F166 HydrophobicContact CG-CD2 4.25Å; M159-F166 HydrophobicContact CG-CE1 4.38Å; M159-F166 HydrophobicContact CG-CE2 3.88Å; M159-F166 HydrophobicContact CG-CZ 3.94Å; M159-Y365 HydrophobicContact CE-CD2 4.21Å; M159-Y365 HydrophobicContact CE-CE2 4.41Å; M159-Y365 HydrophobicContact CE-CG 4.26Å |
| 160 | S | 86.4 | Confident | 88.5 | Confident | 75 Ų | 75 | 43.8 Ų | 43.8 | 52% | 0.524 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19 | 175.4 | 74.3 | 0 | 0 | 0 | 0 | 114 | S156 R157 E158 L162 T163 | S156-S160 VanDerWaalsContact O-CB 3.27Å; S156-S160 WeakPolarHBondContact O-CB 3.27Å; S156-S160 PolarHBondContact O-N 2.98Å; S156-S160 PolarHBondContact O-OG 3Å; R157-S160 PolarHBondContact O-OG 3.36Å; E158-S160 VanDerWaalsContact C-N 3.31Å; E158-S160 PolarHBondContact O-N 2.86Å; S160-L162 VanDerWaalsContact C-N 3.28Å; S160-T163 WeakPolarHBondContact CA-O 3.42Å |
| 161 | K | 89.2 | Confident | 89.4 | Confident | 138 Ų | 138 | 38.6 Ų | 38.6 | 60% | 0.6 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -15.8 | 173.2 | -58.1 | 174.8 | -170.3 | 165.5 | 0 | 112.5 | E158 M159 | E158-K161 WeakPolarHBondContact O-CB 2.93Å; E158-K161 PolarHBondContact O-N 3Å; E158-K161 IonicContact OE1-NZ 2.71Å; E158-K161 PolarHBondContact OE1-NZ 2.95Å; E158-K161 IonicContact OE2-NZ 2.7Å; E158-K161 PolarHBondContact OE2-NZ 3.36Å; M159-K161 PolarHBondContact O-N 2.89Å; M159-K161 VanDerWaalsContact O-N 3.14Å |
| 162 | L | 86.5 | Confident | 90.1 | Very high | 52 Ų | 52 | 38 Ų | 38 | 27% | 0.272 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -31.2 | -170.7 | -59.5 | 173.6 | 0 | 0 | 0 | 112.6 | M159 S160 V362 Y365 | M159-L162 WeakPolarHBondContact O-CA 3.22Å; M159-L162 PolarHBondContact O-N 3.08Å; M159-L162 HydrophobicContact SD-CD1 4.2Å; S160-L162 VanDerWaalsContact C-N 3.28Å; L162-V362 HydrophobicContact CD1-CG1 4.43Å; L162-Y365 HydrophobicContact CB-CE1 3.81Å; L162-Y365 HydrophobicContact CD1-CD1 3.67Å; L162-Y365 HydrophobicContact CD1-CE1 3.78Å; L162-Y365 HydrophobicContact CG-CE1 4.26Å |
| 163 | T | 88 | Confident | 90.9 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | trans | -144.9 | 142.1 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | D126 Y127 V129 M159 S160 N165 F166 | D126-T163 WeakPolarHBondContact OD1-CA 3.08Å; Y127-T163 WeakPolarHBondContact O-CB 3.45Å; Y127-T163 PolarHBondContact O-OG1 2.9Å; V129-T163 HydrophobicContact CB-CG2 4.08Å; V129-T163 HydrophobicContact CG2-CG2 3.81Å; M159-T163 PolarHBondContact O-N 2.82Å; S160-T163 WeakPolarHBondContact CA-O 3.42Å; T163-N165 VanDerWaalsContact C-N 3.31Å; T163-N165 PolarHBondContact OG1-N 2.89Å; T163-F166 HydrophobicContact CG2-CB 4.06Å | ||
| 164 | S | 87.9 | Confident | 91.5 | Very high | 94 Ų | 94 | 35.8 Ų | 35.8 | 66% | 0.657 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -77.8 | -18.7 | 174.8 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | D126 | D126-S164 VanDerWaalsContact CG-OG 3.29Å; D126-S164 PolarHBondContact OD1-N 2.89Å; D126-S164 PolarHBondContact OD1-OG 2.8Å; D126-S164 VanDerWaalsContact OD2-CB 3.25Å; D126-S164 WeakPolarHBondContact OD2-CB 3.32Å; D126-S164 PolarHBondContact OD2-OG 3.46Å |
| 165 | N | 89.8 | Confident | 91.9 | Very high | 66 Ų | 66 | 34.3 Ų | 34.3 | 35% | 0.353 | 18% | 0.177 | S | C | . | . | trans | -129.2 | 80.2 | -168.4 | -165.7 | -9.1 | 0 | 0 | 0 | 112.3 | P128 V129 T163 R255 | P128-N165 WeakPolarHBondContact CA-O 3.39Å; P128-N165 HydrophobicContact CB-CB 4.18Å; P128-N165 HydrophobicContact CG-CB 4.41Å; V129-N165 PolarHBondContact N-O 2.96Å; T163-N165 VanDerWaalsContact C-N 3.31Å; T163-N165 PolarHBondContact OG1-N 2.89Å; N165-R255 PolarHBondContact ND2-NH1 3.07Å; N165-R255 PolarHBondContact O-NH2 3.03Å; N165-R255 PolarHBondContact OD1-NH1 2.96Å | ||
| 166 | F | 92.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 9% | 0.088 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.9 | -176.5 | 178.3 | -112.9 | 0 | 0 | 0 | 112.1 | V129 M131 M159 T163 M168 | V129-F166 HydrophobicContact CB-CD2 4.13Å; V129-F166 HydrophobicContact CG1-CD2 4.14Å; V129-F166 HydrophobicContact CG1-CE2 4.31Å; V129-F166 WeakPolarHBondContact O-CA 3.26Å; M131-F166 HydrophobicContact CB-CE2 3.74Å; M131-F166 HydrophobicContact CB-CZ 4.1Å; M131-F166 HydrophobicContact SD-CZ 4.36Å; M159-F166 HydrophobicContact CB-CD1 4.18Å; M159-F166 HydrophobicContact CB-CD2 4.01Å; M159-F166 HydrophobicContact CB-CE1 4.27Å; M159-F166 HydrophobicContact CB-CE2 4.13Å; M159-F166 HydrophobicContact CB-CG 4.03Å; M159-F166 HydrophobicContact CB-CZ 4.25Å; M159-F166 HydrophobicContact CE-CD2 4.25Å; M159-F166 HydrophobicContact CE-CE2 4.13Å; M159-F166 HydrophobicContact CG-CD2 4.25Å; M159-F166 HydrophobicContact CG-CE1 4.38Å; M159-F166 HydrophobicContact CG-CE2 3.88Å; M159-F166 HydrophobicContact CG-CZ 3.94Å; T163-F166 HydrophobicContact CG2-CB 4.06Å; F166-M168 HydrophobicContact CE1-CB 4.16Å; F166-M168 HydrophobicContact CE1-CE 3.62Å; F166-M168 HydrophobicContact CZ-CB 4.23Å; F166-M168 HydrophobicContact CZ-CE 3.52Å |
| 167 | Q | 94.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.2 | 169.8 | -60.9 | -171.5 | 10.8 | 0 | 0 | 111 | V129 M131 L212 T213 | V129-Q167 PolarHBondContact O-N 3.48Å; M131-Q167 PolarHBondContact N-O 3.49Å; Q167-L212 HydrophobicContact CB-CB 4.26Å; Q167-L212 HydrophobicContact CB-CD2 4.38Å; Q167-L212 PolarHBondContact OE1-O 2.79Å; Q167-T213 WeakPolarHBondContact CA-O 3.02Å |
| 168 | M | 93.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.5 | 179.6 | -172.6 | 179.2 | -61.7 | 0 | 0 | 111.4 | M131 L155 F166 T213 F219 | M131-M168 HydrophobicContact CE-CE 3.5Å; M131-M168 VanDerWaalsContact CE-CE 3.5Å; M131-M168 HydrophobicContact CE-CG 3.84Å; M131-M168 HydrophobicContact CE-SD 3.88Å; M131-M168 CarbonylContact O-C 3.54Å; M131-M168 VanDerWaalsContact O-CA 3.25Å; M131-M168 WeakPolarHBondContact O-CA 3.29Å; L155-M168 HydrophobicContact CB-CE 4.04Å; L155-M168 HydrophobicContact CD2-CE 3.47Å; L155-M168 VanDerWaalsContact CD2-CE 3.47Å; L155-M168 HydrophobicContact CG-CE 3.76Å; F166-M168 HydrophobicContact CE1-CB 4.16Å; F166-M168 HydrophobicContact CE1-CE 3.62Å; F166-M168 HydrophobicContact CZ-CB 4.23Å; F166-M168 HydrophobicContact CZ-CE 3.52Å; M168-T213 PolarHBondContact N-O 3.25Å; M168-T213 PolarHBondContact O-N 2.95Å; M168-F219 HydrophobicContact CG-CD2 3.88Å; M168-F219 HydrophobicContact CG-CE2 4.09Å; M168-F219 HydrophobicContact SD-CB 4.43Å; M168-F219 HydrophobicContact SD-CD1 4.11Å; M168-F219 HydrophobicContact SD-CD2 3.47Å; M168-F219 WeakPolarHBondContact SD-CD2 3.27Å; M168-F219 HydrophobicContact SD-CE1 4.2Å; M168-F219 HydrophobicContact SD-CE2 3.58Å; M168-F219 VanDerWaalsContact SD-CE2 3.58Å; M168-F219 HydrophobicContact SD-CG 3.74Å; M168-F219 HydrophobicContact SD-CZ 3.96Å |
| 169 | G | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 169.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M131 Y133 L210 | M131-G169 PolarHBondContact O-N 3.46Å; Y133-G169 PolarHBondContact N-O 2.76Å; G169-L210 CarbonylContact C-O 3.56Å; G169-L210 VanDerWaalsContact CA-O 3.24Å; G169-L210 WeakPolarHBondContact CA-O 3.24Å |
| 170 | F | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 135.7 | -177.9 | -175.7 | -105.9 | 0 | 0 | 0 | 111.9 | Y132 Y133 M135 I209 L210 F219 I222 I223 Q226 | Y132-F170 VanDerWaalsContact CZ-C 3.45Å; Y132-F170 VanDerWaalsContact OH-C 3.27Å; Y132-F170 PolarHBondContact OH-O 3.34Å; Y133-F170 AromaticContact CD1-CD2 3.75Å; Y133-F170 HydrophobicContact CD1-CD2 3.75Å; Y133-F170 AromaticContact CD1-CE2 3.7Å; Y133-F170 HydrophobicContact CD1-CE2 3.7Å; Y133-F170 HydrophobicContact CE1-CE2 4.22Å; Y133-F170 HydrophobicContact CG-CD2 4.43Å; Y133-F170 WeakPolarHBondContact O-CA 3.39Å; Y133-F170 WeakPolarHBondContact O-CD2 3.34Å; M135-F170 HydrophobicContact CB-CE2 3.81Å; M135-F170 HydrophobicContact CB-CZ 4.06Å; M135-F170 HydrophobicContact SD-CE2 4.47Å; F170-I209 HydrophobicContact CD1-CB 4.02Å; F170-I209 HydrophobicContact CD1-CD1 3.64Å; F170-I209 HydrophobicContact CD1-CG1 4.4Å; F170-I209 HydrophobicContact CD1-CG2 4.42Å; F170-I209 HydrophobicContact CE1-CD1 3.45Å; F170-I209 VanDerWaalsContact CE1-CD1 3.45Å; F170-I209 PolarHBondContact O-N 3.13Å; F170-I209 VanDerWaalsContact O-N 3.1Å; F170-L210 HydrophobicContact CB-CB 3.94Å; F170-L210 PolarHBondContact N-O 3.45Å; F170-L210 PolarHBondContact O-N 2.94Å; F170-F219 HydrophobicContact CB-CD2 4.08Å; F170-F219 HydrophobicContact CB-CE2 3.8Å; F170-F219 AromaticContact CD2-CE2 3.82Å; F170-F219 HydrophobicContact CD2-CE2 3.82Å; F170-F219 HydrophobicContact CD2-CZ 4.11Å; F170-F219 HydrophobicContact CG-CE2 4.15Å; F170-I222 HydrophobicContact CD1-CG2 4.08Å; F170-I223 HydrophobicContact CD1-CD1 4.14Å; F170-I223 HydrophobicContact CD2-CD1 3.54Å; F170-I223 HydrophobicContact CE1-CD1 3.94Å; F170-I223 HydrophobicContact CE2-CD1 3.28Å; F170-I223 HydrophobicContact CG-CD1 3.98Å; F170-I223 HydrophobicContact CZ-CD1 3.51Å; F170-Q226 HydrophobicContact CE1-CG 3.79Å; F170-Q226 HydrophobicContact CZ-CG 4.31Å |
| 171 | G | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 161.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y132 Y133 M135 K207 | Y132-G171 WeakPolarHBondContact OH-CA 3.16Å; Y132-G171 PolarHBondContact OH-N 2.02Å; Y133-G171 PolarHBondContact O-N 3.26Å; M135-G171 PolarHBondContact N-O 3.18Å; G171-K207 WeakPolarHBondContact CA-O 3.23Å |
| 172 | S | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.4 | -180 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | M135 F204 Y206 K207 I209 | M135-S172 WeakPolarHBondContact O-CA 3.43Å; S172-F204 WeakPolarHBondContact OG-CE2 3.31Å; S172-F204 WeakPolarHBondContact OG-CZ 3.48Å; S172-Y206 VanDerWaalsContact O-CD2 3.28Å; S172-Y206 WeakPolarHBondContact O-CD2 3.4Å; S172-K207 PolarHBondContact N-O 3.09Å; S172-K207 PolarHBondContact O-N 3.13Å; S172-I209 WeakPolarHBondContact OG-CD1 3.46Å |
| 173 | F | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.8 | 173.6 | 66.8 | -87.7 | 0 | 0 | 0 | 111.2 | M134 M135 D136 L137 G205 E236 G238 A241 F264 | M134-F173 HydrophobicContact CG-CD1 3.68Å; M134-F173 HydrophobicContact CG-CE1 3.77Å; M134-F173 HydrophobicContact SD-CD1 4.07Å; M135-F173 PolarHBondContact O-N 3.2Å; M135-F173 VanDerWaalsContact O-N 3.07Å; D136-F173 HydrophobicContact CB-CE1 4.28Å; D136-F173 HydrophobicContact CB-CE2 3.94Å; D136-F173 HydrophobicContact CB-CZ 3.68Å; L137-F173 PolarHBondContact N-O 3.06Å; F173-G205 WeakPolarHBondContact CA-O 3.38Å; F173-G205 VanDerWaalsContact CB-O 3.23Å; F173-G205 WeakPolarHBondContact CB-O 3.32Å; F173-E236 HydrophobicContact CD2-CB 4.37Å; F173-E236 HydrophobicContact CE2-CB 4.01Å; F173-G238 VanDerWaalsContact CE2-CA 3.46Å; F173-A241 HydrophobicContact CB-CB 3.69Å; F173-A241 HydrophobicContact CD1-CB 3.87Å; F173-A241 HydrophobicContact CG-CB 3.9Å; F173-F264 HydrophobicContact CD1-CE2 4.47Å; F173-F264 HydrophobicContact CE1-CD2 4.03Å; F173-F264 AromaticContact CE1-CE2 3.5Å; F173-F264 HydrophobicContact CE1-CE2 3.5Å; F173-F264 VanDerWaalsContact CE1-CE2 3.5Å; F173-F264 HydrophobicContact CE1-CZ 4.09Å; F173-F264 HydrophobicContact CE2-CE2 4.14Å; F173-F264 HydrophobicContact CE2-CZ 4.12Å; F173-F264 HydrophobicContact CZ-CD2 4.19Å; F173-F264 HydrophobicContact CZ-CE1 4.37Å; F173-F264 AromaticContact CZ-CE2 3.28Å; F173-F264 HydrophobicContact CZ-CE2 3.28Å; F173-F264 AromaticContact CZ-CZ 3.41Å; F173-F264 HydrophobicContact CZ-CZ 3.41Å; F173-F264 VanDerWaalsContact CZ-CZ 3.41Å |
| 174 | V | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -138 | -91.2 | 167.6 | -174.5 | 0 | 0 | 0 | 0 | 107 | L137 T203 F204 G205 N231 E236 A237 | L137-V174 HydrophobicContact CB-CG2 4.18Å; V174-T203 HydrophobicContact CB-CG2 4.3Å; V174-T203 HydrophobicContact CG1-CG2 3.96Å; V174-F204 WeakPolarHBondContact CB-O 2.77Å; V174-F204 HydrophobicContact CG2-CD1 4.46Å; V174-F204 HydrophobicContact CG2-CE1 3.95Å; V174-F204 HydrophobicContact CG2-CE2 4.35Å; V174-F204 HydrophobicContact CG2-CZ 3.89Å; V174-F204 PolarHBondContact N-O 3.07Å; V174-G205 PolarHBondContact N-O 3.04Å; V174-G205 VanDerWaalsContact N-O 3.13Å; V174-N231 HydrophobicContact CG1-CB 4.3Å; V174-E236 WeakPolarHBondContact O-CB 2.99Å; V174-E236 VanDerWaalsContact O-OE2 3.13Å; V174-A237 PolarHBondContact O-N 2.87Å | ||
| 175 | E | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -154.7 | 157.5 | -175.9 | -171.5 | 44.7 | -101.1 | 0 | 0 | 111.3 | P177 Y181 T203 F204 G205 N231 E236 A237 H271 Y306 | E175-P177 WeakPolarHBondContact O-CD 3.35Å; E175-Y181 VanDerWaalsContact CG-CB 3.49Å; E175-Y181 HydrophobicContact CG-CD1 4.33Å; E175-Y181 HydrophobicContact CG-CD2 4.44Å; E175-Y181 HydrophobicContact CG-CG 3.86Å; E175-T203 HydrophobicContact CB-CG2 4.47Å; E175-F204 PolarHBondContact N-O 3.3Å; E175-F204 VanDerWaalsContact N-O 3.13Å; E175-F204 CarbonylContact O-C 3.6Å; E175-G205 WeakPolarHBondContact O-CA 3.49Å; E175-G205 PolarHBondContact O-N 2.97Å; E175-N231 HydrophobicContact CB-CB 3.91Å; E175-N231 HydrophobicContact CG-CB 4.43Å; E175-E236 VanDerWaalsContact OE2-CA 3.23Å; E175-E236 WeakPolarHBondContact OE2-CA 3.45Å; E175-A237 PolarHBondContact OE2-N 3.31Å; E175-H271 IonicContact OE2-CD2 3.56Å; E175-H271 PolarHBondContact OE2-CD2 3.28Å; E175-Y306 WeakPolarHBondContact OE1-CE1 3.02Å; E175-Y306 PolarHBondContact OE1-OH 2.83Å | ||
| 176 | K | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -54.3 | 121.1 | 172.2 | -63.8 | -175 | -166.4 | -77.1 | 0 | 108.9 | V178 Y181 D240 I281 S300 Q304 Y306 | K176-V178 HydrophobicContact CB-CG2 4.09Å; K176-V178 PolarHBondContact O-N 2.91Å; K176-Y181 HydrophobicContact CB-CD2 4.2Å; K176-D240 WeakPolarHBondContact CE-OD2 3.29Å; K176-D240 IonicContact NZ-OD1 3.69Å; K176-D240 PolarHBondContact NZ-OD1 3.39Å; K176-D240 IonicContact NZ-OD2 3.86Å; K176-D240 PolarHBondContact NZ-OD2 3.45Å; K176-I281 HydrophobicContact CD-CD1 4Å; K176-S300 WeakPolarHBondContact CA-OG 3.25Å; K176-Q304 PolarHBondContact NZ-O 3.28Å; K176-Y306 HydrophobicContact CD-CE1 3.9Å; K176-Y306 HydrophobicContact CD-CE2 4.24Å; K176-Y306 VanDerWaalsContact CE-CD1 3.44Å; K176-Y306 HydrophobicContact CG-CE1 3.97Å | ||
| 177 | P | 93.4 | Very high | 94.2 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -81.8 | 62.6 | -173.2 | 33.4 | -35.2 | 0 | 0 | 0 | 111.4 | E175 I182 T203 S300 T301 | E175-P177 WeakPolarHBondContact O-CD 3.35Å; P177-I182 HydrophobicContact CB-CD1 3.9Å; P177-T203 WeakPolarHBondContact CB-O 3.43Å; P177-S300 WeakPolarHBondContact CD-OG 3.34Å; P177-T301 HydrophobicContact CG-CG2 3.56Å |
| 178 | V | 92.8 | Very high | 94 | Very high | 34 Ų | 34 | 36 Ų | 36 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -137.6 | 158.8 | 179.2 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | K176 Y181 I182 A279 I281 | K176-V178 HydrophobicContact CB-CG2 4.09Å; K176-V178 PolarHBondContact O-N 2.91Å; V178-Y181 HydrophobicContact CG2-CD2 3.73Å; V178-Y181 HydrophobicContact CG2-CE2 4Å; V178-Y181 PolarHBondContact O-N 2.82Å; V178-I182 PolarHBondContact O-N 2.79Å; V178-A279 HydrophobicContact CG2-CB 3.77Å; V178-I281 HydrophobicContact CG2-CD1 4.12Å |
| 179 | L | 92.5 | Very high | 93.9 | Very high | 93 Ų | 93 | 39.6 Ų | 39.6 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 142.9 | 169.7 | -78.7 | 170.8 | 0 | 0 | 0 | 110.1 | I182 I184 A279 | L179-I182 WeakPolarHBondContact CD2-O 3.35Å; L179-I184 HydrophobicContact CD1-CD1 3.42Å; L179-I184 VanDerWaalsContact CD1-CD1 3.42Å; L179-I184 HydrophobicContact CD1-CG1 3.8Å; L179-I184 HydrophobicContact CD1-CG2 4.44Å; L179-I184 HydrophobicContact CD2-CG1 4.28Å; L179-I184 HydrophobicContact CD2-CG2 4.38Å; L179-I184 HydrophobicContact CG-CD1 4.08Å; L179-I184 HydrophobicContact CG-CG1 4.02Å; L179-I184 HydrophobicContact CG-CG2 3.85Å; L179-A279 VanDerWaalsContact O-CA 3.26Å; L179-A279 WeakPolarHBondContact O-CA 3.32Å; L179-A279 WeakPolarHBondContact O-CB 2.86Å |
| 180 | P | 93.3 | Very high | 93.8 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.4 | 1.8 | 4.9 | 36.1 | -35.5 | 0 | 0 | 0 | 115.3 | I182 M278 | P180-I182 VanDerWaalsContact C-N 3.31Å; P180-I182 PolarHBondContact O-N 3.43Å; P180-M278 HydrophobicContact CG-CB 4.43Å |
| 181 | Y | 93.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.6 | -173.4 | -46.6 | -60.5 | 0 | 0 | 0 | 114 | E175 K176 V178 N232 D233 H271 D275 S276 A279 Y306 | E175-Y181 VanDerWaalsContact CG-CB 3.49Å; E175-Y181 HydrophobicContact CG-CD1 4.33Å; E175-Y181 HydrophobicContact CG-CD2 4.44Å; E175-Y181 HydrophobicContact CG-CG 3.86Å; K176-Y181 HydrophobicContact CB-CD2 4.2Å; V178-Y181 HydrophobicContact CG2-CD2 3.73Å; V178-Y181 HydrophobicContact CG2-CE2 4Å; V178-Y181 PolarHBondContact O-N 2.82Å; Y181-N232 WeakPolarHBondContact O-CB 3.28Å; Y181-N232 PolarHBondContact O-N 3.12Å; Y181-D233 WeakPolarHBondContact CD1-OD2 3.5Å; Y181-H271 AromaticContact CD1-NE2 4Å; Y181-H271 AromaticContact CE1-NE2 3.61Å; Y181-D275 PolarHBondContact OH-O 3.31Å; Y181-S276 WeakPolarHBondContact OH-CA 3.37Å; Y181-A279 HydrophobicContact CD2-CB 4.25Å; Y181-A279 HydrophobicContact CE2-CB 3.42Å; Y181-A279 VanDerWaalsContact CE2-CB 3.42Å; Y181-Y306 WeakPolarHBondContact CE2-OH 3.26Å |
| 182 | I | 92.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -127.1 | 157.2 | 175.8 | 69.3 | 161.4 | 0 | 0 | 0 | 111.9 | P177 V178 L179 P180 I184 L189 T203 | P177-I182 HydrophobicContact CB-CD1 3.9Å; V178-I182 PolarHBondContact O-N 2.79Å; L179-I182 WeakPolarHBondContact CD2-O 3.35Å; P180-I182 VanDerWaalsContact C-N 3.31Å; P180-I182 PolarHBondContact O-N 3.43Å; I182-I184 HydrophobicContact CD1-CG2 4.3Å; I182-I184 HydrophobicContact CG1-CG2 4.18Å; I182-L189 HydrophobicContact CD1-CD2 3.89Å; I182-T203 HydrophobicContact CG2-CG2 3.56Å |
| 183 | K | 91.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | trans | -83.1 | 125.8 | 167.6 | -65.5 | 176.6 | -178.3 | 173.1 | 0 | 109.8 | E188 D195 | K183-E188 HydrophobicContact CB-CB 3.85Å; K183-E188 HydrophobicContact CB-CG 4.08Å; K183-E188 HydrophobicContact CD-CG 4.05Å; K183-D195 IonicContact NZ-OD2 3.8Å | ||
| 184 | I | 91.1 | Very high | 92.7 | Very high | 95 Ų | 95 | 50.7 Ų | 50.7 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | trans | -96.2 | 17.5 | -176.4 | 61.9 | 161.3 | 0 | 0 | 0 | 114.5 | L179 I182 L189 | L179-I184 HydrophobicContact CD1-CD1 3.42Å; L179-I184 VanDerWaalsContact CD1-CD1 3.42Å; L179-I184 HydrophobicContact CD1-CG1 3.8Å; L179-I184 HydrophobicContact CD1-CG2 4.44Å; L179-I184 HydrophobicContact CD2-CG1 4.28Å; L179-I184 HydrophobicContact CD2-CG2 4.38Å; L179-I184 HydrophobicContact CG-CD1 4.08Å; L179-I184 HydrophobicContact CG-CG1 4.02Å; L179-I184 HydrophobicContact CG-CG2 3.85Å; I182-I184 HydrophobicContact CD1-CG2 4.3Å; I182-I184 HydrophobicContact CG1-CG2 4.18Å; I184-L189 HydrophobicContact CB-CD1 4.48Å; I184-L189 HydrophobicContact CB-CD2 4.49Å; I184-L189 HydrophobicContact CG2-CD2 4.44Å; I184-L189 WeakPolarHBondContact O-CD1 3.28Å | ||
| 185 | T | 92.7 | Very high | 92.1 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -68.5 | 144.2 | 173.8 | 156.5 | 0 | 0 | 0 | 0 | 109.6 | K187 E188 L189 | T185-K187 PolarHBondContact O-N 3.04Å; T185-K187 VanDerWaalsContact O-N 3.12Å; T185-E188 WeakPolarHBondContact CB-OE2 3.33Å; T185-E188 PolarHBondContact O-N 2.91Å; T185-E188 VanDerWaalsContact O-N 3.13Å; T185-E188 PolarHBondContact OG1-OE2 3.49Å; T185-L189 WeakPolarHBondContact O-CB 3.13Å; T185-L189 WeakPolarHBondContact O-CG 3.28Å; T185-L189 PolarHBondContact O-N 2.95Å |
| 186 | E | 92 | Very high | 91.4 | Very high | 133 Ų | 133 | 61.4 Ų | 61.4 | 62% | 0.621 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.6 | -28.5 | -175.2 | -157.7 | -163.5 | 144 | 0 | 0 | 113.3 | R190 | E186-R190 VanDerWaalsContact O-CZ 3.29Å; E186-R190 PolarHBondContact O-NE 3Å; E186-R190 PolarHBondContact O-NH2 2.85Å; E186-R190 IonicContact OE1-CZ 2.82Å; E186-R190 IonicContact OE1-NH1 3.05Å; E186-R190 PolarHBondContact OE1-NH1 3.24Å; E186-R190 IonicContact OE1-NH2 3.35Å; E186-R190 PolarHBondContact OE1-NH2 2.69Å |
| 187 | K | 90.8 | Very high | 90.8 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.2 | -52.2 | 174.9 | -177.8 | -168.7 | 174.9 | -130.4 | 0 | 110.2 | T185 R190 D191 S194 D195 | T185-K187 PolarHBondContact O-N 3.04Å; T185-K187 VanDerWaalsContact O-N 3.12Å; K187-R190 PolarHBondContact O-N 2.82Å; K187-D191 PolarHBondContact O-N 3Å; K187-S194 WeakPolarHBondContact CE-OG 3.34Å; K187-S194 PolarHBondContact NZ-OG 2.83Å; K187-D195 IonicContact NZ-OD1 3.81Å; K187-D195 PolarHBondContact NZ-OD1 3.47Å |
| 188 | E | 90.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 12% | 0.117 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.8 | -30.7 | -178.9 | -69.3 | 94.7 | 130 | 0 | 0 | 114 | K183 T185 R190 D191 P192 | K183-E188 HydrophobicContact CB-CB 3.85Å; K183-E188 HydrophobicContact CB-CG 4.08Å; K183-E188 HydrophobicContact CD-CG 4.05Å; T185-E188 WeakPolarHBondContact CB-OE2 3.33Å; T185-E188 PolarHBondContact O-N 2.91Å; T185-E188 VanDerWaalsContact O-N 3.13Å; T185-E188 PolarHBondContact OG1-OE2 3.49Å; E188-R190 PolarHBondContact O-N 2.9Å; E188-D191 WeakPolarHBondContact CA-O 3.24Å; E188-D191 CarbonylContact O-C 3.54Å; E188-D191 VanDerWaalsContact O-C 3.23Å; E188-D191 PolarHBondContact O-N 3.05Å; E188-P192 VanDerWaalsContact O-CA 3.23Å; E188-P192 WeakPolarHBondContact O-CA 3.37Å |
| 189 | L | 92.2 | Very high | 90.3 | Very high | 82 Ų | 82 | 70.9 Ų | 70.9 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -29.6 | 172.9 | -76.9 | 175.3 | 0 | 0 | 0 | 112.7 | I182 I184 T185 | I182-L189 HydrophobicContact CD1-CD2 3.89Å; I184-L189 HydrophobicContact CB-CD1 4.48Å; I184-L189 HydrophobicContact CB-CD2 4.49Å; I184-L189 HydrophobicContact CG2-CD2 4.44Å; I184-L189 WeakPolarHBondContact O-CD1 3.28Å; T185-L189 WeakPolarHBondContact O-CB 3.13Å; T185-L189 WeakPolarHBondContact O-CG 3.28Å; T185-L189 PolarHBondContact O-N 2.95Å |
| 190 | R | 92.8 | Very high | 90.3 | Very high | 148 Ų | 148 | 67.1 Ų | 67.1 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -84.5 | -37.5 | 174.4 | -75.9 | -172.5 | -71.6 | -107.2 | -3.4 | 112.3 | E186 K187 E188 | E186-R190 VanDerWaalsContact O-CZ 3.29Å; E186-R190 PolarHBondContact O-NE 3Å; E186-R190 PolarHBondContact O-NH2 2.85Å; E186-R190 IonicContact OE1-CZ 2.82Å; E186-R190 IonicContact OE1-NH1 3.05Å; E186-R190 PolarHBondContact OE1-NH1 3.24Å; E186-R190 IonicContact OE1-NH2 3.35Å; E186-R190 PolarHBondContact OE1-NH2 2.69Å; K187-R190 PolarHBondContact O-N 2.82Å; E188-R190 PolarHBondContact O-N 2.9Å |
| 191 | D | 94.1 | Very high | 90.3 | Very high | 32 Ų | 32 | 68.7 Ų | 68.7 | 17% | 0.171 | 37% | 0.365 | C | S | . | . | trans | -147.5 | 94 | -177.5 | -179.7 | 9.9 | 0 | 0 | 0 | 109.8 | K187 E188 C193 S194 C200 | K187-D191 PolarHBondContact O-N 3Å; E188-D191 WeakPolarHBondContact CA-O 3.24Å; E188-D191 CarbonylContact O-C 3.54Å; E188-D191 VanDerWaalsContact O-C 3.23Å; E188-D191 PolarHBondContact O-N 3.05Å; D191-C193 PolarHBondContact O-N 3.2Å; D191-C193 PolarHBondContact OD1-N 2.03Å; D191-S194 VanDerWaalsContact O-CB 3.27Å; D191-S194 WeakPolarHBondContact O-CB 3.47Å; D191-S194 PolarHBondContact O-N 2.88Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-S194 PolarHBondContact O-OG 2.99Å; D191-C200 PolarHBondContact OD1-N 2.82Å | ||
| 192 | P | 93.9 | Very high | 90.4 | Very high | 28 Ų | 28 | 71.5 Ų | 71.5 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.4 | -174.8 | 29.2 | -35.6 | 0 | 0 | 0 | 112 | E188 C200 H201 A230 | E188-P192 VanDerWaalsContact O-CA 3.23Å; E188-P192 WeakPolarHBondContact O-CA 3.37Å; P192-C200 HydrophobicContact CG-CB 4.3Å; P192-H201 VanDerWaalsContact CD-O 3.3Å; P192-H201 WeakPolarHBondContact CD-O 3.29Å; P192-H201 VanDerWaalsContact CG-O 3.28Å; P192-H201 WeakPolarHBondContact CG-O 3.5Å; P192-A230 HydrophobicContact CB-CB 4.04Å; P192-A230 HydrophobicContact CG-CB 4.13Å |
| 193 | C | 91.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.3 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 113.9 | D191 D195 L196 M198 C200 | D191-C193 PolarHBondContact O-N 3.2Å; D191-C193 PolarHBondContact OD1-N 2.03Å; C193-D195 PolarHBondContact O-N 2.88Å; C193-L196 HydrophobicContact CB-CD1 4.45Å; C193-L196 WeakPolarHBondContact O-CA 3.28Å; C193-L196 WeakPolarHBondContact O-CB 2.99Å; C193-L196 PolarHBondContact O-N 2.89Å; C193-M198 CarbonylContact C-O 3.59Å; C193-M198 HydrophobicContact CB-CG 3.53Å; C193-M198 WeakPolarHBondContact CB-O 3.42Å; C193-M198 HydrophobicContact CB-SD 4.2Å; C193-M198 VanDerWaalsContact O-O 3.06Å; C193-C200 HydrophobicContact CB-CB 3.64Å; C193-C200 WeakPolarHBondContact CB-SG 3.01Å; C193-C200 WeakPolarHBondContact SG-CB 3.09Å; C193-C200 CovalentContact SG-SG 2.02Å; C193-C200 PolarHBondContact SG-SG 3.1Å |
| 194 | S | 87.5 | Confident | 90.7 | Very high | 25 Ų | 25 | 68 Ų | 68 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.3 | -172.4 | 67.5 | 0 | 0 | 0 | 0 | 115.3 | K187 D191 | K187-S194 WeakPolarHBondContact CE-OG 3.34Å; K187-S194 PolarHBondContact NZ-OG 2.83Å; D191-S194 VanDerWaalsContact O-CB 3.27Å; D191-S194 WeakPolarHBondContact O-CB 3.47Å; D191-S194 PolarHBondContact O-N 2.88Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-S194 PolarHBondContact O-OG 2.99Å |
| 195 | D | 83.4 | Confident | 90.8 | Very high | 101 Ų | 101 | 63.5 Ų | 63.5 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -19.3 | 174.7 | -66 | -19.6 | 0 | 0 | 0 | 113 | K183 K187 C193 G197 | K183-D195 IonicContact NZ-OD2 3.8Å; K187-D195 IonicContact NZ-OD1 3.81Å; K187-D195 PolarHBondContact NZ-OD1 3.47Å; C193-D195 PolarHBondContact O-N 2.88Å; D195-G197 VanDerWaalsContact C-N 3.33Å |
| 196 | L | 80.3 | Confident | 91.1 | Very high | 124 Ų | 124 | 59.9 Ų | 59.9 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -0.6 | 179.1 | -64.3 | 168.1 | 0 | 0 | 0 | 112.7 | C193 M198 | C193-L196 HydrophobicContact CB-CD1 4.45Å; C193-L196 WeakPolarHBondContact O-CA 3.28Å; C193-L196 WeakPolarHBondContact O-CB 2.99Å; C193-L196 PolarHBondContact O-N 2.89Å; L196-M198 VanDerWaalsContact C-N 3.25Å; L196-M198 HydrophobicContact CB-CG 4.11Å; L196-M198 PolarHBondContact O-N 3.01Å |
| 197 | G | 83.5 | Confident | 91.3 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 80% | 0.804 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 19.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D195 | D195-G197 VanDerWaalsContact C-N 3.33Š|
| 198 | M | 86.8 | Confident | 91.7 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -126.3 | 156.2 | 173.8 | 64.9 | 170.9 | 37.6 | 0 | 0 | 109.5 | I142 C193 L196 | I142-M198 HydrophobicContact CD1-CE 3.77Å; I142-M198 HydrophobicContact CD1-SD 4.42Å; C193-M198 CarbonylContact C-O 3.59Å; C193-M198 HydrophobicContact CB-CG 3.53Å; C193-M198 WeakPolarHBondContact CB-O 3.42Å; C193-M198 HydrophobicContact CB-SD 4.2Å; C193-M198 VanDerWaalsContact O-O 3.06Å; L196-M198 VanDerWaalsContact C-N 3.25Å; L196-M198 HydrophobicContact CB-CG 4.11Å; L196-M198 PolarHBondContact O-N 3.01Å |
| 199 | T | 88.9 | Confident | 92 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 75% | 0.748 | 30% | 0.296 | S | S | * | . | trans | -101.9 | 126.8 | 177 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 200 | C | 92.2 | Very high | 92.2 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | trans | -125.3 | 163.9 | 179.3 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | D191 P192 C193 V228 | D191-C200 PolarHBondContact OD1-N 2.82Å; P192-C200 HydrophobicContact CG-CB 4.3Å; C193-C200 HydrophobicContact CB-CB 3.64Å; C193-C200 WeakPolarHBondContact CB-SG 3.01Å; C193-C200 WeakPolarHBondContact SG-CB 3.09Å; C193-C200 CovalentContact SG-SG 2.02Å; C193-C200 PolarHBondContact SG-SG 3.1Å; C200-V228 WeakPolarHBondContact CA-O 3.49Å; C200-V228 WeakPolarHBondContact CB-O 3.16Å | ||
| 201 | H | 94.3 | Very high | 92.4 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -73 | 156.2 | 171.6 | -79.9 | -48.6 | 0 | 0 | 0 | 111.5 | P192 H227 V228 S229 | P192-H201 VanDerWaalsContact CD-O 3.3Å; P192-H201 WeakPolarHBondContact CD-O 3.29Å; P192-H201 VanDerWaalsContact CG-O 3.28Å; P192-H201 WeakPolarHBondContact CG-O 3.5Å; H201-H227 VanDerWaalsContact CD2-CB 3.47Å; H201-H227 WeakPolarHBondContact CD2-CB 3.4Å; H201-H227 AromaticContact CD2-CG 3.94Å; H201-H227 AromaticContact NE2-CG 3.6Å; H201-H227 AromaticContact NE2-ND1 3.44Å; H201-H227 PolarHBondContact NE2-ND1 3.5Å; H201-V228 PolarHBondContact N-O 2.89Å; H201-S229 WeakPolarHBondContact O-CB 3.36Å; H201-S229 PolarHBondContact O-OG 3.26Å |
| 202 | P | 95.1 | Very high | 92.5 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 144.8 | 170 | -24.7 | 34.5 | 0 | 0 | 0 | 112.3 | ||
| 203 | T | 95 | Very high | 92.5 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 141.4 | 178.7 | -36.5 | 0 | 0 | 0 | 0 | 112.3 | V174 E175 P177 I182 S229 A230 | V174-T203 HydrophobicContact CB-CG2 4.3Å; V174-T203 HydrophobicContact CG1-CG2 3.96Å; E175-T203 HydrophobicContact CB-CG2 4.47Å; P177-T203 WeakPolarHBondContact CB-O 3.43Å; I182-T203 HydrophobicContact CG2-CG2 3.56Å; T203-S229 VanDerWaalsContact CA-OG 3.24Å; T203-S229 WeakPolarHBondContact CA-OG 3.39Å; T203-S229 PolarHBondContact N-OG 3.32Å; T203-A230 WeakPolarHBondContact CG2-O 3.29Å; T203-A230 PolarHBondContact OG1-O 2.8Å |
| 204 | F | 95.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | trans | -144.7 | 153.3 | 178.4 | 61.8 | -88.7 | 0 | 0 | 0 | 110 | L137 S172 V174 E175 K207 E296 | L137-F204 HydrophobicContact CB-CZ 4.45Å; L137-F204 HydrophobicContact CD1-CZ 4.34Å; S172-F204 WeakPolarHBondContact OG-CE2 3.31Å; S172-F204 WeakPolarHBondContact OG-CZ 3.48Å; V174-F204 WeakPolarHBondContact CB-O 2.77Å; V174-F204 HydrophobicContact CG2-CD1 4.46Å; V174-F204 HydrophobicContact CG2-CE1 3.95Å; V174-F204 HydrophobicContact CG2-CE2 4.35Å; V174-F204 HydrophobicContact CG2-CZ 3.89Å; V174-F204 PolarHBondContact N-O 3.07Å; E175-F204 PolarHBondContact N-O 3.3Å; E175-F204 VanDerWaalsContact N-O 3.13Å; E175-F204 CarbonylContact O-C 3.6Å; F204-K207 HydrophobicContact CB-CD 4.28Å; F204-K207 HydrophobicContact CD1-CD 4.18Å; F204-K207 HydrophobicContact CD2-CB 4.2Å; F204-K207 HydrophobicContact CD2-CD 3.59Å; F204-K207 HydrophobicContact CD2-CG 3.62Å; F204-K207 HydrophobicContact CE1-CD 4.45Å; F204-K207 HydrophobicContact CE2-CB 4.11Å; F204-K207 HydrophobicContact CE2-CD 3.9Å; F204-K207 HydrophobicContact CE2-CG 4Å; F204-K207 HydrophobicContact CG-CD 3.74Å; F204-K207 HydrophobicContact CG-CG 4.2Å; F204-K207 HydrophobicContact CZ-CD 4.32Å; F204-E296 VanDerWaalsContact CB-OE1 3.29Å; F204-E296 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 205 | G | 94.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -71.8 | -78.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F173 V174 E175 | F173-G205 WeakPolarHBondContact CA-O 3.38Å; F173-G205 VanDerWaalsContact CB-O 3.23Å; F173-G205 WeakPolarHBondContact CB-O 3.32Å; V174-G205 PolarHBondContact N-O 3.04Å; V174-G205 VanDerWaalsContact N-O 3.13Å; E175-G205 WeakPolarHBondContact O-CA 3.49Å; E175-G205 PolarHBondContact O-N 2.97Å |
| 206 | Y | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 138.4 | 177.8 | 166.7 | -117.3 | 0 | 0 | 0 | 111 | Y132 M134 S172 H208 A241 Q244 L291 Y297 | Y132-Y206 PolarHBondContact OH-OH 2.94Å; M134-Y206 HydrophobicContact CE-CD2 4.16Å; M134-Y206 HydrophobicContact CE-CE2 3.43Å; M134-Y206 VanDerWaalsContact CE-CE2 3.43Å; M134-Y206 HydrophobicContact SD-CD2 3.87Å; M134-Y206 HydrophobicContact SD-CE2 3.41Å; M134-Y206 WeakPolarHBondContact SD-CE2 3.41Å; S172-Y206 VanDerWaalsContact O-CD2 3.28Å; S172-Y206 WeakPolarHBondContact O-CD2 3.4Å; Y206-H208 HydrophobicContact CE1-CB 4.37Å; Y206-A241 HydrophobicContact CD2-CB 3.52Å; Y206-A241 HydrophobicContact CE2-CB 4.21Å; Y206-A241 HydrophobicContact CG-CB 3.88Å; Y206-Q244 HydrophobicContact CD1-CB 3.57Å; Y206-Q244 HydrophobicContact CD1-CG 4.12Å; Y206-Q244 HydrophobicContact CE1-CB 3.58Å; Y206-L291 HydrophobicContact CD1-CD2 3.84Å; Y206-L291 HydrophobicContact CE1-CD1 4.35Å; Y206-L291 HydrophobicContact CE1-CD2 3.74Å; Y206-Y297 PolarHBondContact O-N 2.92Å |
| 207 | K | 97.6 | Very high | 92.8 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 27% | 0.27 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.1 | 174.8 | -73.2 | 175.5 | 178.9 | 165 | 0 | 110.6 | G171 S172 F204 I209 E296 | G171-K207 WeakPolarHBondContact CA-O 3.23Å; S172-K207 PolarHBondContact N-O 3.09Å; S172-K207 PolarHBondContact O-N 3.13Å; F204-K207 HydrophobicContact CB-CD 4.28Å; F204-K207 HydrophobicContact CD1-CD 4.18Å; F204-K207 HydrophobicContact CD2-CB 4.2Å; F204-K207 HydrophobicContact CD2-CD 3.59Å; F204-K207 HydrophobicContact CD2-CG 3.62Å; F204-K207 HydrophobicContact CE1-CD 4.45Å; F204-K207 HydrophobicContact CE2-CB 4.11Å; F204-K207 HydrophobicContact CE2-CD 3.9Å; F204-K207 HydrophobicContact CE2-CG 4Å; F204-K207 HydrophobicContact CG-CD 3.74Å; F204-K207 HydrophobicContact CG-CG 4.2Å; F204-K207 HydrophobicContact CZ-CD 4.32Å; K207-I209 HydrophobicContact CB-CG1 4.38Å; K207-E296 WeakPolarHBondContact CE-OE1 3.17Å; K207-E296 WeakPolarHBondContact CE-OE2 3.45Å; K207-E296 HydrophobicContact CG-CB 4.21Å; K207-E296 HydrophobicContact CG-CG 3.93Å; K207-E296 IonicContact NZ-OE1 3.95Å; K207-E296 IonicContact NZ-OE2 2.73Å |
| 208 | H | 98 | Very high | 93.1 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.4 | 165.7 | 169.5 | 64 | 0 | 0 | 0 | 109.4 | Y132 Y206 L210 S211 R251 I252 L291 N295 | Y132-H208 AromaticContact CE2-CE1 3.91Å; Y132-H208 AromaticContact CE2-ND1 3.66Å; Y132-H208 AromaticContact CZ-ND1 3.64Å; Y132-H208 PolarHBondContact OH-ND1 3.21Å; Y206-H208 HydrophobicContact CE1-CB 4.37Å; H208-L210 PolarHBondContact CE1-O 2.75Å; H208-L210 VanDerWaalsContact CE1-O 3.29Å; H208-S211 PolarHBondContact CE1-N 3.14Å; H208-S211 VanDerWaalsContact CE1-N 3.32Å; H208-S211 PolarHBondContact NE2-OG 3.25Å; H208-S211 VanDerWaalsContact NE2-OG 3.11Å; H208-R251 PolarHBondContact NE2-O 2.59Å; H208-I252 HydrophobicContact CB-CD1 4.29Å; H208-I252 VanDerWaalsContact ND1-CD1 3.34Å; H208-I252 WeakPolarHBondContact ND1-CD1 3.17Å; H208-L291 HydrophobicContact CB-CD1 3.92Å; H208-N295 HydrophobicContact CB-CB 4.04Å; H208-N295 PolarHBondContact N-O 3.07Å; H208-N295 WeakPolarHBondContact O-CB 3.33Å |
| 209 | I | 96.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | -45.8 | -170.7 | -58 | 161.6 | 0 | 0 | 0 | 111.5 | F170 S172 K207 I222 | F170-I209 HydrophobicContact CD1-CB 4.02Å; F170-I209 HydrophobicContact CD1-CD1 3.64Å; F170-I209 HydrophobicContact CD1-CG1 4.4Å; F170-I209 HydrophobicContact CD1-CG2 4.42Å; F170-I209 HydrophobicContact CE1-CD1 3.45Å; F170-I209 VanDerWaalsContact CE1-CD1 3.45Å; F170-I209 PolarHBondContact O-N 3.13Å; F170-I209 VanDerWaalsContact O-N 3.1Å; S172-I209 WeakPolarHBondContact OG-CD1 3.46Å; K207-I209 HydrophobicContact CB-CG1 4.38Å; I209-I222 HydrophobicContact CB-CG2 4.39Å; I209-I222 HydrophobicContact CG2-CD1 4.45Å; I209-I222 HydrophobicContact CG2-CG2 3.35Å |
| 210 | L | 96.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.3 | 179.6 | 179.7 | 62.2 | 0 | 0 | 0 | 110.7 | G169 F170 H208 T213 F219 I222 | G169-L210 CarbonylContact C-O 3.56Å; G169-L210 VanDerWaalsContact CA-O 3.24Å; G169-L210 WeakPolarHBondContact CA-O 3.24Å; F170-L210 HydrophobicContact CB-CB 3.94Å; F170-L210 PolarHBondContact N-O 3.45Å; F170-L210 PolarHBondContact O-N 2.94Å; H208-L210 PolarHBondContact CE1-O 2.75Å; H208-L210 VanDerWaalsContact CE1-O 3.29Å; L210-T213 HydrophobicContact CD1-CG2 4Å; L210-T213 HydrophobicContact CD2-CG2 4.29Å; L210-T213 HydrophobicContact CG-CG2 4.36Å; L210-F219 HydrophobicContact CD2-CB 4.05Å; L210-F219 HydrophobicContact CD2-CD2 4.12Å; L210-I222 HydrophobicContact CB-CD1 3.67Å; L210-I222 HydrophobicContact CD1-CD1 3.67Å; L210-I222 HydrophobicContact CD2-CD1 4.15Å; L210-I222 HydrophobicContact CG-CD1 4Å |
| 211 | S | 97.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 151.3 | 167 | -48 | 0 | 0 | 0 | 0 | 111.1 | H208 T213 R251 I252 | H208-S211 PolarHBondContact CE1-N 3.14Å; H208-S211 VanDerWaalsContact CE1-N 3.32Å; H208-S211 PolarHBondContact NE2-OG 3.25Å; H208-S211 VanDerWaalsContact NE2-OG 3.11Å; S211-T213 PolarHBondContact O-N 3.04Å; S211-R251 PolarHBondContact OG-O 2.94Å; S211-R251 VanDerWaalsContact OG-O 3.14Å; S211-I252 WeakPolarHBondContact CA-O 3.29Å |
| 212 | L | 96.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 123.1 | 179.8 | -74.1 | 160.3 | 0 | 0 | 0 | 110.8 | D130 Q167 I252 G253 W254 | D130-L212 HydrophobicContact CB-CD1 3.96Å; D130-L212 HydrophobicContact CB-CD2 4.04Å; Q167-L212 HydrophobicContact CB-CB 4.26Å; Q167-L212 HydrophobicContact CB-CD2 4.38Å; Q167-L212 PolarHBondContact OE1-O 2.79Å; L212-I252 HydrophobicContact CD1-CG2 4Å; L212-I252 HydrophobicContact CG-CG2 4.37Å; L212-I252 PolarHBondContact N-O 3.13Å; L212-G253 WeakPolarHBondContact CD1-O 3.35Å; L212-W254 HydrophobicContact CD1-CD2 3.78Å; L212-W254 HydrophobicContact CD1-CE3 3.44Å; L212-W254 VanDerWaalsContact CD1-CE3 3.44Å; L212-W254 HydrophobicContact CD1-CG 4.31Å; L212-W254 HydrophobicContact CD1-CZ3 3.9Å |
| 213 | T | 94.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151.8 | -178.6 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | Q167 M168 L210 S211 R215 | Q167-T213 WeakPolarHBondContact CA-O 3.02Å; M168-T213 PolarHBondContact N-O 3.25Å; M168-T213 PolarHBondContact O-N 2.95Å; L210-T213 HydrophobicContact CD1-CG2 4Å; L210-T213 HydrophobicContact CD2-CG2 4.29Å; L210-T213 HydrophobicContact CG-CG2 4.36Å; S211-T213 PolarHBondContact O-N 3.04Å; T213-R215 VanDerWaalsContact C-N 3.27Å; T213-R215 PolarHBondContact OG1-N 3.34Å |
| 214 | S | 91.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 41.8 Ų | 41.8 | 62% | 0.622 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -79.2 | -10.6 | 172.2 | 58.7 | 0 | 0 | 0 | 0 | 113 | T216 | S214-T216 PolarHBondContact O-N 2.89Š|
| 215 | R | 90.6 | Very high | 92.5 | Very high | 165 Ų | 165 | 47.7 Ų | 47.7 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | trans | -84.7 | 95.1 | -178.3 | -171.9 | 179.8 | -74.5 | -176.5 | -1.1 | 111.4 | T213 S217 S218 | T213-R215 VanDerWaalsContact C-N 3.27Å; T213-R215 PolarHBondContact OG1-N 3.34Å; R215-S217 VanDerWaalsContact C-N 3.29Å; R215-S217 WeakPolarHBondContact CG-OG 3.37Å; R215-S217 PolarHBondContact O-N 3.07Å; R215-S218 WeakPolarHBondContact CD-OG 3.48Å; R215-S218 WeakPolarHBondContact O-CB 3.49Å; R215-S218 PolarHBondContact O-N 2.75Å | ||
| 216 | T | 82.1 | Confident | 92.4 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -28.9 | -177.6 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | S156 S214 S218 F219 | S156-T216 WeakPolarHBondContact OG-CG2 3.3Å; S214-T216 PolarHBondContact O-N 2.89Å; T216-S218 VanDerWaalsContact C-N 3.26Å; T216-S218 PolarHBondContact O-N 3.33Å; T216-F219 WeakPolarHBondContact O-CB 3.48Å; T216-F219 PolarHBondContact O-N 3.03Å |
| 217 | S | 86.1 | Confident | 92.2 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 177.8 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | R215 F219 N220 E221 | R215-S217 VanDerWaalsContact C-N 3.29Å; R215-S217 WeakPolarHBondContact CG-OG 3.37Å; R215-S217 PolarHBondContact O-N 3.07Å; S217-F219 VanDerWaalsContact C-N 3.26Å; S217-F219 PolarHBondContact O-N 3.31Å; S217-N220 PolarHBondContact O-N 2.03Å; S217-E221 WeakPolarHBondContact O-CG 3.48Å; S217-E221 PolarHBondContact O-N 2.95Å |
| 218 | S | 89.1 | Confident | 92.1 | Very high | 25 Ų | 25 | 52 Ų | 52 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -32.8 | 178.3 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | R215 T216 I222 | R215-S218 WeakPolarHBondContact CD-OG 3.48Å; R215-S218 WeakPolarHBondContact O-CB 3.49Å; R215-S218 PolarHBondContact O-N 2.75Å; T216-S218 VanDerWaalsContact C-N 3.26Å; T216-S218 PolarHBondContact O-N 3.33Å; S218-I222 WeakPolarHBondContact O-CB 3.23Å; S218-I222 VanDerWaalsContact O-CG1 3.28Å; S218-I222 WeakPolarHBondContact O-CG1 3.03Å; S218-I222 PolarHBondContact O-N 2.91Å; S218-I222 VanDerWaalsContact O-N 3.12Å |
| 219 | F | 89.5 | Confident | 91.9 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -52.5 | 174 | -175.3 | -88.8 | 0 | 0 | 0 | 111.2 | Y133 M168 F170 L210 T216 S217 E221 I222 I223 | Y133-F219 HydrophobicContact CD1-CZ 4.44Å; Y133-F219 HydrophobicContact CG-CZ 4.28Å; M168-F219 HydrophobicContact CG-CD2 3.88Å; M168-F219 HydrophobicContact CG-CE2 4.09Å; M168-F219 HydrophobicContact SD-CB 4.43Å; M168-F219 HydrophobicContact SD-CD1 4.11Å; M168-F219 HydrophobicContact SD-CD2 3.47Å; M168-F219 WeakPolarHBondContact SD-CD2 3.27Å; M168-F219 HydrophobicContact SD-CE1 4.2Å; M168-F219 HydrophobicContact SD-CE2 3.58Å; M168-F219 VanDerWaalsContact SD-CE2 3.58Å; M168-F219 HydrophobicContact SD-CG 3.74Å; M168-F219 HydrophobicContact SD-CZ 3.96Å; F170-F219 HydrophobicContact CB-CD2 4.08Å; F170-F219 HydrophobicContact CB-CE2 3.8Å; F170-F219 AromaticContact CD2-CE2 3.82Å; F170-F219 HydrophobicContact CD2-CE2 3.82Å; F170-F219 HydrophobicContact CD2-CZ 4.11Å; F170-F219 HydrophobicContact CG-CE2 4.15Å; L210-F219 HydrophobicContact CD2-CB 4.05Å; L210-F219 HydrophobicContact CD2-CD2 4.12Å; T216-F219 WeakPolarHBondContact O-CB 3.48Å; T216-F219 PolarHBondContact O-N 3.03Å; S217-F219 VanDerWaalsContact C-N 3.26Å; S217-F219 PolarHBondContact O-N 3.31Å; F219-E221 VanDerWaalsContact C-N 3.3Å; F219-E221 PolarHBondContact O-N 3.12Å; F219-I222 PolarHBondContact O-N 3.38Å; F219-I222 VanDerWaalsContact O-N 3.13Å; F219-I223 HydrophobicContact CD1-CG1 3.78Å; F219-I223 HydrophobicContact CE1-CD1 4.02Å; F219-I223 HydrophobicContact CE1-CG1 3.45Å; F219-I223 VanDerWaalsContact CE1-CG1 3.45Å; F219-I223 HydrophobicContact CE2-CD1 4.39Å; F219-I223 HydrophobicContact CE2-CG1 4.42Å; F219-I223 HydrophobicContact CG-CG1 4.41Å; F219-I223 HydrophobicContact CZ-CD1 3.86Å; F219-I223 HydrophobicContact CZ-CG1 3.8Å; F219-I223 WeakPolarHBondContact O-CG1 3.41Å; F219-I223 PolarHBondContact O-N 2.68Å |
| 220 | N | 89.3 | Confident | 91.8 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -40.1 | -179.8 | -66.8 | 4.1 | 0 | 0 | 0 | 111.9 | K149 G152 S153 S217 I222 A224 | K149-N220 PolarHBondContact O-OD1 2.86Å; G152-N220 WeakPolarHBondContact CA-OD1 3.37Å; G152-N220 PolarHBondContact N-OD1 3.46Å; S153-N220 PolarHBondContact N-OD1 3.45Å; S217-N220 PolarHBondContact O-N 2.03Å; N220-I222 VanDerWaalsContact C-N 3.33Å; N220-I222 PolarHBondContact O-N 2.92Å; N220-A224 WeakPolarHBondContact O-CB 3.47Å; N220-A224 PolarHBondContact O-N 3.2Å; N220-A224 VanDerWaalsContact O-N 3.09Å |
| 221 | E | 91.6 | Very high | 91.6 | Very high | 112 Ų | 112 | 50.5 Ų | 50.5 | 52% | 0.523 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.3 | -74.6 | 167.5 | -158.9 | 0 | 0 | 112.3 | S217 F219 Q225 | S217-E221 WeakPolarHBondContact O-CG 3.48Å; S217-E221 PolarHBondContact O-N 2.95Å; F219-E221 VanDerWaalsContact C-N 3.3Å; F219-E221 PolarHBondContact O-N 3.12Å; E221-Q225 WeakPolarHBondContact O-CG 3.4Å; E221-Q225 PolarHBondContact O-NE2 3.01Å |
| 222 | I | 92.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.3 | -44.7 | -179.7 | -75.8 | 172.6 | 0 | 0 | 0 | 111.6 | F170 I209 L210 S218 F219 N220 A224 Q225 Q226 | F170-I222 HydrophobicContact CD1-CG2 4.08Å; I209-I222 HydrophobicContact CB-CG2 4.39Å; I209-I222 HydrophobicContact CG2-CD1 4.45Å; I209-I222 HydrophobicContact CG2-CG2 3.35Å; L210-I222 HydrophobicContact CB-CD1 3.67Å; L210-I222 HydrophobicContact CD1-CD1 3.67Å; L210-I222 HydrophobicContact CD2-CD1 4.15Å; L210-I222 HydrophobicContact CG-CD1 4Å; S218-I222 WeakPolarHBondContact O-CB 3.23Å; S218-I222 VanDerWaalsContact O-CG1 3.28Å; S218-I222 WeakPolarHBondContact O-CG1 3.03Å; S218-I222 PolarHBondContact O-N 2.91Å; S218-I222 VanDerWaalsContact O-N 3.12Å; F219-I222 PolarHBondContact O-N 3.38Å; F219-I222 VanDerWaalsContact O-N 3.13Å; N220-I222 VanDerWaalsContact C-N 3.33Å; N220-I222 PolarHBondContact O-N 2.92Å; I222-A224 PolarHBondContact O-N 3.48Å; I222-Q225 PolarHBondContact O-N 3.12Å; I222-Q226 WeakPolarHBondContact O-CG 3.24Å; I222-Q226 PolarHBondContact O-N 3.34Å; I222-Q226 PolarHBondContact O-NE2 2.93Å |
| 223 | I | 91.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 176.8 | -68.1 | -60.7 | 0 | 0 | 0 | 110.7 | L145 I148 K149 F170 F219 Q225 Q226 | L145-I223 HydrophobicContact CD1-CG2 4.1Å; I148-I223 HydrophobicContact CD1-CD1 4.02Å; I148-I223 HydrophobicContact CD1-CG2 4.22Å; I148-I223 HydrophobicContact CG1-CG2 3.97Å; K149-I223 HydrophobicContact CG-CG2 4.29Å; F170-I223 HydrophobicContact CD1-CD1 4.14Å; F170-I223 HydrophobicContact CD2-CD1 3.54Å; F170-I223 HydrophobicContact CE1-CD1 3.94Å; F170-I223 HydrophobicContact CE2-CD1 3.28Å; F170-I223 HydrophobicContact CG-CD1 3.98Å; F170-I223 HydrophobicContact CZ-CD1 3.51Å; F219-I223 HydrophobicContact CD1-CG1 3.78Å; F219-I223 HydrophobicContact CE1-CD1 4.02Å; F219-I223 HydrophobicContact CE1-CG1 3.45Å; F219-I223 VanDerWaalsContact CE1-CG1 3.45Å; F219-I223 HydrophobicContact CE2-CD1 4.39Å; F219-I223 HydrophobicContact CE2-CG1 4.42Å; F219-I223 HydrophobicContact CG-CG1 4.41Å; F219-I223 HydrophobicContact CZ-CD1 3.86Å; F219-I223 HydrophobicContact CZ-CG1 3.8Å; F219-I223 WeakPolarHBondContact O-CG1 3.41Å; F219-I223 PolarHBondContact O-N 2.68Å; I223-Q225 PolarHBondContact O-N 3.47Å; I223-Q225 VanDerWaalsContact O-N 3.14Å; I223-Q226 PolarHBondContact O-N 3.46Å |
| 224 | A | 89.4 | Confident | 90.6 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | N220 I222 | N220-A224 WeakPolarHBondContact O-CB 3.47Å; N220-A224 PolarHBondContact O-N 3.2Å; N220-A224 VanDerWaalsContact O-N 3.09Å; I222-A224 PolarHBondContact O-N 3.48Å |
| 225 | Q | 91.9 | Very high | 90.8 | Very high | 133 Ų | 133 | 56.1 Ų | 56.1 | 62% | 0.621 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -12.6 | 180 | -64.6 | 172.7 | 28.4 | 0 | 0 | 113.3 | E221 I222 I223 H227 | E221-Q225 WeakPolarHBondContact O-CG 3.4Å; E221-Q225 PolarHBondContact O-NE2 3.01Å; I222-Q225 PolarHBondContact O-N 3.12Å; I223-Q225 PolarHBondContact O-N 3.47Å; I223-Q225 VanDerWaalsContact O-N 3.14Å; Q225-H227 PolarHBondContact O-CE1 3.28Å; Q225-H227 VanDerWaalsContact O-CE1 3.3Å; Q225-H227 PolarHBondContact O-ND1 3.13Å |
| 226 | Q | 93 | Very high | 91 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | trans | -70.7 | 149.6 | 179.2 | -58.6 | -45.6 | -56.7 | 0 | 0 | 110.9 | L137 L145 F170 I222 I223 | L137-Q226 HydrophobicContact CD1-CB 4.31Å; L145-Q226 HydrophobicContact CD1-CB 4.02Å; L145-Q226 HydrophobicContact CD2-CB 4.09Å; L145-Q226 WeakPolarHBondContact CD2-O 3.34Å; F170-Q226 HydrophobicContact CE1-CG 3.79Å; F170-Q226 HydrophobicContact CZ-CG 4.31Å; I222-Q226 WeakPolarHBondContact O-CG 3.24Å; I222-Q226 PolarHBondContact O-N 3.34Å; I222-Q226 PolarHBondContact O-NE2 2.93Å; I223-Q226 PolarHBondContact O-N 3.46Å | ||
| 227 | H | 93 | Very high | 91.7 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | trans | -135.1 | 152.8 | 168.8 | -50.5 | 56 | 0 | 0 | 0 | 108.4 | H201 Q225 | H201-H227 VanDerWaalsContact CD2-CB 3.47Å; H201-H227 WeakPolarHBondContact CD2-CB 3.4Å; H201-H227 AromaticContact CD2-CG 3.94Å; H201-H227 AromaticContact NE2-CG 3.6Å; H201-H227 AromaticContact NE2-ND1 3.44Å; H201-H227 PolarHBondContact NE2-ND1 3.5Å; Q225-H227 PolarHBondContact O-CE1 3.28Å; Q225-H227 VanDerWaalsContact O-CE1 3.3Å; Q225-H227 PolarHBondContact O-ND1 3.13Å | ||
| 228 | V | 94.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -69.7 | 161.4 | 175.7 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | L137 I142 L145 C200 H201 | L137-V228 CarbonylContact O-C 3.56Å; L137-V228 VanDerWaalsContact O-CA 3.32Å; L137-V228 WeakPolarHBondContact O-CA 3.23Å; L137-V228 WeakPolarHBondContact O-CB 3.19Å; I142-V228 HydrophobicContact CB-CG1 4.05Å; I142-V228 HydrophobicContact CB-CG2 4.25Å; I142-V228 HydrophobicContact CD1-CG2 4.12Å; I142-V228 HydrophobicContact CG1-CG1 4.38Å; I142-V228 HydrophobicContact CG1-CG2 4.14Å; L145-V228 HydrophobicContact CD2-CG1 4.44Å; C200-V228 WeakPolarHBondContact CA-O 3.49Å; C200-V228 WeakPolarHBondContact CB-O 3.16Å; H201-V228 PolarHBondContact N-O 2.89Å | ||
| 229 | S | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -128.5 | -176.3 | 173.5 | 160 | 0 | 0 | 0 | 0 | 107.9 | L137 S138 A139 H201 T203 | L137-S229 PolarHBondContact O-N 3.37Å; S138-S229 CarbonylContact C-O 3.51Å; S138-S229 VanDerWaalsContact C-O 3.26Å; A139-S229 WeakPolarHBondContact CA-O 3.49Å; A139-S229 PolarHBondContact N-O 2.93Å; H201-S229 WeakPolarHBondContact O-CB 3.36Å; H201-S229 PolarHBondContact O-OG 3.26Å; T203-S229 VanDerWaalsContact CA-OG 3.24Å; T203-S229 WeakPolarHBondContact CA-OG 3.39Å; T203-S229 PolarHBondContact N-OG 3.32Å | ||
| 230 | A | 92.9 | Very high | 93 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | trans | -143.9 | 155.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A139 P192 T203 | A139-A230 HydrophobicContact CB-CB 4.15Å; P192-A230 HydrophobicContact CB-CB 4.04Å; P192-A230 HydrophobicContact CG-CB 4.13Å; T203-A230 WeakPolarHBondContact CG2-O 3.29Å; T203-A230 PolarHBondContact OG1-O 2.8Å | ||
| 231 | N | 91.8 | Very high | 93.4 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | trans | -123.3 | 179.3 | 169.9 | 57.5 | -36.3 | 0 | 0 | 0 | 108.5 | V174 E175 D233 V235 E236 | V174-N231 HydrophobicContact CG1-CB 4.3Å; E175-N231 HydrophobicContact CB-CB 3.91Å; E175-N231 HydrophobicContact CG-CB 4.43Å; N231-D233 PolarHBondContact ND2-O 3.3Å; N231-V235 PolarHBondContact ND2-O 3.31Å; N231-E236 PolarHBondContact ND2-OE1 2.9Å; N231-E236 PolarHBondContact ND2-OE2 2.77Å; N231-E236 PolarHBondContact OD1-OE1 3.24Å | ||
| 232 | N | 91.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 35.9 Ų | 35.9 | 52% | 0.524 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -104.4 | -23.2 | -172.1 | -176.1 | 73.4 | 0 | 0 | 0 | 113.3 | Y181 | Y181-N232 WeakPolarHBondContact O-CB 3.28Å; Y181-N232 PolarHBondContact O-N 3.12Å |
| 233 | D | 88.9 | Confident | 94 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -105.1 | 173.7 | 175.4 | 52.5 | -27.2 | 0 | 0 | 0 | 112.3 | Y181 N231 H271 | Y181-D233 WeakPolarHBondContact CD1-OD2 3.5Å; N231-D233 PolarHBondContact ND2-O 3.3Å; D233-H271 IonicContact OD2-NE2 3.45Å; D233-H271 PolarHBondContact OD2-NE2 2.81Å; D233-H271 VanDerWaalsContact OD2-NE2 3.16Å |
| 234 | D | 87.6 | Confident | 94.3 | Very high | 145 Ų | 145 | 34.6 Ų | 34.6 | 78% | 0.775 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -93.7 | 5.6 | -176 | -61 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 235 | V | 94.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 31.7 Ų | 31.7 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142 | -174.9 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | N231 D269 H271 | N231-V235 PolarHBondContact ND2-O 3.31Å; V235-D269 HydrophobicContact CG1-CB 4.33Å; V235-D269 WeakPolarHBondContact CG1-O 3.34Å; V235-D269 HydrophobicContact CG2-CB 4.45Å; V235-H271 HydrophobicContact CG1-CB 4.17Å; V235-H271 VanDerWaalsContact CG1-N 3.32Å |
| 236 | E | 95.6 | Very high | 95 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 166.8 | -168.5 | -53.4 | -61.4 | 156.8 | 0 | 0 | 112.9 | F173 V174 E175 N231 G238 D269 S270 H271 | F173-E236 HydrophobicContact CD2-CB 4.37Å; F173-E236 HydrophobicContact CE2-CB 4.01Å; V174-E236 WeakPolarHBondContact O-CB 2.99Å; V174-E236 VanDerWaalsContact O-OE2 3.13Å; E175-E236 VanDerWaalsContact OE2-CA 3.23Å; E175-E236 WeakPolarHBondContact OE2-CA 3.45Å; N231-E236 PolarHBondContact ND2-OE1 2.9Å; N231-E236 PolarHBondContact ND2-OE2 2.77Å; N231-E236 PolarHBondContact OD1-OE1 3.24Å; E236-G238 PolarHBondContact O-N 2.91Å; E236-D269 PolarHBondContact N-O 2.84Å; E236-S270 CarbonylContact O-C 3.57Å; E236-S270 WeakPolarHBondContact O-CA 3.2Å; E236-H271 PolarHBondContact O-N 3.04Å |
| 237 | A | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -85.3 | 36.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V174 E175 F239 D240 A241 Y306 | V174-A237 PolarHBondContact O-N 2.87Å; E175-A237 PolarHBondContact OE2-N 3.31Å; A237-F239 VanDerWaalsContact C-N 3.28Å; A237-F239 PolarHBondContact O-N 3.45Å; A237-D240 HydrophobicContact CB-CB 4.41Å; A237-D240 WeakPolarHBondContact O-CB 3.4Å; A237-D240 PolarHBondContact O-N 3.02Å; A237-A241 PolarHBondContact O-N 2.81Å; A237-Y306 HydrophobicContact CB-CD1 4.46Å; A237-Y306 HydrophobicContact CB-CE1 3.88Å | ||
| 238 | G | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.7 | -37.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F173 E236 A241 I242 | F173-G238 VanDerWaalsContact CE2-CA 3.46Å; E236-G238 PolarHBondContact O-N 2.91Å; G238-A241 WeakPolarHBondContact O-CB 3.41Å; G238-A241 PolarHBondContact O-N 3.41Å; G238-I242 WeakPolarHBondContact O-CG1 3.34Å; G238-I242 PolarHBondContact O-N 2.5Å |
| 239 | F | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.5 | -29.5 | -178.7 | -71.5 | -1.6 | 0 | 0 | 0 | 113.8 | A237 A241 I242 M243 F272 P307 L312 Y335 Y338 | A237-F239 VanDerWaalsContact C-N 3.28Å; A237-F239 PolarHBondContact O-N 3.45Å; F239-A241 VanDerWaalsContact C-N 3.26Å; F239-A241 PolarHBondContact O-N 3.13Å; F239-I242 HydrophobicContact CD1-CD1 3.97Å; F239-I242 HydrophobicContact CE1-CD1 4.38Å; F239-I242 PolarHBondContact O-N 2.96Å; F239-M243 WeakPolarHBondContact O-CB 3.1Å; F239-M243 PolarHBondContact O-N 2.79Å; F239-F272 HydrophobicContact CD2-CB 3.7Å; F239-F272 HydrophobicContact CE2-CB 3.93Å; F239-F272 HydrophobicContact CE2-CD1 4.47Å; F239-P307 HydrophobicContact CB-CG 3.85Å; F239-P307 WeakPolarHBondContact O-CG 3.45Å; F239-L312 HydrophobicContact CB-CD1 3.85Å; F239-L312 HydrophobicContact CD1-CD1 3.93Å; F239-L312 HydrophobicContact CD2-CD1 4.2Å; F239-L312 HydrophobicContact CG-CD1 3.74Å; F239-Y335 HydrophobicContact CE1-CE1 4.47Å; F239-Y338 AromaticContact CZ-CD2 3.87Å; F239-Y338 HydrophobicContact CZ-CD2 3.87Å; F239-Y338 HydrophobicContact CZ-CE2 4.02Å; F239-Y338 HydrophobicContact CZ-CG 4.29Å |
| 240 | D | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 168.5 | -90.9 | -5.4 | 0 | 0 | 0 | 110 | K176 A237 M243 Q244 Y297 P307 | K176-D240 WeakPolarHBondContact CE-OD2 3.29Å; K176-D240 IonicContact NZ-OD1 3.69Å; K176-D240 PolarHBondContact NZ-OD1 3.39Å; K176-D240 IonicContact NZ-OD2 3.86Å; K176-D240 PolarHBondContact NZ-OD2 3.45Å; A237-D240 HydrophobicContact CB-CB 4.41Å; A237-D240 WeakPolarHBondContact O-CB 3.4Å; A237-D240 PolarHBondContact O-N 3.02Å; D240-M243 PolarHBondContact O-N 3.23Å; D240-Q244 WeakPolarHBondContact O-CG 3.12Å; D240-Q244 PolarHBondContact O-N 2.92Å; D240-Y297 HydrophobicContact CB-CD1 4.33Å; D240-Y297 HydrophobicContact CB-CE1 4.13Å; D240-Y297 WeakPolarHBondContact OD2-CE1 3.44Å; D240-P307 WeakPolarHBondContact OD1-CD 3.21Å |
| 241 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.9 | -44.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M134 F173 Y206 A237 G238 F239 Q244 A245 | M134-A241 HydrophobicContact CE-CB 3.9Å; M134-A241 VanDerWaalsContact CE-O 3.31Å; M134-A241 WeakPolarHBondContact CE-O 3.33Å; M134-A241 HydrophobicContact CG-CB 4.29Å; M134-A241 HydrophobicContact SD-CB 3.81Å; F173-A241 HydrophobicContact CB-CB 3.69Å; F173-A241 HydrophobicContact CD1-CB 3.87Å; F173-A241 HydrophobicContact CG-CB 3.9Å; Y206-A241 HydrophobicContact CD2-CB 3.52Å; Y206-A241 HydrophobicContact CE2-CB 4.21Å; Y206-A241 HydrophobicContact CG-CB 3.88Å; A237-A241 PolarHBondContact O-N 2.81Å; G238-A241 WeakPolarHBondContact O-CB 3.41Å; G238-A241 PolarHBondContact O-N 3.41Å; F239-A241 VanDerWaalsContact C-N 3.26Å; F239-A241 PolarHBondContact O-N 3.13Å; A241-Q244 PolarHBondContact O-N 2.68Å; A241-A245 VanDerWaalsContact O-CB 3.32Å; A241-A245 WeakPolarHBondContact O-CB 3.29Å; A241-A245 PolarHBondContact O-N 3.09Å |
| 242 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 174.8 | -68 | 172.4 | 0 | 0 | 0 | 110.4 | G238 F239 Q244 A245 A246 L262 F264 L312 V316 L323 F325 | G238-I242 WeakPolarHBondContact O-CG1 3.34Å; G238-I242 PolarHBondContact O-N 2.5Å; F239-I242 HydrophobicContact CD1-CD1 3.97Å; F239-I242 HydrophobicContact CE1-CD1 4.38Å; F239-I242 PolarHBondContact O-N 2.96Å; I242-Q244 PolarHBondContact O-N 2.86Å; I242-A245 PolarHBondContact O-N 3.36Å; I242-A246 WeakPolarHBondContact O-CB 3.35Å; I242-A246 PolarHBondContact O-N 3.05Å; I242-L262 HydrophobicContact CG1-CD2 4.31Å; I242-L262 HydrophobicContact CG2-CD1 4.49Å; I242-F264 HydrophobicContact CD1-CD2 3.66Å; I242-F264 HydrophobicContact CD1-CE2 4.09Å; I242-F264 HydrophobicContact CD1-CG 4.19Å; I242-F264 HydrophobicContact CG1-CD2 3.82Å; I242-F264 HydrophobicContact CG1-CE2 4.31Å; I242-L312 HydrophobicContact CB-CD1 4.08Å; I242-L312 HydrophobicContact CD1-CD1 4.43Å; I242-L312 HydrophobicContact CG2-CD1 3.85Å; I242-L312 HydrophobicContact CG2-CD2 4.14Å; I242-L312 HydrophobicContact CG2-CG 3.98Å; I242-V316 HydrophobicContact CG2-CG2 4.09Å; I242-L323 HydrophobicContact CD1-CD2 4.24Å; I242-L323 HydrophobicContact CG1-CD2 4.35Å; I242-L323 HydrophobicContact CG2-CD1 4.1Å; I242-L323 HydrophobicContact CG2-CD2 3.84Å; I242-F325 HydrophobicContact CD1-CE1 3.9Å; I242-F325 HydrophobicContact CD1-CZ 4.49Å |
| 243 | M | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57 | -51.7 | 179.5 | 177.2 | 59 | 74.7 | 0 | 0 | 111.1 | F239 D240 A245 A246 V247 P307 Q311 K315 | F239-M243 WeakPolarHBondContact O-CB 3.1Å; F239-M243 PolarHBondContact O-N 2.79Å; D240-M243 PolarHBondContact O-N 3.23Å; M243-A245 PolarHBondContact O-N 2.96Å; M243-A246 WeakPolarHBondContact O-CB 3.44Å; M243-A246 PolarHBondContact O-N 3Å; M243-A246 VanDerWaalsContact O-N 3.12Å; M243-V247 WeakPolarHBondContact O-CG2 3.49Å; M243-V247 PolarHBondContact O-N 3.15Å; M243-V247 HydrophobicContact SD-CG1 3.82Å; M243-P307 HydrophobicContact CB-CB 4.34Å; M243-P307 HydrophobicContact CB-CG 3.98Å; M243-P307 HydrophobicContact CE-CB 3.58Å; M243-P307 HydrophobicContact CE-CG 4.39Å; M243-P307 HydrophobicContact CG-CB 4.44Å; M243-Q311 HydrophobicContact CE-CB 4.01Å; M243-K315 HydrophobicContact CE-CB 4.22Å; M243-K315 HydrophobicContact CE-CG 3.98Å; M243-K315 HydrophobicContact SD-CB 3.82Å; M243-K315 HydrophobicContact SD-CG 3.65Å |
| 244 | Q | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | -179.4 | -68.8 | -59.7 | -64 | 0 | 0 | 112.4 | Y206 D240 A241 I242 A246 C248 Q288 Y297 | Y206-Q244 HydrophobicContact CD1-CB 3.57Å; Y206-Q244 HydrophobicContact CD1-CG 4.12Å; Y206-Q244 HydrophobicContact CE1-CB 3.58Å; D240-Q244 WeakPolarHBondContact O-CG 3.12Å; D240-Q244 PolarHBondContact O-N 2.92Å; A241-Q244 PolarHBondContact O-N 2.68Å; I242-Q244 PolarHBondContact O-N 2.86Å; Q244-A246 PolarHBondContact O-N 3.24Å; Q244-C248 WeakPolarHBondContact O-CB 3.3Å; Q244-C248 PolarHBondContact O-N 2.81Å; Q244-C248 PolarHBondContact O-SG 3.29Å; Q244-Q288 PolarHBondContact NE2-O 3.41Å; Q244-Y297 VanDerWaalsContact CD-CD2 3.47Å; Q244-Y297 HydrophobicContact CG-CD1 4.5Å; Q244-Y297 HydrophobicContact CG-CD2 3.57Å; Q244-Y297 HydrophobicContact CG-CE2 3.89Å; Q244-Y297 HydrophobicContact CG-CG 3.92Å |
| 245 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -26.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y132 M134 A241 I242 M243 W254 L262 | Y132-A245 HydrophobicContact CD1-CB 4.36Å; Y132-A245 HydrophobicContact CE1-CB 4.31Å; M134-A245 HydrophobicContact CE-CB 3.5Å; M134-A245 VanDerWaalsContact CE-CB 3.5Å; A241-A245 VanDerWaalsContact O-CB 3.32Å; A241-A245 WeakPolarHBondContact O-CB 3.29Å; A241-A245 PolarHBondContact O-N 3.09Å; I242-A245 PolarHBondContact O-N 3.36Å; M243-A245 PolarHBondContact O-N 2.96Å; A245-W254 PolarHBondContact O-NE1 3.06Å; A245-L262 HydrophobicContact CB-CD1 3.76Å |
| 246 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -75.8 | -48.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I242 M243 Q244 V316 N319 I321 | I242-A246 WeakPolarHBondContact O-CB 3.35Å; I242-A246 PolarHBondContact O-N 3.05Å; M243-A246 WeakPolarHBondContact O-CB 3.44Å; M243-A246 PolarHBondContact O-N 3Å; M243-A246 VanDerWaalsContact O-N 3.12Å; Q244-A246 PolarHBondContact O-N 3.24Å; A246-V316 HydrophobicContact CB-CG2 4.39Å; A246-N319 VanDerWaalsContact O-CG 3.3Å; A246-I321 HydrophobicContact CB-CD1 3.66Å |
| 247 | V | 97.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 28.7 Ų | 28.7 | 17% | 0.17 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -87.4 | -23.4 | -172.1 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | M243 G249 G287 Q288 C289 K315 | M243-V247 WeakPolarHBondContact O-CG2 3.49Å; M243-V247 PolarHBondContact O-N 3.15Å; M243-V247 HydrophobicContact SD-CG1 3.82Å; V247-G249 PolarHBondContact O-N 2.75Å; V247-G287 WeakPolarHBondContact CG1-O 3.41Å; V247-Q288 VanDerWaalsContact CG2-C 3.46Å; V247-Q288 WeakPolarHBondContact CG2-O 3.44Å; V247-C289 HydrophobicContact CG2-CB 4.08Å; V247-K315 HydrophobicContact CG1-CB 3.88Å; V247-K315 HydrophobicContact CG1-CD 4.21Å; V247-K315 HydrophobicContact CG1-CG 3.82Å |
| 248 | C | 97.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | trans | -84.9 | 44.4 | 178.9 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | Q244 D250 R251 I252 C289 L291 | Q244-C248 WeakPolarHBondContact O-CB 3.3Å; Q244-C248 PolarHBondContact O-N 2.81Å; Q244-C248 PolarHBondContact O-SG 3.29Å; C248-D250 VanDerWaalsContact C-N 3.27Å; C248-D250 PolarHBondContact O-N 2.99Å; C248-D250 VanDerWaalsContact O-N 3.13Å; C248-R251 HydrophobicContact CB-CB 4.29Å; C248-R251 PolarHBondContact O-N 3.37Å; C248-I252 HydrophobicContact CB-CG1 4.42Å; C248-I252 WeakPolarHBondContact O-CG1 3.16Å; C248-I252 PolarHBondContact O-N 3.08Å; C248-C289 WeakPolarHBondContact CA-SG 3.32Å; C248-C289 HydrophobicContact CB-CB 3.99Å; C248-C289 WeakPolarHBondContact CB-SG 3.44Å; C248-C289 WeakPolarHBondContact SG-CA 3.29Å; C248-C289 WeakPolarHBondContact SG-CB 3.49Å; C248-C289 CovalentContact SG-SG 2.03Å; C248-C289 PolarHBondContact SG-SG 2.93Å; C248-L291 HydrophobicContact CB-CD1 3.89Å; C248-L291 HydrophobicContact CB-CG 4.46Å | ||
| 249 | G | 93.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 21% | 0.206 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54 | -38 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | V247 R251 G253 W254 | V247-G249 PolarHBondContact O-N 2.75Å; G249-R251 VanDerWaalsContact C-N 3.34Å; G249-R251 PolarHBondContact O-N 3.36Å; G249-G253 WeakPolarHBondContact O-CA 3.37Å; G249-G253 PolarHBondContact O-N 3.15Å; G249-W254 PolarHBondContact O-N 3.38Å |
| 250 | D | 92.3 | Very high | 94.7 | Very high | 169 Ų | 169 | 29.9 Ų | 29.9 | 90% | 0.904 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -67.6 | -31.3 | 177.9 | -65.6 | -26.4 | 0 | 0 | 0 | 113.5 | C248 | C248-D250 VanDerWaalsContact C-N 3.27Å; C248-D250 PolarHBondContact O-N 2.99Å; C248-D250 VanDerWaalsContact O-N 3.13Å |
| 251 | R | 95.3 | Very high | 94.6 | Very high | 93 Ų | 93 | 29.8 Ų | 29.8 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -81.9 | -41.7 | 178.9 | -60.7 | -67.6 | -77.5 | -117.6 | -6.1 | 111.1 | H208 S211 C248 G249 L291 D292 N295 | H208-R251 PolarHBondContact NE2-O 2.59Å; S211-R251 PolarHBondContact OG-O 2.94Å; S211-R251 VanDerWaalsContact OG-O 3.14Å; C248-R251 HydrophobicContact CB-CB 4.29Å; C248-R251 PolarHBondContact O-N 3.37Å; G249-R251 VanDerWaalsContact C-N 3.34Å; G249-R251 PolarHBondContact O-N 3.36Å; R251-L291 HydrophobicContact CB-CD1 4.14Å; R251-L291 HydrophobicContact CG-CD1 4.49Å; R251-D292 PolarHBondContact NH2-O 2.65Å; R251-N295 PolarHBondContact NE-OD1 3.46Å; R251-N295 PolarHBondContact NH2-OD1 2.86Å |
| 252 | I | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.4 | -39.6 | 177.4 | -57 | -51.2 | 0 | 0 | 0 | 110.9 | Y132 H208 S211 L212 C248 W254 | Y132-I252 HydrophobicContact CD2-CG2 3.43Å; Y132-I252 VanDerWaalsContact CD2-CG2 3.43Å; Y132-I252 HydrophobicContact CE2-CD1 3.89Å; Y132-I252 HydrophobicContact CE2-CG2 3.71Å; Y132-I252 HydrophobicContact CG-CG2 4.1Å; H208-I252 HydrophobicContact CB-CD1 4.29Å; H208-I252 VanDerWaalsContact ND1-CD1 3.34Å; H208-I252 WeakPolarHBondContact ND1-CD1 3.17Å; S211-I252 WeakPolarHBondContact CA-O 3.29Å; L212-I252 HydrophobicContact CD1-CG2 4Å; L212-I252 HydrophobicContact CG-CG2 4.37Å; L212-I252 PolarHBondContact N-O 3.13Å; C248-I252 HydrophobicContact CB-CG1 4.42Å; C248-I252 WeakPolarHBondContact O-CG1 3.16Å; C248-I252 PolarHBondContact O-N 3.08Å; I252-W254 HydrophobicContact CG2-CD2 4.2Å; I252-W254 HydrophobicContact CG2-CG 4.42Å; I252-W254 HydrophobicContact CG2-CZ2 4.09Å |
| 253 | G | 96.2 | Very high | 94.6 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 32.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L212 G249 R255 | L212-G253 WeakPolarHBondContact CD1-O 3.35Å; G249-G253 WeakPolarHBondContact O-CA 3.37Å; G249-G253 PolarHBondContact O-N 3.15Å; G253-R255 PolarHBondContact O-N 2.84Å |
| 254 | W | 95.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | trans | -62.5 | 127.6 | 179.8 | -66.4 | 122.5 | 0 | 0 | 0 | 111.2 | D130 Y132 L212 A245 G249 I252 R260 I321 | D130-W254 HydrophobicContact CB-CE3 3.63Å; D130-W254 HydrophobicContact CB-CZ3 3.64Å; Y132-W254 VanDerWaalsContact CB-CH2 3.41Å; Y132-W254 HydrophobicContact CG-CZ2 4.39Å; L212-W254 HydrophobicContact CD1-CD2 3.78Å; L212-W254 HydrophobicContact CD1-CE3 3.44Å; L212-W254 VanDerWaalsContact CD1-CE3 3.44Å; L212-W254 HydrophobicContact CD1-CG 4.31Å; L212-W254 HydrophobicContact CD1-CZ3 3.9Å; A245-W254 PolarHBondContact O-NE1 3.06Å; G249-W254 PolarHBondContact O-N 3.38Å; I252-W254 HydrophobicContact CG2-CD2 4.2Å; I252-W254 HydrophobicContact CG2-CG 4.42Å; I252-W254 HydrophobicContact CG2-CZ2 4.09Å; W254-R260 HydrophobicContact CD2-CB 4.25Å; W254-R260 HydrophobicContact CD2-CG 4.19Å; W254-R260 HydrophobicContact CE3-CB 3.6Å; W254-R260 HydrophobicContact CE3-CG 3.63Å; W254-R260 HydrophobicContact CH2-CB 4.29Å; W254-R260 HydrophobicContact CZ3-CB 3.63Å; W254-R260 HydrophobicContact CZ3-CG 4.16Å; W254-I321 HydrophobicContact CZ2-CD1 4.23Å | ||
| 255 | R | 92.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 19% | 0.192 | 16% | 0.158 | C | C | . | . | trans | -77.3 | 150.5 | 175.2 | -62.5 | 179.8 | -73.6 | 174.8 | -5.9 | 111 | V129 D130 N165 G253 S258 R260 | V129-R255 PolarHBondContact O-NH2 3.4Å; D130-R255 IonicContact OD1-CZ 2.82Å; D130-R255 IonicContact OD1-NE 3.29Å; D130-R255 PolarHBondContact OD1-NE 3.39Å; D130-R255 IonicContact OD1-NH2 3.08Å; D130-R255 PolarHBondContact OD1-NH2 3.19Å; D130-R255 VanDerWaalsContact OD2-CB 3.28Å; D130-R255 WeakPolarHBondContact OD2-CB 3.37Å; D130-R255 WeakPolarHBondContact OD2-CG 3.47Å; D130-R255 PolarHBondContact OD2-N 3.13Å; D130-R255 IonicContact OD2-NE 3.01Å; D130-R255 PolarHBondContact OD2-NE 3.26Å; N165-R255 PolarHBondContact ND2-NH1 3.07Å; N165-R255 PolarHBondContact O-NH2 3.03Å; N165-R255 PolarHBondContact OD1-NH1 2.96Å; G253-R255 PolarHBondContact O-N 2.84Å; R255-S258 PolarHBondContact O-OG 3.49Å; R255-R260 PolarHBondContact O-NE 2.79Å; R255-R260 PolarHBondContact O-NH2 2.98Å | ||
| 256 | N | 84.8 | Confident | 94.5 | Very high | 119 Ų | 119 | 29.7 Ų | 29.7 | 64% | 0.636 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -29.5 | 177.7 | -73.3 | -14.4 | 0 | 0 | 0 | 112.6 | R260 Q438 | N256-R260 PolarHBondContact OD1-NH2 3.15Å; N256-Q438 WeakPolarHBondContact O-CG 3.48Å |
| 257 | D | 83.3 | Confident | 94.4 | Very high | 67 Ų | 67 | 32 Ų | 32 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 51.7 | -177 | -55.6 | -46.8 | 0 | 0 | 0 | 111.6 | N96 P128 | N96-D257 PolarHBondContact ND2-OD1 3.08Å; N96-D257 PolarHBondContact ND2-OD2 3.13Å; P128-D257 WeakPolarHBondContact CG-O 3.5Å |
| 258 | S | 89.6 | Confident | 94.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -139.7 | 158.6 | 179.7 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | Y127 P128 D130 R255 | Y127-S258 VanDerWaalsContact CE1-C 3.48Å; P128-S258 CarbonylContact O-C 3.46Å; P128-S258 VanDerWaalsContact O-CA 3.31Å; P128-S258 WeakPolarHBondContact O-CA 3.43Å; D130-S258 VanDerWaalsContact CG-OG 3.29Å; D130-S258 WeakPolarHBondContact OD2-CB 3.47Å; D130-S258 PolarHBondContact OD2-OG 3.12Å; R255-S258 PolarHBondContact O-OG 3.49Å |
| 259 | M | 91.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.1 | 166.1 | -172.2 | 176.9 | -169.7 | 0 | 0 | 107.8 | Y127 P128 V129 D130 L261 L322 Y365 L368 R369 | Y127-M259 HydrophobicContact CD1-CB 3.93Å; Y127-M259 HydrophobicContact CE1-CB 3.99Å; Y127-M259 VanDerWaalsContact CE1-N 3.3Å; P128-M259 PolarHBondContact O-N 3.07Å; V129-M259 HydrophobicContact CG2-CB 4.44Å; D130-M259 PolarHBondContact N-O 3.45Å; M259-L261 HydrophobicContact CE-CD2 4.05Å; M259-L261 HydrophobicContact CG-CD2 3.99Å; M259-L261 HydrophobicContact SD-CD2 4.32Å; M259-L322 HydrophobicContact CE-CD1 3.28Å; M259-L322 HydrophobicContact CG-CD1 3.83Å; M259-L322 HydrophobicContact SD-CD1 4.41Å; M259-Y365 HydrophobicContact SD-CD2 4.13Å; M259-Y365 HydrophobicContact SD-CE2 3.79Å; M259-L368 HydrophobicContact CE-CB 3.52Å; M259-L368 HydrophobicContact CE-CD1 4.01Å; M259-L368 HydrophobicContact CE-CG 4.34Å; M259-R369 HydrophobicContact CE-CG 4.43Å; M259-R369 HydrophobicContact SD-CG 4.4Å |
| 260 | R | 95.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 105.4 | -174.1 | -56.9 | 174.3 | -179.7 | -176.1 | -7.4 | 109.2 | W254 R255 N256 N319 N320 I321 L322 | W254-R260 HydrophobicContact CD2-CB 4.25Å; W254-R260 HydrophobicContact CD2-CG 4.19Å; W254-R260 HydrophobicContact CE3-CB 3.6Å; W254-R260 HydrophobicContact CE3-CG 3.63Å; W254-R260 HydrophobicContact CH2-CB 4.29Å; W254-R260 HydrophobicContact CZ3-CB 3.63Å; W254-R260 HydrophobicContact CZ3-CG 4.16Å; R255-R260 PolarHBondContact O-NE 2.79Å; R255-R260 PolarHBondContact O-NH2 2.98Å; N256-R260 PolarHBondContact OD1-NH2 3.15Å; R260-N319 WeakPolarHBondContact CD-O 3.4Å; R260-N319 PolarHBondContact NH1-O 3.33Å; R260-N320 WeakPolarHBondContact CB-O 3.33Å; R260-I321 HydrophobicContact CB-CG1 4.11Å; R260-L322 PolarHBondContact O-N 3.17Å |
| 261 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.8 | 179.2 | -54.8 | 179.4 | 0 | 0 | 0 | 109.4 | V129 D130 M131 Y132 M259 L322 I324 Y365 L368 | V129-L261 HydrophobicContact CG1-CD1 3.63Å; V129-L261 HydrophobicContact CG1-CG 4.09Å; D130-L261 PolarHBondContact O-N 3.39Å; M131-L261 CarbonylContact C-O 3.54Å; M131-L261 VanDerWaalsContact CA-O 3.32Å; M131-L261 WeakPolarHBondContact CA-O 3.49Å; M131-L261 HydrophobicContact CB-CB 4.43Å; M131-L261 HydrophobicContact CG-CB 4.1Å; Y132-L261 PolarHBondContact N-O 3.4Å; M259-L261 HydrophobicContact CE-CD2 4.05Å; M259-L261 HydrophobicContact CG-CD2 3.99Å; M259-L261 HydrophobicContact SD-CD2 4.32Å; L261-L322 HydrophobicContact CD2-CB 4.03Å; L261-L322 HydrophobicContact CD2-CD1 4.05Å; L261-I324 HydrophobicContact CB-CD1 4.38Å; L261-I324 HydrophobicContact CD2-CD1 4.41Å; L261-Y365 HydrophobicContact CD1-CD2 3.98Å; L261-L368 HydrophobicContact CD2-CD1 3.97Å |
| 262 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 108.4 | 171.2 | -169.3 | 167.6 | 0 | 0 | 0 | 108.1 | M134 I242 A245 F264 I321 L322 L323 I324 | M134-L262 HydrophobicContact CB-CD2 4.01Å; I242-L262 HydrophobicContact CG1-CD2 4.31Å; I242-L262 HydrophobicContact CG2-CD1 4.49Å; A245-L262 HydrophobicContact CB-CD1 3.76Å; L262-F264 HydrophobicContact CD2-CB 4.39Å; L262-I321 HydrophobicContact CB-CG2 3.58Å; L262-I321 HydrophobicContact CD1-CG2 4.16Å; L262-L322 PolarHBondContact N-O 3.21Å; L262-L323 HydrophobicContact CB-CD2 3.92Å; L262-L323 HydrophobicContact CD1-CD2 4.09Å; L262-L323 HydrophobicContact CD2-CD2 3.7Å; L262-L323 HydrophobicContact CG-CD2 4.09Å; L262-I324 PolarHBondContact O-N 3.03Å |
| 263 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 108.9 | -179.9 | -175.4 | 0 | 0 | 0 | 0 | 108 | M131 Y132 Y133 M134 V265 I324 I357 I361 | M131-V263 HydrophobicContact CG-CG2 3.79Å; M131-V263 HydrophobicContact SD-CG2 3.91Å; Y132-V263 PolarHBondContact O-N 3.18Å; Y133-V263 HydrophobicContact CD2-CB 4.4Å; Y133-V263 HydrophobicContact CD2-CG1 4.33Å; Y133-V263 HydrophobicContact CE2-CG1 4.42Å; M134-V263 WeakPolarHBondContact CA-O 3.44Å; M134-V263 WeakPolarHBondContact CB-O 3.36Å; M134-V263 PolarHBondContact N-O 3.18Å; V263-V265 HydrophobicContact CG1-CG2 3.86Å; V263-I324 HydrophobicContact CG2-CB 4.45Å; V263-I324 HydrophobicContact CG2-CD1 4.19Å; V263-I357 HydrophobicContact CG1-CD1 4.35Å; V263-I361 HydrophobicContact CG1-CD1 4.1Å; V263-I361 HydrophobicContact CG1-CG1 3.98Å; V263-I361 HydrophobicContact CG2-CD1 4.23Å; V263-I361 HydrophobicContact CG2-CG1 4.07Å |
| 264 | F | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.8 | 177.1 | -179.8 | -89.7 | 0 | 0 | 0 | 109.9 | M134 F173 I242 L262 I324 F325 A326 V327 Y335 | M134-F264 HydrophobicContact CG-CD2 4.4Å; F173-F264 HydrophobicContact CD1-CE2 4.47Å; F173-F264 HydrophobicContact CE1-CD2 4.03Å; F173-F264 AromaticContact CE1-CE2 3.5Å; F173-F264 HydrophobicContact CE1-CE2 3.5Å; F173-F264 VanDerWaalsContact CE1-CE2 3.5Å; F173-F264 HydrophobicContact CE1-CZ 4.09Å; F173-F264 HydrophobicContact CE2-CE2 4.14Å; F173-F264 HydrophobicContact CE2-CZ 4.12Å; F173-F264 HydrophobicContact CZ-CD2 4.19Å; F173-F264 HydrophobicContact CZ-CE1 4.37Å; F173-F264 AromaticContact CZ-CE2 3.28Å; F173-F264 HydrophobicContact CZ-CE2 3.28Å; F173-F264 AromaticContact CZ-CZ 3.41Å; F173-F264 HydrophobicContact CZ-CZ 3.41Å; F173-F264 VanDerWaalsContact CZ-CZ 3.41Å; I242-F264 HydrophobicContact CD1-CD2 3.66Å; I242-F264 HydrophobicContact CD1-CE2 4.09Å; I242-F264 HydrophobicContact CD1-CG 4.19Å; I242-F264 HydrophobicContact CG1-CD2 3.82Å; I242-F264 HydrophobicContact CG1-CE2 4.31Å; L262-F264 HydrophobicContact CD2-CB 4.39Å; F264-I324 PolarHBondContact N-O 3.26Å; F264-F325 HydrophobicContact CB-CD1 3.92Å; F264-F325 HydrophobicContact CB-CE1 4.35Å; F264-F325 AromaticContact CD1-CD1 3.69Å; F264-F325 HydrophobicContact CD1-CD1 3.69Å; F264-F325 HydrophobicContact CD1-CE1 4.23Å; F264-F325 HydrophobicContact CE1-CD1 4.48Å; F264-F325 AromaticContact CG-CD1 3.97Å; F264-F325 HydrophobicContact CG-CD1 3.97Å; F264-F325 HydrophobicContact CG-CE1 4.26Å; F264-A326 PolarHBondContact O-N 3.3Å; F264-V327 HydrophobicContact CD1-CG1 4.36Å; F264-V327 HydrophobicContact CE1-CG1 4.44Å; F264-Y335 HydrophobicContact CD1-CE1 4.11Å; F264-Y335 AromaticContact CE1-CE1 3.63Å; F264-Y335 HydrophobicContact CE1-CE1 3.63Å; F264-Y335 AromaticContact CE1-CZ 3.78Å; F264-Y335 WeakPolarHBondContact CE1-OH 3.48Å; F264-Y335 HydrophobicContact CZ-CE1 4.38Å |
| 265 | V | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.8 | -174.7 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | Y133 M134 D136 M141 V263 A326 L350 I357 | Y133-V265 HydrophobicContact CE1-CG2 4.05Å; Y133-V265 HydrophobicContact CE2-CG2 3.91Å; M134-V265 PolarHBondContact O-N 2.86Å; D136-V265 VanDerWaalsContact CB-O 3.27Å; D136-V265 WeakPolarHBondContact CB-O 3.39Å; D136-V265 PolarHBondContact N-O 3.47Å; M141-V265 HydrophobicContact CE-CG1 4.09Å; V263-V265 HydrophobicContact CG1-CG2 3.86Å; V265-A326 WeakPolarHBondContact CA-O 3.29Å; V265-A326 HydrophobicContact CG2-CB 4.27Å; V265-L350 HydrophobicContact CG1-CD2 3.52Å; V265-I357 HydrophobicContact CG2-CD1 4.05Å |
| 266 | S | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 154.4 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | D136 G268 A326 V327 | D136-S266 PolarHBondContact OD2-OG 3.21Å; S266-G268 PolarHBondContact OG-N 3.18Å; S266-G268 PolarHBondContact OG-O 3.25Å; S266-A326 PolarHBondContact N-O 3.39Å; S266-V327 WeakPolarHBondContact O-CA 3.39Å |
| 267 | D | 95.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 25% | 0.251 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -102.7 | -4.3 | 168.2 | 73.8 | -31.4 | 0 | 0 | 0 | 113.8 | S140 M141 T328 Q331 | S140-D267 WeakPolarHBondContact CB-OD2 3.25Å; S140-D267 PolarHBondContact OG-OD1 3.46Å; S140-D267 PolarHBondContact OG-OD2 2.04Å; S140-D267 VanDerWaalsContact OG-OD2 3.1Å; M141-D267 HydrophobicContact SD-CB 4.02Å; D267-T328 HydrophobicContact CB-CG2 3.46Å; D267-T328 VanDerWaalsContact CB-CG2 3.46Å; D267-Q331 VanDerWaalsContact O-CG 3.28Å; D267-Q331 WeakPolarHBondContact O-CG 3.13Å; D267-Q331 PolarHBondContact O-NE2 3.34Å |
| 268 | G | 94.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -102.6 | 171.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S266 Y335 | S266-G268 PolarHBondContact OG-N 3.18Å; S266-G268 PolarHBondContact OG-O 3.25Å; G268-Y335 WeakPolarHBondContact O-CE2 3.13Å; G268-Y335 PolarHBondContact O-OH 2.98Å; G268-Y335 VanDerWaalsContact O-OH 3.06Å |
| 269 | D | 95.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 33 Ų | 33 | 16% | 0.16 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 166.9 | 169.2 | -153.5 | -5.4 | 0 | 0 | 0 | 110.4 | V235 E236 N334 | V235-D269 HydrophobicContact CG1-CB 4.33Å; V235-D269 WeakPolarHBondContact CG1-O 3.34Å; V235-D269 HydrophobicContact CG2-CB 4.45Å; E236-D269 PolarHBondContact N-O 2.84Å; D269-N334 PolarHBondContact OD2-ND2 3.21Å |
| 270 | S | 96.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.8 | 179.1 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | E236 Y335 | E236-S270 CarbonylContact O-C 3.57Å; E236-S270 WeakPolarHBondContact O-CA 3.2Å; S270-Y335 PolarHBondContact N-OH 3.22Å; S270-Y335 PolarHBondContact OG-OH 3.26Å |
| 271 | H | 96.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | trans | -66.9 | 145.3 | 170.8 | -87.9 | -50.2 | 0 | 0 | 0 | 111.7 | E175 Y181 D233 V235 E236 D275 Y306 | E175-H271 IonicContact OE2-CD2 3.56Å; E175-H271 PolarHBondContact OE2-CD2 3.28Å; Y181-H271 AromaticContact CD1-NE2 4Å; Y181-H271 AromaticContact CE1-NE2 3.61Å; D233-H271 IonicContact OD2-NE2 3.45Å; D233-H271 PolarHBondContact OD2-NE2 2.81Å; D233-H271 VanDerWaalsContact OD2-NE2 3.16Å; V235-H271 HydrophobicContact CG1-CB 4.17Å; V235-H271 VanDerWaalsContact CG1-N 3.32Å; E236-H271 PolarHBondContact O-N 3.04Å; H271-D275 HydrophobicContact CB-CB 4.3Å; H271-D275 IonicContact CE1-OD2 3.84Å; H271-D275 IonicContact CG-OD2 2.78Å; H271-D275 VanDerWaalsContact ND1-CB 3.32Å; H271-D275 WeakPolarHBondContact ND1-CB 3.45Å; H271-D275 VanDerWaalsContact ND1-CG 3.35Å; H271-D275 IonicContact ND1-OD2 3.6Å; H271-D275 PolarHBondContact ND1-OD2 3.03Å; H271-Y306 HydrophobicContact CB-CD1 3.69Å; H271-Y306 HydrophobicContact CB-CD2 3.79Å; H271-Y306 HydrophobicContact CB-CE1 3.47Å; H271-Y306 VanDerWaalsContact CB-CE1 3.47Å; H271-Y306 HydrophobicContact CB-CE2 3.61Å; H271-Y306 HydrophobicContact CB-CG 3.85Å; H271-Y306 VanDerWaalsContact CB-CZ 3.46Å; H271-Y306 AromaticContact CD2-CZ 3.88Å; H271-Y306 AromaticContact CG-CE2 3.97Å; H271-Y306 AromaticContact CG-CZ 3.82Å | ||
| 272 | F | 95.3 | Very high | 95 | Very high | 89 Ų | 89 | 39.2 Ų | 39.2 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | trans | -145.5 | 148.6 | -179.9 | 61.1 | -92.1 | 0 | 0 | 0 | 113.4 | F239 M274 D275 | F239-F272 HydrophobicContact CD2-CB 3.7Å; F239-F272 HydrophobicContact CE2-CB 3.93Å; F239-F272 HydrophobicContact CE2-CD1 4.47Å; F272-M274 PolarHBondContact O-N 2.83Å; F272-D275 PolarHBondContact N-OD2 2.84Å; F272-D275 VanDerWaalsContact N-OD2 3.15Å; F272-D275 PolarHBondContact O-N 2.87Å | ||
| 273 | G | 94.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 43 Ų | 43 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | 49 | -120.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D275 Y306 P307 | G273-D275 VanDerWaalsContact C-N 3.27Å; G273-D275 PolarHBondContact O-N 3.25Å; G273-Y306 VanDerWaalsContact CA-O 3.32Å; G273-Y306 WeakPolarHBondContact CA-O 3.44Å; G273-Y306 PolarHBondContact N-O 3.02Å; G273-P307 PolarHBondContact N-O 3.18Å; G273-P307 VanDerWaalsContact N-O 3.1Å |
| 274 | M | 94.9 | Very high | 94.7 | Very high | 135 Ų | 135 | 46.8 Ų | 46.8 | 67% | 0.665 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -77.8 | 4.4 | -168.6 | -67.8 | -176.1 | 169.4 | 0 | 0 | 115.5 | F272 S276 K277 | F272-M274 PolarHBondContact O-N 2.83Å; M274-S276 PolarHBondContact O-N 3.39Å; M274-S276 VanDerWaalsContact O-N 3.17Å; M274-K277 WeakPolarHBondContact O-CB 3.5Å; M274-K277 PolarHBondContact O-N 2.84Å |
| 275 | D | 95.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 47 Ų | 47 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -56 | -33.4 | 175.8 | -72.7 | -18.3 | 0 | 0 | 0 | 112 | Y181 H271 F272 G273 K277 M278 Y306 | Y181-D275 PolarHBondContact OH-O 3.31Å; H271-D275 HydrophobicContact CB-CB 4.3Å; H271-D275 IonicContact CE1-OD2 3.84Å; H271-D275 IonicContact CG-OD2 2.78Å; H271-D275 VanDerWaalsContact ND1-CB 3.32Å; H271-D275 WeakPolarHBondContact ND1-CB 3.45Å; H271-D275 VanDerWaalsContact ND1-CG 3.35Å; H271-D275 IonicContact ND1-OD2 3.6Å; H271-D275 PolarHBondContact ND1-OD2 3.03Å; F272-D275 PolarHBondContact N-OD2 2.84Å; F272-D275 VanDerWaalsContact N-OD2 3.15Å; F272-D275 PolarHBondContact O-N 2.87Å; G273-D275 VanDerWaalsContact C-N 3.27Å; G273-D275 PolarHBondContact O-N 3.25Å; D275-K277 PolarHBondContact O-N 2.91Å; D275-K277 VanDerWaalsContact O-N 3.12Å; D275-M278 PolarHBondContact O-N 2.9Å; D275-Y306 HydrophobicContact CB-CD2 4.11Å; D275-Y306 HydrophobicContact CB-CE2 4.05Å |
| 276 | S | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63.1 | -14.7 | 176.1 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | Y181 M274 M278 A279 G280 I281 E305 | Y181-S276 WeakPolarHBondContact OH-CA 3.37Å; M274-S276 PolarHBondContact O-N 3.39Å; M274-S276 VanDerWaalsContact O-N 3.17Å; S276-M278 PolarHBondContact O-N 3.37Å; S276-A279 CarbonylContact O-C 3.42Å; S276-A279 WeakPolarHBondContact O-CA 3.21Å; S276-A279 WeakPolarHBondContact O-CB 3.3Å; S276-A279 PolarHBondContact O-N 2.91Å; S276-G280 PolarHBondContact O-N 3.06Å; S276-I281 CarbonylContact C-O 3.58Å; S276-I281 VanDerWaalsContact C-O 3.3Å; S276-I281 WeakPolarHBondContact O-CB 3.49Å; S276-I281 PolarHBondContact O-N 2.82Å; S276-I281 VanDerWaalsContact O-N 3.09Å; S276-I281 PolarHBondContact OG-O 2.99Å; S276-E305 VanDerWaalsContact OG-CA 3.27Å; S276-E305 WeakPolarHBondContact OG-CA 3.34Å; S276-E305 WeakPolarHBondContact OG-CB 3.47Å; S276-E305 VanDerWaalsContact OG-CG 3.24Å; S276-E305 WeakPolarHBondContact OG-CG 3.08Å |
| 277 | K | 93.9 | Very high | 94.6 | Very high | 138 Ų | 138 | 50.4 Ų | 50.4 | 60% | 0.6 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.9 | -30.7 | 176.1 | -174.4 | 175.9 | -178.5 | 176.8 | 0 | 111.9 | M274 D275 A279 G280 I281 V282 | M274-K277 WeakPolarHBondContact O-CB 3.5Å; M274-K277 PolarHBondContact O-N 2.84Å; D275-K277 PolarHBondContact O-N 2.91Å; D275-K277 VanDerWaalsContact O-N 3.12Å; K277-A279 PolarHBondContact O-N 3.3Å; K277-G280 PolarHBondContact O-N 2.88Å; K277-I281 WeakPolarHBondContact CA-O 3.37Å; K277-I281 PolarHBondContact N-O 3.42Å; K277-V282 HydrophobicContact CG-CG1 4.24Å |
| 278 | M | 91.1 | Very high | 94.6 | Very high | 132 Ų | 132 | 53.4 Ų | 53.4 | 65% | 0.65 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -65 | -28.3 | 174.7 | -64.6 | -170.7 | -68.8 | 0 | 0 | 112.6 | P180 D275 S276 G280 | P180-M278 HydrophobicContact CG-CB 4.43Å; D275-M278 PolarHBondContact O-N 2.9Å; S276-M278 PolarHBondContact O-N 3.37Å; M278-G280 VanDerWaalsContact C-N 3.31Å |
| 279 | A | 90.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 21% | 0.207 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -87.3 | 5.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V178 L179 Y181 S276 K277 I281 | V178-A279 HydrophobicContact CG2-CB 3.77Å; L179-A279 VanDerWaalsContact O-CA 3.26Å; L179-A279 WeakPolarHBondContact O-CA 3.32Å; L179-A279 WeakPolarHBondContact O-CB 2.86Å; Y181-A279 HydrophobicContact CD2-CB 4.25Å; Y181-A279 HydrophobicContact CE2-CB 3.42Å; Y181-A279 VanDerWaalsContact CE2-CB 3.42Å; S276-A279 CarbonylContact O-C 3.42Å; S276-A279 WeakPolarHBondContact O-CA 3.21Å; S276-A279 WeakPolarHBondContact O-CB 3.3Å; S276-A279 PolarHBondContact O-N 2.91Å; K277-A279 PolarHBondContact O-N 3.3Å; A279-I281 VanDerWaalsContact C-N 3.27Å; A279-I281 HydrophobicContact CB-CD1 4.33Å; A279-I281 HydrophobicContact CB-CG1 4.37Å; A279-I281 PolarHBondContact O-N 3.02Å |
| 280 | G | 92 | Very high | 94.8 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 15 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S276 K277 M278 | S276-G280 PolarHBondContact O-N 3.06Å; K277-G280 PolarHBondContact O-N 2.88Å; M278-G280 VanDerWaalsContact C-N 3.31Å |
| 281 | I | 94 | Very high | 94.7 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | trans | -95.6 | 116.9 | 177.8 | -64.9 | 176.4 | 0 | 0 | 0 | 108.6 | K176 V178 S276 K277 A279 Q303 Q304 E305 | K176-I281 HydrophobicContact CD-CD1 4Å; V178-I281 HydrophobicContact CG2-CD1 4.12Å; S276-I281 CarbonylContact C-O 3.58Å; S276-I281 VanDerWaalsContact C-O 3.3Å; S276-I281 WeakPolarHBondContact O-CB 3.49Å; S276-I281 PolarHBondContact O-N 2.82Å; S276-I281 VanDerWaalsContact O-N 3.09Å; S276-I281 PolarHBondContact OG-O 2.99Å; K277-I281 WeakPolarHBondContact CA-O 3.37Å; K277-I281 PolarHBondContact N-O 3.42Å; A279-I281 VanDerWaalsContact C-N 3.27Å; A279-I281 HydrophobicContact CB-CD1 4.33Å; A279-I281 HydrophobicContact CB-CG1 4.37Å; A279-I281 PolarHBondContact O-N 3.02Å; I281-Q303 VanDerWaalsContact CG2-C 3.48Å; I281-Q303 WeakPolarHBondContact CG2-O 3.38Å; I281-Q304 WeakPolarHBondContact CG2-O 3.34Å; I281-E305 HydrophobicContact CG2-CG 4.22Å | ||
| 282 | V | 93.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | trans | -135.4 | 11.2 | -170.7 | -62.7 | 0 | 0 | 0 | 0 | 113.6 | K277 P284 E305 | K277-V282 HydrophobicContact CG-CG1 4.24Å; V282-P284 WeakPolarHBondContact O-CD 3.33Å; V282-E305 WeakPolarHBondContact CA-OE1 3.22Å | ||
| 283 | I | 94.3 | Very high | 94.5 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 42% | 0.415 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -94.5 | 113.8 | 175.3 | -50.3 | 177.7 | 0 | 0 | 0 | 107.1 | Q303 Q304 E305 | I283-Q303 VanDerWaalsContact CB-O 3.23Å; I283-Q303 WeakPolarHBondContact CB-O 3.03Å; I283-Q303 HydrophobicContact CD1-CB 4.04Å; I283-Q304 CarbonylContact O-C 3.56Å; I283-Q304 WeakPolarHBondContact O-CA 3.41Å; I283-E305 WeakPolarHBondContact O-CG 3.21Å; I283-E305 PolarHBondContact O-N 3.42Å |
| 284 | P | 95.2 | Very high | 94.4 | Very high | 79 Ų | 79 | 64.6 Ų | 64.6 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | trans | -54.5 | 148.1 | -178.7 | -27.6 | 36 | 0 | 0 | 0 | 112.4 | V282 D286 | V282-P284 WeakPolarHBondContact O-CD 3.33Å; P284-D286 PolarHBondContact O-N 2.92Å | ||
| 285 | N | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | trans | -57.5 | 135.6 | 171.2 | -164.7 | -72.8 | 0 | 0 | 0 | 109.8 | G287 E305 P307 Q311 | N285-G287 PolarHBondContact OD1-N 2.92Å; N285-E305 PolarHBondContact ND2-O 2.95Å; N285-P307 HydrophobicContact CB-CB 4.27Å; N285-Q311 PolarHBondContact O-NE2 3.13Å | ||
| 286 | D | 95.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | trans | -94.3 | -4.1 | -176.5 | 62.1 | 7.3 | 0 | 0 | 0 | 113.9 | P284 Q288 H290 Q304 | P284-D286 PolarHBondContact O-N 2.92Å; D286-Q288 VanDerWaalsContact C-N 3.28Å; D286-Q288 HydrophobicContact CB-CG 4.31Å; D286-Q288 PolarHBondContact O-N 3.43Å; D286-Q288 WeakPolarHBondContact OD1-CB 3.21Å; D286-Q288 PolarHBondContact OD1-N 3.04Å; D286-H290 VanDerWaalsContact CG-NE2 3.3Å; D286-H290 IonicContact OD1-CD2 2.76Å; D286-H290 IonicContact OD1-NE2 2.81Å; D286-H290 PolarHBondContact OD1-NE2 2.95Å; D286-H290 IonicContact OD2-CE1 3.41Å; D286-H290 PolarHBondContact OD2-CE1 3.47Å; D286-H290 IonicContact OD2-NE2 3.6Å; D286-H290 PolarHBondContact OD2-NE2 3.24Å; D286-Q304 PolarHBondContact OD1-NE2 3.32Å; D286-Q304 PolarHBondContact OD2-NE2 3.37Å | ||
| 287 | G | 96.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 65 | 28.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V247 N285 | V247-G287 WeakPolarHBondContact CG1-O 3.41Å; N285-G287 PolarHBondContact OD1-N 2.92Å |
| 288 | Q | 96.4 | Very high | 94.5 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | trans | -113.9 | 163.3 | 179.5 | -59 | -64.4 | -31.9 | 0 | 0 | 112.5 | Q244 V247 D286 H290 | Q244-Q288 PolarHBondContact NE2-O 3.41Å; V247-Q288 VanDerWaalsContact CG2-C 3.46Å; V247-Q288 WeakPolarHBondContact CG2-O 3.44Å; D286-Q288 VanDerWaalsContact C-N 3.28Å; D286-Q288 HydrophobicContact CB-CG 4.31Å; D286-Q288 PolarHBondContact O-N 3.43Å; D286-Q288 WeakPolarHBondContact OD1-CB 3.21Å; D286-Q288 PolarHBondContact OD1-N 3.04Å; Q288-H290 PolarHBondContact O-CD2 2.91Å; Q288-H290 VanDerWaalsContact O-CD2 3.25Å | ||
| 289 | C | 97 | Very high | 94.5 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | trans | -80 | 124.9 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 112 | V247 C248 | V247-C289 HydrophobicContact CG2-CB 4.08Å; C248-C289 WeakPolarHBondContact CA-SG 3.32Å; C248-C289 HydrophobicContact CB-CB 3.99Å; C248-C289 WeakPolarHBondContact CB-SG 3.44Å; C248-C289 WeakPolarHBondContact SG-CA 3.29Å; C248-C289 WeakPolarHBondContact SG-CB 3.49Å; C248-C289 CovalentContact SG-SG 2.03Å; C248-C289 PolarHBondContact SG-SG 2.93Å | ||
| 290 | H | 96.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 17% | 0.167 | 30% | 0.301 | C | S | . | . | trans | -132.1 | 31.7 | -178.7 | -62 | -72.5 | 0 | 0 | 0 | 113.6 | D286 Q288 Y297 S298 M299 | D286-H290 VanDerWaalsContact CG-NE2 3.3Å; D286-H290 IonicContact OD1-CD2 2.76Å; D286-H290 IonicContact OD1-NE2 2.81Å; D286-H290 PolarHBondContact OD1-NE2 2.95Å; D286-H290 IonicContact OD2-CE1 3.41Å; D286-H290 PolarHBondContact OD2-CE1 3.47Å; D286-H290 IonicContact OD2-NE2 3.6Å; D286-H290 PolarHBondContact OD2-NE2 3.24Å; Q288-H290 PolarHBondContact O-CD2 2.91Å; Q288-H290 VanDerWaalsContact O-CD2 3.25Å; H290-Y297 HydrophobicContact CB-CD2 3.96Å; H290-Y297 HydrophobicContact CB-CE2 3.81Å; H290-S298 PolarHBondContact O-N 2.96Å; H290-S298 PolarHBondContact O-OG 2.92Å; H290-M299 HydrophobicContact CB-CB 4.4Å; H290-M299 HydrophobicContact CB-CG 3.75Å | ||
| 291 | L | 95.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 124.5 | 170.3 | -68.2 | -178.8 | 0 | 0 | 0 | 110.8 | Y206 H208 C248 R251 E296 | Y206-L291 HydrophobicContact CD1-CD2 3.84Å; Y206-L291 HydrophobicContact CE1-CD1 4.35Å; Y206-L291 HydrophobicContact CE1-CD2 3.74Å; H208-L291 HydrophobicContact CB-CD1 3.92Å; C248-L291 HydrophobicContact CB-CD1 3.89Å; C248-L291 HydrophobicContact CB-CG 4.46Å; R251-L291 HydrophobicContact CB-CD1 4.14Å; R251-L291 HydrophobicContact CG-CD1 4.49Å; L291-E296 WeakPolarHBondContact CA-O 3.25Å |
| 292 | D | 93.6 | Very high | 92.1 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | trans | -78.6 | -171.7 | 179.8 | 73.5 | 4.7 | 0 | 0 | 0 | 113.1 | R251 N294 N295 E296 | R251-D292 PolarHBondContact NH2-O 2.65Å; D292-N294 PolarHBondContact O-N 2.53Å; D292-N294 VanDerWaalsContact OD1-CA 3.28Å; D292-N294 WeakPolarHBondContact OD1-CA 3.2Å; D292-N294 WeakPolarHBondContact OD1-CB 3.44Å; D292-N294 PolarHBondContact OD1-N 3.4Å; D292-N295 PolarHBondContact O-N 2.78Å; D292-N295 VanDerWaalsContact O-N 3.14Å; D292-N295 PolarHBondContact OD1-N 2.87Å; D292-N295 VanDerWaalsContact OD1-N 3.13Å; D292-E296 PolarHBondContact N-O 3.26Å; D292-E296 PolarHBondContact OD1-N 3.19Å | ||
| 293 | A | 93.2 | Very high | 91.1 | Very high | 94 Ų | 94 | 58.2 Ų | 58.2 | 78% | 0.777 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 294 | N | 92.2 | Very high | 91 | Very high | 127 Ų | 127 | 55 Ų | 55 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 8.3 | 177.2 | -57.3 | -42.2 | 0 | 0 | 0 | 112.5 | D292 E296 | D292-N294 PolarHBondContact O-N 2.53Å; D292-N294 VanDerWaalsContact OD1-CA 3.28Å; D292-N294 WeakPolarHBondContact OD1-CA 3.2Å; D292-N294 WeakPolarHBondContact OD1-CB 3.44Å; D292-N294 PolarHBondContact OD1-N 3.4Å; N294-E296 PolarHBondContact O-N 2.96Å |
| 295 | N | 95.5 | Very high | 91 | Very high | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 61.4 | 27.8 | -174.6 | -62.8 | -37.2 | 0 | 0 | 0 | 113.8 | H208 R251 D292 | H208-N295 HydrophobicContact CB-CB 4.04Å; H208-N295 PolarHBondContact N-O 3.07Å; H208-N295 WeakPolarHBondContact O-CB 3.33Å; R251-N295 PolarHBondContact NE-OD1 3.46Å; R251-N295 PolarHBondContact NH2-OD1 2.86Å; D292-N295 PolarHBondContact O-N 2.78Å; D292-N295 VanDerWaalsContact O-N 3.14Å; D292-N295 PolarHBondContact OD1-N 2.87Å; D292-N295 VanDerWaalsContact OD1-N 3.13Å |
| 296 | E | 95.6 | Very high | 91.1 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -105.7 | 145 | 176.4 | -172 | 163 | -170.2 | 0 | 0 | 110.8 | F204 K207 L291 D292 N294 S298 | F204-E296 VanDerWaalsContact CB-OE1 3.29Å; F204-E296 WeakPolarHBondContact CB-OE1 3.36Å; K207-E296 WeakPolarHBondContact CE-OE1 3.17Å; K207-E296 WeakPolarHBondContact CE-OE2 3.45Å; K207-E296 HydrophobicContact CG-CB 4.21Å; K207-E296 HydrophobicContact CG-CG 3.93Å; K207-E296 IonicContact NZ-OE1 3.95Å; K207-E296 IonicContact NZ-OE2 2.73Å; L291-E296 WeakPolarHBondContact CA-O 3.25Å; D292-E296 PolarHBondContact N-O 3.26Å; D292-E296 PolarHBondContact OD1-N 3.19Å; N294-E296 PolarHBondContact O-N 2.96Å; E296-S298 PolarHBondContact O-N 3.38Å |
| 297 | Y | 96.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 101.4 | 178.5 | 176.4 | -135.5 | 0 | 0 | 0 | 111 | Y206 D240 Q244 H290 M299 S300 Q304 | Y206-Y297 PolarHBondContact O-N 2.92Å; D240-Y297 HydrophobicContact CB-CD1 4.33Å; D240-Y297 HydrophobicContact CB-CE1 4.13Å; D240-Y297 WeakPolarHBondContact OD2-CE1 3.44Å; Q244-Y297 VanDerWaalsContact CD-CD2 3.47Å; Q244-Y297 HydrophobicContact CG-CD1 4.5Å; Q244-Y297 HydrophobicContact CG-CD2 3.57Å; Q244-Y297 HydrophobicContact CG-CE2 3.89Å; Q244-Y297 HydrophobicContact CG-CG 3.92Å; H290-Y297 HydrophobicContact CB-CD2 3.96Å; H290-Y297 HydrophobicContact CB-CE2 3.81Å; Y297-M299 VanDerWaalsContact C-N 3.35Å; Y297-M299 HydrophobicContact CD2-CB 4.45Å; Y297-M299 HydrophobicContact CE2-CB 3.63Å; Y297-M299 HydrophobicContact CE2-CG 4.41Å; Y297-M299 PolarHBondContact O-N 2.89Å; Y297-S300 VanDerWaalsContact O-CB 3.3Å; Y297-S300 WeakPolarHBondContact O-CB 3.49Å; Y297-S300 PolarHBondContact O-N 3.16Å; Y297-Q304 PolarHBondContact OH-OE1 3.04Å |
| 298 | S | 92.9 | Very high | 91.2 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -72.5 | -24.5 | -170.8 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | H290 E296 S300 T301 K302 | H290-S298 PolarHBondContact O-N 2.96Å; H290-S298 PolarHBondContact O-OG 2.92Å; E296-S298 PolarHBondContact O-N 3.38Å; S298-S300 VanDerWaalsContact C-N 3.33Å; S298-T301 PolarHBondContact O-OG1 2.77Å; S298-K302 WeakPolarHBondContact O-CG 3.32Å |
| 299 | M | 91.3 | Very high | 91.1 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -83.9 | -8 | 179.7 | -62.8 | -59.9 | -179.1 | 0 | 0 | 113.7 | H290 Y297 T301 K302 Q303 Q304 | H290-M299 HydrophobicContact CB-CB 4.4Å; H290-M299 HydrophobicContact CB-CG 3.75Å; Y297-M299 VanDerWaalsContact C-N 3.35Å; Y297-M299 HydrophobicContact CD2-CB 4.45Å; Y297-M299 HydrophobicContact CE2-CB 3.63Å; Y297-M299 HydrophobicContact CE2-CG 4.41Å; Y297-M299 PolarHBondContact O-N 2.89Å; M299-T301 PolarHBondContact O-N 2.83Å; M299-K302 PolarHBondContact O-N 3.03Å; M299-K302 HydrophobicContact SD-CB 3.79Å; M299-K302 HydrophobicContact SD-CD 4.39Å; M299-Q303 PolarHBondContact O-N 3.4Å; M299-Q304 HydrophobicContact CB-CB 4.09Å; M299-Q304 HydrophobicContact CB-CG 4.08Å; M299-Q304 HydrophobicContact CG-CG 4.46Å; M299-Q304 PolarHBondContact O-N 3.41Å |
| 300 | S | 84.6 | Confident | 91 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -55.3 | -38.6 | 170.1 | -173 | 0 | 0 | 0 | 0 | 112.1 | K176 P177 Y297 S298 | K176-S300 WeakPolarHBondContact CA-OG 3.25Å; P177-S300 WeakPolarHBondContact CD-OG 3.34Å; Y297-S300 VanDerWaalsContact O-CB 3.3Å; Y297-S300 WeakPolarHBondContact O-CB 3.49Å; Y297-S300 PolarHBondContact O-N 3.16Å; S298-S300 VanDerWaalsContact C-N 3.33Å |
| 301 | T | 74.4 | Confident | 91 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -15.9 | 178.6 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | P177 S298 M299 | P177-T301 HydrophobicContact CG-CG2 3.56Å; S298-T301 PolarHBondContact O-OG1 2.77Å; M299-T301 PolarHBondContact O-N 2.83Å |
| 302 | K | 67 | Low | 91 | Very high | 128 Ų | 128 | 47.5 Ų | 47.5 | 56% | 0.557 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 25.6 | -170.7 | -61.7 | 178.1 | -177.6 | 173.2 | 0 | 114.3 | S298 M299 | S298-K302 WeakPolarHBondContact O-CG 3.32Å; M299-K302 PolarHBondContact O-N 3.03Å; M299-K302 HydrophobicContact SD-CB 3.79Å; M299-K302 HydrophobicContact SD-CD 4.39Å |
| 303 | Q | 72.8 | Confident | 91 | Very high | 113 Ų | 113 | 47 Ų | 47 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 25.6 | 161.5 | -46.8 | 166.1 | 6.3 | 0 | 0 | 117.6 | I281 I283 M299 | I281-Q303 VanDerWaalsContact CG2-C 3.48Å; I281-Q303 WeakPolarHBondContact CG2-O 3.38Å; I283-Q303 VanDerWaalsContact CB-O 3.23Å; I283-Q303 WeakPolarHBondContact CB-O 3.03Å; I283-Q303 HydrophobicContact CD1-CB 4.04Å; M299-Q303 PolarHBondContact O-N 3.4Å |
| 304 | Q | 92.4 | Very high | 90.9 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -89.1 | 135 | 165.3 | -77.3 | -173.9 | -12.6 | 0 | 0 | 112.4 | K176 I281 I283 D286 Y297 M299 | K176-Q304 PolarHBondContact NZ-O 3.28Å; I281-Q304 WeakPolarHBondContact CG2-O 3.34Å; I283-Q304 CarbonylContact O-C 3.56Å; I283-Q304 WeakPolarHBondContact O-CA 3.41Å; D286-Q304 PolarHBondContact OD1-NE2 3.32Å; D286-Q304 PolarHBondContact OD2-NE2 3.37Å; Y297-Q304 PolarHBondContact OH-OE1 3.04Å; M299-Q304 HydrophobicContact CB-CB 4.09Å; M299-Q304 HydrophobicContact CB-CG 4.08Å; M299-Q304 HydrophobicContact CG-CG 4.46Å; M299-Q304 PolarHBondContact O-N 3.41Å |
| 305 | E | 95.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 162.4 | 170.8 | -62.9 | -173.1 | 149.8 | 0 | 0 | 110.8 | S276 I281 V282 I283 N285 | S276-E305 VanDerWaalsContact OG-CA 3.27Å; S276-E305 WeakPolarHBondContact OG-CA 3.34Å; S276-E305 WeakPolarHBondContact OG-CB 3.47Å; S276-E305 VanDerWaalsContact OG-CG 3.24Å; S276-E305 WeakPolarHBondContact OG-CG 3.08Å; I281-E305 HydrophobicContact CG2-CG 4.22Å; V282-E305 WeakPolarHBondContact CA-OE1 3.22Å; I283-E305 WeakPolarHBondContact O-CG 3.21Å; I283-E305 PolarHBondContact O-N 3.42Å; N285-E305 PolarHBondContact ND2-O 2.95Å |
| 306 | Y | 97.4 | Very high | 91 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -63 | 150 | 166.6 | -53.9 | -87.7 | 0 | 0 | 0 | 108.7 | E175 K176 Y181 A237 H271 G273 D275 | E175-Y306 WeakPolarHBondContact OE1-CE1 3.02Å; E175-Y306 PolarHBondContact OE1-OH 2.83Å; K176-Y306 HydrophobicContact CD-CE1 3.9Å; K176-Y306 HydrophobicContact CD-CE2 4.24Å; K176-Y306 VanDerWaalsContact CE-CD1 3.44Å; K176-Y306 HydrophobicContact CG-CE1 3.97Å; Y181-Y306 WeakPolarHBondContact CE2-OH 3.26Å; A237-Y306 HydrophobicContact CB-CD1 4.46Å; A237-Y306 HydrophobicContact CB-CE1 3.88Å; H271-Y306 HydrophobicContact CB-CD1 3.69Å; H271-Y306 HydrophobicContact CB-CD2 3.79Å; H271-Y306 HydrophobicContact CB-CE1 3.47Å; H271-Y306 VanDerWaalsContact CB-CE1 3.47Å; H271-Y306 HydrophobicContact CB-CE2 3.61Å; H271-Y306 HydrophobicContact CB-CG 3.85Å; H271-Y306 VanDerWaalsContact CB-CZ 3.46Å; H271-Y306 AromaticContact CD2-CZ 3.88Å; H271-Y306 AromaticContact CG-CE2 3.97Å; H271-Y306 AromaticContact CG-CZ 3.82Å; G273-Y306 VanDerWaalsContact CA-O 3.32Å; G273-Y306 WeakPolarHBondContact CA-O 3.44Å; G273-Y306 PolarHBondContact N-O 3.02Å; D275-Y306 HydrophobicContact CB-CD2 4.11Å; D275-Y306 HydrophobicContact CB-CE2 4.05Å |
| 307 | P | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 145.4 | 173.6 | 30.1 | -37 | 0 | 0 | 0 | 110.1 | F239 D240 M243 G273 N285 | F239-P307 HydrophobicContact CB-CG 3.85Å; F239-P307 WeakPolarHBondContact O-CG 3.45Å; D240-P307 WeakPolarHBondContact OD1-CD 3.21Å; M243-P307 HydrophobicContact CB-CB 4.34Å; M243-P307 HydrophobicContact CB-CG 3.98Å; M243-P307 HydrophobicContact CE-CB 3.58Å; M243-P307 HydrophobicContact CE-CG 4.39Å; M243-P307 HydrophobicContact CG-CB 4.44Å; G273-P307 PolarHBondContact N-O 3.18Å; G273-P307 VanDerWaalsContact N-O 3.1Å; N285-P307 HydrophobicContact CB-CB 4.27Å |
| 308 | T | 96.8 | Very high | 90.4 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -73.1 | 157.6 | 167.3 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | G310 Q311 L312 | T308-G310 PolarHBondContact O-N 3.05Å; T308-Q311 PolarHBondContact O-N 2.9Å; T308-Q311 VanDerWaalsContact O-N 3.15Å; T308-Q311 VanDerWaalsContact OG1-CG 3.3Å; T308-Q311 WeakPolarHBondContact OG1-CG 3.08Å; T308-Q311 PolarHBondContact OG1-N 2.76Å; T308-Q311 PolarHBondContact OG1-OE1 3.29Å; T308-Q311 VanDerWaalsContact OG1-OE1 3.11Å; T308-L312 PolarHBondContact O-N 2.99Å |
| 309 | L | 94.7 | Very high | 90.4 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.6 | -37 | 176.4 | -174 | 60.7 | 0 | 0 | 0 | 112 | L312 I313 Y338 F341 I342 | L309-L312 PolarHBondContact O-N 2.88Å; L309-I313 HydrophobicContact CD1-CD1 4.47Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CD1 3.42Å; L309-I313 WeakPolarHBondContact O-CG1 3.45Å; L309-I313 PolarHBondContact O-N 3Å; L309-Y338 HydrophobicContact CD2-CD1 4.17Å; L309-F341 HydrophobicContact CD2-CB 4.18Å; L309-F341 HydrophobicContact CD2-CD2 3.73Å; L309-F341 HydrophobicContact CD2-CE2 4.48Å; L309-F341 HydrophobicContact CD2-CG 4.2Å; L309-I342 HydrophobicContact CD1-CD1 4.11Å; L309-I342 HydrophobicContact CD1-CG1 4.35Å |
| 310 | G | 94.6 | Very high | 90.4 | Very high | 49 Ų | 49 | 43 Ų | 43 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | T308 L312 I313 D314 | T308-G310 PolarHBondContact O-N 3.05Å; G310-L312 VanDerWaalsContact C-N 3.33Å; G310-I313 PolarHBondContact O-N 2.97Å; G310-D314 WeakPolarHBondContact O-CB 3.45Å; G310-D314 PolarHBondContact O-N 2.87Å |
| 311 | Q | 95.9 | Very high | 90.9 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 175 | -72.5 | 171.6 | -50.5 | 0 | 0 | 111.9 | M243 N285 T308 D314 K315 | M243-Q311 HydrophobicContact CE-CB 4.01Å; N285-Q311 PolarHBondContact O-NE2 3.13Å; T308-Q311 PolarHBondContact O-N 2.9Å; T308-Q311 VanDerWaalsContact O-N 3.15Å; T308-Q311 VanDerWaalsContact OG1-CG 3.3Å; T308-Q311 WeakPolarHBondContact OG1-CG 3.08Å; T308-Q311 PolarHBondContact OG1-N 2.76Å; T308-Q311 PolarHBondContact OG1-OE1 3.29Å; T308-Q311 VanDerWaalsContact OG1-OE1 3.11Å; Q311-D314 PolarHBondContact O-N 3.5Å; Q311-K315 PolarHBondContact O-N 3.43Å |
| 312 | L | 95.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 177.3 | -170.7 | 149.5 | 0 | 0 | 0 | 110.8 | F239 I242 T308 L309 G310 K315 V316 L323 I342 | F239-L312 HydrophobicContact CB-CD1 3.85Å; F239-L312 HydrophobicContact CD1-CD1 3.93Å; F239-L312 HydrophobicContact CD2-CD1 4.2Å; F239-L312 HydrophobicContact CG-CD1 3.74Å; I242-L312 HydrophobicContact CB-CD1 4.08Å; I242-L312 HydrophobicContact CD1-CD1 4.43Å; I242-L312 HydrophobicContact CG2-CD1 3.85Å; I242-L312 HydrophobicContact CG2-CD2 4.14Å; I242-L312 HydrophobicContact CG2-CG 3.98Å; T308-L312 PolarHBondContact O-N 2.99Å; L309-L312 PolarHBondContact O-N 2.88Å; G310-L312 VanDerWaalsContact C-N 3.33Å; L312-K315 PolarHBondContact O-N 2.93Å; L312-V316 HydrophobicContact CD2-CG2 3.91Å; L312-V316 HydrophobicContact CG-CG2 4.32Å; L312-V316 VanDerWaalsContact O-CB 3.25Å; L312-V316 WeakPolarHBondContact O-CB 3.49Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.1Å; L312-L323 HydrophobicContact CD2-CD1 3.86Å; L312-I342 HydrophobicContact CD2-CD1 3.99Å |
| 313 | I | 93.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 33.4 Ų | 33.4 | 20% | 0.195 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.8 | -50.7 | 174.5 | -67.9 | 158.1 | 0 | 0 | 0 | 110.4 | L309 G310 K315 V316 V317 F341 I342 | L309-I313 HydrophobicContact CD1-CD1 4.47Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CD1 3.42Å; L309-I313 WeakPolarHBondContact O-CG1 3.45Å; L309-I313 PolarHBondContact O-N 3Å; G310-I313 PolarHBondContact O-N 2.97Å; I313-K315 PolarHBondContact O-N 2.89Å; I313-V316 PolarHBondContact O-N 3.04Å; I313-V317 HydrophobicContact CG2-CG2 4.21Å; I313-V317 WeakPolarHBondContact O-CB 3.42Å; I313-V317 VanDerWaalsContact O-CG2 3.29Å; I313-V317 WeakPolarHBondContact O-CG2 3.5Å; I313-V317 PolarHBondContact O-N 3.19Å; I313-F341 HydrophobicContact CD1-CB 3.77Å; I313-F341 WeakPolarHBondContact CD1-O 3.49Å; I313-I342 HydrophobicContact CD1-CG1 4.29Å; I313-I342 HydrophobicContact CG1-CB 4.36Å; I313-I342 HydrophobicContact CG1-CG1 3.56Å |
| 314 | D | 92.7 | Very high | 94.5 | Very high | 89 Ų | 89 | 28 Ų | 28 | 48% | 0.476 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -52.7 | -52.3 | 179.6 | -177.2 | 65.5 | 0 | 0 | 0 | 111.3 | G310 Q311 E318 | G310-D314 WeakPolarHBondContact O-CB 3.45Å; G310-D314 PolarHBondContact O-N 2.87Å; Q311-D314 PolarHBondContact O-N 3.5Å; D314-E318 WeakPolarHBondContact O-CB 3.48Å; D314-E318 PolarHBondContact O-N 3.17Å |
| 315 | K | 94.8 | Very high | 94.8 | Very high | 36 Ų | 36 | 27.4 Ų | 27.4 | 16% | 0.157 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.3 | -32.2 | -177.2 | -64.5 | -43.8 | -177.7 | -151.1 | 0 | 114.4 | M243 V247 Q311 L312 I313 E318 N319 | M243-K315 HydrophobicContact CE-CB 4.22Å; M243-K315 HydrophobicContact CE-CG 3.98Å; M243-K315 HydrophobicContact SD-CB 3.82Å; M243-K315 HydrophobicContact SD-CG 3.65Å; V247-K315 HydrophobicContact CG1-CB 3.88Å; V247-K315 HydrophobicContact CG1-CD 4.21Å; V247-K315 HydrophobicContact CG1-CG 3.82Å; Q311-K315 PolarHBondContact O-N 3.43Å; L312-K315 PolarHBondContact O-N 2.93Å; I313-K315 PolarHBondContact O-N 2.89Å; K315-E318 WeakPolarHBondContact CD-OE2 3.41Å; K315-E318 WeakPolarHBondContact CE-OE2 3.39Å; K315-E318 IonicContact NZ-OE2 3.2Å; K315-E318 PolarHBondContact NZ-OE2 2.93Å; K315-N319 VanDerWaalsContact O-CB 3.31Å; K315-N319 WeakPolarHBondContact O-CB 3.32Å; K315-N319 PolarHBondContact O-N 3.22Å; K315-N319 PolarHBondContact O-ND2 2.89Å |
| 316 | V | 93.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.8 | -42.3 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | I242 A246 L312 I313 N320 I321 L323 I342 | I242-V316 HydrophobicContact CG2-CG2 4.09Å; A246-V316 HydrophobicContact CB-CG2 4.39Å; L312-V316 HydrophobicContact CD2-CG2 3.91Å; L312-V316 HydrophobicContact CG-CG2 4.32Å; L312-V316 VanDerWaalsContact O-CB 3.25Å; L312-V316 WeakPolarHBondContact O-CB 3.49Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.1Å; I313-V316 PolarHBondContact O-N 3.04Å; V316-N320 PolarHBondContact O-N 2.04Å; V316-N320 VanDerWaalsContact O-N 3.12Å; V316-I321 HydrophobicContact CG1-CB 4.15Å; V316-I321 HydrophobicContact CG1-CG2 4.42Å; V316-I321 WeakPolarHBondContact CG1-O 3.48Å; V316-I321 PolarHBondContact O-N 3.14Å; V316-L323 HydrophobicContact CB-CD1 4.5Å; V316-L323 HydrophobicContact CG1-CD1 3.96Å; V316-L323 HydrophobicContact CG1-CG 4.04Å; V316-L323 HydrophobicContact CG2-CD1 3.88Å; V316-L323 HydrophobicContact CG2-CG 4.43Å; V316-I342 HydrophobicContact CG1-CG2 4.36Å |
| 317 | V | 90.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -47.3 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111 | I313 N319 N320 P343 L377 | I313-V317 HydrophobicContact CG2-CG2 4.21Å; I313-V317 WeakPolarHBondContact O-CB 3.42Å; I313-V317 VanDerWaalsContact O-CG2 3.29Å; I313-V317 WeakPolarHBondContact O-CG2 3.5Å; I313-V317 PolarHBondContact O-N 3.19Å; V317-N319 VanDerWaalsContact C-N 3.27Å; V317-N319 PolarHBondContact O-N 3.02Å; V317-N320 PolarHBondContact O-N 2.85Å; V317-P343 HydrophobicContact CG2-CG 4.37Å; V317-L377 HydrophobicContact CG1-CD2 4.01Å |
| 318 | E | 90.4 | Very high | 94.8 | Very high | 118 Ų | 118 | 27.3 Ų | 27.3 | 55% | 0.551 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -55.4 | -43.6 | 177.3 | -176.9 | -176.9 | -176.5 | 0 | 0 | 111.4 | D314 K315 N320 | D314-E318 WeakPolarHBondContact O-CB 3.48Å; D314-E318 PolarHBondContact O-N 3.17Å; K315-E318 WeakPolarHBondContact CD-OE2 3.41Å; K315-E318 WeakPolarHBondContact CE-OE2 3.39Å; K315-E318 IonicContact NZ-OE2 3.2Å; K315-E318 PolarHBondContact NZ-OE2 2.93Å; E318-N320 VanDerWaalsContact C-N 3.3Å; E318-N320 PolarHBondContact O-N 2.86Å |
| 319 | N | 92.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 31.9 Ų | 31.9 | 20% | 0.198 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 7.2 | -179.8 | -67.9 | -77.6 | 0 | 0 | 0 | 113.8 | A246 R260 K315 V317 I321 | A246-N319 VanDerWaalsContact O-CG 3.3Å; R260-N319 WeakPolarHBondContact CD-O 3.4Å; R260-N319 PolarHBondContact NH1-O 3.33Å; K315-N319 VanDerWaalsContact O-CB 3.31Å; K315-N319 WeakPolarHBondContact O-CB 3.32Å; K315-N319 PolarHBondContact O-N 3.22Å; K315-N319 PolarHBondContact O-ND2 2.89Å; V317-N319 VanDerWaalsContact C-N 3.27Å; V317-N319 PolarHBondContact O-N 3.02Å; N319-I321 VanDerWaalsContact C-N 3.34Å; N319-I321 HydrophobicContact CB-CD1 4Å; N319-I321 HydrophobicContact CB-CG1 4.29Å; N319-I321 PolarHBondContact O-N 3.09Å |
| 320 | N | 91.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 47 | 178.4 | -168.3 | 52.7 | 0 | 0 | 0 | 113.3 | R260 V316 V317 E318 G436 Q438 | R260-N320 WeakPolarHBondContact CB-O 3.33Å; V316-N320 PolarHBondContact O-N 2.04Å; V316-N320 VanDerWaalsContact O-N 3.12Å; V317-N320 PolarHBondContact O-N 2.85Å; E318-N320 VanDerWaalsContact C-N 3.3Å; E318-N320 PolarHBondContact O-N 2.86Å; N320-G436 PolarHBondContact ND2-O 3.39Å; N320-G436 VanDerWaalsContact OD1-CA 3.26Å; N320-G436 WeakPolarHBondContact OD1-CA 3.49Å; N320-G436 PolarHBondContact OD1-N 3.34Å; N320-Q438 WeakPolarHBondContact ND2-CG 3.35Å; N320-Q438 PolarHBondContact ND2-NE2 2.96Å |
| 321 | I | 94.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.5 | -179.9 | -68.1 | 170.1 | 0 | 0 | 0 | 109.6 | A246 W254 R260 L262 V316 N319 | A246-I321 HydrophobicContact CB-CD1 3.66Å; W254-I321 HydrophobicContact CZ2-CD1 4.23Å; R260-I321 HydrophobicContact CB-CG1 4.11Å; L262-I321 HydrophobicContact CB-CG2 3.58Å; L262-I321 HydrophobicContact CD1-CG2 4.16Å; V316-I321 HydrophobicContact CG1-CB 4.15Å; V316-I321 HydrophobicContact CG1-CG2 4.42Å; V316-I321 WeakPolarHBondContact CG1-O 3.48Å; V316-I321 PolarHBondContact O-N 3.14Å; N319-I321 VanDerWaalsContact C-N 3.34Å; N319-I321 HydrophobicContact CB-CD1 4Å; N319-I321 HydrophobicContact CB-CG1 4.29Å; N319-I321 PolarHBondContact O-N 3.09Å |
| 322 | L | 95.7 | Very high | 94.7 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.8 | 175.7 | -58 | 174.8 | 0 | 0 | 0 | 108.9 | M259 R260 L261 L262 L368 V435 | M259-L322 HydrophobicContact CE-CD1 3.28Å; M259-L322 HydrophobicContact CG-CD1 3.83Å; M259-L322 HydrophobicContact SD-CD1 4.41Å; R260-L322 PolarHBondContact O-N 3.17Å; L261-L322 HydrophobicContact CD2-CB 4.03Å; L261-L322 HydrophobicContact CD2-CD1 4.05Å; L262-L322 PolarHBondContact N-O 3.21Å; L322-L368 HydrophobicContact CB-CD1 4.31Å; L322-L368 HydrophobicContact CD1-CD1 4.11Å; L322-L368 HydrophobicContact CD1-CD2 4.39Å; L322-V435 HydrophobicContact CD2-CG1 3.7Å |
| 323 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.6 | -179.1 | -73.6 | 172.5 | 0 | 0 | 0 | 111.4 | I242 L262 L312 V316 F325 I342 A345 T346 | I242-L323 HydrophobicContact CD1-CD2 4.24Å; I242-L323 HydrophobicContact CG1-CD2 4.35Å; I242-L323 HydrophobicContact CG2-CD1 4.1Å; I242-L323 HydrophobicContact CG2-CD2 3.84Å; L262-L323 HydrophobicContact CB-CD2 3.92Å; L262-L323 HydrophobicContact CD1-CD2 4.09Å; L262-L323 HydrophobicContact CD2-CD2 3.7Å; L262-L323 HydrophobicContact CG-CD2 4.09Å; L312-L323 HydrophobicContact CD2-CD1 3.86Å; V316-L323 HydrophobicContact CB-CD1 4.5Å; V316-L323 HydrophobicContact CG1-CD1 3.96Å; V316-L323 HydrophobicContact CG1-CG 4.04Å; V316-L323 HydrophobicContact CG2-CD1 3.88Å; V316-L323 HydrophobicContact CG2-CG 4.43Å; L323-F325 HydrophobicContact CB-CE2 4.47Å; L323-F325 HydrophobicContact CD1-CZ 4.16Å; L323-I342 HydrophobicContact CD1-CD1 4.1Å; L323-I342 HydrophobicContact CD1-CG2 4.25Å; L323-A345 HydrophobicContact CB-CB 4.23Å; L323-A345 CarbonylContact O-C 3.35Å; L323-A345 VanDerWaalsContact O-CA 3.29Å; L323-A345 WeakPolarHBondContact O-CA 3.43Å; L323-T346 PolarHBondContact O-N 3.29Å |
| 324 | I | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 104.4 | 172.2 | -55.1 | 175.1 | 0 | 0 | 0 | 106.9 | L261 L262 V263 F264 A326 A364 | L261-I324 HydrophobicContact CB-CD1 4.38Å; L261-I324 HydrophobicContact CD2-CD1 4.41Å; L262-I324 PolarHBondContact O-N 3.03Å; V263-I324 HydrophobicContact CG2-CB 4.45Å; V263-I324 HydrophobicContact CG2-CD1 4.19Å; F264-I324 PolarHBondContact N-O 3.26Å; I324-A326 PolarHBondContact O-N 3.18Å; I324-A364 HydrophobicContact CD1-CB 3.87Å; I324-A364 HydrophobicContact CG1-CB 4.17Å; I324-A364 HydrophobicContact CG2-CB 3.83Å |
| 325 | F | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 100.4 | 174 | -65.7 | -63.3 | 0 | 0 | 0 | 109.6 | I242 F264 L323 V327 Y335 A339 I342 A345 T346 V347 G348 | I242-F325 HydrophobicContact CD1-CE1 3.9Å; I242-F325 HydrophobicContact CD1-CZ 4.49Å; F264-F325 HydrophobicContact CB-CD1 3.92Å; F264-F325 HydrophobicContact CB-CE1 4.35Å; F264-F325 AromaticContact CD1-CD1 3.69Å; F264-F325 HydrophobicContact CD1-CD1 3.69Å; F264-F325 HydrophobicContact CD1-CE1 4.23Å; F264-F325 HydrophobicContact CE1-CD1 4.48Å; F264-F325 AromaticContact CG-CD1 3.97Å; F264-F325 HydrophobicContact CG-CD1 3.97Å; F264-F325 HydrophobicContact CG-CE1 4.26Å; L323-F325 HydrophobicContact CB-CE2 4.47Å; L323-F325 HydrophobicContact CD1-CZ 4.16Å; F325-V327 HydrophobicContact CB-CG1 4.42Å; F325-Y335 HydrophobicContact CB-CD1 4.09Å; F325-Y335 HydrophobicContact CB-CG 4.42Å; F325-Y335 AromaticContact CD1-CD1 3.37Å; F325-Y335 HydrophobicContact CD1-CD1 3.37Å; F325-Y335 AromaticContact CD1-CE1 3.77Å; F325-Y335 HydrophobicContact CD1-CE1 3.77Å; F325-Y335 HydrophobicContact CD1-CG 4.44Å; F325-Y335 HydrophobicContact CD2-CD1 4.25Å; F325-Y335 AromaticContact CE1-CD1 3.74Å; F325-Y335 HydrophobicContact CE1-CD1 3.74Å; F325-Y335 AromaticContact CE1-CE1 3.95Å; F325-Y335 HydrophobicContact CE1-CE1 3.95Å; F325-Y335 AromaticContact CG-CD1 3.66Å; F325-Y335 HydrophobicContact CG-CD1 3.66Å; F325-Y335 HydrophobicContact CG-CE1 4.48Å; F325-Y335 HydrophobicContact CG-CG 4.37Å; F325-Y335 HydrophobicContact CZ-CD1 4.31Å; F325-A339 HydrophobicContact CD2-CB 4.29Å; F325-A339 HydrophobicContact CE2-CB 4.44Å; F325-I342 HydrophobicContact CE2-CD1 3.93Å; F325-I342 HydrophobicContact CZ-CD1 3.97Å; F325-A345 HydrophobicContact CE2-CB 4.35Å; F325-T346 PolarHBondContact N-O 3.38Å; F325-V347 HydrophobicContact CB-CB 4.49Å; F325-V347 HydrophobicContact CB-CG1 4.11Å; F325-V347 HydrophobicContact CB-CG2 4.28Å; F325-V347 HydrophobicContact CD2-CG2 4.27Å; F325-V347 CarbonylContact O-C 3.51Å; F325-V347 WeakPolarHBondContact O-CA 3.32Å; F325-G348 PolarHBondContact O-N 3.39Å |
| 326 | A | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 93.7 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | F264 V265 S266 I324 L350 I357 V360 | F264-A326 PolarHBondContact O-N 3.3Å; V265-A326 WeakPolarHBondContact CA-O 3.29Å; V265-A326 HydrophobicContact CG2-CB 4.27Å; S266-A326 PolarHBondContact N-O 3.39Å; I324-A326 PolarHBondContact O-N 3.18Å; A326-L350 HydrophobicContact CB-CD1 4.48Å; A326-I357 HydrophobicContact CB-CD1 3.68Å; A326-V360 HydrophobicContact CB-CG1 4.02Å |
| 327 | V | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 154.2 | -172.7 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | F264 S266 F325 Q331 I332 Y335 V347 G348 L350 | F264-V327 HydrophobicContact CD1-CG1 4.36Å; F264-V327 HydrophobicContact CE1-CG1 4.44Å; S266-V327 WeakPolarHBondContact O-CA 3.39Å; F325-V327 HydrophobicContact CB-CG1 4.42Å; V327-Q331 HydrophobicContact CB-CB 4.19Å; V327-Q331 HydrophobicContact CG2-CB 4.24Å; V327-I332 HydrophobicContact CG2-CD1 4.16Å; V327-Y335 HydrophobicContact CB-CD2 4.14Å; V327-Y335 HydrophobicContact CB-CE2 4.42Å; V327-Y335 HydrophobicContact CG1-CD1 4.16Å; V327-Y335 HydrophobicContact CG1-CD2 3.74Å; V327-Y335 HydrophobicContact CG1-CE1 4.22Å; V327-Y335 HydrophobicContact CG1-CE2 3.82Å; V327-Y335 HydrophobicContact CG1-CG 3.9Å; V327-Y335 HydrophobicContact CG2-CD2 3.89Å; V327-Y335 HydrophobicContact CG2-CG 4.09Å; V327-V347 HydrophobicContact CG2-CG1 4.21Å; V327-G348 PolarHBondContact N-O 3.29Å; V327-G348 VanDerWaalsContact N-O 3.12Å; V327-L350 WeakPolarHBondContact O-CB 3.41Å; V327-L350 PolarHBondContact O-N 2.98Å |
| 328 | T | 95.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 160.8 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | D267 K330 Q331 I332 | D267-T328 HydrophobicContact CB-CG2 3.46Å; D267-T328 VanDerWaalsContact CB-CG2 3.46Å; T328-K330 PolarHBondContact O-N 3.19Å; T328-Q331 PolarHBondContact O-N 3.37Å; T328-I332 PolarHBondContact O-N 3.48Å |
| 329 | E | 95.1 | Very high | 95.4 | Very high | 155 Ų | 155 | 40.6 Ų | 40.6 | 72% | 0.724 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.7 | -177.6 | -173.3 | 173.2 | -163.4 | 0 | 0 | 113.4 | Q331 I332 V349 | E329-Q331 VanDerWaalsContact C-N 3.33Å; E329-Q331 PolarHBondContact O-N 3.38Å; E329-I332 VanDerWaalsContact O-CG2 3.24Å; E329-I332 WeakPolarHBondContact O-CG2 3.23Å; E329-V349 HydrophobicContact CB-CG1 4.28Å |
| 330 | K | 94.1 | Very high | 95.4 | Very high | 183 Ų | 183 | 45 Ų | 45 | 80% | 0.796 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -37.1 | 177.7 | -66 | 178.9 | -176.7 | 171.6 | 0 | 112.6 | T328 | T328-K330 PolarHBondContact O-N 3.19Š|
| 331 | Q | 95.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -6.7 | -174 | -55.3 | -58.9 | -4.6 | 0 | 0 | 113.5 | D267 V327 T328 E329 N333 N334 Y335 | D267-Q331 VanDerWaalsContact O-CG 3.28Å; D267-Q331 WeakPolarHBondContact O-CG 3.13Å; D267-Q331 PolarHBondContact O-NE2 3.34Å; V327-Q331 HydrophobicContact CB-CB 4.19Å; V327-Q331 HydrophobicContact CG2-CB 4.24Å; T328-Q331 PolarHBondContact O-N 3.37Å; E329-Q331 VanDerWaalsContact C-N 3.33Å; E329-Q331 PolarHBondContact O-N 3.38Å; Q331-N333 PolarHBondContact O-N 3.43Å; Q331-N333 VanDerWaalsContact O-N 3.07Å; Q331-N334 PolarHBondContact O-N 3.01Å; Q331-Y335 HydrophobicContact CB-CD2 3.82Å; Q331-Y335 HydrophobicContact CB-CE2 3.86Å; Q331-Y335 WeakPolarHBondContact O-CD2 3.45Å; Q331-Y335 PolarHBondContact O-N 2.97Å |
| 332 | I | 94.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.3 | -36.9 | -170.4 | -161.1 | 69.8 | 0 | 0 | 0 | 113.5 | V327 T328 E329 K336 V347 V349 | V327-I332 HydrophobicContact CG2-CD1 4.16Å; T328-I332 PolarHBondContact O-N 3.48Å; E329-I332 VanDerWaalsContact O-CG2 3.24Å; E329-I332 WeakPolarHBondContact O-CG2 3.23Å; I332-K336 HydrophobicContact CG1-CD 4.27Å; I332-K336 VanDerWaalsContact O-CB 3.29Å; I332-K336 WeakPolarHBondContact O-CB 3.39Å; I332-K336 WeakPolarHBondContact O-CG 3.49Å; I332-K336 PolarHBondContact O-N 2.82Å; I332-V347 HydrophobicContact CD1-CG1 3.43Å; I332-V347 VanDerWaalsContact CD1-CG1 3.43Å; I332-V347 HydrophobicContact CG1-CG1 4.42Å; I332-V349 HydrophobicContact CD1-CG2 3.73Å; I332-V349 HydrophobicContact CG1-CG2 4.11Å |
| 333 | N | 95.9 | Very high | 94.7 | Very high | 104 Ų | 104 | 53 Ų | 53 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.9 | -38.4 | -178.3 | -67.4 | -32.9 | 0 | 0 | 0 | 111.8 | Q331 N337 | Q331-N333 PolarHBondContact O-N 3.43Å; Q331-N333 VanDerWaalsContact O-N 3.07Å; N333-N337 VanDerWaalsContact O-CG 3.25Å; N333-N337 PolarHBondContact O-N 3.48Å; N333-N337 VanDerWaalsContact O-N 3.13Å; N333-N337 PolarHBondContact O-ND2 3.35Å; N333-N337 VanDerWaalsContact O-ND2 3.15Å |
| 334 | N | 95 | Very high | 94.2 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.5 | -50.6 | 178.6 | -65.8 | 2.9 | 0 | 0 | 0 | 109.9 | D269 Q331 K336 N337 Y338 | D269-N334 PolarHBondContact OD2-ND2 3.21Å; Q331-N334 PolarHBondContact O-N 3.01Å; N334-K336 VanDerWaalsContact C-N 3.35Å; N334-K336 PolarHBondContact O-N 3.35Å; N334-N337 WeakPolarHBondContact O-CA 3.32Å; N334-N337 WeakPolarHBondContact O-CB 3.37Å; N334-N337 PolarHBondContact O-N 3.21Å; N334-Y338 HydrophobicContact CB-CE2 4.3Å; N334-Y338 WeakPolarHBondContact O-CD2 3.26Å; N334-Y338 PolarHBondContact O-N 2.87Å |
| 335 | Y | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.9 | -26.9 | -179.3 | -72.9 | -90.4 | 0 | 0 | 0 | 113.7 | F239 F264 G268 S270 F325 V327 Q331 N337 Y338 A339 | F239-Y335 HydrophobicContact CE1-CE1 4.47Å; F264-Y335 HydrophobicContact CD1-CE1 4.11Å; F264-Y335 AromaticContact CE1-CE1 3.63Å; F264-Y335 HydrophobicContact CE1-CE1 3.63Å; F264-Y335 AromaticContact CE1-CZ 3.78Å; F264-Y335 WeakPolarHBondContact CE1-OH 3.48Å; F264-Y335 HydrophobicContact CZ-CE1 4.38Å; G268-Y335 WeakPolarHBondContact O-CE2 3.13Å; G268-Y335 PolarHBondContact O-OH 2.98Å; G268-Y335 VanDerWaalsContact O-OH 3.06Å; S270-Y335 PolarHBondContact N-OH 3.22Å; S270-Y335 PolarHBondContact OG-OH 3.26Å; F325-Y335 HydrophobicContact CB-CD1 4.09Å; F325-Y335 HydrophobicContact CB-CG 4.42Å; F325-Y335 AromaticContact CD1-CD1 3.37Å; F325-Y335 HydrophobicContact CD1-CD1 3.37Å; F325-Y335 AromaticContact CD1-CE1 3.77Å; F325-Y335 HydrophobicContact CD1-CE1 3.77Å; F325-Y335 HydrophobicContact CD1-CG 4.44Å; F325-Y335 HydrophobicContact CD2-CD1 4.25Å; F325-Y335 AromaticContact CE1-CD1 3.74Å; F325-Y335 HydrophobicContact CE1-CD1 3.74Å; F325-Y335 AromaticContact CE1-CE1 3.95Å; F325-Y335 HydrophobicContact CE1-CE1 3.95Å; F325-Y335 AromaticContact CG-CD1 3.66Å; F325-Y335 HydrophobicContact CG-CD1 3.66Å; F325-Y335 HydrophobicContact CG-CE1 4.48Å; F325-Y335 HydrophobicContact CG-CG 4.37Å; F325-Y335 HydrophobicContact CZ-CD1 4.31Å; V327-Y335 HydrophobicContact CB-CD2 4.14Å; V327-Y335 HydrophobicContact CB-CE2 4.42Å; V327-Y335 HydrophobicContact CG1-CD1 4.16Å; V327-Y335 HydrophobicContact CG1-CD2 3.74Å; V327-Y335 HydrophobicContact CG1-CE1 4.22Å; V327-Y335 HydrophobicContact CG1-CE2 3.82Å; V327-Y335 HydrophobicContact CG1-CG 3.9Å; V327-Y335 HydrophobicContact CG2-CD2 3.89Å; V327-Y335 HydrophobicContact CG2-CG 4.09Å; Q331-Y335 HydrophobicContact CB-CD2 3.82Å; Q331-Y335 HydrophobicContact CB-CE2 3.86Å; Q331-Y335 WeakPolarHBondContact O-CD2 3.45Å; Q331-Y335 PolarHBondContact O-N 2.97Å; Y335-N337 VanDerWaalsContact C-N 3.34Å; Y335-Y338 AromaticContact CD1-CD2 3.95Å; Y335-Y338 HydrophobicContact CD1-CD2 3.95Å; Y335-Y338 HydrophobicContact CE1-CD2 4.36Å; Y335-Y338 HydrophobicContact CG-CD2 4.21Å; Y335-Y338 PolarHBondContact O-N 3.44Å; Y335-A339 VanDerWaalsContact O-CB 3.28Å; Y335-A339 WeakPolarHBondContact O-CB 3.29Å; Y335-A339 PolarHBondContact O-N 3.44Å |
| 336 | K | 96.1 | Very high | 93.9 | Very high | 102 Ų | 102 | 55.4 Ų | 55.4 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 166.7 | -82.1 | 176.5 | 176.6 | 178.8 | 0 | 111.9 | I332 N334 Y338 A339 N340 V347 | I332-K336 HydrophobicContact CG1-CD 4.27Å; I332-K336 VanDerWaalsContact O-CB 3.29Å; I332-K336 WeakPolarHBondContact O-CB 3.39Å; I332-K336 WeakPolarHBondContact O-CG 3.49Å; I332-K336 PolarHBondContact O-N 2.82Å; N334-K336 VanDerWaalsContact C-N 3.35Å; N334-K336 PolarHBondContact O-N 3.35Å; K336-Y338 VanDerWaalsContact C-N 3.34Å; K336-A339 PolarHBondContact O-N 2.92Å; K336-N340 PolarHBondContact O-N 2.84Å; K336-N340 PolarHBondContact O-ND2 3.25Å; K336-N340 PolarHBondContact O-OD1 2.77Å; K336-V347 HydrophobicContact CG-CB 4.22Å; K336-V347 HydrophobicContact CG-CG1 4.34Å; K336-V347 HydrophobicContact CG-CG2 4.18Å |
| 337 | N | 95.2 | Very high | 93.9 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 175.9 | -66.5 | -30.3 | 0 | 0 | 0 | 111.4 | N333 N334 Y335 F341 | N333-N337 VanDerWaalsContact O-CG 3.25Å; N333-N337 PolarHBondContact O-N 3.48Å; N333-N337 VanDerWaalsContact O-N 3.13Å; N333-N337 PolarHBondContact O-ND2 3.35Å; N333-N337 VanDerWaalsContact O-ND2 3.15Å; N334-N337 WeakPolarHBondContact O-CA 3.32Å; N334-N337 WeakPolarHBondContact O-CB 3.37Å; N334-N337 PolarHBondContact O-N 3.21Å; Y335-N337 VanDerWaalsContact C-N 3.34Å; N337-F341 WeakPolarHBondContact O-CD2 3.3Å; N337-F341 WeakPolarHBondContact O-CE2 3.11Å |
| 338 | Y | 95 | Very high | 93.8 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 174.1 | -57.5 | -35.3 | 0 | 0 | 0 | 112.4 | F239 L309 N334 Y335 K336 N340 F341 I342 | F239-Y338 AromaticContact CZ-CD2 3.87Å; F239-Y338 HydrophobicContact CZ-CD2 3.87Å; F239-Y338 HydrophobicContact CZ-CE2 4.02Å; F239-Y338 HydrophobicContact CZ-CG 4.29Å; L309-Y338 HydrophobicContact CD2-CD1 4.17Å; N334-Y338 HydrophobicContact CB-CE2 4.3Å; N334-Y338 WeakPolarHBondContact O-CD2 3.26Å; N334-Y338 PolarHBondContact O-N 2.87Å; Y335-Y338 AromaticContact CD1-CD2 3.95Å; Y335-Y338 HydrophobicContact CD1-CD2 3.95Å; Y335-Y338 HydrophobicContact CE1-CD2 4.36Å; Y335-Y338 HydrophobicContact CG-CD2 4.21Å; Y335-Y338 PolarHBondContact O-N 3.44Å; K336-Y338 VanDerWaalsContact C-N 3.34Å; Y338-N340 PolarHBondContact O-N 3.11Å; Y338-F341 PolarHBondContact O-N 2.68Å; Y338-I342 PolarHBondContact O-N 2.95Å |
| 339 | A | 93.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -31.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F325 Y335 K336 F341 I342 A345 V347 | F325-A339 HydrophobicContact CD2-CB 4.29Å; F325-A339 HydrophobicContact CE2-CB 4.44Å; Y335-A339 VanDerWaalsContact O-CB 3.28Å; Y335-A339 WeakPolarHBondContact O-CB 3.29Å; Y335-A339 PolarHBondContact O-N 3.44Å; K336-A339 PolarHBondContact O-N 2.92Å; A339-F341 PolarHBondContact O-N 2.81Å; A339-F341 VanDerWaalsContact O-N 3.15Å; A339-I342 PolarHBondContact O-N 3.03Å; A339-I342 VanDerWaalsContact O-N 3.08Å; A339-A345 HydrophobicContact CB-CB 3.89Å; A339-V347 HydrophobicContact CB-CG2 3.45Å; A339-V347 VanDerWaalsContact CB-CG2 3.45Å |
| 340 | N | 92.3 | Very high | 93.8 | Very high | 131 Ų | 131 | 53.7 Ų | 53.7 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.1 | 174.9 | -70.3 | -24.3 | 0 | 0 | 0 | 113.6 | K336 Y338 | K336-N340 PolarHBondContact O-N 2.84Å; K336-N340 PolarHBondContact O-ND2 3.25Å; K336-N340 PolarHBondContact O-OD1 2.77Å; Y338-N340 PolarHBondContact O-N 3.11Å |
| 341 | F | 91.2 | Very high | 93.8 | Very high | 133 Ų | 133 | 45.8 Ų | 45.8 | 58% | 0.583 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -18.2 | 176.6 | -61.6 | -71.3 | 0 | 0 | 0 | 113.5 | L309 I313 N337 Y338 A339 P343 | L309-F341 HydrophobicContact CD2-CB 4.18Å; L309-F341 HydrophobicContact CD2-CD2 3.73Å; L309-F341 HydrophobicContact CD2-CE2 4.48Å; L309-F341 HydrophobicContact CD2-CG 4.2Å; I313-F341 HydrophobicContact CD1-CB 3.77Å; I313-F341 WeakPolarHBondContact CD1-O 3.49Å; N337-F341 WeakPolarHBondContact O-CD2 3.3Å; N337-F341 WeakPolarHBondContact O-CE2 3.11Å; Y338-F341 PolarHBondContact O-N 2.68Å; A339-F341 PolarHBondContact O-N 2.81Å; A339-F341 VanDerWaalsContact O-N 3.15Å; F341-P343 WeakPolarHBondContact O-CD 3.37Å |
| 342 | I | 90.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -102.1 | 108.8 | -176.3 | -57.9 | 159.4 | 0 | 0 | 0 | 108.5 | L309 L312 I313 V316 L323 F325 Y338 A339 G344 A345 | L309-I342 HydrophobicContact CD1-CD1 4.11Å; L309-I342 HydrophobicContact CD1-CG1 4.35Å; L312-I342 HydrophobicContact CD2-CD1 3.99Å; I313-I342 HydrophobicContact CD1-CG1 4.29Å; I313-I342 HydrophobicContact CG1-CB 4.36Å; I313-I342 HydrophobicContact CG1-CG1 3.56Å; V316-I342 HydrophobicContact CG1-CG2 4.36Å; L323-I342 HydrophobicContact CD1-CD1 4.1Å; L323-I342 HydrophobicContact CD1-CG2 4.25Å; F325-I342 HydrophobicContact CE2-CD1 3.93Å; F325-I342 HydrophobicContact CZ-CD1 3.97Å; Y338-I342 PolarHBondContact O-N 2.95Å; A339-I342 PolarHBondContact O-N 3.03Å; A339-I342 VanDerWaalsContact O-N 3.08Å; I342-G344 PolarHBondContact O-N 3.42Å; I342-A345 HydrophobicContact CB-CB 3.68Å; I342-A345 HydrophobicContact CG2-CB 3.74Å; I342-A345 WeakPolarHBondContact O-CB 3.37Å; I342-A345 PolarHBondContact O-N 2.83Å; I342-A345 VanDerWaalsContact O-N 3.09Å |
| 343 | P | 86.1 | Confident | 93.1 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 133.2 | 176.4 | -25.5 | 35.9 | 0 | 0 | 0 | 111.9 | V317 F341 A345 E375 | V317-P343 HydrophobicContact CG2-CG 4.37Å; F341-P343 WeakPolarHBondContact O-CD 3.37Å; P343-A345 PolarHBondContact O-N 3.38Å; P343-E375 WeakPolarHBondContact CB-OE1 3.34Å |
| 344 | G | 86.1 | Confident | 92.9 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 19% | 0.186 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 6.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I342 L368 | I342-G344 PolarHBondContact O-N 3.42Å; G344-L368 WeakPolarHBondContact O-CD2 3.48Å |
| 345 | A | 93.8 | Very high | 92.7 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | trans | -76.9 | 138.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L323 F325 A339 I342 P343 | L323-A345 HydrophobicContact CB-CB 4.23Å; L323-A345 CarbonylContact O-C 3.35Å; L323-A345 VanDerWaalsContact O-CA 3.29Å; L323-A345 WeakPolarHBondContact O-CA 3.43Å; F325-A345 HydrophobicContact CE2-CB 4.35Å; A339-A345 HydrophobicContact CB-CB 3.89Å; I342-A345 HydrophobicContact CB-CB 3.68Å; I342-A345 HydrophobicContact CG2-CB 3.74Å; I342-A345 WeakPolarHBondContact O-CB 3.37Å; I342-A345 PolarHBondContact O-N 2.83Å; I342-A345 VanDerWaalsContact O-N 3.09Å; P343-A345 PolarHBondContact O-N 3.38Å | ||
| 346 | T | 94.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.9 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | L323 F325 L368 | L323-T346 PolarHBondContact O-N 3.29Å; F325-T346 PolarHBondContact N-O 3.38Å; T346-L368 HydrophobicContact CG2-CD2 3.91Å; T346-L368 HydrophobicContact CG2-CG 4.05Å |
| 347 | V | 96.8 | Very high | 92.4 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.8 | -179.9 | -165.8 | 0 | 0 | 0 | 0 | 109.9 | F325 V327 I332 K336 A339 | F325-V347 HydrophobicContact CB-CB 4.49Å; F325-V347 HydrophobicContact CB-CG1 4.11Å; F325-V347 HydrophobicContact CB-CG2 4.28Å; F325-V347 HydrophobicContact CD2-CG2 4.27Å; F325-V347 CarbonylContact O-C 3.51Å; F325-V347 WeakPolarHBondContact O-CA 3.32Å; V327-V347 HydrophobicContact CG2-CG1 4.21Å; I332-V347 HydrophobicContact CD1-CG1 3.43Å; I332-V347 VanDerWaalsContact CD1-CG1 3.43Å; I332-V347 HydrophobicContact CG1-CG1 4.42Å; K336-V347 HydrophobicContact CG-CB 4.22Å; K336-V347 HydrophobicContact CG-CG1 4.34Å; K336-V347 HydrophobicContact CG-CG2 4.18Å; A339-V347 HydrophobicContact CB-CG2 3.45Å; A339-V347 VanDerWaalsContact CB-CG2 3.45Å |
| 348 | G | 95.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F325 V327 L350 | F325-G348 PolarHBondContact O-N 3.39Å; V327-G348 PolarHBondContact N-O 3.29Å; V327-G348 VanDerWaalsContact N-O 3.12Å; G348-L350 PolarHBondContact O-N 3.42Å |
| 349 | V | 95.9 | Very high | 92.1 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 116.9 | 175.9 | -177 | 0 | 0 | 0 | 0 | 109.4 | E329 I332 N356 | E329-V349 HydrophobicContact CB-CG1 4.28Å; I332-V349 HydrophobicContact CD1-CG2 3.73Å; I332-V349 HydrophobicContact CG1-CG2 4.11Å; V349-N356 PolarHBondContact O-ND2 2.85Å |
| 350 | L | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.3 | 174.7 | -167.1 | 66.1 | 0 | 0 | 0 | 110.2 | V265 A326 V327 G348 S354 I357 | V265-L350 HydrophobicContact CG1-CD2 3.52Å; A326-L350 HydrophobicContact CB-CD1 4.48Å; V327-L350 WeakPolarHBondContact O-CB 3.41Å; V327-L350 PolarHBondContact O-N 2.98Å; G348-L350 PolarHBondContact O-N 3.42Å; L350-S354 WeakPolarHBondContact CD2-OG 3.34Å; L350-I357 HydrophobicContact CD1-CB 3.95Å; L350-I357 HydrophobicContact CD1-CD1 3.81Å; L350-I357 HydrophobicContact CD1-CG1 4.38Å |
| 351 | A | 93.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 151.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | D353 S354 R355 N356 | A351-D353 WeakPolarHBondContact CB-OD1 3.06Å; A351-D353 PolarHBondContact O-N 3.34Å; A351-S354 PolarHBondContact O-N 3.15Å; A351-R355 HydrophobicContact CB-CG 3.94Å; A351-N356 VanDerWaalsContact CB-OD1 3.27Å; A351-N356 WeakPolarHBondContact CB-OD1 3.31Å; A351-N356 PolarHBondContact N-OD1 2.92Å |
| 352 | S | 89.3 | Confident | 92.2 | Very high | 87 Ų | 87 | 35.8 Ų | 35.8 | 61% | 0.608 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.2 | -177.5 | 61.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 353 | D | 87.5 | Confident | 92.4 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 11.1 | 177.8 | 61.1 | -6 | 0 | 0 | 0 | 112 | M147 A351 R355 | M147-D353 WeakPolarHBondContact CB-O 3.42Å; M147-D353 WeakPolarHBondContact CG-O 3.44Å; A351-D353 WeakPolarHBondContact CB-OD1 3.06Å; A351-D353 PolarHBondContact O-N 3.34Å; D353-R355 PolarHBondContact O-N 3.1Å; D353-R355 WeakPolarHBondContact OD1-CB 3.33Å; D353-R355 WeakPolarHBondContact OD1-CG 3.49Å; D353-R355 IonicContact OD1-CZ 3.67Å; D353-R355 PolarHBondContact OD1-N 3.34Å; D353-R355 VanDerWaalsContact OD1-N 3.15Å; D353-R355 IonicContact OD1-NE 3.89Å; D353-R355 IonicContact OD1-NH1 2.68Å; D353-R355 PolarHBondContact OD1-NH1 3.03Å; D353-R355 IonicContact OD2-CZ 3.84Å; D353-R355 IonicContact OD2-NH1 3.38Å; D353-R355 PolarHBondContact OD2-NH1 2.98Å |
| 354 | S | 90.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | 56.1 | 17.5 | -174.5 | -73 | 0 | 0 | 0 | 0 | 116.1 | D144 L350 A351 N356 I357 | D144-S354 WeakPolarHBondContact OD1-CB 3.42Å; D144-S354 PolarHBondContact OD1-N 3.27Å; D144-S354 VanDerWaalsContact OD1-N 3.08Å; D144-S354 PolarHBondContact OD1-OG 3.25Å; L350-S354 WeakPolarHBondContact CD2-OG 3.34Å; A351-S354 PolarHBondContact O-N 3.15Å; S354-N356 PolarHBondContact O-N 2.78Å; S354-I357 WeakPolarHBondContact O-CB 3.15Å; S354-I357 WeakPolarHBondContact O-CG2 3.25Å; S354-I357 PolarHBondContact O-N 2.91Å; S354-I357 VanDerWaalsContact O-N 3.11Å | ||
| 355 | R | 91 | Very high | 93 | Very high | 157 Ų | 157 | 37.3 Ų | 37.3 | 59% | 0.592 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.2 | -175.7 | 71.5 | -175.9 | 167 | -102.6 | -3.7 | 114.9 | M147 A351 D353 | M147-R355 HydrophobicContact CE-CB 4.4Å; M147-R355 HydrophobicContact CG-CB 4.38Å; M147-R355 HydrophobicContact SD-CB 4.44Å; A351-R355 HydrophobicContact CB-CG 3.94Å; D353-R355 PolarHBondContact O-N 3.1Å; D353-R355 WeakPolarHBondContact OD1-CB 3.33Å; D353-R355 WeakPolarHBondContact OD1-CG 3.49Å; D353-R355 IonicContact OD1-CZ 3.67Å; D353-R355 PolarHBondContact OD1-N 3.34Å; D353-R355 VanDerWaalsContact OD1-N 3.15Å; D353-R355 IonicContact OD1-NE 3.89Å; D353-R355 IonicContact OD1-NH1 2.68Å; D353-R355 PolarHBondContact OD1-NH1 3.03Å; D353-R355 IonicContact OD2-CZ 3.84Å; D353-R355 IonicContact OD2-NH1 3.38Å; D353-R355 PolarHBondContact OD2-NH1 2.98Å |
| 356 | N | 93.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 7.9 | -178.1 | 72.1 | -37.2 | 0 | 0 | 0 | 113.5 | V349 A351 S354 L358 D359 V360 | V349-N356 PolarHBondContact O-ND2 2.85Å; A351-N356 VanDerWaalsContact CB-OD1 3.27Å; A351-N356 WeakPolarHBondContact CB-OD1 3.31Å; A351-N356 PolarHBondContact N-OD1 2.92Å; S354-N356 PolarHBondContact O-N 2.78Å; N356-L358 PolarHBondContact O-N 2.82Å; N356-D359 PolarHBondContact O-N 3.48Å; N356-V360 WeakPolarHBondContact O-CG2 3.37Å; N356-V360 PolarHBondContact O-N 3.5Å; N356-V360 VanDerWaalsContact O-N 3.07Å |
| 357 | I | 92.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.1 | -36.1 | -176.3 | -175.2 | 58.3 | 0 | 0 | 0 | 112.8 | Y133 I148 L151 V263 V265 A326 L350 S354 D359 V360 I361 | Y133-I357 HydrophobicContact CE2-CD1 4.34Å; Y133-I357 HydrophobicContact CE2-CG1 3.88Å; I148-I357 HydrophobicContact CG2-CG2 4.34Å; L151-I357 HydrophobicContact CD1-CG2 3.71Å; L151-I357 HydrophobicContact CD2-CG1 4.41Å; L151-I357 HydrophobicContact CD2-CG2 3.79Å; L151-I357 HydrophobicContact CG-CG2 4.4Å; V263-I357 HydrophobicContact CG1-CD1 4.35Å; V265-I357 HydrophobicContact CG2-CD1 4.05Å; A326-I357 HydrophobicContact CB-CD1 3.68Å; L350-I357 HydrophobicContact CD1-CB 3.95Å; L350-I357 HydrophobicContact CD1-CD1 3.81Å; L350-I357 HydrophobicContact CD1-CG1 4.38Å; S354-I357 WeakPolarHBondContact O-CB 3.15Å; S354-I357 WeakPolarHBondContact O-CG2 3.25Å; S354-I357 PolarHBondContact O-N 2.91Å; S354-I357 VanDerWaalsContact O-N 3.11Å; I357-D359 PolarHBondContact O-N 3.18Å; I357-V360 PolarHBondContact O-N 3.4Å; I357-I361 HydrophobicContact CD1-CD1 4.16Å; I357-I361 HydrophobicContact CD1-CG1 4.25Å; I357-I361 HydrophobicContact CG1-CD1 3.92Å; I357-I361 HydrophobicContact CG1-CG1 4.45Å; I357-I361 VanDerWaalsContact O-CG1 3.32Å; I357-I361 WeakPolarHBondContact O-CG1 3.36Å; I357-I361 PolarHBondContact O-N 3.15Å |
| 358 | L | 91.3 | Very high | 92.3 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.7 | -175.6 | 148.3 | 0 | 0 | 0 | 111.4 | L151 L155 E158 N356 V360 I361 V362 | L151-L358 HydrophobicContact CD1-CB 4.2Å; L155-L358 HydrophobicContact CB-CD1 4.41Å; L155-L358 HydrophobicContact CD1-CG 4.36Å; E158-L358 HydrophobicContact CB-CD2 4.48Å; E158-L358 HydrophobicContact CG-CD1 4.11Å; E158-L358 HydrophobicContact CG-CD2 3.95Å; N356-L358 PolarHBondContact O-N 2.82Å; L358-V360 VanDerWaalsContact C-N 3.32Å; L358-V360 PolarHBondContact O-N 2.95Å; L358-I361 PolarHBondContact O-N 3.28Å; L358-V362 HydrophobicContact CD2-CG2 4.2Å; L358-V362 WeakPolarHBondContact O-CG2 3.43Å; L358-V362 PolarHBondContact O-N 2.81Å |
| 359 | D | 92.1 | Very high | 91.9 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.7 | -37.8 | 179.9 | -66.8 | -33.7 | 0 | 0 | 0 | 110.9 | N356 I357 T363 | N356-D359 PolarHBondContact O-N 3.48Å; I357-D359 PolarHBondContact O-N 3.18Å; D359-T363 WeakPolarHBondContact O-CB 3.33Å; D359-T363 PolarHBondContact O-N 3.5Å; D359-T363 PolarHBondContact O-OG1 3.04Å |
| 360 | V | 94.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -51.3 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | A326 N356 I357 L358 T363 A364 | A326-V360 HydrophobicContact CB-CG1 4.02Å; N356-V360 WeakPolarHBondContact O-CG2 3.37Å; N356-V360 PolarHBondContact O-N 3.5Å; N356-V360 VanDerWaalsContact O-N 3.07Å; I357-V360 PolarHBondContact O-N 3.4Å; L358-V360 VanDerWaalsContact C-N 3.32Å; L358-V360 PolarHBondContact O-N 2.95Å; V360-T363 PolarHBondContact O-N 2.82Å; V360-A364 WeakPolarHBondContact O-CB 3.49Å; V360-A364 PolarHBondContact O-N 3.26Å |
| 361 | I | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | -179.1 | -66 | 166.5 | 0 | 0 | 0 | 111.1 | M131 Y133 L155 V263 I357 L358 T363 A364 Y365 | M131-I361 HydrophobicContact SD-CD1 4.23Å; M131-I361 HydrophobicContact SD-CG2 3.88Å; Y133-I361 HydrophobicContact CD2-CD1 4.47Å; Y133-I361 HydrophobicContact CE2-CD1 4.33Å; L155-I361 HydrophobicContact CD1-CB 4.47Å; L155-I361 HydrophobicContact CD1-CG2 4.08Å; L155-I361 HydrophobicContact CD2-CD1 3.72Å; V263-I361 HydrophobicContact CG1-CD1 4.1Å; V263-I361 HydrophobicContact CG1-CG1 3.98Å; V263-I361 HydrophobicContact CG2-CD1 4.23Å; V263-I361 HydrophobicContact CG2-CG1 4.07Å; I357-I361 HydrophobicContact CD1-CD1 4.16Å; I357-I361 HydrophobicContact CD1-CG1 4.25Å; I357-I361 HydrophobicContact CG1-CD1 3.92Å; I357-I361 HydrophobicContact CG1-CG1 4.45Å; I357-I361 VanDerWaalsContact O-CG1 3.32Å; I357-I361 WeakPolarHBondContact O-CG1 3.36Å; I357-I361 PolarHBondContact O-N 3.15Å; L358-I361 PolarHBondContact O-N 3.28Å; I361-T363 VanDerWaalsContact C-N 3.31Å; I361-T363 PolarHBondContact O-N 2.85Å; I361-A364 PolarHBondContact O-N 2.9Å; I361-Y365 WeakPolarHBondContact O-CB 3.27Å; I361-Y365 PolarHBondContact O-N 2.86Å |
| 362 | V | 92.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -37 | -178.6 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | E158 L162 L358 K366 | E158-V362 HydrophobicContact CB-CG2 4.28Å; L162-V362 HydrophobicContact CD1-CG1 4.43Å; L358-V362 HydrophobicContact CD2-CG2 4.2Å; L358-V362 WeakPolarHBondContact O-CG2 3.43Å; L358-V362 PolarHBondContact O-N 2.81Å; V362-K366 HydrophobicContact CG1-CD 4.25Å; V362-K366 VanDerWaalsContact O-CG 3.31Å; V362-K366 WeakPolarHBondContact O-CG 2.83Å; V362-K366 PolarHBondContact O-N 2.98Å; V362-K366 VanDerWaalsContact O-N 3.09Å |
| 363 | T | 93.3 | Very high | 91.5 | Very high | 83 Ų | 83 | 42 Ų | 42 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.9 | -48.8 | 177 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | D359 V360 I361 Y365 K366 E367 | D359-T363 WeakPolarHBondContact O-CB 3.33Å; D359-T363 PolarHBondContact O-N 3.5Å; D359-T363 PolarHBondContact O-OG1 3.04Å; V360-T363 PolarHBondContact O-N 2.82Å; I361-T363 VanDerWaalsContact C-N 3.31Å; I361-T363 PolarHBondContact O-N 2.85Å; T363-Y365 VanDerWaalsContact C-N 3.32Å; T363-Y365 PolarHBondContact O-N 3.47Å; T363-K366 PolarHBondContact O-N 3.43Å; T363-K366 VanDerWaalsContact O-N 3.13Å; T363-E367 PolarHBondContact O-N 2.84Å |
| 364 | A | 93.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 40 Ų | 40 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I324 V360 I361 K366 E367 L368 | I324-A364 HydrophobicContact CD1-CB 3.87Å; I324-A364 HydrophobicContact CG1-CB 4.17Å; I324-A364 HydrophobicContact CG2-CB 3.83Å; V360-A364 WeakPolarHBondContact O-CB 3.49Å; V360-A364 PolarHBondContact O-N 3.26Å; I361-A364 PolarHBondContact O-N 2.9Å; A364-K366 PolarHBondContact O-N 2.84Å; A364-E367 PolarHBondContact O-N 2.9Å; A364-L368 WeakPolarHBondContact O-CB 3.05Å; A364-L368 VanDerWaalsContact O-CG 3.26Å; A364-L368 WeakPolarHBondContact O-CG 3.03Å; A364-L368 PolarHBondContact O-N 3.43Å |
| 365 | Y | 91.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 174.8 | 174 | -97.4 | 0 | 0 | 0 | 112.4 | V129 M159 L162 M259 L261 I361 T363 E367 L368 R369 | V129-Y365 HydrophobicContact CG2-CE2 3.7Å; M159-Y365 HydrophobicContact CE-CD2 4.21Å; M159-Y365 HydrophobicContact CE-CE2 4.41Å; M159-Y365 HydrophobicContact CE-CG 4.26Å; L162-Y365 HydrophobicContact CB-CE1 3.81Å; L162-Y365 HydrophobicContact CD1-CD1 3.67Å; L162-Y365 HydrophobicContact CD1-CE1 3.78Å; L162-Y365 HydrophobicContact CG-CE1 4.26Å; M259-Y365 HydrophobicContact SD-CD2 4.13Å; M259-Y365 HydrophobicContact SD-CE2 3.79Å; L261-Y365 HydrophobicContact CD1-CD2 3.98Å; I361-Y365 WeakPolarHBondContact O-CB 3.27Å; I361-Y365 PolarHBondContact O-N 2.86Å; T363-Y365 VanDerWaalsContact C-N 3.32Å; T363-Y365 PolarHBondContact O-N 3.47Å; Y365-E367 VanDerWaalsContact C-N 3.33Å; Y365-E367 PolarHBondContact O-N 3.02Å; Y365-L368 PolarHBondContact O-N 3.47Å; Y365-R369 HydrophobicContact CD1-CG 4.28Å; Y365-R369 HydrophobicContact CD2-CG 4.17Å; Y365-R369 HydrophobicContact CE1-CG 3.9Å; Y365-R369 HydrophobicContact CE2-CG 3.78Å; Y365-R369 HydrophobicContact CG-CG 4.44Å; Y365-R369 WeakPolarHBondContact O-CB 3.49Å; Y365-R369 WeakPolarHBondContact O-CG 3.43Å; Y365-R369 PolarHBondContact O-N 2.88Å |
| 366 | K | 90.1 | Very high | 91.7 | Very high | 119 Ų | 119 | 35.5 Ų | 35.5 | 52% | 0.517 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.1 | -39.1 | 178.4 | -75.1 | 172.1 | -178.4 | 172.8 | 0 | 112.1 | V362 T363 A364 R369 S370 | V362-K366 HydrophobicContact CG1-CD 4.25Å; V362-K366 VanDerWaalsContact O-CG 3.31Å; V362-K366 WeakPolarHBondContact O-CG 2.83Å; V362-K366 PolarHBondContact O-N 2.98Å; V362-K366 VanDerWaalsContact O-N 3.09Å; T363-K366 PolarHBondContact O-N 3.43Å; T363-K366 VanDerWaalsContact O-N 3.13Å; A364-K366 PolarHBondContact O-N 2.84Å; K366-R369 PolarHBondContact O-N 2.99Å; K366-S370 WeakPolarHBondContact O-CB 3.41Å; K366-S370 PolarHBondContact O-N 3.28Å; K366-S370 PolarHBondContact O-OG 3.46Å |
| 367 | E | 90.4 | Very high | 91.5 | Very high | 102 Ų | 102 | 36.1 Ų | 36.1 | 48% | 0.477 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.1 | -52.5 | 176.1 | -175.3 | 173.1 | -177.5 | 0 | 0 | 110.8 | T363 A364 Y365 R369 S370 E371 | T363-E367 PolarHBondContact O-N 2.84Å; A364-E367 PolarHBondContact O-N 2.9Å; Y365-E367 VanDerWaalsContact C-N 3.33Å; Y365-E367 PolarHBondContact O-N 3.02Å; E367-R369 PolarHBondContact O-N 2.9Å; E367-S370 WeakPolarHBondContact O-CA 3.38Å; E367-S370 PolarHBondContact O-N 3.45Å; E367-S370 PolarHBondContact O-OG 2.99Å; E367-E371 PolarHBondContact O-N 3.31Å |
| 368 | L | 89.9 | Confident | 91.3 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -35.1 | 176.5 | -70.2 | 167.7 | 0 | 0 | 0 | 112.6 | M259 L261 L322 G344 T346 A364 Y365 S370 E371 | M259-L368 HydrophobicContact CE-CB 3.52Å; M259-L368 HydrophobicContact CE-CD1 4.01Å; M259-L368 HydrophobicContact CE-CG 4.34Å; L261-L368 HydrophobicContact CD2-CD1 3.97Å; L322-L368 HydrophobicContact CB-CD1 4.31Å; L322-L368 HydrophobicContact CD1-CD1 4.11Å; L322-L368 HydrophobicContact CD1-CD2 4.39Å; G344-L368 WeakPolarHBondContact O-CD2 3.48Å; T346-L368 HydrophobicContact CG2-CD2 3.91Å; T346-L368 HydrophobicContact CG2-CG 4.05Å; A364-L368 WeakPolarHBondContact O-CB 3.05Å; A364-L368 VanDerWaalsContact O-CG 3.26Å; A364-L368 WeakPolarHBondContact O-CG 3.03Å; A364-L368 PolarHBondContact O-N 3.43Å; Y365-L368 PolarHBondContact O-N 3.47Å; L368-S370 VanDerWaalsContact C-N 3.3Å; L368-E371 VanDerWaalsContact O-O 3.11Å |
| 369 | R | 88.1 | Confident | 91 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -80 | -12.5 | 177.6 | -70.3 | -67.5 | -58.3 | -172.4 | -7.6 | 114 | H123 T124 M259 Y365 K366 E367 | H123-R369 PolarHBondContact ND1-NH1 2.04Å; T124-R369 PolarHBondContact O-NH2 3.46Å; M259-R369 HydrophobicContact CE-CG 4.43Å; M259-R369 HydrophobicContact SD-CG 4.4Å; Y365-R369 HydrophobicContact CD1-CG 4.28Å; Y365-R369 HydrophobicContact CD2-CG 4.17Å; Y365-R369 HydrophobicContact CE1-CG 3.9Å; Y365-R369 HydrophobicContact CE2-CG 3.78Å; Y365-R369 HydrophobicContact CG-CG 4.44Å; Y365-R369 WeakPolarHBondContact O-CB 3.49Å; Y365-R369 WeakPolarHBondContact O-CG 3.43Å; Y365-R369 PolarHBondContact O-N 2.88Å; K366-R369 PolarHBondContact O-N 2.99Å; E367-R369 PolarHBondContact O-N 2.9Å |
| 370 | S | 90.6 | Very high | 90.7 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.1 | 176.5 | 75.4 | 0 | 0 | 0 | 0 | 113 | K366 E367 L368 S404 N405 I406 | K366-S370 WeakPolarHBondContact O-CB 3.41Å; K366-S370 PolarHBondContact O-N 3.28Å; K366-S370 PolarHBondContact O-OG 3.46Å; E367-S370 WeakPolarHBondContact O-CA 3.38Å; E367-S370 PolarHBondContact O-N 3.45Å; E367-S370 PolarHBondContact O-OG 2.99Å; L368-S370 VanDerWaalsContact C-N 3.3Å; S370-S404 CarbonylContact O-C 3.57Å; S370-S404 WeakPolarHBondContact O-CA 3.47Å; S370-N405 PolarHBondContact O-N 3.42Å; S370-I406 WeakPolarHBondContact CA-O 3.43Å; S370-I406 PolarHBondContact O-N 3.45Å |
| 371 | E | 90.9 | Very high | 90 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.5 | -177.2 | -177 | 152.2 | 136.8 | 0 | 0 | 110.5 | H123 E367 L368 R402 C403 S404 | H123-E371 PolarHBondContact NE2-O 3Å; E367-E371 PolarHBondContact O-N 3.31Å; L368-E371 VanDerWaalsContact O-O 3.11Å; E371-R402 HydrophobicContact CG-CG 4.11Å; E371-R402 WeakPolarHBondContact OE1-CD 3.46Å; E371-R402 IonicContact OE1-CZ 3.16Å; E371-R402 IonicContact OE1-NE 3.64Å; E371-R402 IonicContact OE1-NH1 2.98Å; E371-R402 PolarHBondContact OE1-NH1 3.08Å; E371-C403 CarbonylContact C-O 3.33Å; E371-C403 WeakPolarHBondContact CA-O 3.36Å; E371-S404 PolarHBondContact OE2-OG 3.37Å |
| 372 | I | 91.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.1 | 168.4 | -66.7 | 175.6 | 0 | 0 | 0 | 106.6 | V121 H123 R402 C403 I406 V412 F414 | V121-I372 HydrophobicContact CB-CD1 4.38Å; V121-I372 HydrophobicContact CB-CG2 3.98Å; V121-I372 HydrophobicContact CG1-CD1 4.03Å; V121-I372 HydrophobicContact CG1-CG2 3.78Å; V121-I372 HydrophobicContact CG2-CG2 4.45Å; H123-I372 VanDerWaalsContact CD2-CG1 3.45Å; H123-I372 WeakPolarHBondContact CD2-CG1 3.43Å; H123-I372 VanDerWaalsContact NE2-CG1 3.25Å; H123-I372 WeakPolarHBondContact NE2-CG1 3.22Å; I372-R402 CarbonylContact O-C 3.53Å; I372-R402 VanDerWaalsContact O-CA 3.32Å; I372-R402 WeakPolarHBondContact O-CA 3.37Å; I372-C403 PolarHBondContact N-O 2.84Å; I372-C403 PolarHBondContact O-N 2.85Å; I372-I406 HydrophobicContact CB-CD1 3.7Å; I372-I406 HydrophobicContact CD1-CD1 3.88Å; I372-I406 HydrophobicContact CD1-CG2 4.46Å; I372-I406 HydrophobicContact CG1-CD1 3.6Å; I372-V412 HydrophobicContact CB-CG2 4.35Å; I372-V412 HydrophobicContact CD1-CB 4.31Å; I372-V412 HydrophobicContact CD1-CG2 3.81Å; I372-F414 HydrophobicContact CG2-CE2 3.86Å; I372-F414 HydrophobicContact CG2-CZ 3.86Å |
| 373 | E | 92.3 | Very high | 89.1 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143 | 170.7 | 177.2 | 165 | -175.1 | 0 | 0 | 109.7 | K401 R402 P434 V435 | E373-K401 WeakPolarHBondContact CA-O 3.19Å; E373-K401 WeakPolarHBondContact OE1-CE 3.21Å; E373-K401 IonicContact OE1-NZ 3.2Å; E373-R402 HydrophobicContact CB-CB 4.12Å; E373-R402 HydrophobicContact CB-CG 4.39Å; E373-R402 HydrophobicContact CG-CB 4.23Å; E373-R402 IonicContact OE2-CZ 3.81Å; E373-R402 IonicContact OE2-NE 3.01Å; E373-R402 IonicContact OE2-NH1 2.68Å; E373-R402 IonicContact OE2-NH2 2.68Å; E373-P434 CarbonylContact O-C 3.56Å; E373-P434 VanDerWaalsContact O-CA 3.29Å; E373-P434 WeakPolarHBondContact O-CA 3.25Å; E373-V435 HydrophobicContact CB-CG2 3.8Å; E373-V435 HydrophobicContact CG-CG2 3.97Å; E373-V435 PolarHBondContact O-N 3.46Å |
| 374 | L | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.9 | 178.7 | -162.2 | 71.2 | 0 | 0 | 0 | 110.9 | F387 K401 F414 V416 L432 P434 | L374-F387 HydrophobicContact CD2-CD1 4.44Å; L374-F387 HydrophobicContact CD2-CE1 4.23Å; L374-K401 PolarHBondContact N-O 3.18Å; L374-K401 WeakPolarHBondContact O-CD 3.42Å; L374-K401 PolarHBondContact O-NZ 2.93Å; L374-F414 HydrophobicContact CB-CE1 4.43Å; L374-F414 HydrophobicContact CB-CZ 4.43Å; L374-F414 HydrophobicContact CD2-CB 4.32Å; L374-F414 HydrophobicContact CD2-CD2 4.43Å; L374-F414 HydrophobicContact CD2-CG 4.22Å; L374-V416 HydrophobicContact CD2-CG2 4.39Å; L374-L432 HydrophobicContact CD1-CB 4.26Å; L374-L432 HydrophobicContact CD2-CB 4.18Å; L374-L432 HydrophobicContact CD2-CD1 4.44Å; L374-L432 HydrophobicContact CD2-CD2 4.29Å; L374-L432 HydrophobicContact CG-CB 4.33Å; L374-P434 HydrophobicContact CD1-CG 4.35Å |
| 375 | E | 90.8 | Very high | 88.8 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 152.4 | 173.4 | -64.4 | -179.2 | 158 | 0 | 0 | 110.8 | P343 L432 K433 V435 | P343-E375 WeakPolarHBondContact CB-OE1 3.34Å; E375-L432 WeakPolarHBondContact O-CA 3.32Å; E375-K433 PolarHBondContact N-O 3.05Å; E375-K433 PolarHBondContact O-N 3.39Å; E375-V435 HydrophobicContact CG-CG2 3.6Å; E375-V435 WeakPolarHBondContact OE1-CG2 3.38Å |
| 376 | V | 91.9 | Very high | 88.9 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125 | 175.3 | -166.9 | 0 | 0 | 0 | 0 | 107.3 | T380 M385 F387 F430 S431 L432 | V376-T380 HydrophobicContact CG1-CG2 3.58Å; V376-M385 HydrophobicContact CG1-CE 4.26Å; V376-M385 HydrophobicContact CG1-SD 3.89Å; V376-M385 HydrophobicContact CG2-SD 4.48Å; V376-F387 HydrophobicContact CG2-CE1 4.33Å; V376-F387 HydrophobicContact CG2-CE2 4.43Å; V376-F387 HydrophobicContact CG2-CZ 3.62Å; V376-F430 HydrophobicContact CG1-CD2 4.31Å; V376-S431 WeakPolarHBondContact CA-O 3.49Å; V376-L432 HydrophobicContact CB-CD2 4.26Å; V376-L432 HydrophobicContact CG1-CD2 4.05Å; V376-L432 HydrophobicContact CG2-CD2 3.74Å |
| 377 | L | 89.1 | Confident | 89.1 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 29% | 0.293 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147 | -178.4 | -54.3 | 173.1 | 0 | 0 | 0 | 109.8 | V317 F430 S431 K433 | V317-L377 HydrophobicContact CG1-CD2 4.01Å; L377-F430 CarbonylContact O-C 3.57Å; L377-F430 VanDerWaalsContact O-CA 3.23Å; L377-F430 WeakPolarHBondContact O-CA 3.16Å; L377-F430 WeakPolarHBondContact O-CB 3.09Å; L377-S431 PolarHBondContact N-O 3.28Å; L377-S431 PolarHBondContact O-N 3.17Å; L377-K433 HydrophobicContact CD1-CB 4.26Å; L377-K433 HydrophobicContact CD1-CD 3.96Å |
| 378 | G | 88.1 | Confident | 89.3 | Confident | 54 Ų | 54 | 50 Ų | 50 | 56% | 0.557 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 102 | -155.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T380 | G378-T380 PolarHBondContact O-N 3.06Å |
| 379 | D | 84.7 | Confident | 89.5 | Confident | 85 Ų | 85 | 49 Ų | 49 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -82 | 95.9 | -168.3 | -63.6 | -17.4 | 0 | 0 | 0 | 112.2 | R428 R429 | D379-R428 HydrophobicContact CB-CB 4.46Å; D379-R428 IonicContact OD2-NH1 3.71Å; D379-R429 PolarHBondContact N-O 3.12Å; D379-R429 VanDerWaalsContact N-O 3.12Å |
| 380 | T | 85.1 | Confident | 89.8 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -123.1 | 1.3 | -174.6 | 62.8 | 0 | 0 | 0 | 0 | 116 | V376 G378 E382 L383 M385 F430 | V376-T380 HydrophobicContact CG1-CG2 3.58Å; G378-T380 PolarHBondContact O-N 3.06Å; T380-E382 PolarHBondContact O-N 2.92Å; T380-E382 VanDerWaalsContact O-N 3.11Å; T380-L383 HydrophobicContact CG2-CD1 4.24Å; T380-L383 PolarHBondContact O-N 3.46Å; T380-L383 VanDerWaalsContact O-N 3.07Å; T380-M385 HydrophobicContact CG2-SD 4.44Å; T380-F430 HydrophobicContact CG2-CB 4.05Å | ||
| 381 | E | 79.9 | Confident | 89.9 | Confident | 199 Ų | 199 | 49.5 Ų | 49.5 | 93% | 0.93 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.7 | -171.9 | -63.4 | -175.8 | 167.4 | 0 | 0 | 114.2 | ||
| 382 | E | 80.4 | Confident | 89.8 | Confident | 93 Ų | 93 | 49.3 Ų | 49.3 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 3.8 | -177.2 | -63.2 | 171.5 | 146.5 | 0 | 0 | 113.1 | T380 L424 R428 | T380-E382 PolarHBondContact O-N 2.92Å; T380-E382 VanDerWaalsContact O-N 3.11Å; E382-L424 HydrophobicContact CB-CD2 4.07Å; E382-L424 WeakPolarHBondContact OE2-CD2 3.43Å; E382-R428 IonicContact OE2-CZ 3.21Å; E382-R428 IonicContact OE2-NE 3.47Å; E382-R428 IonicContact OE2-NH2 3.28Å; E382-R428 PolarHBondContact OE2-NH2 3.22Å |
| 383 | L | 86.5 | Confident | 89.5 | Confident | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.7 | -176.2 | -59.4 | 174.8 | 0 | 0 | 0 | 111.4 | T380 M385 V418 L420 F430 L445 | T380-L383 HydrophobicContact CG2-CD1 4.24Å; T380-L383 PolarHBondContact O-N 3.46Å; T380-L383 VanDerWaalsContact O-N 3.07Å; L383-M385 HydrophobicContact CB-CG 4.21Å; L383-V418 HydrophobicContact CD2-CG1 4.14Å; L383-L420 HydrophobicContact CD2-CD2 3.49Å; L383-L420 VanDerWaalsContact CD2-CD2 3.49Å; L383-L420 HydrophobicContact CD2-CG 4.37Å; L383-F430 HydrophobicContact CD1-CD1 3.84Å; L383-F430 HydrophobicContact CD1-CE1 3.96Å; L383-F430 HydrophobicContact CD1-CG 4.49Å; L383-L445 HydrophobicContact CD2-CD1 3.75Å; L383-L445 HydrophobicContact CD2-CD2 4.08Å |
| 384 | Q | 90.3 | Very high | 89.1 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 115.5 | 166.2 | -63.2 | -177.2 | 17.1 | 0 | 0 | 108.7 | V418 A419 S421 | Q384-V418 WeakPolarHBondContact O-CA 3.26Å; Q384-A419 HydrophobicContact CB-CB 4.25Å; Q384-A419 PolarHBondContact N-O 2.97Å; Q384-A419 PolarHBondContact O-N 3.23Å; Q384-S421 PolarHBondContact NE2-OG 2.86Å |
| 385 | M | 91.2 | Very high | 88.9 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.7 | -178.3 | -56.8 | -177.8 | 95.3 | 0 | 0 | 110.9 | V376 T380 L383 F387 V416 S417 V418 F430 L432 | V376-M385 HydrophobicContact CG1-CE 4.26Å; V376-M385 HydrophobicContact CG1-SD 3.89Å; V376-M385 HydrophobicContact CG2-SD 4.48Å; T380-M385 HydrophobicContact CG2-SD 4.44Å; L383-M385 HydrophobicContact CB-CG 4.21Å; M385-F387 HydrophobicContact CB-CE2 3.96Å; M385-F387 HydrophobicContact CB-CZ 4.16Å; M385-V416 HydrophobicContact CE-CG1 4.17Å; M385-S417 CarbonylContact C-O 3.56Å; M385-S417 VanDerWaalsContact CA-O 3.3Å; M385-S417 WeakPolarHBondContact CA-O 3.13Å; M385-V418 HydrophobicContact CE-CG2 3.68Å; M385-V418 HydrophobicContact CG-CG2 4.34Å; M385-F430 HydrophobicContact CE-CD2 4.08Å; M385-F430 HydrophobicContact CE-CE2 3.48Å; M385-F430 VanDerWaalsContact CE-CE2 3.48Å; M385-F430 HydrophobicContact CE-CZ 3.88Å; M385-L432 HydrophobicContact CE-CD2 4.33Å |
| 386 | S | 93.1 | Very high | 88.8 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.6 | 169.7 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | S417 | S386-S417 PolarHBondContact N-O 2.94Å; S386-S417 PolarHBondContact O-N 3.04Å; S386-S417 WeakPolarHBondContact OG-CB 3.15Å |
| 387 | F | 94.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 11% | 0.114 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134 | -171.8 | -60.7 | -91.2 | 0 | 0 | 0 | 109.7 | L374 V376 M385 N399 L400 K401 V416 L432 | L374-F387 HydrophobicContact CD2-CD1 4.44Å; L374-F387 HydrophobicContact CD2-CE1 4.23Å; V376-F387 HydrophobicContact CG2-CE1 4.33Å; V376-F387 HydrophobicContact CG2-CE2 4.43Å; V376-F387 HydrophobicContact CG2-CZ 3.62Å; M385-F387 HydrophobicContact CB-CE2 3.96Å; M385-F387 HydrophobicContact CB-CZ 4.16Å; F387-N399 VanDerWaalsContact O-CA 3.25Å; F387-N399 WeakPolarHBondContact O-CA 3.28Å; F387-N399 PolarHBondContact O-N 3.29Å; F387-L400 PolarHBondContact O-N 3.5Å; F387-K401 HydrophobicContact CB-CB 4.09Å; F387-K401 HydrophobicContact CD1-CB 4.33Å; F387-K401 HydrophobicContact CD2-CB 4.49Å; F387-K401 HydrophobicContact CG-CB 4.05Å; F387-V416 HydrophobicContact CD1-CG1 4.22Å; F387-V416 HydrophobicContact CD1-CG2 3.91Å; F387-V416 HydrophobicContact CE1-CB 4.43Å; F387-V416 HydrophobicContact CE1-CG1 3.75Å; F387-V416 HydrophobicContact CE1-CG2 3.94Å; F387-V416 HydrophobicContact CZ-CG1 4.32Å; F387-L432 HydrophobicContact CE1-CD2 4.34Å |
| 388 | T | 93.8 | Very high | 88.7 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.8 | 166.7 | -58.4 | 0 | 0 | 0 | 0 | 108.5 | A396 F397 N415 | T388-A396 HydrophobicContact CG2-CB 4.3Å; T388-F397 WeakPolarHBondContact CA-O 3.36Å; T388-N415 PolarHBondContact N-O 3.47Å; T388-N415 PolarHBondContact O-N 3.33Å |
| 389 | T | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.9 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | A396 F397 L400 K401 R402 C403 V412 F414 | T389-A396 CarbonylContact O-C 3.59Å; T389-A396 WeakPolarHBondContact O-CA 3.35Å; T389-F397 PolarHBondContact N-O 2.94Å; T389-F397 PolarHBondContact O-N 2.88Å; T389-L400 PolarHBondContact N-O 3.45Å; T389-L400 PolarHBondContact OG1-O 3.43Å; T389-K401 WeakPolarHBondContact OG1-CA 3.37Å; T389-R402 PolarHBondContact OG1-N 2.88Å; T389-C403 HydrophobicContact CG2-CB 3.77Å; T389-V412 HydrophobicContact CG2-CG1 3.87Å; T389-F414 HydrophobicContact CG2-CD1 4.02Å; T389-F414 HydrophobicContact CG2-CE1 3.61Å; T389-F414 HydrophobicContact CG2-CZ 4.3Å; T389-F414 VanDerWaalsContact OG1-CD1 3.24Å; T389-F414 WeakPolarHBondContact OG1-CD1 3.43Å; T389-F414 WeakPolarHBondContact OG1-CE1 3.44Å |
| 390 | I | 95.1 | Very high | 88.8 | Confident | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.226 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 104.6 | 174.3 | -54.2 | 168.8 | 0 | 0 | 0 | 107.3 | A396 V413 | I390-A396 HydrophobicContact CG1-CB 4.22Å; I390-V413 HydrophobicContact CB-CB 4.27Å; I390-V413 PolarHBondContact N-O 3.11Å; I390-V413 PolarHBondContact O-N 3.18Å |
| 391 | C | 92.6 | Very high | 89.1 | Confident | 13 Ų | 13 | 71.4 Ų | 71.4 | 9% | 0.088 | 40% | 0.397 | C | S | . | . | trans | -74.8 | 163.5 | 177.7 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | N393 G394 T395 F397 C403 | C391-N393 PolarHBondContact O-N 2.69Å; C391-G394 PolarHBondContact O-N 2.81Å; C391-T395 PolarHBondContact N-O 3.14Å; C391-F397 HydrophobicContact CB-CE2 4.35Å; C391-C403 VanDerWaalsContact CA-SG 3.53Å; C391-C403 HydrophobicContact CB-CB 4.38Å; C391-C403 WeakPolarHBondContact CB-SG 3.27Å; C391-C403 WeakPolarHBondContact SG-CB 3.24Å; C391-C403 CovalentContact SG-SG 2.03Å; C391-C403 PolarHBondContact SG-SG 3.12Å | ||
| 392 | P | 89.1 | Confident | 89.7 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25.5 | -178.4 | -26.9 | 35.6 | 0 | 0 | 0 | 114.6 | G394 E410 V412 | P392-G394 PolarHBondContact O-N 2.76Å; P392-E410 HydrophobicContact CB-CB 4.14Å; P392-E410 HydrophobicContact CB-CG 4.39Å; P392-E410 HydrophobicContact CG-CB 3.73Å; P392-E410 HydrophobicContact CG-CG 4.42Å; P392-V412 HydrophobicContact CG-CG2 4.48Å |
| 393 | N | 85.6 | Confident | 90.2 | Very high | 142 Ų | 142 | 62.3 Ų | 62.3 | 76% | 0.759 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -2.9 | 176 | -61.6 | -16 | 0 | 0 | 0 | 113.9 | C391 T395 | C391-N393 PolarHBondContact O-N 2.69Å; N393-T395 HydrophobicContact CB-CG2 4.45Å; N393-T395 PolarHBondContact O-N 3.2Å |
| 394 | G | 82.9 | Confident | 90.5 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 78.7 | 0.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C391 P392 | C391-G394 PolarHBondContact O-N 2.81Å; P392-G394 PolarHBondContact O-N 2.76Å |
| 395 | T | 87.4 | Confident | 90.4 | Very high | 64 Ų | 64 | 65.2 Ų | 65.2 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | trans | -75.5 | 125 | 176.5 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | C391 N393 F397 | C391-T395 PolarHBondContact N-O 3.14Å; N393-T395 HydrophobicContact CB-CG2 4.45Å; N393-T395 PolarHBondContact O-N 3.2Å; T395-F397 VanDerWaalsContact OG1-CE2 3.28Å; T395-F397 WeakPolarHBondContact OG1-CE2 3.23Å | ||
| 396 | A | 89.4 | Confident | 90.3 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 50% | 0.504 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T388 T389 I390 | T388-A396 HydrophobicContact CG2-CB 4.3Å; T389-A396 CarbonylContact O-C 3.59Å; T389-A396 WeakPolarHBondContact O-CA 3.35Å; I390-A396 HydrophobicContact CG1-CB 4.22Å |
| 397 | F | 89.1 | Confident | 90.1 | Very high | 88 Ų | 88 | 67.7 Ų | 67.7 | 39% | 0.386 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 107.7 | 178.2 | -62.4 | -77.9 | 0 | 0 | 0 | 109.5 | T388 T389 C391 T395 L400 | T388-F397 WeakPolarHBondContact CA-O 3.36Å; T389-F397 PolarHBondContact N-O 2.94Å; T389-F397 PolarHBondContact O-N 2.88Å; C391-F397 HydrophobicContact CB-CE2 4.35Å; T395-F397 VanDerWaalsContact OG1-CE2 3.28Å; T395-F397 WeakPolarHBondContact OG1-CE2 3.23Å; F397-L400 HydrophobicContact CB-CB 3.84Å; F397-L400 HydrophobicContact CB-CD2 3.6Å; F397-L400 HydrophobicContact CB-CG 4.37Å; F397-L400 HydrophobicContact CD2-CD2 4.33Å; F397-L400 HydrophobicContact CG-CD2 3.92Å |
| 398 | P | 90.1 | Very high | 89.5 | Confident | 95 Ų | 95 | 70 Ų | 70 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 148.5 | 176.8 | 30.3 | -33.8 | 0 | 0 | 0 | 110.9 | L400 | P398-L400 PolarHBondContact O-N 2.88Å |
| 399 | N | 87.4 | Confident | 88.9 | Confident | 142 Ų | 142 | 69.8 Ų | 69.8 | 76% | 0.759 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 25.7 | -178.5 | -57.4 | -39.5 | 0 | 0 | 0 | 114.3 | F387 | F387-N399 VanDerWaalsContact O-CA 3.25Å; F387-N399 WeakPolarHBondContact O-CA 3.28Å; F387-N399 PolarHBondContact O-N 3.29Å |
| 400 | L | 87.1 | Confident | 88.7 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 35% | 0.346 | 42% | 0.415 | S | S | . | . | trans | -120.2 | 136.8 | 176.3 | -167 | 66.1 | 0 | 0 | 0 | 108.2 | F387 T389 F397 P398 R402 | F387-L400 PolarHBondContact O-N 3.5Å; T389-L400 PolarHBondContact N-O 3.45Å; T389-L400 PolarHBondContact OG1-O 3.43Å; F397-L400 HydrophobicContact CB-CB 3.84Å; F397-L400 HydrophobicContact CB-CD2 3.6Å; F397-L400 HydrophobicContact CB-CG 4.37Å; F397-L400 HydrophobicContact CD2-CD2 4.33Å; F397-L400 HydrophobicContact CG-CD2 3.92Å; P398-L400 PolarHBondContact O-N 2.88Å; L400-R402 WeakPolarHBondContact CD2-O 3.3Å; L400-R402 WeakPolarHBondContact CG-O 3.5Å | ||
| 401 | K | 91.2 | Very high | 88.6 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | trans | -116.1 | 23.4 | 177.6 | 64.5 | 178.6 | -166.8 | 150.1 | 0 | 112.3 | E373 L374 F387 T389 F414 | E373-K401 WeakPolarHBondContact CA-O 3.19Å; E373-K401 WeakPolarHBondContact OE1-CE 3.21Å; E373-K401 IonicContact OE1-NZ 3.2Å; L374-K401 PolarHBondContact N-O 3.18Å; L374-K401 WeakPolarHBondContact O-CD 3.42Å; L374-K401 PolarHBondContact O-NZ 2.93Å; F387-K401 HydrophobicContact CB-CB 4.09Å; F387-K401 HydrophobicContact CD1-CB 4.33Å; F387-K401 HydrophobicContact CD2-CB 4.49Å; F387-K401 HydrophobicContact CG-CB 4.05Å; T389-K401 WeakPolarHBondContact OG1-CA 3.37Å; K401-F414 WeakPolarHBondContact O-CE1 3.47Å | ||
| 402 | R | 92.4 | Very high | 88.7 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143 | -172 | 165.2 | 163.7 | 39.6 | -173.5 | -15.5 | 111.3 | E371 I372 E373 T389 L400 | E371-R402 HydrophobicContact CG-CG 4.11Å; E371-R402 WeakPolarHBondContact OE1-CD 3.46Å; E371-R402 IonicContact OE1-CZ 3.16Å; E371-R402 IonicContact OE1-NE 3.64Å; E371-R402 IonicContact OE1-NH1 2.98Å; E371-R402 PolarHBondContact OE1-NH1 3.08Å; I372-R402 CarbonylContact O-C 3.53Å; I372-R402 VanDerWaalsContact O-CA 3.32Å; I372-R402 WeakPolarHBondContact O-CA 3.37Å; E373-R402 HydrophobicContact CB-CB 4.12Å; E373-R402 HydrophobicContact CB-CG 4.39Å; E373-R402 HydrophobicContact CG-CB 4.23Å; E373-R402 IonicContact OE2-CZ 3.81Å; E373-R402 IonicContact OE2-NE 3.01Å; E373-R402 IonicContact OE2-NH1 2.68Å; E373-R402 IonicContact OE2-NH2 2.68Å; T389-R402 PolarHBondContact OG1-N 2.88Å; L400-R402 WeakPolarHBondContact CD2-O 3.3Å; L400-R402 WeakPolarHBondContact CG-O 3.5Å |
| 403 | C | 92.5 | Very high | 89 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.1 | 169.8 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | E371 I372 T389 C391 I406 V412 | E371-C403 CarbonylContact C-O 3.33Å; E371-C403 WeakPolarHBondContact CA-O 3.36Å; I372-C403 PolarHBondContact N-O 2.84Å; I372-C403 PolarHBondContact O-N 2.85Å; T389-C403 HydrophobicContact CG2-CB 3.77Å; C391-C403 VanDerWaalsContact CA-SG 3.53Å; C391-C403 HydrophobicContact CB-CB 4.38Å; C391-C403 WeakPolarHBondContact CB-SG 3.27Å; C391-C403 WeakPolarHBondContact SG-CB 3.24Å; C391-C403 CovalentContact SG-SG 2.03Å; C391-C403 PolarHBondContact SG-SG 3.12Å; C403-I406 HydrophobicContact CB-CD1 3.9Å; C403-I406 HydrophobicContact CB-CG1 4.44Å; C403-I406 WeakPolarHBondContact O-CD1 3.46Å; C403-V412 HydrophobicContact CB-CG1 3.83Å; C403-V412 HydrophobicContact CB-CG2 4.02Å |
| 404 | S | 91.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 38% | 0.378 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 168.2 | 179.8 | -46.8 | 0 | 0 | 0 | 0 | 110.7 | S370 E371 | S370-S404 CarbonylContact O-C 3.57Å; S370-S404 WeakPolarHBondContact O-CA 3.47Å; E371-S404 PolarHBondContact OE2-OG 3.37Å |
| 405 | N | 88.6 | Confident | 90.2 | Very high | 149 Ų | 149 | 63.4 Ų | 63.4 | 80% | 0.797 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 64.5 | 34.4 | -174.7 | -54.8 | -68 | 0 | 0 | 0 | 114.7 | S370 | S370-N405 PolarHBondContact O-N 3.42Š|
| 406 | I | 90.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 141.3 | -179.9 | -57.9 | 158.5 | 0 | 0 | 0 | 109.8 | S370 I372 C403 E410 V412 | S370-I406 WeakPolarHBondContact CA-O 3.43Å; S370-I406 PolarHBondContact O-N 3.45Å; I372-I406 HydrophobicContact CB-CD1 3.7Å; I372-I406 HydrophobicContact CD1-CD1 3.88Å; I372-I406 HydrophobicContact CD1-CG2 4.46Å; I372-I406 HydrophobicContact CG1-CD1 3.6Å; C403-I406 HydrophobicContact CB-CD1 3.9Å; C403-I406 HydrophobicContact CB-CG1 4.44Å; C403-I406 WeakPolarHBondContact O-CD1 3.46Å; I406-E410 HydrophobicContact CG2-CB 4Å; I406-V412 HydrophobicContact CD1-CG2 3.52Å; I406-V412 HydrophobicContact CG1-CG2 4.05Å |
| 407 | K | 87.6 | Confident | 90.9 | Very high | 142 Ų | 142 | 58.4 Ų | 58.4 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -96.5 | 148.4 | 170.1 | -62.8 | 174.2 | -174.7 | 166.7 | 0 | 110.7 | G409 E410 | K407-G409 PolarHBondContact O-N 2.76Å; K407-E410 HydrophobicContact CB-CG 4.16Å; K407-E410 PolarHBondContact N-OE2 2.89Å; K407-E410 WeakPolarHBondContact O-CB 3.21Å; K407-E410 PolarHBondContact O-N 2.81Å |
| 408 | P | 81.3 | Confident | 91.1 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 133.5 | 173.2 | -24.3 | 33.3 | 0 | 0 | 0 | 111.4 | ||
| 409 | G | 82.7 | Confident | 91.2 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -5.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q122 H123 K407 | Q122-G409 PolarHBondContact NE2-O 2.95Å; H123-G409 PolarHBondContact O-N 3.4Å; K407-G409 PolarHBondContact O-N 2.76Å |
| 410 | E | 89.9 | Confident | 91.3 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | trans | -81.5 | 147.1 | 168.9 | -68 | 177.5 | 163.7 | 0 | 0 | 111.2 | Q122 P392 I406 K407 | Q122-E410 WeakPolarHBondContact CG-O 3.34Å; P392-E410 HydrophobicContact CB-CB 4.14Å; P392-E410 HydrophobicContact CB-CG 4.39Å; P392-E410 HydrophobicContact CG-CB 3.73Å; P392-E410 HydrophobicContact CG-CG 4.42Å; I406-E410 HydrophobicContact CG2-CB 4Å; K407-E410 HydrophobicContact CB-CG 4.16Å; K407-E410 PolarHBondContact N-OE2 2.89Å; K407-E410 WeakPolarHBondContact O-CB 3.21Å; K407-E410 PolarHBondContact O-N 2.81Å | ||
| 411 | T | 91.7 | Very high | 91 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.7 | -178.9 | -51.7 | 0 | 0 | 0 | 0 | 110.5 | L88 K120 V121 Q122 | L88-T411 HydrophobicContact CD1-CG2 3.83Å; K120-T411 HydrophobicContact CB-CG2 4.14Å; V121-T411 WeakPolarHBondContact O-CA 3.41Å; Q122-T411 PolarHBondContact NE2-OG1 2.9Å |
| 412 | V | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 139.4 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | K120 V121 I372 T389 P392 C403 I406 F414 | K120-V412 WeakPolarHBondContact CA-O 3.1Å; V121-V412 PolarHBondContact N-O 3.01Å; V121-V412 PolarHBondContact O-N 2.62Å; I372-V412 HydrophobicContact CB-CG2 4.35Å; I372-V412 HydrophobicContact CD1-CB 4.31Å; I372-V412 HydrophobicContact CD1-CG2 3.81Å; T389-V412 HydrophobicContact CG2-CG1 3.87Å; P392-V412 HydrophobicContact CG-CG2 4.48Å; C403-V412 HydrophobicContact CB-CG1 3.83Å; C403-V412 HydrophobicContact CB-CG2 4.02Å; I406-V412 HydrophobicContact CD1-CG2 3.52Å; I406-V412 HydrophobicContact CG1-CG2 4.05Å; V412-F414 HydrophobicContact CB-CE2 4.23Å; V412-F414 HydrophobicContact CG1-CD2 4.28Å; V412-F414 HydrophobicContact CG1-CE1 4.18Å; V412-F414 HydrophobicContact CG1-CE2 3.62Å; V412-F414 HydrophobicContact CG1-CZ 3.57Å |
| 413 | V | 96.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.1 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | Q118 V119 K120 I390 | Q118-V413 HydrophobicContact CB-CG1 4.27Å; V119-V413 CarbonylContact O-C 3.3Å; V119-V413 WeakPolarHBondContact O-CA 3.43Å; K120-V413 HydrophobicContact CG-CG1 4.37Å; K120-V413 HydrophobicContact CG-CG2 4.16Å; I390-V413 HydrophobicContact CB-CB 4.27Å; I390-V413 PolarHBondContact N-O 3.11Å; I390-V413 PolarHBondContact O-N 3.18Å |
| 414 | F | 97.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.9 | 173.8 | -59.1 | -85.9 | 0 | 0 | 0 | 109 | Q118 V119 V121 I372 L374 T389 K401 V412 V416 | Q118-F414 CarbonylContact C-O 3.56Å; Q118-F414 WeakPolarHBondContact CA-O 3.05Å; V119-F414 HydrophobicContact CB-CB 4.35Å; V119-F414 PolarHBondContact N-O 3.27Å; V119-F414 PolarHBondContact O-N 3.23Å; V121-F414 HydrophobicContact CB-CE2 4.35Å; V121-F414 HydrophobicContact CG2-CD2 4.12Å; V121-F414 HydrophobicContact CG2-CE2 3.89Å; I372-F414 HydrophobicContact CG2-CE2 3.86Å; I372-F414 HydrophobicContact CG2-CZ 3.86Å; L374-F414 HydrophobicContact CB-CE1 4.43Å; L374-F414 HydrophobicContact CB-CZ 4.43Å; L374-F414 HydrophobicContact CD2-CB 4.32Å; L374-F414 HydrophobicContact CD2-CD2 4.43Å; L374-F414 HydrophobicContact CD2-CG 4.22Å; T389-F414 HydrophobicContact CG2-CD1 4.02Å; T389-F414 HydrophobicContact CG2-CE1 3.61Å; T389-F414 HydrophobicContact CG2-CZ 4.3Å; T389-F414 VanDerWaalsContact OG1-CD1 3.24Å; T389-F414 WeakPolarHBondContact OG1-CD1 3.43Å; T389-F414 WeakPolarHBondContact OG1-CE1 3.44Å; K401-F414 WeakPolarHBondContact O-CE1 3.47Å; V412-F414 HydrophobicContact CB-CE2 4.23Å; V412-F414 HydrophobicContact CG1-CD2 4.28Å; V412-F414 HydrophobicContact CG1-CE1 4.18Å; V412-F414 HydrophobicContact CG1-CE2 3.62Å; V412-F414 HydrophobicContact CG1-CZ 3.57Å; F414-V416 HydrophobicContact CB-CG2 4.29Å |
| 415 | N | 96.4 | Very high | 89.8 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.2 | 164.6 | -65.3 | -17.5 | 0 | 0 | 0 | 107.4 | T116 Q118 T388 | T116-N415 HydrophobicContact CG2-CB 4.09Å; Q118-N415 WeakPolarHBondContact CG-OD1 3.06Å; Q118-N415 PolarHBondContact NE2-OD1 3.09Å; T388-N415 PolarHBondContact N-O 3.47Å; T388-N415 PolarHBondContact O-N 3.33Å |
| 416 | V | 96.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.4 | -179 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | T116 F117 V119 L374 M385 F387 F414 V418 L432 | T116-V416 VanDerWaalsContact CA-O 3.3Å; T116-V416 WeakPolarHBondContact CA-O 3.36Å; F117-V416 HydrophobicContact CD2-CB 4.35Å; F117-V416 HydrophobicContact CE1-CB 4.31Å; F117-V416 HydrophobicContact CE1-CG1 4.28Å; F117-V416 HydrophobicContact CE2-CB 3.89Å; F117-V416 HydrophobicContact CE2-CG1 4.29Å; F117-V416 HydrophobicContact CE2-CG2 4.35Å; F117-V416 HydrophobicContact CZ-CB 3.88Å; F117-V416 HydrophobicContact CZ-CG1 3.83Å; F117-V416 PolarHBondContact N-O 3.4Å; F117-V416 PolarHBondContact O-N 2.96Å; V119-V416 HydrophobicContact CG2-CG2 3.94Å; L374-V416 HydrophobicContact CD2-CG2 4.39Å; M385-V416 HydrophobicContact CE-CG1 4.17Å; F387-V416 HydrophobicContact CD1-CG1 4.22Å; F387-V416 HydrophobicContact CD1-CG2 3.91Å; F387-V416 HydrophobicContact CE1-CB 4.43Å; F387-V416 HydrophobicContact CE1-CG1 3.75Å; F387-V416 HydrophobicContact CE1-CG2 3.94Å; F387-V416 HydrophobicContact CZ-CG1 4.32Å; F414-V416 HydrophobicContact CB-CG2 4.29Å; V416-V418 HydrophobicContact CG1-CG2 4.08Å; V416-L432 HydrophobicContact CB-CD1 4.45Å; V416-L432 HydrophobicContact CG1-CD1 4.18Å; V416-L432 HydrophobicContact CG2-CD1 4.01Å |
| 417 | S | 95 | Very high | 89.7 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.1 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | E115 T116 M385 S386 | E115-S417 CarbonylContact O-C 3.6Å; E115-S417 VanDerWaalsContact O-CA 3.29Å; E115-S417 WeakPolarHBondContact O-CA 3.36Å; T116-S417 WeakPolarHBondContact CG2-OG 3.49Å; T116-S417 PolarHBondContact OG1-OG 2.78Å; M385-S417 CarbonylContact C-O 3.56Å; M385-S417 VanDerWaalsContact CA-O 3.3Å; M385-S417 WeakPolarHBondContact CA-O 3.13Å; S386-S417 PolarHBondContact N-O 2.94Å; S386-S417 PolarHBondContact O-N 3.04Å; S386-S417 WeakPolarHBondContact OG-CB 3.15Å |
| 418 | V | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.2 | -177.9 | -175 | 0 | 0 | 0 | 0 | 109.1 | L109 E115 F117 L383 Q384 M385 V416 F430 L445 | L109-V418 HydrophobicContact CD1-CB 4.31Å; L109-V418 HydrophobicContact CD1-CG1 3.94Å; E115-V418 PolarHBondContact N-O 3.39Å; E115-V418 PolarHBondContact O-N 2.93Å; F117-V418 HydrophobicContact CE1-CG2 3.73Å; F117-V418 HydrophobicContact CZ-CG2 4.23Å; L383-V418 HydrophobicContact CD2-CG1 4.14Å; Q384-V418 WeakPolarHBondContact O-CA 3.26Å; M385-V418 HydrophobicContact CE-CG2 3.68Å; M385-V418 HydrophobicContact CG-CG2 4.34Å; V416-V418 HydrophobicContact CG1-CG2 4.08Å; V418-F430 HydrophobicContact CG2-CZ 4.42Å; V418-L445 HydrophobicContact CG1-CD1 4.02Å |
| 419 | A | 91.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S113 V114 Q384 | S113-A419 WeakPolarHBondContact O-CA 3.45Å; S113-A419 WeakPolarHBondContact O-CB 3.3Å; V114-A419 HydrophobicContact CB-CB 4.37Å; V114-A419 HydrophobicContact CG1-CB 4.41Å; V114-A419 HydrophobicContact CG2-CB 3.88Å; Q384-A419 HydrophobicContact CB-CB 4.25Å; Q384-A419 PolarHBondContact N-O 2.97Å; Q384-A419 PolarHBondContact O-N 3.23Å |
| 420 | L | 88.6 | Confident | 91 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.8 | 176.1 | -76 | 173.3 | 0 | 0 | 0 | 110.4 | L109 G112 L383 L424 L445 | L109-L420 HydrophobicContact CB-CD1 3.66Å; L109-L420 HydrophobicContact CB-CG 4.24Å; L109-L420 HydrophobicContact CD1-CG 4.31Å; G112-L420 PolarHBondContact N-O 2.92Å; L383-L420 HydrophobicContact CD2-CD2 3.49Å; L383-L420 VanDerWaalsContact CD2-CD2 3.49Å; L383-L420 HydrophobicContact CD2-CG 4.37Å; L420-L424 HydrophobicContact CD1-CD1 4.16Å; L420-L424 HydrophobicContact CD1-CG 4.48Å; L420-L424 HydrophobicContact CD2-CD1 3.8Å; L420-L424 HydrophobicContact CD2-CD2 4.03Å; L420-L424 HydrophobicContact CD2-CG 3.99Å; L420-L445 HydrophobicContact CD1-CD2 4.19Å; L420-L445 HydrophobicContact CD2-CD2 4.16Å |
| 421 | S | 80.9 | Confident | 91.2 | Very high | 86 Ų | 86 | 39.7 Ų | 39.7 | 60% | 0.601 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -77.9 | -26.7 | 173.2 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | Q384 | Q384-S421 PolarHBondContact NE2-OG 2.86Š|
| 422 | G | 84.9 | Confident | 91.4 | Very high | 34 Ų | 34 | 37.2 Ų | 37.2 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -159.4 | -176.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 423 | C | 87.1 | Confident | 91.3 | Very high | 46 Ų | 46 | 38.2 Ų | 38.2 | 31% | 0.311 | 24% | 0.236 | S | C | . | . | trans | -77.9 | 140.4 | 179.3 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | Q34 C449 | Q34-C423 VanDerWaalsContact CD-SG 3.57Å; Q34-C423 VanDerWaalsContact CG-SG 3.55Å; C423-C449 WeakPolarHBondContact CA-SG 3.37Å; C423-C449 HydrophobicContact CB-CB 3.82Å; C423-C449 WeakPolarHBondContact CB-SG 3.09Å; C423-C449 WeakPolarHBondContact SG-CB 3.45Å; C423-C449 CovalentContact SG-SG 2.01Å; C423-C449 PolarHBondContact SG-SG 3.29Å | ||
| 424 | L | 87 | Confident | 91.1 | Very high | 18 Ų | 18 | 37 Ų | 37 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | trans | -93.4 | 143.5 | 178.4 | -58.7 | 169.9 | 0 | 0 | 0 | 109.8 | E382 L420 G426 R428 L445 S447 | E382-L424 HydrophobicContact CB-CD2 4.07Å; E382-L424 WeakPolarHBondContact OE2-CD2 3.43Å; L420-L424 HydrophobicContact CD1-CD1 4.16Å; L420-L424 HydrophobicContact CD1-CG 4.48Å; L420-L424 HydrophobicContact CD2-CD1 3.8Å; L420-L424 HydrophobicContact CD2-CD2 4.03Å; L420-L424 HydrophobicContact CD2-CG 3.99Å; L424-G426 WeakPolarHBondContact CB-O 3.31Å; L424-G426 PolarHBondContact O-N 3.07Å; L424-R428 HydrophobicContact CD1-CG 3.77Å; L424-R428 HydrophobicContact CD2-CG 4.33Å; L424-L445 HydrophobicContact CD1-CD2 3.18Å; L424-S447 PolarHBondContact N-OG 3.46Å; L424-S447 PolarHBondContact O-OG 3.01Å | ||
| 425 | S | 84.1 | Confident | 90.7 | Very high | 134 Ų | 134 | 38.2 Ų | 38.2 | 94% | 0.937 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -69.7 | -12.3 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 426 | G | 85.9 | Confident | 90.1 | Very high | 40 Ų | 40 | 36.6 Ų | 36.6 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -173.1 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L424 | L424-G426 WeakPolarHBondContact CB-O 3.31Å; L424-G426 PolarHBondContact O-N 3.07Å |
| 427 | A | 89.6 | Confident | 89.5 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 44% | 0.438 | 23% | 0.229 | S | C | . | . | trans | -65.6 | 137.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L445 E446 | A427-L445 CarbonylContact C-O 3.52Å; A427-L445 WeakPolarHBondContact CA-O 3.27Å; A427-E446 HydrophobicContact CB-CG 3.98Å | ||
| 428 | R | 90.8 | Very high | 89 | Confident | 76 Ų | 76 | 38.2 Ų | 38.2 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 146.8 | 176.1 | -63.1 | -62.8 | -167.7 | 174.2 | 4.8 | 110.1 | D379 E382 L424 L445 | D379-R428 HydrophobicContact CB-CB 4.46Å; D379-R428 IonicContact OD2-NH1 3.71Å; E382-R428 IonicContact OE2-CZ 3.21Å; E382-R428 IonicContact OE2-NE 3.47Å; E382-R428 IonicContact OE2-NH2 3.28Å; E382-R428 PolarHBondContact OE2-NH2 3.22Å; L424-R428 HydrophobicContact CD1-CG 3.77Å; L424-R428 HydrophobicContact CD2-CG 4.33Å; R428-L445 HydrophobicContact CB-CD2 4.37Å; R428-L445 PolarHBondContact N-O 3.47Å; R428-L445 PolarHBondContact O-N 2.98Å |
| 429 | R | 94.4 | Very high | 88.7 | Confident | 167 Ų | 167 | 40.3 Ų | 40.3 | 63% | 0.63 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.7 | 176.9 | -66.9 | -178.6 | 177.6 | 177.6 | -0.2 | 109.3 | D379 V443 E444 | D379-R429 PolarHBondContact N-O 3.12Å; D379-R429 VanDerWaalsContact N-O 3.12Å; R429-V443 WeakPolarHBondContact CA-O 3.32Å; R429-E444 IonicContact CZ-OE1 3.58Å; R429-E444 IonicContact NE-OE1 2.9Å; R429-E444 PolarHBondContact NE-OE1 2.78Å; R429-E444 IonicContact NH2-OE1 3.75Å; R429-E444 PolarHBondContact NH2-OE1 2.93Å |
| 430 | F | 94.6 | Very high | 88.8 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 164.7 | 172.2 | 69.6 | -89.1 | 0 | 0 | 0 | 109.4 | L107 V376 L377 T380 L383 M385 V418 L432 V443 L445 | L107-F430 HydrophobicContact CD1-CZ 4.25Å; V376-F430 HydrophobicContact CG1-CD2 4.31Å; L377-F430 CarbonylContact O-C 3.57Å; L377-F430 VanDerWaalsContact O-CA 3.23Å; L377-F430 WeakPolarHBondContact O-CA 3.16Å; L377-F430 WeakPolarHBondContact O-CB 3.09Å; T380-F430 HydrophobicContact CG2-CB 4.05Å; L383-F430 HydrophobicContact CD1-CD1 3.84Å; L383-F430 HydrophobicContact CD1-CE1 3.96Å; L383-F430 HydrophobicContact CD1-CG 4.49Å; M385-F430 HydrophobicContact CE-CD2 4.08Å; M385-F430 HydrophobicContact CE-CE2 3.48Å; M385-F430 VanDerWaalsContact CE-CE2 3.48Å; M385-F430 HydrophobicContact CE-CZ 3.88Å; V418-F430 HydrophobicContact CG2-CZ 4.42Å; F430-L432 HydrophobicContact CE2-CD2 4.45Å; F430-L432 HydrophobicContact CE2-CG 4.27Å; F430-V443 HydrophobicContact CD1-CB 4.07Å; F430-V443 HydrophobicContact CD1-CG1 4.28Å; F430-V443 HydrophobicContact CD2-CB 4.07Å; F430-V443 HydrophobicContact CD2-CG2 4.17Å; F430-V443 HydrophobicContact CE1-CB 3.68Å; F430-V443 HydrophobicContact CE1-CG1 3.46Å; F430-V443 VanDerWaalsContact CE1-CG1 3.46Å; F430-V443 HydrophobicContact CE1-CG2 4.47Å; F430-V443 HydrophobicContact CE2-CB 3.68Å; F430-V443 HydrophobicContact CE2-CG1 4.07Å; F430-V443 HydrophobicContact CE2-CG2 3.59Å; F430-V443 HydrophobicContact CG-CB 4.26Å; F430-V443 HydrophobicContact CZ-CB 3.48Å; F430-V443 VanDerWaalsContact CZ-CB 3.48Å; F430-V443 HydrophobicContact CZ-CG1 3.35Å; F430-V443 HydrophobicContact CZ-CG2 3.79Å; F430-V443 PolarHBondContact N-O 2.86Å; F430-V443 VanDerWaalsContact N-O 3.11Å; F430-V443 PolarHBondContact O-N 3.32Å; F430-L445 HydrophobicContact CE1-CB 4.23Å; F430-L445 HydrophobicContact CE1-CD1 4.11Å |
| 431 | S | 94.6 | Very high | 89.1 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146.6 | 177.3 | 63 | 0 | 0 | 0 | 0 | 111.4 | V376 L377 L441 | V376-S431 WeakPolarHBondContact CA-O 3.49Å; L377-S431 PolarHBondContact N-O 3.28Å; L377-S431 PolarHBondContact O-N 3.17Å; S431-L441 CarbonylContact C-O 3.23Å; S431-L441 WeakPolarHBondContact CA-O 3.5Å; S431-L441 WeakPolarHBondContact CB-O 3.37Å |
| 432 | L | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.7 | 173.6 | -61.3 | 173 | 0 | 0 | 0 | 108.2 | F117 V119 L374 E375 V376 M385 F387 V416 F430 S440 L441 | F117-L432 HydrophobicContact CE2-CD1 3.75Å; F117-L432 HydrophobicContact CZ-CD1 3.97Å; V119-L432 HydrophobicContact CG2-CD1 3.92Å; L374-L432 HydrophobicContact CD1-CB 4.26Å; L374-L432 HydrophobicContact CD2-CB 4.18Å; L374-L432 HydrophobicContact CD2-CD1 4.44Å; L374-L432 HydrophobicContact CD2-CD2 4.29Å; L374-L432 HydrophobicContact CG-CB 4.33Å; E375-L432 WeakPolarHBondContact O-CA 3.32Å; V376-L432 HydrophobicContact CB-CD2 4.26Å; V376-L432 HydrophobicContact CG1-CD2 4.05Å; V376-L432 HydrophobicContact CG2-CD2 3.74Å; M385-L432 HydrophobicContact CE-CD2 4.33Å; F387-L432 HydrophobicContact CE1-CD2 4.34Å; V416-L432 HydrophobicContact CB-CD1 4.45Å; V416-L432 HydrophobicContact CG1-CD1 4.18Å; V416-L432 HydrophobicContact CG2-CD1 4.01Å; F430-L432 HydrophobicContact CE2-CD2 4.45Å; F430-L432 HydrophobicContact CE2-CG 4.27Å; L432-S440 WeakPolarHBondContact O-CA 3.39Å; L432-L441 HydrophobicContact CB-CB 4.3Å; L432-L441 HydrophobicContact CD1-CD2 4.18Å; L432-L441 PolarHBondContact N-O 2.82Å; L432-L441 PolarHBondContact O-N 3.33Å |
| 433 | K | 92.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.1 | -171 | -171.9 | 176.5 | -178.7 | 173.7 | 0 | 110.3 | E375 L377 L437 | E375-K433 PolarHBondContact N-O 3.05Å; E375-K433 PolarHBondContact O-N 3.39Å; L377-K433 HydrophobicContact CD1-CB 4.26Å; L377-K433 HydrophobicContact CD1-CD 3.96Å; K433-L437 WeakPolarHBondContact CE-O 3.41Å |
| 434 | P | 92.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.5 | 172.1 | -13.3 | 29.9 | 0 | 0 | 0 | 110.2 | I100 V121 E373 L374 G436 L437 D439 | I100-P434 HydrophobicContact CD1-CG 3.99Å; V121-P434 HydrophobicContact CB-CG 4.43Å; V121-P434 HydrophobicContact CG1-CB 3.91Å; V121-P434 HydrophobicContact CG1-CG 3.62Å; V121-P434 HydrophobicContact CG2-CG 3.84Å; E373-P434 CarbonylContact O-C 3.56Å; E373-P434 VanDerWaalsContact O-CA 3.29Å; E373-P434 WeakPolarHBondContact O-CA 3.25Å; L374-P434 HydrophobicContact CD1-CG 4.35Å; P434-G436 PolarHBondContact O-N 2.06Å; P434-L437 HydrophobicContact CB-CB 4.19Å; P434-L437 HydrophobicContact CB-CD1 3.96Å; P434-L437 HydrophobicContact CB-CG 4.27Å; P434-L437 HydrophobicContact CG-CB 4.43Å; P434-L437 HydrophobicContact CG-CD1 4.18Å; P434-L437 PolarHBondContact O-N 3.48Å; P434-L437 VanDerWaalsContact O-N 3.08Å; P434-D439 VanDerWaalsContact CD-O 3.29Å; P434-D439 WeakPolarHBondContact CD-O 3.31Å |
| 435 | V | 89.3 | Confident | 91.2 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 125.5 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | L322 E373 E375 L437 | L322-V435 HydrophobicContact CD2-CG1 3.7Å; E373-V435 HydrophobicContact CB-CG2 3.8Å; E373-V435 HydrophobicContact CG-CG2 3.97Å; E373-V435 PolarHBondContact O-N 3.46Å; E375-V435 HydrophobicContact CG-CG2 3.6Å; E375-V435 WeakPolarHBondContact OE1-CG2 3.38Å; V435-L437 VanDerWaalsContact C-N 3.28Å; V435-L437 PolarHBondContact O-N 2.93Å |
| 436 | G | 83.2 | Confident | 91.7 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -4.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N320 P434 | N320-G436 PolarHBondContact ND2-O 3.39Å; N320-G436 VanDerWaalsContact OD1-CA 3.26Å; N320-G436 WeakPolarHBondContact OD1-CA 3.49Å; N320-G436 PolarHBondContact OD1-N 3.34Å; P434-G436 PolarHBondContact O-N 2.06Å |
| 437 | L | 85.4 | Confident | 92 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | trans | -104.4 | 150.4 | 173.6 | -62.4 | -174.1 | 0 | 0 | 0 | 110.7 | Q99 V121 Y127 K433 P434 V435 | Q99-L437 HydrophobicContact CB-CD1 3.94Å; V121-L437 HydrophobicContact CG1-CD1 4.2Å; Y127-L437 HydrophobicContact CE1-CD2 4.15Å; K433-L437 WeakPolarHBondContact CE-O 3.41Å; P434-L437 HydrophobicContact CB-CB 4.19Å; P434-L437 HydrophobicContact CB-CD1 3.96Å; P434-L437 HydrophobicContact CB-CG 4.27Å; P434-L437 HydrophobicContact CG-CB 4.43Å; P434-L437 HydrophobicContact CG-CD1 4.18Å; P434-L437 PolarHBondContact O-N 3.48Å; P434-L437 VanDerWaalsContact O-N 3.08Å; V435-L437 VanDerWaalsContact C-N 3.28Å; V435-L437 PolarHBondContact O-N 2.93Å | ||
| 438 | Q | 84.4 | Confident | 92 | Very high | 49 Ų | 49 | 35.9 Ų | 35.9 | 23% | 0.229 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -90.7 | -32.5 | -177 | -72.1 | -83.4 | 21.5 | 0 | 0 | 112.5 | N256 N320 S440 | N256-Q438 WeakPolarHBondContact O-CG 3.48Å; N320-Q438 WeakPolarHBondContact ND2-CG 3.35Å; N320-Q438 PolarHBondContact ND2-NE2 2.96Å; Q438-S440 PolarHBondContact O-N 2.86Å |
| 439 | D | 87.6 | Confident | 91.8 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | trans | -59.7 | 135 | 173.4 | -65 | -11 | 0 | 0 | 0 | 110.9 | T98 Q99 I100 P434 | T98-D439 WeakPolarHBondContact CA-OD2 3.47Å; Q99-D439 PolarHBondContact N-OD2 3.33Å; I100-D439 HydrophobicContact CB-CB 4.38Å; I100-D439 HydrophobicContact CG2-CB 3.55Å; P434-D439 VanDerWaalsContact CD-O 3.29Å; P434-D439 WeakPolarHBondContact CD-O 3.31Å | ||
| 440 | S | 92.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 24% | 0.238 | 16% | 0.158 | C | C | . | . | trans | -135.6 | 163.9 | 176.5 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | L432 Q438 | L432-S440 WeakPolarHBondContact O-CA 3.39Å; Q438-S440 PolarHBondContact O-N 2.86Å | ||
| 441 | L | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.4 | 166.9 | 167.2 | 56.3 | 0 | 0 | 0 | 108.7 | I100 P102 Q103 M105 F117 V119 S431 L432 V443 | I100-L441 HydrophobicContact CD1-CB 4.14Å; P102-L441 HydrophobicContact CB-CD1 4.4Å; P102-L441 HydrophobicContact CG-CD1 3.97Å; P102-L441 HydrophobicContact CG-CD2 4.21Å; Q103-L441 WeakPolarHBondContact O-CA 3.38Å; M105-L441 HydrophobicContact CB-CD1 4.38Å; M105-L441 HydrophobicContact CG-CD1 3.86Å; M105-L441 HydrophobicContact SD-CD1 4Å; M105-L441 HydrophobicContact SD-CD2 3.83Å; M105-L441 HydrophobicContact SD-CG 4.23Å; F117-L441 HydrophobicContact CD2-CD2 4.41Å; F117-L441 HydrophobicContact CE2-CD2 3.95Å; V119-L441 HydrophobicContact CG1-CD2 4.31Å; V119-L441 HydrophobicContact CG2-CD2 3.52Å; S431-L441 CarbonylContact C-O 3.23Å; S431-L441 WeakPolarHBondContact CA-O 3.5Å; S431-L441 WeakPolarHBondContact CB-O 3.37Å; L432-L441 HydrophobicContact CB-CB 4.3Å; L432-L441 HydrophobicContact CD1-CD2 4.18Å; L432-L441 PolarHBondContact N-O 2.82Å; L432-L441 PolarHBondContact O-N 3.33Å; L441-V443 HydrophobicContact CD1-CG2 4.5Å; L441-V443 HydrophobicContact CG-CG2 4.01Å |
| 442 | E | 96.6 | Very high | 90.1 | Very high | 99 Ų | 99 | 33.4 Ų | 33.4 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.6 | 171.6 | -66.7 | -178.2 | 179 | 0 | 0 | 111 | Q103 K104 M105 | Q103-E442 PolarHBondContact O-N 2.84Å; K104-E442 CarbonylContact C-O 3.58Å; K104-E442 WeakPolarHBondContact CA-O 3.43Å; K104-E442 HydrophobicContact CG-CB 4.26Å; K104-E442 IonicContact NZ-OE2 3.39Å; K104-E442 PolarHBondContact NZ-OE2 3.14Å; M105-E442 PolarHBondContact N-O 3.41Å |
| 443 | V | 96.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121 | 179.1 | -171.7 | 0 | 0 | 0 | 0 | 110 | M105 L107 R429 F430 L441 | M105-V443 HydrophobicContact CG-CB 4.1Å; M105-V443 HydrophobicContact CG-CG1 3.9Å; M105-V443 HydrophobicContact CG-CG2 3.67Å; M105-V443 WeakPolarHBondContact O-CA 3.35Å; M105-V443 HydrophobicContact SD-CG1 4.43Å; M105-V443 HydrophobicContact SD-CG2 3.87Å; L107-V443 HydrophobicContact CB-CG1 4.38Å; L107-V443 HydrophobicContact CD1-CG1 3.49Å; L107-V443 VanDerWaalsContact CD1-CG1 3.49Å; L107-V443 HydrophobicContact CG-CG1 3.75Å; R429-V443 WeakPolarHBondContact CA-O 3.32Å; F430-V443 HydrophobicContact CD1-CB 4.07Å; F430-V443 HydrophobicContact CD1-CG1 4.28Å; F430-V443 HydrophobicContact CD2-CB 4.07Å; F430-V443 HydrophobicContact CD2-CG2 4.17Å; F430-V443 HydrophobicContact CE1-CB 3.68Å; F430-V443 HydrophobicContact CE1-CG1 3.46Å; F430-V443 VanDerWaalsContact CE1-CG1 3.46Å; F430-V443 HydrophobicContact CE1-CG2 4.47Å; F430-V443 HydrophobicContact CE2-CB 3.68Å; F430-V443 HydrophobicContact CE2-CG1 4.07Å; F430-V443 HydrophobicContact CE2-CG2 3.59Å; F430-V443 HydrophobicContact CG-CB 4.26Å; F430-V443 HydrophobicContact CZ-CB 3.48Å; F430-V443 VanDerWaalsContact CZ-CB 3.48Å; F430-V443 HydrophobicContact CZ-CG1 3.35Å; F430-V443 HydrophobicContact CZ-CG2 3.79Å; F430-V443 PolarHBondContact N-O 2.86Å; F430-V443 VanDerWaalsContact N-O 3.11Å; F430-V443 PolarHBondContact O-N 3.32Å; L441-V443 HydrophobicContact CD1-CG2 4.5Å; L441-V443 HydrophobicContact CG-CG2 4.01Å |
| 444 | E | 96.1 | Very high | 87.8 | Confident | 47 Ų | 47 | 39.1 Ų | 39.1 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.3 | 170.5 | -177.5 | 161.1 | -132.3 | 0 | 0 | 109.2 | M105 S106 L107 R429 | M105-E444 PolarHBondContact O-N 2.93Å; S106-E444 CarbonylContact C-O 3.58Å; S106-E444 WeakPolarHBondContact CA-O 3.16Å; L107-E444 PolarHBondContact N-O 3.11Å; R429-E444 IonicContact CZ-OE1 3.58Å; R429-E444 IonicContact NE-OE1 2.9Å; R429-E444 PolarHBondContact NE-OE1 2.78Å; R429-E444 IonicContact NH2-OE1 3.75Å; R429-E444 PolarHBondContact NH2-OE1 2.93Å |
| 445 | L | 94.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.6 | -172 | 179.7 | 147.1 | 0 | 0 | 0 | 111.3 | L107 L109 L383 V418 L420 L424 A427 R428 F430 | L107-L445 HydrophobicContact CB-CB 4.31Å; L107-L445 HydrophobicContact CB-CD1 4.27Å; L107-L445 HydrophobicContact CB-CG 4.3Å; L107-L445 HydrophobicContact CD1-CD1 4.19Å; L107-L445 CarbonylContact O-C 3.59Å; L107-L445 VanDerWaalsContact O-CA 3.28Å; L107-L445 WeakPolarHBondContact O-CA 3.34Å; L109-L445 HydrophobicContact CD1-CD1 3.68Å; L109-L445 HydrophobicContact CG-CD1 4.25Å; L383-L445 HydrophobicContact CD2-CD1 3.75Å; L383-L445 HydrophobicContact CD2-CD2 4.08Å; V418-L445 HydrophobicContact CG1-CD1 4.02Å; L420-L445 HydrophobicContact CD1-CD2 4.19Å; L420-L445 HydrophobicContact CD2-CD2 4.16Å; L424-L445 HydrophobicContact CD1-CD2 3.18Å; A427-L445 CarbonylContact C-O 3.52Å; A427-L445 WeakPolarHBondContact CA-O 3.27Å; R428-L445 HydrophobicContact CB-CD2 4.37Å; R428-L445 PolarHBondContact N-O 3.47Å; R428-L445 PolarHBondContact O-N 2.98Å; F430-L445 HydrophobicContact CE1-CB 4.23Å; F430-L445 HydrophobicContact CE1-CD1 4.11Å |
| 446 | E | 93.8 | Very high | 83.9 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.5 | 177.8 | -65.1 | -177.8 | 164.7 | 0 | 0 | 110.5 | L107 K108 L109 A427 | L107-E446 PolarHBondContact O-N 3.29Å; K108-E446 CarbonylContact C-O 3.54Å; K108-E446 WeakPolarHBondContact CA-O 3.47Å; K108-E446 HydrophobicContact CG-CB 4.49Å; L109-E446 PolarHBondContact N-O 2.61Å; A427-E446 HydrophobicContact CB-CG 3.98Å |
| 447 | S | 91.9 | Very high | 82.3 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130 | 177 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | L109 L424 C449 | L109-S447 CarbonylContact O-C 2.96Å; L109-S447 WeakPolarHBondContact O-CA 3.45Å; L424-S447 PolarHBondContact N-OG 3.46Å; L424-S447 PolarHBondContact O-OG 3.01Å; S447-C449 PolarHBondContact O-N 3.35Å |
| 448 | L | 90.5 | Very high | 80.6 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | trans | -89.8 | 85 | 177.4 | -62.5 | 176.8 | 0 | 0 | 0 | 110.6 | P76 V77 K108 L109 | P76-L448 HydrophobicContact CB-CB 4.24Å; P76-L448 HydrophobicContact CB-CD1 4.23Å; V77-L448 WeakPolarHBondContact O-CD1 3.44Å; K108-L448 HydrophobicContact CB-CD1 3.87Å; K108-L448 HydrophobicContact CB-CD2 4.02Å; K108-L448 HydrophobicContact CB-CG 3.92Å; K108-L448 HydrophobicContact CD-CD2 4.13Å; L109-L448 PolarHBondContact O-N 3.45Å | ||
| 449 | C | 85.3 | Confident | 78.9 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.081 | 34% | 0.341 | C | S | . | . | trans | -118 | -18.5 | -173.7 | -67.7 | 0 | 0 | 0 | 0 | 115.4 | P111 C423 S447 | P111-C449 VanDerWaalsContact CG-SG 3.53Å; C423-C449 WeakPolarHBondContact CA-SG 3.37Å; C423-C449 HydrophobicContact CB-CB 3.82Å; C423-C449 WeakPolarHBondContact CB-SG 3.09Å; C423-C449 WeakPolarHBondContact SG-CB 3.45Å; C423-C449 CovalentContact SG-SG 2.01Å; C423-C449 PolarHBondContact SG-SG 3.29Å; S447-C449 PolarHBondContact O-N 3.35Å | ||
| 450 | S | 84.8 | Confident | 77.2 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -108.8 | 144.7 | -177.6 | -65 | 0 | 0 | 0 | 0 | 111.1 | D30 | D30-S450 WeakPolarHBondContact OD1-CA 3.48Å; D30-S450 PolarHBondContact OD2-OG 2.89Å |
| 451 | C | 84.6 | Confident | 75.4 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | trans | -82.8 | 142.6 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | C29 D30 L33 Q74 C453 H454 | C29-C451 HydrophobicContact CB-CB 3.85Å; C29-C451 WeakPolarHBondContact CB-SG 3.34Å; C29-C451 WeakPolarHBondContact SG-CB 3.4Å; C29-C451 CovalentContact SG-SG 2.01Å; C29-C451 PolarHBondContact SG-SG 3.14Å; D30-C451 PolarHBondContact OD1-N 2.76Å; L33-C451 WeakPolarHBondContact CD1-SG 3.22Å; Q74-C451 HydrophobicContact CB-CB 4.46Å; Q74-C451 HydrophobicContact CG-CB 4.24Å; C451-C453 WeakPolarHBondContact CB-SG 3.32Å; C451-C453 PolarHBondContact O-N 3.47Å; C451-H454 PolarHBondContact O-CE1 3.34Å; C451-H454 PolarHBondContact O-ND1 3.29Å | ||
| 452 | D | 80.1 | Confident | 73.9 | Confident | 129 Ų | 129 | 75 Ų | 75 | 69% | 0.69 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -80.9 | 4.1 | -178.7 | -78.6 | -30.7 | 0 | 0 | 0 | 113.8 | H454 | D452-H454 PolarHBondContact O-N 3.24Š|
| 453 | C | 77.4 | Confident | 72.7 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -70.4 | 3.8 | -178.9 | 40.8 | 0 | 0 | 0 | 0 | 115 | T43 Q74 C451 R455 C472 | T43-C453 HydrophobicContact CG2-CB 3.98Å; Q74-C453 HydrophobicContact CG-CB 4.44Å; C451-C453 WeakPolarHBondContact CB-SG 3.32Å; C451-C453 PolarHBondContact O-N 3.47Å; C453-R455 PolarHBondContact O-N 3.23Å; C453-C472 HydrophobicContact CB-CB 3.91Å; C453-C472 WeakPolarHBondContact CB-SG 3.2Å; C453-C472 WeakPolarHBondContact SG-CB 3.42Å; C453-C472 CovalentContact SG-SG 2.01Å; C453-C472 PolarHBondContact SG-SG 3.04Å |
| 454 | H | 59.9 | Low | 71.2 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 55% | 0.546 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -65.8 | -10.5 | 173.4 | -69.7 | 93.4 | 0 | 0 | 0 | 114.5 | C451 D452 H471 | C451-H454 PolarHBondContact O-CE1 3.34Å; C451-H454 PolarHBondContact O-ND1 3.29Å; D452-H454 PolarHBondContact O-N 3.24Å; H454-H471 AromaticContact CD2-NE2 3.41Å; H454-H471 PolarHBondContact CD2-NE2 2.86Å; H454-H471 AromaticContact CE1-NE2 3.49Å; H454-H471 PolarHBondContact CE1-NE2 2.9Å; H454-H471 AromaticContact NE2-CD2 3.9Å; H454-H471 AromaticContact NE2-CE1 3.85Å; H454-H471 AromaticContact NE2-NE2 2.92Å; H454-H471 PolarHBondContact NE2-NE2 3.22Å |
| 455 | R | 50.3 | Low | 69.9 | Low | 217 Ų | 217 | 78 Ų | 78 | 82% | 0.819 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -94.3 | 1.6 | -168.6 | -79.1 | -176.8 | 174.3 | 162.7 | 2.3 | 116.9 | C453 | C453-R455 PolarHBondContact O-N 3.23Š|
| 456 | L | 50.8 | Low | 68.6 | Low | 130 Ų | 130 | 78.8 Ų | 78.8 | 68% | 0.681 | 42% | 0.422 | S | S | * | . | trans | -108.3 | 109.2 | 176.1 | -74.9 | 159.6 | 0 | 0 | 0 | 109.7 | S458 | L456-S458 PolarHBondContact O-N 3.02Š| ||
| 457 | P | 49.2 | Very low | 67.8 | Low | 131 Ų | 131 | 78.2 Ų | 78.2 | 85% | 0.851 | 42% | 0.42 | S | S | * | . | trans | -72.8 | 82.7 | 169.9 | 30.1 | -30.6 | 0 | 0 | 0 | 108 | ||||
| 458 | S | 49 | Very low | 67 | Low | 48 Ų | 48 | 77 Ų | 77 | 34% | 0.336 | 41% | 0.412 | S | S | . | . | trans | -73.5 | 129 | 168.4 | -61.5 | 0 | 0 | 0 | 0 | 108.2 | L456 N460 | L456-S458 PolarHBondContact O-N 3.02Å; S458-N460 PolarHBondContact O-N 3.09Å | ||
| 459 | A | 49.8 | Very low | 66.4 | Low | 60 Ų | 60 | 79 Ų | 79 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | trans | -52 | 133.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H461 Q462 | A459-H461 PolarHBondContact O-N 3.29Å; A459-Q462 PolarHBondContact O-N 2.73Å | ||
| 460 | N | 51 | Low | 66 | Low | 101 Ų | 101 | 81.2 Ų | 81.2 | 54% | 0.54 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 3.4 | 176.7 | -133 | 39.1 | 0 | 0 | 0 | 115.5 | S458 G466 | S458-N460 PolarHBondContact O-N 3.09Å; N460-G466 PolarHBondContact O-N 3.39Å |
| 461 | H | 55.1 | Low | 65.6 | Low | 156 Ų | 156 | 79.8 Ų | 79.8 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.3 | -176.6 | -69.1 | 74.5 | 0 | 0 | 0 | 113.4 | A459 | A459-H461 PolarHBondContact O-N 3.29Š|
| 462 | Q | 64.7 | Low | 65.3 | Low | 73 Ų | 73 | 80 Ų | 80 | 34% | 0.341 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -26.8 | -172.8 | -71.7 | 173 | -46.2 | 0 | 0 | 114.6 | E45 A459 | E45-Q462 PolarHBondContact OE1-NE2 3.48Å; A459-Q462 PolarHBondContact O-N 2.73Å |
| 463 | C | 70.7 | Confident | 65.1 | Low | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 85.3 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | E465 G466 Q467 C475 Q485 | C463-E465 PolarHBondContact O-N 3.35Å; C463-G466 PolarHBondContact O-N 2.97Å; C463-G466 VanDerWaalsContact O-N 3.08Å; C463-Q467 PolarHBondContact O-N 3.49Å; C463-C475 VanDerWaalsContact CA-SG 3.53Å; C463-C475 HydrophobicContact CB-CB 3.77Å; C463-C475 WeakPolarHBondContact CB-SG 3.47Å; C463-C475 VanDerWaalsContact SG-CA 3.55Å; C463-C475 WeakPolarHBondContact SG-CB 3.27Å; C463-C475 CovalentContact SG-SG 2.03Å; C463-C475 PolarHBondContact SG-SG 2.62Å; C463-Q485 CarbonylContact C-O 3.54Å; C463-Q485 VanDerWaalsContact C-O 3.29Å; C463-Q485 WeakPolarHBondContact CA-O 3.14Å |
| 464 | A | 66.1 | Low | 65.2 | Low | 28 Ų | 28 | 74.2 Ų | 74.2 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | 35.6 | 61.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G466 Q467 Q485 C486 | A464-G466 VanDerWaalsContact C-N 3.27Å; A464-G466 PolarHBondContact O-N 3.39Å; A464-G466 VanDerWaalsContact O-N 3.13Å; A464-Q467 HydrophobicContact CB-CB 4.23Å; A464-Q467 WeakPolarHBondContact O-CB 3.43Å; A464-Q467 VanDerWaalsContact O-CG 3.27Å; A464-Q467 WeakPolarHBondContact O-CG 3.33Å; A464-Q467 PolarHBondContact O-N 3.13Å; A464-Q485 WeakPolarHBondContact CB-O 3.43Å; A464-Q485 PolarHBondContact N-O 3.24Å; A464-C486 HydrophobicContact CB-CB 4.31Å; A464-C486 WeakPolarHBondContact CB-O 3.38Å |
| 465 | E | 67.7 | Low | 66 | Low | 180 Ų | 180 | 69.9 Ų | 69.9 | 84% | 0.841 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | 52.8 | 35.9 | 175.5 | -58.5 | -168.2 | 171.1 | 0 | 0 | 115.4 | C463 | C463-E465 PolarHBondContact O-N 3.35Š|
| 466 | G | 67.8 | Low | 67.2 | Low | 18 Ų | 18 | 63.2 Ų | 63.2 | 19% | 0.186 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | 100.7 | 10.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N460 C463 A464 G468 Q478 | N460-G466 PolarHBondContact O-N 3.39Å; C463-G466 PolarHBondContact O-N 2.97Å; C463-G466 VanDerWaalsContact O-N 3.08Å; A464-G466 VanDerWaalsContact C-N 3.27Å; A464-G466 PolarHBondContact O-N 3.39Å; A464-G466 VanDerWaalsContact O-N 3.13Å; G466-G468 PolarHBondContact O-N 3.04Å; G466-Q478 PolarHBondContact O-NE2 2.8Å |
| 467 | Q | 76.8 | Confident | 68.4 | Low | 69 Ų | 69 | 58.8 Ų | 58.8 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 4.8 | 173.2 | -65.5 | 172.1 | -0.3 | 0 | 0 | 113 | C463 A464 Q478 F481 C486 | C463-Q467 PolarHBondContact O-N 3.49Å; A464-Q467 HydrophobicContact CB-CB 4.23Å; A464-Q467 WeakPolarHBondContact O-CB 3.43Å; A464-Q467 VanDerWaalsContact O-CG 3.27Å; A464-Q467 WeakPolarHBondContact O-CG 3.33Å; A464-Q467 PolarHBondContact O-N 3.13Å; Q467-Q478 WeakPolarHBondContact O-CB 3.45Å; Q467-Q478 WeakPolarHBondContact O-CG 3.29Å; Q467-Q478 PolarHBondContact O-N 2.87Å; Q467-F481 HydrophobicContact CB-CD1 4.27Å; Q467-F481 HydrophobicContact CB-CD2 4.32Å; Q467-F481 HydrophobicContact CB-CE1 4.49Å; Q467-F481 HydrophobicContact CB-CG 4.19Å; Q467-F481 HydrophobicContact CG-CD1 4.35Å; Q467-F481 HydrophobicContact CG-CE1 4.07Å; Q467-F481 HydrophobicContact CG-CE2 4.3Å; Q467-F481 HydrophobicContact CG-CZ 4.04Å; Q467-C486 HydrophobicContact CB-CB 4.32Å; Q467-C486 PolarHBondContact OE1-O 3.44Å |
| 468 | G | 75.9 | Confident | 69.8 | Low | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 170.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G466 V476 | G466-G468 PolarHBondContact O-N 3.04Å; G468-V476 CarbonylContact C-O 3.51Å; G468-V476 WeakPolarHBondContact CA-O 3.14Å |
| 469 | T | 77.8 | Confident | 71.1 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.9 | 174.3 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | V476 | T469-V476 PolarHBondContact N-O 3.29Å; T469-V476 PolarHBondContact O-N 3.11Å |
| 470 | Y | 76.3 | Confident | 71.9 | Confident | 58 Ų | 58 | 60 Ų | 60 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.2 | 175.8 | -175.6 | -92.6 | 0 | 0 | 0 | 110.7 | E45 G473 | E45-Y470 WeakPolarHBondContact CG-OH 3.37Å; Y470-G473 VanDerWaalsContact OH-CA 3.27Å; Y470-G473 WeakPolarHBondContact OH-CA 3.34Å |
| 471 | H | 76.5 | Confident | 73 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 119.6 | -179.1 | -171.7 | -93.8 | 0 | 0 | 0 | 109.8 | H454 G473 V474 V476 | H454-H471 AromaticContact CD2-NE2 3.41Å; H454-H471 PolarHBondContact CD2-NE2 2.86Å; H454-H471 AromaticContact CE1-NE2 3.49Å; H454-H471 PolarHBondContact CE1-NE2 2.9Å; H454-H471 AromaticContact NE2-CD2 3.9Å; H454-H471 AromaticContact NE2-CE1 3.85Å; H454-H471 AromaticContact NE2-NE2 2.92Å; H454-H471 PolarHBondContact NE2-NE2 3.22Å; H471-G473 VanDerWaalsContact C-N 3.28Å; H471-G473 PolarHBondContact O-N 3.41Å; H471-V474 PolarHBondContact N-O 2.9Å; H471-V474 WeakPolarHBondContact O-CG2 3.47Å; H471-V474 PolarHBondContact O-N 3.47Å; H471-V474 VanDerWaalsContact O-O 3.11Å; H471-V476 HydrophobicContact CB-CG2 4.23Å |
| 472 | C | 78.4 | Confident | 73.6 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37 | 170.4 | -58.2 | 0 | 0 | 0 | 0 | 115.9 | C29 W41 T43 C453 | C29-C472 HydrophobicContact CB-CB 4.05Å; W41-C472 PolarHBondContact NE1-O 3.43Å; T43-C472 HydrophobicContact CG2-CB 4.17Å; C453-C472 HydrophobicContact CB-CB 3.91Å; C453-C472 WeakPolarHBondContact CB-SG 3.2Å; C453-C472 WeakPolarHBondContact SG-CB 3.42Å; C453-C472 CovalentContact SG-SG 2.01Å; C453-C472 PolarHBondContact SG-SG 3.04Å |
| 473 | G | 77.1 | Confident | 73.6 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -6.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T43 R56 Y470 H471 | T43-G473 WeakPolarHBondContact O-CA 3.3Å; R56-G473 PolarHBondContact NH2-O 2.92Å; Y470-G473 VanDerWaalsContact OH-CA 3.27Å; Y470-G473 WeakPolarHBondContact OH-CA 3.34Å; H471-G473 VanDerWaalsContact C-N 3.28Å; H471-G473 PolarHBondContact O-N 3.41Å |
| 474 | V | 77.6 | Confident | 73.4 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152.7 | -178 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | W41 H471 | W41-V474 HydrophobicContact CH2-CG1 4.3Å; W41-V474 HydrophobicContact CZ2-CG1 3.85Å; W41-V474 HydrophobicContact CZ2-CG2 4.28Å; H471-V474 PolarHBondContact N-O 2.9Å; H471-V474 WeakPolarHBondContact O-CG2 3.47Å; H471-V474 PolarHBondContact O-N 3.47Å; H471-V474 VanDerWaalsContact O-O 3.11Å |
| 475 | C | 76.9 | Confident | 73.7 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.5 | 172 | -73.2 | 0 | 0 | 0 | 0 | 110.3 | C463 A484 | C463-C475 VanDerWaalsContact CA-SG 3.53Å; C463-C475 HydrophobicContact CB-CB 3.77Å; C463-C475 WeakPolarHBondContact CB-SG 3.47Å; C463-C475 VanDerWaalsContact SG-CA 3.55Å; C463-C475 WeakPolarHBondContact SG-CB 3.27Å; C463-C475 CovalentContact SG-SG 2.03Å; C463-C475 PolarHBondContact SG-SG 2.62Å; C475-A484 WeakPolarHBondContact CB-O 3.22Å |
| 476 | V | 77.1 | Confident | 74 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 104.6 | 169.3 | -177 | 0 | 0 | 0 | 0 | 107.5 | G468 T469 H471 | G468-V476 CarbonylContact C-O 3.51Å; G468-V476 WeakPolarHBondContact CA-O 3.14Å; T469-V476 PolarHBondContact N-O 3.29Å; T469-V476 PolarHBondContact O-N 3.11Å; H471-V476 HydrophobicContact CB-CG2 4.23Å |
| 477 | C | 75.9 | Confident | 74.2 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 25% | 0.25 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 148.6 | -173.4 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | F481 C486 | C477-F481 HydrophobicContact CB-CB 4.29Å; C477-F481 WeakPolarHBondContact CB-O 3.29Å; C477-C486 WeakPolarHBondContact CA-SG 3.41Å; C477-C486 HydrophobicContact CB-CB 3.78Å; C477-C486 WeakPolarHBondContact CB-SG 3.26Å; C477-C486 WeakPolarHBondContact SG-CA 3.47Å; C477-C486 WeakPolarHBondContact SG-CB 3.46Å; C477-C486 CovalentContact SG-SG 2.04Å; C477-C486 PolarHBondContact SG-SG 3.28Å |
| 478 | Q | 78.4 | Confident | 73.9 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 154.1 | 169.8 | -69.7 | 177.6 | 1.7 | 0 | 0 | 110.5 | G466 Q467 G480 F481 | G466-Q478 PolarHBondContact O-NE2 2.8Å; Q467-Q478 WeakPolarHBondContact O-CB 3.45Å; Q467-Q478 WeakPolarHBondContact O-CG 3.29Å; Q467-Q478 PolarHBondContact O-N 2.87Å; Q478-G480 PolarHBondContact O-N 3.31Å; Q478-F481 PolarHBondContact O-N 2.95Å; Q478-F481 VanDerWaalsContact O-N 3.14Å |
| 479 | P | 74.9 | Confident | 73.6 | Confident | 135 Ų | 135 | 54.7 Ų | 54.7 | 88% | 0.877 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 127.4 | 177.8 | -25.8 | 34.3 | 0 | 0 | 0 | 112.3 | ||
| 480 | G | 68.3 | Low | 72.8 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -4.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q478 | Q478-G480 PolarHBondContact O-N 3.31Š|
| 481 | F | 73.1 | Confident | 71.9 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 25% | 0.25 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.7 | 173.8 | -66.1 | -88.5 | 0 | 0 | 0 | 111 | Q467 C477 Q478 C486 C488 N489 | Q467-F481 HydrophobicContact CB-CD1 4.27Å; Q467-F481 HydrophobicContact CB-CD2 4.32Å; Q467-F481 HydrophobicContact CB-CE1 4.49Å; Q467-F481 HydrophobicContact CB-CG 4.19Å; Q467-F481 HydrophobicContact CG-CD1 4.35Å; Q467-F481 HydrophobicContact CG-CE1 4.07Å; Q467-F481 HydrophobicContact CG-CE2 4.3Å; Q467-F481 HydrophobicContact CG-CZ 4.04Å; C477-F481 HydrophobicContact CB-CB 4.29Å; C477-F481 WeakPolarHBondContact CB-O 3.29Å; Q478-F481 PolarHBondContact O-N 2.95Å; Q478-F481 VanDerWaalsContact O-N 3.14Å; F481-C486 HydrophobicContact CB-CB 4.09Å; F481-C488 WeakPolarHBondContact CA-O 3.44Å; F481-N489 HydrophobicContact CD1-CB 4.32Å; F481-N489 HydrophobicContact CE1-CB 4.18Å |
| 482 | L | 67.4 | Low | 70.8 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 159.6 | -174.6 | -57 | 169.7 | 0 | 0 | 0 | 109.9 | C486 E487 C488 Y514 | L482-C486 CarbonylContact O-C 3.02Å; L482-E487 PolarHBondContact O-N 3.45Å; L482-C488 PolarHBondContact N-O 3.5Å; L482-C488 WeakPolarHBondContact O-CB 3.41Å; L482-C488 PolarHBondContact O-N 2.98Å; L482-Y514 HydrophobicContact CB-CD1 4.28Å; L482-Y514 HydrophobicContact CB-CE1 4.37Å; L482-Y514 HydrophobicContact CD2-CE1 4.15Å |
| 483 | G | 64.9 | Low | 69.5 | Low | 27 Ų | 27 | 63.8 Ų | 63.8 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 110.9 | 167.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q485 C486 E487 | G483-Q485 PolarHBondContact O-N 3.12Å; G483-C486 PolarHBondContact O-N 2.92Å; G483-E487 VanDerWaalsContact C-OE2 3.3Å; G483-E487 WeakPolarHBondContact CA-OE2 3.5Å |
| 484 | A | 65.6 | Low | 68.2 | Low | 54 Ų | 54 | 72.4 Ų | 72.4 | 45% | 0.446 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C475 E487 | C475-A484 WeakPolarHBondContact CB-O 3.22Å; A484-E487 PolarHBondContact N-OE1 3.47Å; A484-E487 PolarHBondContact N-OE2 2.98Å |
| 485 | Q | 72.7 | Confident | 67 | Low | 119 Ų | 119 | 79 Ų | 79 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 11.7 | 176.3 | -63.3 | -175.7 | -13.5 | 0 | 0 | 112.4 | C463 A464 G483 E487 | C463-Q485 CarbonylContact C-O 3.54Å; C463-Q485 VanDerWaalsContact C-O 3.29Å; C463-Q485 WeakPolarHBondContact CA-O 3.14Å; A464-Q485 WeakPolarHBondContact CB-O 3.43Å; A464-Q485 PolarHBondContact N-O 3.24Å; G483-Q485 PolarHBondContact O-N 3.12Å; Q485-E487 VanDerWaalsContact C-OE2 3.29Å; Q485-E487 VanDerWaalsContact CA-OE2 3.31Å; Q485-E487 WeakPolarHBondContact CA-OE2 3.19Å; Q485-E487 PolarHBondContact N-OE2 3.45Å |
| 486 | C | 75.6 | Confident | 66.1 | Low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 66.9 | 35.3 | -174.9 | -43.3 | 0 | 0 | 0 | 0 | 113.9 | A464 Q467 C477 F481 L482 G483 | A464-C486 HydrophobicContact CB-CB 4.31Å; A464-C486 WeakPolarHBondContact CB-O 3.38Å; Q467-C486 HydrophobicContact CB-CB 4.32Å; Q467-C486 PolarHBondContact OE1-O 3.44Å; C477-C486 WeakPolarHBondContact CA-SG 3.41Å; C477-C486 HydrophobicContact CB-CB 3.78Å; C477-C486 WeakPolarHBondContact CB-SG 3.26Å; C477-C486 WeakPolarHBondContact SG-CA 3.47Å; C477-C486 WeakPolarHBondContact SG-CB 3.46Å; C477-C486 CovalentContact SG-SG 2.04Å; C477-C486 PolarHBondContact SG-SG 3.28Å; F481-C486 HydrophobicContact CB-CB 4.09Å; L482-C486 CarbonylContact O-C 3.02Å; G483-C486 PolarHBondContact O-N 2.92Å |
| 487 | E | 72.1 | Confident | 65.5 | Low | 114 Ų | 114 | 83.7 Ų | 83.7 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | trans | -84.2 | -21.7 | -172.1 | 66.4 | -86.5 | -158.2 | 0 | 0 | 115.6 | L482 G483 A484 Q485 | L482-E487 PolarHBondContact O-N 3.45Å; G483-E487 VanDerWaalsContact C-OE2 3.3Å; G483-E487 WeakPolarHBondContact CA-OE2 3.5Å; A484-E487 PolarHBondContact N-OE1 3.47Å; A484-E487 PolarHBondContact N-OE2 2.98Å; Q485-E487 VanDerWaalsContact C-OE2 3.29Å; Q485-E487 VanDerWaalsContact CA-OE2 3.31Å; Q485-E487 WeakPolarHBondContact CA-OE2 3.19Å; Q485-E487 PolarHBondContact N-OE2 3.45Å | ||
| 488 | C | 69.5 | Low | 65.3 | Low | 26 Ų | 26 | 82.1 Ų | 82.1 | 18% | 0.176 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139 | 179.6 | -67.3 | 0 | 0 | 0 | 0 | 109.9 | F481 L482 C515 | F481-C488 WeakPolarHBondContact CA-O 3.44Å; L482-C488 PolarHBondContact N-O 3.5Å; L482-C488 WeakPolarHBondContact O-CB 3.41Å; L482-C488 PolarHBondContact O-N 2.98Å; C488-C515 WeakPolarHBondContact CB-SG 3.43Å; C488-C515 WeakPolarHBondContact SG-CB 3.32Å; C488-C515 CovalentContact SG-SG 2.1Å; C488-C515 PolarHBondContact SG-SG 2.96Å |
| 489 | N | 70.6 | Confident | 65.1 | Low | 56 Ų | 56 | 81.3 Ų | 81.3 | 30% | 0.299 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 162.2 | 172.9 | 76.4 | -0.2 | 0 | 0 | 0 | 111.7 | F481 E491 T492 | F481-N489 HydrophobicContact CD1-CB 4.32Å; F481-N489 HydrophobicContact CE1-CB 4.18Å; N489-E491 PolarHBondContact O-N 3.43Å; N489-E491 PolarHBondContact OD1-N 3.04Å; N489-T492 PolarHBondContact N-OG1 2.8Å; N489-T492 PolarHBondContact O-N 2.83Å; N489-T492 PolarHBondContact O-OG1 3.3Å; N489-T492 WeakPolarHBondContact OD1-CG2 3.36Å; N489-T492 PolarHBondContact OD1-N 2.88Å; N489-T492 VanDerWaalsContact OD1-N 3.15Å; N489-T492 PolarHBondContact OD1-OG1 3.4Å |
| 490 | D | 59.6 | Low | 64.8 | Low | 99 Ų | 99 | 77.2 Ų | 77.2 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.6 | -179.3 | -78.8 | -27.3 | 0 | 0 | 0 | 114.7 | F494 | D490-F494 WeakPolarHBondContact O-CD2 3.31Š|
| 491 | E | 56.9 | Low | 64.9 | Low | 163 Ų | 163 | 80 Ų | 80 | 76% | 0.762 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -25.5 | 179.8 | -64 | -168.6 | 160.3 | 0 | 0 | 113.5 | N489 | N489-E491 PolarHBondContact O-N 3.43Å; N489-E491 PolarHBondContact OD1-N 3.04Å |
| 492 | T | 54.2 | Low | 64.6 | Low | 83 Ų | 83 | 84.9 Ų | 84.9 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -14.7 | 179.4 | 53 | 0 | 0 | 0 | 0 | 113.9 | N489 F494 | N489-T492 PolarHBondContact N-OG1 2.8Å; N489-T492 PolarHBondContact O-N 2.83Å; N489-T492 PolarHBondContact O-OG1 3.3Å; N489-T492 WeakPolarHBondContact OD1-CG2 3.36Å; N489-T492 PolarHBondContact OD1-N 2.88Å; N489-T492 VanDerWaalsContact OD1-N 3.15Å; N489-T492 PolarHBondContact OD1-OG1 3.4Å; T492-F494 VanDerWaalsContact C-N 3.3Å; T492-F494 PolarHBondContact O-N 3.07Å |
| 493 | A | 50.5 | Low | 64.6 | Low | 41 Ų | 41 | 89.6 Ų | 89.6 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -70.9 | -20.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | L495 | A493-L495 VanDerWaalsContact C-N 3.25Å; A493-L495 PolarHBondContact O-N 2.87Å |
| 494 | F | 49.9 | Very low | 64.8 | Low | 188 Ų | 188 | 89.3 Ų | 89.3 | 83% | 0.825 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -74.2 | -1.6 | -174.2 | -86.4 | -81.5 | 0 | 0 | 0 | 115.7 | D490 T492 | D490-F494 WeakPolarHBondContact O-CD2 3.31Å; T492-F494 VanDerWaalsContact C-N 3.3Å; T492-F494 PolarHBondContact O-N 3.07Å |
| 495 | L | 52.7 | Low | 65.3 | Low | 163 Ų | 163 | 93.6 Ų | 93.6 | 85% | 0.853 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -103.8 | 9.9 | -170.1 | -111.7 | 144.6 | 0 | 0 | 0 | 115.6 | A493 | A493-L495 VanDerWaalsContact C-N 3.25Å; A493-L495 PolarHBondContact O-N 2.87Å |
| 496 | S | 57.2 | Low | 65.6 | Low | 46 Ų | 46 | 92.7 Ų | 92.7 | 32% | 0.322 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -150 | 125.6 | -166.3 | 47.9 | 0 | 0 | 0 | 0 | 118.5 | C498 G516 | S496-C498 VanDerWaalsContact C-N 3.31Å; S496-C498 PolarHBondContact O-N 3.36Å; S496-G516 WeakPolarHBondContact OG-CA 3.43Å; S496-G516 PolarHBondContact OG-N 2.79Å |
| 497 | N | 65.9 | Low | 65.7 | Low | 155 Ų | 155 | 92.7 Ų | 92.7 | 83% | 0.829 | 50% | 0.497 | S | S | * | . | trans | 13.9 | 13.9 | 150 | -94.8 | 11.5 | 0 | 0 | 0 | 125 | L499 | N497-L499 VanDerWaalsContact C-N 3.28Å; N497-L499 PolarHBondContact O-N 2.78Å | ||
| 498 | C | 71.3 | Confident | 66.2 | Low | 4 Ų | 4 | 89.6 Ų | 89.6 | 3% | 0.027 | 49% | 0.485 | C | S | . | . | trans | -85.8 | 13.5 | -179.8 | -67.5 | 0 | 0 | 0 | 0 | 115.3 | S496 I506 C507 C513 G516 | S496-C498 VanDerWaalsContact C-N 3.31Å; S496-C498 PolarHBondContact O-N 3.36Å; C498-I506 HydrophobicContact CB-CG2 4.09Å; C498-C507 PolarHBondContact O-N 3.16Å; C498-C513 HydrophobicContact CB-CB 3.48Å; C498-C513 VanDerWaalsContact CB-CB 3.48Å; C498-C513 WeakPolarHBondContact CB-SG 3.33Å; C498-C513 WeakPolarHBondContact SG-CB 3.21Å; C498-C513 CovalentContact SG-SG 2.03Å; C498-C513 PolarHBondContact SG-SG 2.75Å; C498-G516 VanDerWaalsContact SG-C 3.51Å | ||
| 499 | L | 75.1 | Confident | 66.8 | Low | 82 Ų | 82 | 90.4 Ų | 90.4 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | trans | -109.9 | 131.4 | 179.5 | -68.2 | 168.1 | 0 | 0 | 0 | 109.6 | N497 S504 I506 | N497-L499 VanDerWaalsContact C-N 3.28Å; N497-L499 PolarHBondContact O-N 2.78Å; L499-S504 WeakPolarHBondContact CD2-O 3.36Å; L499-I506 HydrophobicContact CD2-CG1 3.98Å | ||
| 500 | A | 67.6 | Low | 67.3 | Low | 49 Ų | 49 | 90.8 Ų | 90.8 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -74.4 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | S504 N532 | A500-S504 PolarHBondContact N-OG 3.3Å; A500-N532 WeakPolarHBondContact CA-ND2 3.45Å; A500-N532 HydrophobicContact CB-CB 4.25Å; A500-N532 WeakPolarHBondContact CB-ND2 3.42Å; A500-N532 PolarHBondContact N-ND2 3.49Å |
| 501 | T | 70.6 | Confident | 68.2 | Low | 89 Ų | 89 | 86.4 Ų | 86.4 | 55% | 0.546 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -143 | 163.6 | 171.7 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | D503 S504 | T501-D503 PolarHBondContact O-N 3.23Å; T501-S504 PolarHBondContact N-OG 3.31Å; T501-S504 PolarHBondContact O-N 3.33Å; T501-S504 PolarHBondContact O-OG 3.48Å; T501-S504 PolarHBondContact OG1-N 3.41Å |
| 502 | N | 66.1 | Low | 68.9 | Low | 160 Ų | 160 | 81.9 Ų | 81.9 | 86% | 0.856 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.1 | -179.3 | -76.3 | -16.5 | 0 | 0 | 0 | 114.2 | ||
| 503 | D | 67.5 | Low | 69.8 | Low | 163 Ų | 163 | 79.1 Ų | 79.1 | 87% | 0.872 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -1.1 | 177.8 | -65.6 | -34.6 | 0 | 0 | 0 | 113.3 | T501 | T501-D503 PolarHBondContact O-N 3.23Š|
| 504 | S | 68.7 | Low | 70.5 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -80.2 | 151.2 | 177.6 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | L499 A500 T501 | L499-S504 WeakPolarHBondContact CD2-O 3.36Å; A500-S504 PolarHBondContact N-OG 3.3Å; T501-S504 PolarHBondContact N-OG 3.31Å; T501-S504 PolarHBondContact O-N 3.33Å; T501-S504 PolarHBondContact O-OG 3.48Å; T501-S504 PolarHBondContact OG1-N 3.41Å |
| 505 | E | 77.6 | Confident | 71.3 | Confident | 143 Ų | 143 | 75.5 Ų | 75.5 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -67 | 154.7 | 167.4 | -65.3 | -176.7 | 167.3 | 0 | 0 | 110.8 | C507 N508 | E505-C507 PolarHBondContact O-N 3.34Å; E505-N508 PolarHBondContact O-N 2.81Å |
| 506 | I | 77.6 | Confident | 71.9 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -56.5 | 125.3 | 176.5 | -63.6 | 173.4 | 0 | 0 | 0 | 108.4 | C498 L499 N508 G509 C513 | C498-I506 HydrophobicContact CB-CG2 4.09Å; L499-I506 HydrophobicContact CD2-CG1 3.98Å; I506-N508 PolarHBondContact O-N 2.98Å; I506-N508 VanDerWaalsContact O-N 3.11Å; I506-G509 PolarHBondContact O-N 3.31Å; I506-C513 HydrophobicContact CG2-CB 3.49Å; I506-C513 VanDerWaalsContact CG2-CB 3.49Å |
| 507 | C | 79.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | 49.8 | 35.6 | -175.9 | -52.3 | 0 | 0 | 0 | 0 | 113.8 | C498 E505 G509 Q510 G511 C518 N532 | C498-C507 PolarHBondContact O-N 3.16Å; E505-C507 PolarHBondContact O-N 3.34Å; C507-G509 PolarHBondContact O-N 2.87Å; C507-Q510 PolarHBondContact O-N 2.78Å; C507-G511 WeakPolarHBondContact CB-O 3.37Å; C507-C518 WeakPolarHBondContact CA-SG 3.29Å; C507-C518 HydrophobicContact CB-CB 3.73Å; C507-C518 WeakPolarHBondContact CB-SG 3.37Å; C507-C518 WeakPolarHBondContact SG-CA 3.3Å; C507-C518 WeakPolarHBondContact SG-CB 3.48Å; C507-C518 CovalentContact SG-SG 2.03Å; C507-C518 PolarHBondContact SG-SG 3.48Å; C507-N532 CarbonylContact C-O 3.53Å; C507-N532 WeakPolarHBondContact CA-O 3.12Å |
| 508 | N | 81.9 | Confident | 73 | Confident | 50 Ų | 50 | 66 Ų | 66 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | 52.1 | 26.2 | -176.2 | -67.1 | -73.6 | 0 | 0 | 0 | 114.3 | E505 I506 Q510 N532 | E505-N508 PolarHBondContact O-N 2.81Å; I506-N508 PolarHBondContact O-N 2.98Å; I506-N508 VanDerWaalsContact O-N 3.11Å; N508-Q510 PolarHBondContact O-N 3.4Å; N508-N532 PolarHBondContact ND2-O 3.03Å |
| 509 | G | 81.4 | Confident | 73.2 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | 68.4 | 8.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I506 C507 | I506-G509 PolarHBondContact O-N 3.31Å; C507-G509 PolarHBondContact O-N 2.87Å |
| 510 | Q | 81.3 | Confident | 73.5 | Confident | 65 Ų | 65 | 67 Ų | 67 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -118 | 18 | -175.7 | -67.8 | -175.4 | 64.4 | 0 | 0 | 112.5 | C507 N508 C520 H521 I528 C533 | C507-Q510 PolarHBondContact O-N 2.78Å; N508-Q510 PolarHBondContact O-N 3.4Å; Q510-C520 WeakPolarHBondContact O-CA 3.48Å; Q510-H521 PolarHBondContact O-N 3.48Å; Q510-I528 HydrophobicContact CB-CD1 4.23Å; Q510-I528 HydrophobicContact CB-CG2 4.21Å; Q510-C533 HydrophobicContact CB-CB 4.26Å |
| 511 | G | 78.1 | Confident | 73.9 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 167 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C507 V519 | C507-G511 WeakPolarHBondContact CB-O 3.37Å; G511-V519 CarbonylContact C-O 3.41Å; G511-V519 WeakPolarHBondContact CA-O 3.45Å |
| 512 | D | 73.6 | Confident | 73.3 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.5 | 174 | -57.1 | -47.6 | 0 | 0 | 0 | 109.2 | Y514 V519 H521 | D512-Y514 HydrophobicContact CB-CD2 4.04Å; D512-Y514 HydrophobicContact CB-CE2 3.38Å; D512-Y514 PolarHBondContact O-N 3.19Å; D512-Y514 PolarHBondContact OD2-OH 3.37Å; D512-V519 PolarHBondContact N-O 2.87Å; D512-V519 PolarHBondContact O-N 3.45Å; D512-H521 IonicContact OD1-CE1 3.6Å; D512-H521 IonicContact OD1-NE2 2.9Å; D512-H521 PolarHBondContact OD1-NE2 2.84Å; D512-H521 IonicContact OD2-CD2 3.42Å; D512-H521 PolarHBondContact OD2-CD2 2.84Å; D512-H521 IonicContact OD2-NE2 2.94Å; D512-H521 PolarHBondContact OD2-NE2 3.16Å |
| 513 | C | 71.6 | Confident | 73.5 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.3 | 173.7 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | C498 I506 | C498-C513 HydrophobicContact CB-CB 3.48Å; C498-C513 VanDerWaalsContact CB-CB 3.48Å; C498-C513 WeakPolarHBondContact CB-SG 3.33Å; C498-C513 WeakPolarHBondContact SG-CB 3.21Å; C498-C513 CovalentContact SG-SG 2.03Å; C498-C513 PolarHBondContact SG-SG 2.75Å; I506-C513 HydrophobicContact CG2-CB 3.49Å; I506-C513 VanDerWaalsContact CG2-CB 3.49Å |
| 514 | Y | 66.3 | Low | 73.5 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 109 | 174.5 | -66.7 | -79.1 | 0 | 0 | 0 | 109.7 | L482 D512 G516 H517 V519 | L482-Y514 HydrophobicContact CB-CD1 4.28Å; L482-Y514 HydrophobicContact CB-CE1 4.37Å; L482-Y514 HydrophobicContact CD2-CE1 4.15Å; D512-Y514 HydrophobicContact CB-CD2 4.04Å; D512-Y514 HydrophobicContact CB-CE2 3.38Å; D512-Y514 PolarHBondContact O-N 3.19Å; D512-Y514 PolarHBondContact OD2-OH 3.37Å; Y514-G516 PolarHBondContact O-N 2.92Å; Y514-H517 PolarHBondContact N-O 2.78Å; Y514-H517 PolarHBondContact O-N 3.43Å; Y514-V519 HydrophobicContact CD2-CB 3.71Å; Y514-V519 HydrophobicContact CD2-CG2 3.61Å; Y514-V519 HydrophobicContact CE2-CB 3.97Å; Y514-V519 HydrophobicContact CE2-CG2 4.3Å; Y514-V519 HydrophobicContact CG-CG2 4.5Å |
| 515 | C | 65.3 | Low | 73.4 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 41.7 | 173.8 | -33.7 | 0 | 0 | 0 | 0 | 112.7 | C488 | C488-C515 WeakPolarHBondContact CB-SG 3.43Å; C488-C515 WeakPolarHBondContact SG-CB 3.32Å; C488-C515 CovalentContact SG-SG 2.1Å; C488-C515 PolarHBondContact SG-SG 2.96Å |
| 516 | G | 66.3 | Low | 73.2 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 13% | 0.134 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | 4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | S496 C498 Y514 | S496-G516 WeakPolarHBondContact OG-CA 3.43Å; S496-G516 PolarHBondContact OG-N 2.79Å; C498-G516 VanDerWaalsContact SG-C 3.51Å; Y514-G516 PolarHBondContact O-N 2.92Å |
| 517 | H | 70.4 | Confident | 73.3 | Confident | 128 Ų | 128 | 64.9 Ų | 64.9 | 59% | 0.593 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.3 | 174.1 | -66.9 | -79.3 | 0 | 0 | 0 | 111 | Y514 | Y514-H517 PolarHBondContact N-O 2.78Å; Y514-H517 PolarHBondContact O-N 3.43Å |
| 518 | C | 75.8 | Confident | 73.4 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.7 | 173.6 | -72.1 | 0 | 0 | 0 | 0 | 110.6 | C507 | C507-C518 WeakPolarHBondContact CA-SG 3.29Å; C507-C518 HydrophobicContact CB-CB 3.73Å; C507-C518 WeakPolarHBondContact CB-SG 3.37Å; C507-C518 WeakPolarHBondContact SG-CA 3.3Å; C507-C518 WeakPolarHBondContact SG-CB 3.48Å; C507-C518 CovalentContact SG-SG 2.03Å; C507-C518 PolarHBondContact SG-SG 3.48Å |
| 519 | V | 76.1 | Confident | 73.3 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.9 | 166.8 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | G511 D512 Y514 | G511-V519 CarbonylContact C-O 3.41Å; G511-V519 WeakPolarHBondContact CA-O 3.45Å; D512-V519 PolarHBondContact N-O 2.87Å; D512-V519 PolarHBondContact O-N 3.45Å; Y514-V519 HydrophobicContact CD2-CB 3.71Å; Y514-V519 HydrophobicContact CD2-CG2 3.61Å; Y514-V519 HydrophobicContact CE2-CB 3.97Å; Y514-V519 HydrophobicContact CE2-CG2 4.3Å; Y514-V519 HydrophobicContact CG-CG2 4.5Å |
| 520 | C | 80.1 | Confident | 73.1 | Confident | 30 Ų | 30 | 66 Ų | 66 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.7 | -175.9 | -48.3 | 0 | 0 | 0 | 0 | 110.8 | Q510 I528 C533 | Q510-C520 WeakPolarHBondContact O-CA 3.48Å; C520-I528 HydrophobicContact CB-CB 3.96Å; C520-I528 HydrophobicContact CB-CG2 3.75Å; C520-C533 WeakPolarHBondContact CA-SG 3.22Å; C520-C533 HydrophobicContact CB-CB 3.77Å; C520-C533 WeakPolarHBondContact CB-SG 3.42Å; C520-C533 PolarHBondContact N-SG 3.3Å; C520-C533 VanDerWaalsContact N-SG 3.36Å; C520-C533 WeakPolarHBondContact SG-CA 3.4Å; C520-C533 WeakPolarHBondContact SG-CB 3.34Å; C520-C533 CovalentContact SG-SG 2.04Å; C520-C533 PolarHBondContact SG-SG 3.41Å |
| 521 | H | 76.9 | Confident | 72.9 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 139.4 | 176.9 | -65.5 | 155.3 | 0 | 0 | 0 | 109.5 | Q510 D512 S523 I528 | Q510-H521 PolarHBondContact O-N 3.48Å; D512-H521 IonicContact OD1-CE1 3.6Å; D512-H521 IonicContact OD1-NE2 2.9Å; D512-H521 PolarHBondContact OD1-NE2 2.84Å; D512-H521 IonicContact OD2-CD2 3.42Å; D512-H521 PolarHBondContact OD2-CD2 2.84Å; D512-H521 IonicContact OD2-NE2 2.94Å; D512-H521 PolarHBondContact OD2-NE2 3.16Å; H521-S523 PolarHBondContact O-N 2.9Å; H521-I528 WeakPolarHBondContact O-CD1 3.42Å |
| 522 | P | 57.5 | Low | 73.1 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 57% | 0.571 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 137.9 | 170.5 | 27.8 | -32.2 | 0 | 0 | 0 | 109.1 | ||
| 523 | S | 69.5 | Low | 73.7 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -117.3 | 131.1 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 109.4 | H521 Y525 G526 Y538 | H521-S523 PolarHBondContact O-N 2.9Å; S523-Y525 PolarHBondContact O-N 2.9Å; S523-Y525 VanDerWaalsContact O-N 3.17Å; S523-Y525 PolarHBondContact OG-N 2.83Å; S523-G526 WeakPolarHBondContact CB-O 2.93Å; S523-G526 PolarHBondContact O-N 3.41Å; S523-Y538 WeakPolarHBondContact CB-OH 3.44Å; S523-Y538 WeakPolarHBondContact OG-CE1 2.9Å; S523-Y538 VanDerWaalsContact OG-CZ 3.23Å; S523-Y538 PolarHBondContact OG-OH 3.28Å |
| 524 | S | 67.9 | Low | 74.3 | Confident | 112 Ų | 112 | 69.1 Ų | 69.1 | 78% | 0.783 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.1 | 172.3 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 525 | Y | 66.3 | Low | 75.3 | Confident | 172 Ų | 172 | 65.9 Ų | 65.9 | 68% | 0.675 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -15.9 | -177.6 | -56.2 | -74 | 0 | 0 | 0 | 113.1 | S523 Y538 | S523-Y525 PolarHBondContact O-N 2.9Å; S523-Y525 VanDerWaalsContact O-N 3.17Å; S523-Y525 PolarHBondContact OG-N 2.83Å; Y525-Y538 WeakPolarHBondContact O-CB 3.43Å |
| 526 | G | 75.1 | Confident | 76.4 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | 155.3 | -155.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S523 N537 Y538 | S523-G526 WeakPolarHBondContact CB-O 2.93Å; S523-G526 PolarHBondContact O-N 3.41Å; G526-N537 WeakPolarHBondContact CA-OD1 3.28Å; G526-Y538 VanDerWaalsContact CA-CD1 3.44Å |
| 527 | R | 79.4 | Confident | 77.4 | Confident | 180 Ų | 180 | 65.8 Ų | 65.8 | 68% | 0.679 | 36% | 0.355 | S | S | * | . | trans | -100.7 | 125.9 | -175.3 | -173.7 | 178.8 | -177.9 | -179.4 | 2.2 | 110.9 | Y529 D536 N537 | R527-Y529 HydrophobicContact CG-CD1 4.4Å; R527-Y529 WeakPolarHBondContact O-CD1 3.39Å; R527-D536 WeakPolarHBondContact O-CA 3.19Å; R527-N537 PolarHBondContact N-OD1 3.24Å; R527-N537 PolarHBondContact O-N 2.78Å; R527-N537 PolarHBondContact O-OD1 3.43Å | ||
| 528 | I | 81.6 | Confident | 78.1 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.5 | 162.9 | -57.8 | 161 | 0 | 0 | 0 | 107.9 | Q510 C520 H521 C533 C535 D536 Y538 | Q510-I528 HydrophobicContact CB-CD1 4.23Å; Q510-I528 HydrophobicContact CB-CG2 4.21Å; C520-I528 HydrophobicContact CB-CB 3.96Å; C520-I528 HydrophobicContact CB-CG2 3.75Å; H521-I528 WeakPolarHBondContact O-CD1 3.42Å; I528-C533 HydrophobicContact CG2-CB 3.85Å; I528-C535 CarbonylContact C-O 3.53Å; I528-C535 WeakPolarHBondContact CA-O 3.3Å; I528-D536 HydrophobicContact CG1-CB 4.27Å; I528-Y538 VanDerWaalsContact CD1-OH 3.24Å; I528-Y538 WeakPolarHBondContact CD1-OH 3.44Å; I528-Y538 HydrophobicContact CG1-CE1 3.95Å; I528-Y538 WeakPolarHBondContact CG1-OH 3.46Å |
| 529 | Y | 79.5 | Confident | 78.7 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 174.9 | -176.8 | 61.6 | -81.3 | 0 | 0 | 0 | 110.8 | R527 C535 N537 D555 C556 | R527-Y529 HydrophobicContact CG-CD1 4.4Å; R527-Y529 WeakPolarHBondContact O-CD1 3.39Å; Y529-C535 HydrophobicContact CD1-CB 4.49Å; Y529-C535 HydrophobicContact CD2-CB 4Å; Y529-C535 HydrophobicContact CE1-CB 4.18Å; Y529-C535 HydrophobicContact CE2-CB 3.67Å; Y529-C535 HydrophobicContact CG-CB 4.4Å; Y529-C535 PolarHBondContact N-O 3.24Å; Y529-C535 PolarHBondContact O-N 3.37Å; Y529-N537 HydrophobicContact CE1-CB 4.34Å; Y529-D555 PolarHBondContact OH-OD1 2.75Å; Y529-C556 PolarHBondContact OH-N 3.09Å |
| 530 | G | 77.3 | Confident | 79.4 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 113.6 | 166.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111 | N532 E534 | G530-N532 PolarHBondContact O-N 2.9Å; G530-E534 WeakPolarHBondContact CA-OE1 3.06Å; G530-E534 WeakPolarHBondContact CA-OE2 3.3Å |
| 531 | T | 76.9 | Confident | 79.8 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -29 | -174.5 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | E534 | T531-E534 PolarHBondContact N-OE1 3.33Å; T531-E534 PolarHBondContact N-OE2 2.9Å |
| 532 | N | 81.6 | Confident | 80.4 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 24.6 | -179.3 | -59.2 | -25.9 | 0 | 0 | 0 | 111 | A500 C507 N508 G530 E534 | A500-N532 WeakPolarHBondContact CA-ND2 3.45Å; A500-N532 HydrophobicContact CB-CB 4.25Å; A500-N532 WeakPolarHBondContact CB-ND2 3.42Å; A500-N532 PolarHBondContact N-ND2 3.49Å; C507-N532 CarbonylContact C-O 3.53Å; C507-N532 WeakPolarHBondContact CA-O 3.12Å; N508-N532 PolarHBondContact ND2-O 3.03Å; G530-N532 PolarHBondContact O-N 2.9Å; N532-E534 VanDerWaalsContact C-N 3.29Å; N532-E534 WeakPolarHBondContact CA-OE2 3.29Å; N532-E534 PolarHBondContact N-OE2 3.15Å; N532-E534 PolarHBondContact O-N 3.25Å |
| 533 | C | 86.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 58.6 | 36.2 | -179.2 | -51.9 | 0 | 0 | 0 | 0 | 114.5 | Q510 C520 I528 | Q510-C533 HydrophobicContact CB-CB 4.26Å; C520-C533 WeakPolarHBondContact CA-SG 3.22Å; C520-C533 HydrophobicContact CB-CB 3.77Å; C520-C533 WeakPolarHBondContact CB-SG 3.42Å; C520-C533 PolarHBondContact N-SG 3.3Å; C520-C533 VanDerWaalsContact N-SG 3.36Å; C520-C533 WeakPolarHBondContact SG-CA 3.4Å; C520-C533 WeakPolarHBondContact SG-CB 3.34Å; C520-C533 CovalentContact SG-SG 2.04Å; C520-C533 PolarHBondContact SG-SG 3.41Å; I528-C533 HydrophobicContact CG2-CB 3.85Å |
| 534 | E | 85.3 | Confident | 82.2 | Confident | 85 Ų | 85 | 71 Ų | 71 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | trans | -83.8 | -15.5 | -175 | 67.3 | -82.8 | -169.2 | 0 | 0 | 115 | G530 T531 N532 | G530-E534 WeakPolarHBondContact CA-OE1 3.06Å; G530-E534 WeakPolarHBondContact CA-OE2 3.3Å; T531-E534 PolarHBondContact N-OE1 3.33Å; T531-E534 PolarHBondContact N-OE2 2.9Å; N532-E534 VanDerWaalsContact C-N 3.29Å; N532-E534 WeakPolarHBondContact CA-OE2 3.29Å; N532-E534 PolarHBondContact N-OE2 3.15Å; N532-E534 PolarHBondContact O-N 3.25Å | ||
| 535 | C | 87.7 | Confident | 82.9 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.5 | -175.2 | -72.3 | 0 | 0 | 0 | 0 | 111.6 | I528 Y529 C556 | I528-C535 CarbonylContact C-O 3.53Å; I528-C535 WeakPolarHBondContact CA-O 3.3Å; Y529-C535 HydrophobicContact CD1-CB 4.49Å; Y529-C535 HydrophobicContact CD2-CB 4Å; Y529-C535 HydrophobicContact CE1-CB 4.18Å; Y529-C535 HydrophobicContact CE2-CB 3.67Å; Y529-C535 HydrophobicContact CG-CB 4.4Å; Y529-C535 PolarHBondContact N-O 3.24Å; Y529-C535 PolarHBondContact O-N 3.37Å; C535-C556 VanDerWaalsContact CA-SG 3.59Å; C535-C556 HydrophobicContact CB-CB 3.74Å; C535-C556 WeakPolarHBondContact CB-SG 3.01Å; C535-C556 WeakPolarHBondContact SG-CB 3.09Å; C535-C556 CovalentContact SG-SG 2.05Å; C535-C556 PolarHBondContact SG-SG 3.33Å |
| 536 | D | 87.1 | Confident | 83.9 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 167.4 | 171.4 | 73 | 70.6 | 0 | 0 | 0 | 110.4 | R527 I528 Y538 S539 C556 | R527-D536 WeakPolarHBondContact O-CA 3.19Å; I528-D536 HydrophobicContact CG1-CB 4.27Å; D536-Y538 HydrophobicContact CB-CD1 4.01Å; D536-Y538 HydrophobicContact CB-CE1 3.67Å; D536-Y538 HydrophobicContact CB-CE2 4.36Å; D536-Y538 PolarHBondContact OD1-N 2.8Å; D536-S539 WeakPolarHBondContact OD1-CA 3.33Å; D536-S539 WeakPolarHBondContact OD1-CB 3.29Å; D536-S539 PolarHBondContact OD1-N 2.89Å; D536-S539 PolarHBondContact OD1-OG 2.01Å; D536-S539 WeakPolarHBondContact OD2-CB 3.28Å; D536-S539 PolarHBondContact OD2-OG 2.68Å; D536-C556 PolarHBondContact O-N 3.5Å |
| 537 | N | 86.7 | Confident | 84.5 | Confident | 62 Ų | 62 | 67 Ų | 67 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -109.7 | 19.9 | 178.7 | 71.9 | -11.6 | 0 | 0 | 0 | 113.9 | G526 R527 Y529 L547 C554 | G526-N537 WeakPolarHBondContact CA-OD1 3.28Å; R527-N537 PolarHBondContact N-OD1 3.24Å; R527-N537 PolarHBondContact O-N 2.78Å; R527-N537 PolarHBondContact O-OD1 3.43Å; Y529-N537 HydrophobicContact CE1-CB 4.34Å; N537-L547 VanDerWaalsContact O-CD2 3.24Å; N537-L547 WeakPolarHBondContact O-CD2 3.49Å; N537-C554 WeakPolarHBondContact O-CB 3.32Å |
| 538 | Y | 86.3 | Confident | 85 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -138.1 | -5.9 | -173 | 59.1 | -102.2 | 0 | 0 | 0 | 115.6 | S523 Y525 G526 I528 D536 C540 R542 L547 | S523-Y538 WeakPolarHBondContact CB-OH 3.44Å; S523-Y538 WeakPolarHBondContact OG-CE1 2.9Å; S523-Y538 VanDerWaalsContact OG-CZ 3.23Å; S523-Y538 PolarHBondContact OG-OH 3.28Å; Y525-Y538 WeakPolarHBondContact O-CB 3.43Å; G526-Y538 VanDerWaalsContact CA-CD1 3.44Å; I528-Y538 VanDerWaalsContact CD1-OH 3.24Å; I528-Y538 WeakPolarHBondContact CD1-OH 3.44Å; I528-Y538 HydrophobicContact CG1-CE1 3.95Å; I528-Y538 WeakPolarHBondContact CG1-OH 3.46Å; D536-Y538 HydrophobicContact CB-CD1 4.01Å; D536-Y538 HydrophobicContact CB-CE1 3.67Å; D536-Y538 HydrophobicContact CB-CE2 4.36Å; D536-Y538 PolarHBondContact OD1-N 2.8Å; Y538-C540 VanDerWaalsContact C-N 3.34Å; Y538-R542 PolarHBondContact O-NH1 2.96Å; Y538-R542 PolarHBondContact O-NH2 2.81Å; Y538-L547 WeakPolarHBondContact O-CD1 3.21Å |
| 539 | S | 88.2 | Confident | 85.2 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 49% | 0.49 | 31% | 0.307 | S | S | . | . | trans | -89.6 | 3.5 | 179.2 | -63 | 0 | 0 | 0 | 0 | 113.2 | D536 | D536-S539 WeakPolarHBondContact OD1-CA 3.33Å; D536-S539 WeakPolarHBondContact OD1-CB 3.29Å; D536-S539 PolarHBondContact OD1-N 2.89Å; D536-S539 PolarHBondContact OD1-OG 2.01Å; D536-S539 WeakPolarHBondContact OD2-CB 3.28Å; D536-S539 PolarHBondContact OD2-OG 2.68Å | ||
| 540 | C | 90.3 | Very high | 85.6 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -66.3 | 165 | 171.9 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | Y538 L547 C554 G557 K558 C559 | Y538-C540 VanDerWaalsContact C-N 3.34Å; C540-L547 HydrophobicContact CB-CD1 3.95Å; C540-L547 HydrophobicContact CB-CG 4.47Å; C540-L547 WeakPolarHBondContact O-CD1 3.39Å; C540-C554 HydrophobicContact CB-CB 3.71Å; C540-C554 WeakPolarHBondContact CB-SG 3.45Å; C540-C554 PolarHBondContact N-SG 3.24Å; C540-C554 WeakPolarHBondContact SG-CA 3.34Å; C540-C554 WeakPolarHBondContact SG-CB 3.38Å; C540-C554 CovalentContact SG-SG 2.02Å; C540-C554 PolarHBondContact SG-SG 3.41Å; C540-G557 VanDerWaalsContact SG-C 3.51Å; C540-K558 VanDerWaalsContact SG-C 3.53Å; C540-K558 PolarHBondContact SG-N 2.78Å; C540-K558 VanDerWaalsContact SG-N 3.39Å; C540-K558 PolarHBondContact SG-O 3.02Å; C540-C559 VanDerWaalsContact CB-SG 3.6Å |
| 541 | V | 89.4 | Confident | 86.2 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -61.6 | 143.5 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | C548 E568 Y569 | V541-C548 PolarHBondContact O-N 3.25Å; V541-E568 HydrophobicContact CG2-CG 4.44Å; V541-E568 VanDerWaalsContact CG2-O 3.28Å; V541-E568 WeakPolarHBondContact CG2-O 3.4Å; V541-Y569 HydrophobicContact CB-CD1 3.76Å; V541-Y569 HydrophobicContact CB-CE1 3.57Å; V541-Y569 HydrophobicContact CB-CG 4.4Å; V541-Y569 HydrophobicContact CG1-CE1 4.25Å; V541-Y569 HydrophobicContact CG2-CD1 3.73Å; V541-Y569 HydrophobicContact CG2-CD2 4.34Å; V541-Y569 HydrophobicContact CG2-CE1 4.01Å; V541-Y569 HydrophobicContact CG2-CG 3.91Å | ||
| 542 | R | 89.6 | Confident | 86.7 | Confident | 117 Ų | 117 | 53.7 Ų | 53.7 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 142.2 | 179.8 | -72.1 | 177.8 | 173.3 | 73.8 | 0.3 | 111.4 | Y538 E546 L547 Y569 | Y538-R542 PolarHBondContact O-NH1 2.96Å; Y538-R542 PolarHBondContact O-NH2 2.81Å; R542-E546 CarbonylContact C-O 3.6Å; R542-E546 WeakPolarHBondContact CA-O 3.36Å; R542-L547 HydrophobicContact CG-CD1 4.08Å; R542-Y569 WeakPolarHBondContact O-CD1 3.25Å; R542-Y569 WeakPolarHBondContact O-CE1 3.38Å |
| 543 | F | 82.5 | Confident | 87.1 | Confident | 71 Ų | 71 | 57 Ų | 57 | 31% | 0.311 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.4 | 171.6 | -177.7 | -104.4 | 0 | 0 | 0 | 109.5 | G545 E546 Y569 N571 | F543-G545 PolarHBondContact O-N 2.93Å; F543-E546 PolarHBondContact N-O 3.14Å; F543-E546 PolarHBondContact O-N 3.02Å; F543-E546 VanDerWaalsContact O-N 3.07Å; F543-Y569 HydrophobicContact CB-CD1 4.22Å; F543-N571 HydrophobicContact CB-CB 4.16Å; F543-N571 HydrophobicContact CD1-CB 3.47Å; F543-N571 VanDerWaalsContact CD1-CB 3.47Å; F543-N571 HydrophobicContact CD2-CB 4.16Å; F543-N571 WeakPolarHBondContact CD2-ND2 3.41Å; F543-N571 HydrophobicContact CE1-CB 3.79Å; F543-N571 HydrophobicContact CE2-CB 4.45Å; F543-N571 WeakPolarHBondContact CE2-ND2 3.46Å; F543-N571 HydrophobicContact CG-CB 3.66Å; F543-N571 HydrophobicContact CZ-CB 4.27Å; F543-N571 WeakPolarHBondContact CZ-ND2 3.35Å |
| 544 | R | 81.8 | Confident | 87.2 | Confident | 220 Ų | 220 | 57.5 Ų | 57.5 | 83% | 0.83 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.9 | -175.4 | -63.1 | -177.7 | 171.3 | 176.3 | -1.2 | 114.4 | E546 | R544-E546 VanDerWaalsContact C-N 3.3Å; R544-E546 PolarHBondContact O-N 2.73Å |
| 545 | G | 81.9 | Confident | 87.4 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 63% | 0.629 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -17.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F543 | F543-G545 PolarHBondContact O-N 2.93Š|
| 546 | E | 87.5 | Confident | 87.4 | Confident | 119 Ų | 119 | 59.1 Ų | 59.1 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134.3 | -178.9 | -65.3 | -64.7 | 165.9 | 0 | 0 | 112.2 | R542 F543 R544 G549 | R542-E546 CarbonylContact C-O 3.6Å; R542-E546 WeakPolarHBondContact CA-O 3.36Å; F543-E546 PolarHBondContact N-O 3.14Å; F543-E546 PolarHBondContact O-N 3.02Å; F543-E546 VanDerWaalsContact O-N 3.07Å; R544-E546 VanDerWaalsContact C-N 3.3Å; R544-E546 PolarHBondContact O-N 2.73Å; E546-G549 PolarHBondContact O-N 3.33Å |
| 547 | L | 88.3 | Confident | 87.2 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 128.8 | 177 | -169.2 | 73.7 | 0 | 0 | 0 | 110.2 | N537 Y538 C540 R542 G549 G550 C554 | N537-L547 VanDerWaalsContact O-CD2 3.24Å; N537-L547 WeakPolarHBondContact O-CD2 3.49Å; Y538-L547 WeakPolarHBondContact O-CD1 3.21Å; C540-L547 HydrophobicContact CB-CD1 3.95Å; C540-L547 HydrophobicContact CB-CG 4.47Å; C540-L547 WeakPolarHBondContact O-CD1 3.39Å; R542-L547 HydrophobicContact CG-CD1 4.08Å; L547-G549 PolarHBondContact O-N 2.9Å; L547-G549 VanDerWaalsContact O-N 3.07Å; L547-G550 PolarHBondContact O-N 3.47Å; L547-C554 HydrophobicContact CD2-CB 3.66Å; L547-C554 HydrophobicContact CG-CB 4.18Å |
| 548 | C | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | 49.4 | 34.4 | -173.5 | -57.6 | 0 | 0 | 0 | 0 | 113 | V541 G550 H551 C559 Y569 C570 | V541-C548 PolarHBondContact O-N 3.25Å; C548-G550 PolarHBondContact O-N 3.44Å; C548-H551 PolarHBondContact O-N 3.13Å; C548-H551 VanDerWaalsContact O-N 3.15Å; C548-C559 WeakPolarHBondContact CA-SG 3.34Å; C548-C559 HydrophobicContact CB-CB 3.71Å; C548-C559 WeakPolarHBondContact CB-SG 2.96Å; C548-C559 WeakPolarHBondContact SG-CA 2.98Å; C548-C559 WeakPolarHBondContact SG-CB 3.31Å; C548-C559 CovalentContact SG-SG 2.04Å; C548-C559 PolarHBondContact SG-SG 3.14Å; C548-Y569 CarbonylContact C-O 3.49Å; C548-C570 WeakPolarHBondContact O-CB 3.37Å |
| 549 | G | 85.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | 61 | 14.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | E546 L547 H551 Y569 | E546-G549 PolarHBondContact O-N 3.33Å; L547-G549 PolarHBondContact O-N 2.9Å; L547-G549 VanDerWaalsContact O-N 3.07Å; G549-H551 PolarHBondContact O-CD2 3.44Å; G549-H551 PolarHBondContact O-N 3.45Å; G549-Y569 PolarHBondContact N-O 2.77Å |
| 550 | G | 88.3 | Confident | 87.8 | Confident | 43 Ų | 43 | 66 Ų | 66 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | 74.5 | 7.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L547 C548 | L547-G550 PolarHBondContact O-N 3.47Å; C548-G550 PolarHBondContact O-N 3.44Å |
| 551 | H | 89.5 | Confident | 87.7 | Confident | 62 Ų | 62 | 68 Ų | 68 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -132.2 | 31 | -173.3 | -57.6 | -52.4 | 0 | 0 | 0 | 112.5 | C548 G549 E562 W565 | C548-H551 PolarHBondContact O-N 3.13Å; C548-H551 VanDerWaalsContact O-N 3.15Å; G549-H551 PolarHBondContact O-CD2 3.44Å; G549-H551 PolarHBondContact O-N 3.45Å; H551-E562 WeakPolarHBondContact O-CB 3.47Å; H551-E562 PolarHBondContact O-N 3.27Å; H551-W565 HydrophobicContact CB-CB 4.12Å; H551-W565 HydrophobicContact CB-CD2 3.63Å; H551-W565 HydrophobicContact CB-CE3 4.19Å; H551-W565 HydrophobicContact CB-CG 3.56Å; H551-W565 AromaticContact CD2-CD2 3.61Å; H551-W565 AromaticContact CD2-CE2 3.51Å; H551-W565 AromaticContact CD2-CE3 3.55Å; H551-W565 AromaticContact CD2-CH2 3.34Å; H551-W565 WeakPolarHBondContact CD2-CH2 3.47Å; H551-W565 AromaticContact CD2-CZ2 3.4Å; H551-W565 VanDerWaalsContact CD2-CZ2 3.4Å; H551-W565 WeakPolarHBondContact CD2-CZ2 3.03Å; H551-W565 AromaticContact CD2-CZ3 3.41Å; H551-W565 VanDerWaalsContact CD2-CZ3 3.41Å; H551-W565 WeakPolarHBondContact CD2-CZ3 3.46Å; H551-W565 AromaticContact CE1-CE2 3.98Å; H551-W565 AromaticContact CE1-CZ2 3.57Å; H551-W565 AromaticContact CG-CD2 3.59Å; H551-W565 AromaticContact CG-CE2 3.41Å; H551-W565 VanDerWaalsContact CG-CE2 3.41Å; H551-W565 AromaticContact CG-CZ2 3.71Å; H551-W565 AromaticContact CG-NE1 3.69Å; H551-W565 AromaticContact ND1-CE2 3.72Å; H551-W565 AromaticContact ND1-CZ2 3.81Å; H551-W565 AromaticContact ND1-NE1 3.79Å; H551-W565 AromaticContact NE2-CE2 3.87Å; H551-W565 AromaticContact NE2-CH2 3.26Å; H551-W565 VanDerWaalsContact NE2-CH2 3.26Å; H551-W565 WeakPolarHBondContact NE2-CH2 3.44Å; H551-W565 AromaticContact NE2-CZ2 3.3Å; H551-W565 VanDerWaalsContact NE2-CZ2 3.3Å; H551-W565 WeakPolarHBondContact NE2-CZ2 3.46Å; H551-W565 AromaticContact NE2-CZ3 3.83Å |
| 552 | G | 88.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 157.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H560 | G552-H560 CarbonylContact C-O 3.58Å; G552-H560 WeakPolarHBondContact CA-O 3.33Å |
| 553 | V | 89.8 | Confident | 87.5 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.8 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | H560 | V553-H560 PolarHBondContact N-O 2.85Å; V553-H560 PolarHBondContact O-N 3.26Å |
| 554 | C | 88.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.3 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | N537 C540 L547 | N537-C554 WeakPolarHBondContact O-CB 3.32Å; C540-C554 HydrophobicContact CB-CB 3.71Å; C540-C554 WeakPolarHBondContact CB-SG 3.45Å; C540-C554 PolarHBondContact N-SG 3.24Å; C540-C554 WeakPolarHBondContact SG-CA 3.34Å; C540-C554 WeakPolarHBondContact SG-CB 3.38Å; C540-C554 CovalentContact SG-SG 2.02Å; C540-C554 PolarHBondContact SG-SG 3.41Å; L547-C554 HydrophobicContact CD2-CB 3.66Å; L547-C554 HydrophobicContact CG-CB 4.18Å |
| 555 | D | 88.3 | Confident | 87.8 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 115.2 | 173.2 | -174.7 | 12.5 | 0 | 0 | 0 | 109.4 | Y529 G557 K558 | Y529-D555 PolarHBondContact OH-OD1 2.75Å; D555-G557 VanDerWaalsContact C-N 3.31Å; D555-G557 PolarHBondContact O-N 2.96Å; D555-K558 PolarHBondContact N-O 3.03Å; D555-K558 PolarHBondContact O-N 3.09Å |
| 556 | C | 87.3 | Confident | 87.9 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44 | 52.1 | 176.4 | -155 | 0 | 0 | 0 | 0 | 113.7 | Y529 C535 D536 | Y529-C556 PolarHBondContact OH-N 3.09Å; C535-C556 VanDerWaalsContact CA-SG 3.59Å; C535-C556 HydrophobicContact CB-CB 3.74Å; C535-C556 WeakPolarHBondContact CB-SG 3.01Å; C535-C556 WeakPolarHBondContact SG-CB 3.09Å; C535-C556 CovalentContact SG-SG 2.05Å; C535-C556 PolarHBondContact SG-SG 3.33Å; D536-C556 PolarHBondContact O-N 3.5Å |
| 557 | G | 84.2 | Confident | 87.9 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 5.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C540 D555 | C540-G557 VanDerWaalsContact SG-C 3.51Å; D555-G557 VanDerWaalsContact C-N 3.31Å; D555-G557 PolarHBondContact O-N 2.96Å |
| 558 | K | 89.6 | Confident | 87.9 | Confident | 149 Ų | 149 | 65 Ų | 65 | 65% | 0.648 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.8 | 175 | -69.1 | -179.7 | -176.3 | 170.9 | 0 | 112.4 | C540 D555 | C540-K558 VanDerWaalsContact SG-C 3.53Å; C540-K558 PolarHBondContact SG-N 2.78Å; C540-K558 VanDerWaalsContact SG-N 3.39Å; C540-K558 PolarHBondContact SG-O 3.02Å; D555-K558 PolarHBondContact N-O 3.03Å; D555-K558 PolarHBondContact O-N 3.09Å |
| 559 | C | 91.4 | Very high | 87.8 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119.8 | 173.3 | -70.1 | 0 | 0 | 0 | 0 | 111 | C540 C548 | C540-C559 VanDerWaalsContact CB-SG 3.6Å; C548-C559 WeakPolarHBondContact CA-SG 3.34Å; C548-C559 HydrophobicContact CB-CB 3.71Å; C548-C559 WeakPolarHBondContact CB-SG 2.96Å; C548-C559 WeakPolarHBondContact SG-CA 2.98Å; C548-C559 WeakPolarHBondContact SG-CB 3.31Å; C548-C559 CovalentContact SG-SG 2.04Å; C548-C559 PolarHBondContact SG-SG 3.14Å |
| 560 | H | 91.2 | Very high | 88.1 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 49% | 0.486 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 98.8 | 171 | -67.4 | -75.5 | 0 | 0 | 0 | 109.4 | G552 V553 | G552-H560 CarbonylContact C-O 3.58Å; G552-H560 WeakPolarHBondContact CA-O 3.33Å; V553-H560 PolarHBondContact N-O 2.85Å; V553-H560 PolarHBondContact O-N 3.26Å |
| 561 | C | 89.9 | Confident | 88 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 141.3 | -175.2 | -50.2 | 0 | 0 | 0 | 0 | 112.6 | W565 G567 C570 | C561-W565 HydrophobicContact CB-CB 4.33Å; C561-W565 WeakPolarHBondContact CB-O 2.98Å; C561-G567 PolarHBondContact SG-O 2.87Å; C561-C570 WeakPolarHBondContact CA-SG 3.05Å; C561-C570 HydrophobicContact CB-CB 3.7Å; C561-C570 WeakPolarHBondContact CB-SG 3.46Å; C561-C570 PolarHBondContact N-SG 3.27Å; C561-C570 WeakPolarHBondContact SG-CA 3.5Å; C561-C570 WeakPolarHBondContact SG-CB 2.99Å; C561-C570 CovalentContact SG-SG 2.03Å; C561-C570 PolarHBondContact SG-SG 2.89Å |
| 562 | E | 88.9 | Confident | 87.9 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 160.8 | 173.5 | -67.4 | 175.8 | -178.1 | 0 | 0 | 111.7 | H551 G564 W565 | H551-E562 WeakPolarHBondContact O-CB 3.47Å; H551-E562 PolarHBondContact O-N 3.27Å; E562-G564 PolarHBondContact O-N 3.31Å; E562-W565 PolarHBondContact O-N 2.83Å |
| 563 | T | 85.8 | Confident | 87.6 | Confident | 150 Ų | 150 | 68 Ų | 68 | 92% | 0.92 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 123 | -177.7 | -31.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 564 | G | 82.1 | Confident | 87.2 | Confident | 31 Ų | 31 | 67 Ų | 67 | 32% | 0.32 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | -7.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E562 S574 | E562-G564 PolarHBondContact O-N 3.31Å; G564-S574 VanDerWaalsContact CA-OG 3.24Å; G564-S574 WeakPolarHBondContact CA-OG 3.04Å; G564-S574 PolarHBondContact O-N 3.13Å; G564-S574 PolarHBondContact O-OG 2.85Å |
| 565 | W | 87.1 | Confident | 86.7 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 27% | 0.265 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.2 | 178.1 | -63.7 | 92.1 | 0 | 0 | 0 | 112 | H551 C561 E562 C572 | H551-W565 HydrophobicContact CB-CB 4.12Å; H551-W565 HydrophobicContact CB-CD2 3.63Å; H551-W565 HydrophobicContact CB-CE3 4.19Å; H551-W565 HydrophobicContact CB-CG 3.56Å; H551-W565 AromaticContact CD2-CD2 3.61Å; H551-W565 AromaticContact CD2-CE2 3.51Å; H551-W565 AromaticContact CD2-CE3 3.55Å; H551-W565 AromaticContact CD2-CH2 3.34Å; H551-W565 WeakPolarHBondContact CD2-CH2 3.47Å; H551-W565 AromaticContact CD2-CZ2 3.4Å; H551-W565 VanDerWaalsContact CD2-CZ2 3.4Å; H551-W565 WeakPolarHBondContact CD2-CZ2 3.03Å; H551-W565 AromaticContact CD2-CZ3 3.41Å; H551-W565 VanDerWaalsContact CD2-CZ3 3.41Å; H551-W565 WeakPolarHBondContact CD2-CZ3 3.46Å; H551-W565 AromaticContact CE1-CE2 3.98Å; H551-W565 AromaticContact CE1-CZ2 3.57Å; H551-W565 AromaticContact CG-CD2 3.59Å; H551-W565 AromaticContact CG-CE2 3.41Å; H551-W565 VanDerWaalsContact CG-CE2 3.41Å; H551-W565 AromaticContact CG-CZ2 3.71Å; H551-W565 AromaticContact CG-NE1 3.69Å; H551-W565 AromaticContact ND1-CE2 3.72Å; H551-W565 AromaticContact ND1-CZ2 3.81Å; H551-W565 AromaticContact ND1-NE1 3.79Å; H551-W565 AromaticContact NE2-CE2 3.87Å; H551-W565 AromaticContact NE2-CH2 3.26Å; H551-W565 VanDerWaalsContact NE2-CH2 3.26Å; H551-W565 WeakPolarHBondContact NE2-CH2 3.44Å; H551-W565 AromaticContact NE2-CZ2 3.3Å; H551-W565 VanDerWaalsContact NE2-CZ2 3.3Å; H551-W565 WeakPolarHBondContact NE2-CZ2 3.46Å; H551-W565 AromaticContact NE2-CZ3 3.83Å; C561-W565 HydrophobicContact CB-CB 4.33Å; C561-W565 WeakPolarHBondContact CB-O 2.98Å; E562-W565 PolarHBondContact O-N 2.83Å; W565-C572 WeakPolarHBondContact CA-O 3.19Å |
| 566 | T | 85.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 165.7 | -173.7 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | C572 | T566-C572 PolarHBondContact N-O 3.25Å; T566-C572 WeakPolarHBondContact O-CB 3.4Å; T566-C572 PolarHBondContact O-N 3.36Å; T566-C572 PolarHBondContact OG1-O 3.11Å |
| 567 | G | 86.4 | Confident | 86 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 96.8 | 161.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C561 Y569 C570 | C561-G567 PolarHBondContact SG-O 2.87Å; G567-Y569 PolarHBondContact O-N 2.76Å; G567-C570 PolarHBondContact O-N 3.36Å |
| 568 | E | 88.7 | Confident | 85.7 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 68% | 0.682 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29 | -178.5 | -173.1 | 179.9 | -178.4 | 0 | 0 | 112.8 | V541 | V541-E568 HydrophobicContact CG2-CG 4.44Å; V541-E568 VanDerWaalsContact CG2-O 3.28Å; V541-E568 WeakPolarHBondContact CG2-O 3.4Å |
| 569 | Y | 87.8 | Confident | 85.3 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0.2 | 179.3 | -65.4 | -104.1 | 0 | 0 | 0 | 113.3 | V541 R542 F543 C548 G549 G567 N571 | V541-Y569 HydrophobicContact CB-CD1 3.76Å; V541-Y569 HydrophobicContact CB-CE1 3.57Å; V541-Y569 HydrophobicContact CB-CG 4.4Å; V541-Y569 HydrophobicContact CG1-CE1 4.25Å; V541-Y569 HydrophobicContact CG2-CD1 3.73Å; V541-Y569 HydrophobicContact CG2-CD2 4.34Å; V541-Y569 HydrophobicContact CG2-CE1 4.01Å; V541-Y569 HydrophobicContact CG2-CG 3.91Å; R542-Y569 WeakPolarHBondContact O-CD1 3.25Å; R542-Y569 WeakPolarHBondContact O-CE1 3.38Å; F543-Y569 HydrophobicContact CB-CD1 4.22Å; C548-Y569 CarbonylContact C-O 3.49Å; G549-Y569 PolarHBondContact N-O 2.77Å; G567-Y569 PolarHBondContact O-N 2.76Å; Y569-N571 PolarHBondContact O-N 3.25Å |
| 570 | C | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 40% | 0.395 | C | S | . | . | S | Bend | trans | 49.4 | 26.5 | -171.7 | -51.5 | 0 | 0 | 0 | 0 | 115 | C548 C561 G567 | C548-C570 WeakPolarHBondContact O-CB 3.37Å; C561-C570 WeakPolarHBondContact CA-SG 3.05Å; C561-C570 HydrophobicContact CB-CB 3.7Å; C561-C570 WeakPolarHBondContact CB-SG 3.46Å; C561-C570 PolarHBondContact N-SG 3.27Å; C561-C570 WeakPolarHBondContact SG-CA 3.5Å; C561-C570 WeakPolarHBondContact SG-CB 2.99Å; C561-C570 CovalentContact SG-SG 2.03Å; C561-C570 PolarHBondContact SG-SG 2.89Å; G567-C570 PolarHBondContact O-N 3.36Å |
| 571 | N | 87.4 | Confident | 84.3 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.283 | 38% | 0.376 | S | S | . | . | trans | -92.8 | -8 | -175.4 | 68.1 | -31.2 | 0 | 0 | 0 | 113.6 | F543 Y569 | F543-N571 HydrophobicContact CB-CB 4.16Å; F543-N571 HydrophobicContact CD1-CB 3.47Å; F543-N571 VanDerWaalsContact CD1-CB 3.47Å; F543-N571 HydrophobicContact CD2-CB 4.16Å; F543-N571 WeakPolarHBondContact CD2-ND2 3.41Å; F543-N571 HydrophobicContact CE1-CB 3.79Å; F543-N571 HydrophobicContact CE2-CB 4.45Å; F543-N571 WeakPolarHBondContact CE2-ND2 3.46Å; F543-N571 HydrophobicContact CG-CB 3.66Å; F543-N571 HydrophobicContact CZ-CB 4.27Å; F543-N571 WeakPolarHBondContact CZ-ND2 3.35Å; Y569-N571 PolarHBondContact O-N 3.25Å | ||
| 572 | C | 86.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 106.9 | -175.6 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | W565 T566 C595 | W565-C572 WeakPolarHBondContact CA-O 3.19Å; T566-C572 PolarHBondContact N-O 3.25Å; T566-C572 WeakPolarHBondContact O-CB 3.4Å; T566-C572 PolarHBondContact O-N 3.36Å; T566-C572 PolarHBondContact OG1-O 3.11Å; C572-C595 HydrophobicContact CB-CB 3.88Å; C572-C595 WeakPolarHBondContact CB-SG 3Å; C572-C595 WeakPolarHBondContact SG-CA 3.27Å; C572-C595 WeakPolarHBondContact SG-CB 3.45Å; C572-C595 CovalentContact SG-SG 2.04Å; C572-C595 PolarHBondContact SG-SG 3.32Å |
| 573 | S | 84.1 | Confident | 82.4 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 18% | 0.175 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 133.2 | 172.7 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | S575 C595 | S573-S575 VanDerWaalsContact C-N 3.33Å; S573-S575 PolarHBondContact OG-N 2.87Å; S573-C595 WeakPolarHBondContact O-CA 2.95Å |
| 574 | S | 79.8 | Confident | 81.8 | Confident | 77 Ų | 77 | 70 Ų | 70 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | trans | -85.9 | -5.4 | 172.1 | 61.4 | 0 | 0 | 0 | 0 | 113 | G564 | G564-S574 VanDerWaalsContact CA-OG 3.24Å; G564-S574 WeakPolarHBondContact CA-OG 3.04Å; G564-S574 PolarHBondContact O-N 3.13Å; G564-S574 PolarHBondContact O-OG 2.85Å | ||
| 575 | S | 79.5 | Confident | 81.7 | Confident | 45 Ų | 45 | 70.5 Ų | 70.5 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | trans | -79.8 | 138.8 | 176.3 | -179 | 0 | 0 | 0 | 0 | 111.8 | S573 E577 | S573-S575 VanDerWaalsContact C-N 3.33Å; S573-S575 PolarHBondContact OG-N 2.87Å; S575-E577 PolarHBondContact OG-N 2.93Å | ||
| 576 | T | 80.7 | Confident | 81.4 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | trans | -99.5 | 0.6 | 174.9 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | A578 C579 L586 | T576-A578 PolarHBondContact O-N 2.78Å; T576-C579 WeakPolarHBondContact O-CB 3.25Å; T576-C579 PolarHBondContact O-N 3.31Å; T576-C579 VanDerWaalsContact O-N 3.14Å; T576-L586 HydrophobicContact CG2-CD1 4.36Å | ||
| 577 | E | 80 | Confident | 81.4 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 66% | 0.659 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -63.2 | -44.5 | -175.2 | -69.2 | -178.9 | 164.9 | 0 | 0 | 112.9 | S575 C579 M580 | S575-E577 PolarHBondContact OG-N 2.93Å; E577-C579 PolarHBondContact O-N 3.28Å; E577-C579 VanDerWaalsContact O-N 3.13Å; E577-M580 HydrophobicContact CB-CE 4.31Å; E577-M580 HydrophobicContact CG-CE 3.92Å; E577-M580 WeakPolarHBondContact O-CB 3.35Å; E577-M580 PolarHBondContact O-N 3.29Å |
| 578 | A | 76.8 | Confident | 81.3 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -60.6 | -23.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T576 G596 K609 | T576-A578 PolarHBondContact O-N 2.78Å; A578-G596 WeakPolarHBondContact CB-O 3.38Å; A578-K609 WeakPolarHBondContact O-CE 3.14Å |
| 579 | C | 82.4 | Confident | 81 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -88.6 | -3.8 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 114 | T576 E577 L586 C587 C593 G596 Q597 C598 | T576-C579 WeakPolarHBondContact O-CB 3.25Å; T576-C579 PolarHBondContact O-N 3.31Å; T576-C579 VanDerWaalsContact O-N 3.14Å; E577-C579 PolarHBondContact O-N 3.28Å; E577-C579 VanDerWaalsContact O-N 3.13Å; C579-L586 HydrophobicContact CB-CD1 3.8Å; C579-L586 HydrophobicContact CB-CG 4.23Å; C579-C587 PolarHBondContact O-N 2.9Å; C579-C593 HydrophobicContact CB-CB 3.48Å; C579-C593 VanDerWaalsContact CB-CB 3.48Å; C579-C593 WeakPolarHBondContact CB-SG 2.99Å; C579-C593 WeakPolarHBondContact SG-CB 3.45Å; C579-C593 CovalentContact SG-SG 2.03Å; C579-C593 PolarHBondContact SG-SG 3.46Å; C579-G596 PolarHBondContact SG-O 3.49Å; C579-G596 VanDerWaalsContact SG-O 3.39Å; C579-Q597 VanDerWaalsContact SG-C 3.58Å; C579-C598 VanDerWaalsContact CB-SG 3.57Å |
| 580 | M | 83.5 | Confident | 80.8 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 40% | 0.404 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -80.4 | 124.8 | -179.4 | -72.9 | -162.4 | -104.8 | 0 | 0 | 111.7 | E577 L586 K609 | E577-M580 HydrophobicContact CB-CE 4.31Å; E577-M580 HydrophobicContact CG-CE 3.92Å; E577-M580 WeakPolarHBondContact O-CB 3.35Å; E577-M580 PolarHBondContact O-N 3.29Å; M580-L586 HydrophobicContact CG-CD1 4.45Å; M580-K609 VanDerWaalsContact O-CD 3.29Å; M580-K609 WeakPolarHBondContact O-CD 3.48Å; M580-K609 WeakPolarHBondContact O-CE 3.31Å; M580-K609 PolarHBondContact O-NZ 3.39Å |
| 581 | S | 77.6 | Confident | 80.6 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | trans | -75 | 163.4 | 173.8 | 63 | 0 | 0 | 0 | 0 | 112.2 | N583 G584 S585 | S581-N583 PolarHBondContact O-N 3.2Å; S581-N583 VanDerWaalsContact O-N 3.13Å; S581-G584 PolarHBondContact O-N 2.98Å; S581-S585 WeakPolarHBondContact CB-O 3.47Å; S581-S585 PolarHBondContact N-O 2.01Å; S581-S585 PolarHBondContact OG-N 2.94Å; S581-S585 PolarHBondContact OG-O 3.42Å; S581-S585 PolarHBondContact OG-OG 3.23Å | ||
| 582 | E | 75 | Confident | 80.7 | Confident | 200 Ų | 200 | 68.3 Ų | 68.3 | 94% | 0.935 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.1 | 176.4 | -65.9 | -172.7 | 161.5 | 0 | 0 | 113 | G584 | E582-G584 PolarHBondContact O-N 2.86Š|
| 583 | N | 64.5 | Low | 80.7 | Confident | 152 Ų | 152 | 68.7 Ų | 68.7 | 81% | 0.813 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 9.3 | 176.2 | -64.2 | -23.2 | 0 | 0 | 0 | 113.1 | S581 S585 | S581-N583 PolarHBondContact O-N 3.2Å; S581-N583 VanDerWaalsContact O-N 3.13Å; N583-S585 VanDerWaalsContact C-N 3.25Å; N583-S585 PolarHBondContact O-N 3.29Å |
| 584 | G | 73.2 | Confident | 80.9 | Confident | 60 Ų | 60 | 72 Ų | 72 | 62% | 0.619 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 73.8 | 7.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S581 E582 | S581-G584 PolarHBondContact O-N 2.98Å; E582-G584 PolarHBondContact O-N 2.86Å |
| 585 | S | 79.4 | Confident | 81.1 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | trans | -100.2 | 139.5 | -180 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | S581 N583 C587 S588 | S581-S585 WeakPolarHBondContact CB-O 3.47Å; S581-S585 PolarHBondContact N-O 2.01Å; S581-S585 PolarHBondContact OG-N 2.94Å; S581-S585 PolarHBondContact OG-O 3.42Å; S581-S585 PolarHBondContact OG-OG 3.23Å; N583-S585 VanDerWaalsContact C-N 3.25Å; N583-S585 PolarHBondContact O-N 3.29Å; S585-C587 PolarHBondContact O-N 3.2Å; S585-S588 PolarHBondContact O-N 2.99Å; S585-S588 WeakPolarHBondContact OG-CA 3.49Å | ||
| 586 | L | 81.3 | Confident | 81.1 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 122.6 | 177.9 | -162.2 | 86 | 0 | 0 | 0 | 109.8 | T576 C579 M580 S588 G589 C593 | T576-L586 HydrophobicContact CG2-CD1 4.36Å; C579-L586 HydrophobicContact CB-CD1 3.8Å; C579-L586 HydrophobicContact CB-CG 4.23Å; M580-L586 HydrophobicContact CG-CD1 4.45Å; L586-S588 PolarHBondContact O-N 2.01Å; L586-G589 PolarHBondContact O-N 2.68Å; L586-C593 HydrophobicContact CD1-CB 4.11Å; L586-C593 HydrophobicContact CD2-CB 3.75Å; L586-C593 HydrophobicContact CG-CB 4.03Å |
| 587 | C | 85.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | 51.6 | 38.4 | -178.2 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | C579 S585 G589 R590 C598 K609 | C579-C587 PolarHBondContact O-N 2.9Å; S585-C587 PolarHBondContact O-N 3.2Å; C587-G589 PolarHBondContact O-N 3.41Å; C587-R590 PolarHBondContact O-N 2.94Å; C587-C598 WeakPolarHBondContact CA-SG 3.37Å; C587-C598 HydrophobicContact CB-CB 3.58Å; C587-C598 WeakPolarHBondContact CB-SG 2.94Å; C587-C598 WeakPolarHBondContact SG-CA 2.98Å; C587-C598 WeakPolarHBondContact SG-CB 3.45Å; C587-C598 CovalentContact SG-SG 2.02Å; C587-C598 PolarHBondContact SG-SG 2.85Å; C587-K609 CarbonylContact C-O 3.56Å; C587-K609 WeakPolarHBondContact CA-O 3.2Å |
| 588 | S | 83.1 | Confident | 81.7 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 21% | 0.21 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | 55 | 22.1 | -177.5 | -49.9 | 0 | 0 | 0 | 0 | 113.7 | S585 L586 R590 K609 | S585-S588 PolarHBondContact O-N 2.99Å; S585-S588 WeakPolarHBondContact OG-CA 3.49Å; L586-S588 PolarHBondContact O-N 2.01Å; S588-R590 PolarHBondContact O-N 3.24Å; S588-K609 WeakPolarHBondContact CB-O 3.27Å; S588-K609 PolarHBondContact N-O 3.3Å; S588-K609 PolarHBondContact OG-O 3.16Å |
| 589 | G | 82.2 | Confident | 82.2 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 67% | 0.67 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | 70.4 | 8.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | L586 C587 | L586-G589 PolarHBondContact O-N 2.68Å; C587-G589 PolarHBondContact O-N 3.41Å |
| 590 | R | 83.7 | Confident | 82.4 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -113.8 | 8.5 | -171.9 | -64.2 | 175.1 | -173.6 | -169.3 | -0.8 | 113.3 | C587 S588 S601 V602 C610 | C587-R590 PolarHBondContact O-N 2.94Å; S588-R590 PolarHBondContact O-N 3.24Å; R590-S601 PolarHBondContact O-N 3.05Å; R590-S601 PolarHBondContact O-OG 3.48Å; R590-V602 HydrophobicContact CB-CB 4.34Å; R590-V602 HydrophobicContact CB-CG2 3.89Å; R590-V602 HydrophobicContact CG-CG2 4.16Å; R590-V602 PolarHBondContact O-N 3.35Å; R590-C610 HydrophobicContact CB-CB 4.08Å |
| 591 | G | 87 | Confident | 82.3 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I599 | G591-I599 CarbonylContact C-O 3.56Å; G591-I599 WeakPolarHBondContact CA-O 3.44Å |
| 592 | K | 89.1 | Confident | 82.4 | Confident | 162 Ų | 162 | 72.5 Ų | 72.5 | 70% | 0.704 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 173.8 | -65.2 | -176.4 | -179.3 | -179.9 | 0 | 109.9 | I599 | K592-I599 PolarHBondContact N-O 2.01Å; K592-I599 PolarHBondContact O-N 3.22Å |
| 593 | C | 86.8 | Confident | 82.2 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.4 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | C579 L586 Q597 | C579-C593 HydrophobicContact CB-CB 3.48Å; C579-C593 VanDerWaalsContact CB-CB 3.48Å; C579-C593 WeakPolarHBondContact CB-SG 2.99Å; C579-C593 WeakPolarHBondContact SG-CB 3.45Å; C579-C593 CovalentContact SG-SG 2.03Å; C579-C593 PolarHBondContact SG-SG 3.46Å; L586-C593 HydrophobicContact CD1-CB 4.11Å; L586-C593 HydrophobicContact CD2-CB 3.75Å; L586-C593 HydrophobicContact CG-CB 4.03Å; C593-Q597 WeakPolarHBondContact CA-O 3.02Å |
| 594 | N | 87.3 | Confident | 82.4 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.9 | 173.6 | -168.7 | 19.8 | 0 | 0 | 0 | 108.8 | G596 Q597 I599 | N594-G596 VanDerWaalsContact C-N 3.26Å; N594-G596 PolarHBondContact O-N 2.92Å; N594-Q597 PolarHBondContact N-O 3.43Å; N594-Q597 PolarHBondContact O-N 3.5Å; N594-Q597 VanDerWaalsContact O-O 3.13Å; N594-I599 HydrophobicContact CB-CD1 3.7Å; N594-I599 HydrophobicContact CB-CG1 4.33Å |
| 595 | C | 85 | Confident | 82.6 | Confident | 53 Ų | 53 | 60 Ų | 60 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 38.2 | -177.6 | -55.2 | 0 | 0 | 0 | 0 | 114.4 | C572 S573 Q597 | C572-C595 HydrophobicContact CB-CB 3.88Å; C572-C595 WeakPolarHBondContact CB-SG 3Å; C572-C595 WeakPolarHBondContact SG-CA 3.27Å; C572-C595 WeakPolarHBondContact SG-CB 3.45Å; C572-C595 CovalentContact SG-SG 2.04Å; C572-C595 PolarHBondContact SG-SG 3.32Å; S573-C595 WeakPolarHBondContact O-CA 2.95Å; C595-Q597 VanDerWaalsContact C-N 3.29Å; C595-Q597 PolarHBondContact O-N 2.85Å |
| 596 | G | 79.5 | Confident | 82.5 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 4.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A578 C579 N594 | A578-G596 WeakPolarHBondContact CB-O 3.38Å; C579-G596 PolarHBondContact SG-O 3.49Å; C579-G596 VanDerWaalsContact SG-O 3.39Å; N594-G596 VanDerWaalsContact C-N 3.26Å; N594-G596 PolarHBondContact O-N 2.92Å |
| 597 | Q | 85.3 | Confident | 82.4 | Confident | 133 Ų | 133 | 58.5 Ų | 58.5 | 62% | 0.621 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.9 | 177.1 | -168.3 | 174.3 | 6.4 | 0 | 0 | 111.9 | C579 C593 N594 C595 | C579-Q597 VanDerWaalsContact SG-C 3.58Å; C593-Q597 WeakPolarHBondContact CA-O 3.02Å; N594-Q597 PolarHBondContact N-O 3.43Å; N594-Q597 PolarHBondContact O-N 3.5Å; N594-Q597 VanDerWaalsContact O-O 3.13Å; C595-Q597 VanDerWaalsContact C-N 3.29Å; C595-Q597 PolarHBondContact O-N 2.85Å |
| 598 | C | 87.1 | Confident | 82.3 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.074 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.6 | 177.8 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | C579 C587 E608 | C579-C598 VanDerWaalsContact CB-SG 3.57Å; C587-C598 WeakPolarHBondContact CA-SG 3.37Å; C587-C598 HydrophobicContact CB-CB 3.58Å; C587-C598 WeakPolarHBondContact CB-SG 2.94Å; C587-C598 WeakPolarHBondContact SG-CA 2.98Å; C587-C598 WeakPolarHBondContact SG-CB 3.45Å; C587-C598 CovalentContact SG-SG 2.02Å; C587-C598 PolarHBondContact SG-SG 2.85Å; C598-E608 WeakPolarHBondContact CB-O 3.35Å |
| 599 | I | 88.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.5 | 169 | -57 | 177.4 | 0 | 0 | 0 | 107.7 | G591 K592 N594 S601 | G591-I599 CarbonylContact C-O 3.56Å; G591-I599 WeakPolarHBondContact CA-O 3.44Å; K592-I599 PolarHBondContact N-O 2.01Å; K592-I599 PolarHBondContact O-N 3.22Å; N594-I599 HydrophobicContact CB-CD1 3.7Å; N594-I599 HydrophobicContact CB-CG1 4.33Å; I599-S601 PolarHBondContact O-N 3.49Å |
| 600 | C | 86.3 | Confident | 82.4 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 27% | 0.27 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 123.2 | -176.7 | -49.1 | 0 | 0 | 0 | 0 | 111 | A605 C610 | C600-A605 HydrophobicContact CB-CB 4.19Å; C600-C610 WeakPolarHBondContact CA-SG 3.19Å; C600-C610 HydrophobicContact CB-CB 3.92Å; C600-C610 WeakPolarHBondContact CB-SG 3.38Å; C600-C610 PolarHBondContact N-SG 2.94Å; C600-C610 WeakPolarHBondContact SG-CA 3Å; C600-C610 WeakPolarHBondContact SG-CB 3.48Å; C600-C610 CovalentContact SG-SG 2.04Å; C600-C610 PolarHBondContact SG-SG 3.27Å |
| 601 | S | 82.3 | Confident | 82.2 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 64% | 0.643 | 38% | 0.382 | S | S | * | . | trans | -91.9 | -15.4 | 178.2 | 46.5 | 0 | 0 | 0 | 0 | 113 | R590 I599 | R590-S601 PolarHBondContact O-N 3.05Å; R590-S601 PolarHBondContact O-OG 3.48Å; I599-S601 PolarHBondContact O-N 3.49Å | ||
| 602 | V | 77.9 | Confident | 81.5 | Confident | 62 Ų | 62 | 71.4 Ų | 71.4 | 38% | 0.376 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -91.1 | 130.8 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | R590 G604 A605 | R590-V602 HydrophobicContact CB-CB 4.34Å; R590-V602 HydrophobicContact CB-CG2 3.89Å; R590-V602 HydrophobicContact CG-CG2 4.16Å; R590-V602 PolarHBondContact O-N 3.35Å; V602-G604 PolarHBondContact O-N 2.03Å; V602-A605 HydrophobicContact CB-CB 4.12Å; V602-A605 WeakPolarHBondContact O-CB 3.26Å; V602-A605 PolarHBondContact O-N 2.94Å |
| 603 | A | 70.9 | Confident | 80.6 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 77% | 0.769 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 122.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A605 T615 | A603-A605 VanDerWaalsContact C-N 3.32Å; A603-T615 PolarHBondContact O-OG1 3.11Å |
| 604 | G | 70.1 | Confident | 79.4 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 4.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | V602 C613 T615 | V602-G604 PolarHBondContact O-N 2.03Å; G604-C613 VanDerWaalsContact C-SG 3.56Å; G604-C613 PolarHBondContact O-SG 3.23Å; G604-T615 WeakPolarHBondContact CA-OG1 3.26Å |
| 605 | A | 77.2 | Confident | 78 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 12% | 0.116 | 40% | 0.404 | C | S | . | . | trans | -77.7 | 134.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C600 V602 A603 R612 C613 | C600-A605 HydrophobicContact CB-CB 4.19Å; V602-A605 HydrophobicContact CB-CB 4.12Å; V602-A605 WeakPolarHBondContact O-CB 3.26Å; V602-A605 PolarHBondContact O-N 2.94Å; A603-A605 VanDerWaalsContact C-N 3.32Å; A605-R612 CarbonylContact C-O 3.53Å; A605-R612 WeakPolarHBondContact CA-O 3.34Å; A605-C613 HydrophobicContact CB-CB 4.08Å | ||
| 606 | S | 77.7 | Confident | 76.8 | Confident | 58 Ų | 58 | 68 Ų | 68 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -146.4 | 178.4 | -177.3 | 66.7 | 0 | 0 | 0 | 0 | 109.8 | C610 E611 R612 | S606-C610 CarbonylContact O-C 3.58Å; S606-C610 WeakPolarHBondContact O-CA 3.04Å; S606-E611 PolarHBondContact O-N 3.19Å; S606-R612 CarbonylContact C-O 3.29Å; S606-R612 PolarHBondContact N-O 3.15Å; S606-R612 CarbonylContact O-C 3.56Å; S606-R612 WeakPolarHBondContact O-CA 3.44Å; S606-R612 WeakPolarHBondContact O-CB 3.25Å; S606-R612 PolarHBondContact O-N 2.03Å |
| 607 | G | 79.1 | Confident | 75.7 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 95.7 | 162.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K609 C610 E611 | G607-K609 PolarHBondContact O-N 3.22Å; G607-C610 PolarHBondContact O-N 3.05Å; G607-E611 VanDerWaalsContact CA-OE1 3.25Å; G607-E611 WeakPolarHBondContact CA-OE1 2.93Å |
| 608 | E | 82.4 | Confident | 74.6 | Confident | 158 Ų | 158 | 72.2 Ų | 72.2 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -27.4 | -169.5 | -67 | -172.3 | 160.1 | 0 | 0 | 112.9 | C598 E611 | C598-E608 WeakPolarHBondContact CB-O 3.35Å; E608-E611 PolarHBondContact N-OE1 3.4Å; E608-E611 PolarHBondContact N-OE2 3.32Å |
| 609 | K | 85.9 | Confident | 73.3 | Confident | 68 Ų | 68 | 75.4 Ų | 75.4 | 30% | 0.296 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 22.9 | 179.3 | -57 | 179 | -178.7 | -174.3 | 0 | 111.1 | A578 M580 C587 S588 G607 E611 | A578-K609 WeakPolarHBondContact O-CE 3.14Å; M580-K609 VanDerWaalsContact O-CD 3.29Å; M580-K609 WeakPolarHBondContact O-CD 3.48Å; M580-K609 WeakPolarHBondContact O-CE 3.31Å; M580-K609 PolarHBondContact O-NZ 3.39Å; C587-K609 CarbonylContact C-O 3.56Å; C587-K609 WeakPolarHBondContact CA-O 3.2Å; S588-K609 WeakPolarHBondContact CB-O 3.27Å; S588-K609 PolarHBondContact N-O 3.3Å; S588-K609 PolarHBondContact OG-O 3.16Å; G607-K609 PolarHBondContact O-N 3.22Å; K609-E611 VanDerWaalsContact CA-OE2 3.28Å; K609-E611 WeakPolarHBondContact CA-OE2 3.36Å; K609-E611 PolarHBondContact N-OE2 3.11Å; K609-E611 PolarHBondContact O-N 3.37Å |
| 610 | C | 82.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 57.4 | 29.7 | -176.4 | -53 | 0 | 0 | 0 | 0 | 114.3 | R590 C600 S606 G607 | R590-C610 HydrophobicContact CB-CB 4.08Å; C600-C610 WeakPolarHBondContact CA-SG 3.19Å; C600-C610 HydrophobicContact CB-CB 3.92Å; C600-C610 WeakPolarHBondContact CB-SG 3.38Å; C600-C610 PolarHBondContact N-SG 2.94Å; C600-C610 WeakPolarHBondContact SG-CA 3Å; C600-C610 WeakPolarHBondContact SG-CB 3.48Å; C600-C610 CovalentContact SG-SG 2.04Å; C600-C610 PolarHBondContact SG-SG 3.27Å; S606-C610 CarbonylContact O-C 3.58Å; S606-C610 WeakPolarHBondContact O-CA 3.04Å; G607-C610 PolarHBondContact O-N 3.05Å |
| 611 | E | 78.4 | Confident | 71.5 | Confident | 83 Ų | 83 | 73.2 Ų | 73.2 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | trans | -79.8 | -32.7 | -175.2 | 71.9 | -70.9 | 168.5 | 0 | 0 | 112.7 | S606 G607 E608 K609 | S606-E611 PolarHBondContact O-N 3.19Å; G607-E611 VanDerWaalsContact CA-OE1 3.25Å; G607-E611 WeakPolarHBondContact CA-OE1 2.93Å; E608-E611 PolarHBondContact N-OE1 3.4Å; E608-E611 PolarHBondContact N-OE2 3.32Å; K609-E611 VanDerWaalsContact CA-OE2 3.28Å; K609-E611 WeakPolarHBondContact CA-OE2 3.36Å; K609-E611 PolarHBondContact N-OE2 3.11Å; K609-E611 PolarHBondContact O-N 3.37Å | ||
| 612 | R | 73.3 | Confident | 70.9 | Confident | 163 Ų | 163 | 74.6 Ų | 74.6 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | B | Isolated β-bridge | trans | -86.3 | 124.8 | -179.9 | -58.4 | -176.4 | -177.6 | 131.3 | 3.7 | 108.6 | A605 S606 | A605-R612 CarbonylContact C-O 3.53Å; A605-R612 WeakPolarHBondContact CA-O 3.34Å; S606-R612 CarbonylContact C-O 3.29Å; S606-R612 PolarHBondContact N-O 3.15Å; S606-R612 CarbonylContact O-C 3.56Å; S606-R612 WeakPolarHBondContact O-CA 3.44Å; S606-R612 WeakPolarHBondContact O-CB 3.25Å; S606-R612 PolarHBondContact O-N 2.03Å |
| 613 | C | 69.1 | Low | 70.5 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | trans | -148.3 | 85.3 | 173.2 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | G604 A605 T615 C616 | G604-C613 VanDerWaalsContact C-SG 3.56Å; G604-C613 PolarHBondContact O-SG 3.23Å; A605-C613 HydrophobicContact CB-CB 4.08Å; C613-T615 PolarHBondContact O-N 2.68Å; C613-C616 HydrophobicContact CB-CB 3.43Å; C613-C616 VanDerWaalsContact CB-CB 3.43Å; C613-C616 WeakPolarHBondContact CB-SG 3.27Å; C613-C616 WeakPolarHBondContact O-CA 3.47Å; C613-C616 VanDerWaalsContact O-CB 3.31Å; C613-C616 WeakPolarHBondContact O-CB 3.3Å; C613-C616 PolarHBondContact O-N 3.36Å; C613-C616 WeakPolarHBondContact SG-CB 3.4Å; C613-C616 PolarHBondContact SG-N 2.9Å; C613-C616 CovalentContact SG-SG 2.01Å; C613-C616 PolarHBondContact SG-SG 2.03Å | ||
| 614 | P | 61.8 | Low | 70.7 | Confident | 114 Ų | 114 | 70.3 Ų | 70.3 | 74% | 0.74 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -28.8 | -176.8 | -19.8 | 31.5 | 0 | 0 | 0 | 113 | ||
| 615 | T | 58 | Low | 70.9 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 56% | 0.564 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10 | 174.9 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | A603 G604 C613 I617 | A603-T615 PolarHBondContact O-OG1 3.11Å; G604-T615 WeakPolarHBondContact CA-OG1 3.26Å; C613-T615 PolarHBondContact O-N 2.68Å; T615-I617 PolarHBondContact O-N 3.26Å |
| 616 | C | 60.4 | Low | 70.9 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -75.6 | 80.3 | 163 | -61.5 | 0 | 0 | 0 | 0 | 106.3 | C613 D618 | C613-C616 HydrophobicContact CB-CB 3.43Å; C613-C616 VanDerWaalsContact CB-CB 3.43Å; C613-C616 WeakPolarHBondContact CB-SG 3.27Å; C613-C616 WeakPolarHBondContact O-CA 3.47Å; C613-C616 VanDerWaalsContact O-CB 3.31Å; C613-C616 WeakPolarHBondContact O-CB 3.3Å; C613-C616 PolarHBondContact O-N 3.36Å; C613-C616 WeakPolarHBondContact SG-CB 3.4Å; C613-C616 PolarHBondContact SG-N 2.9Å; C613-C616 CovalentContact SG-SG 2.01Å; C613-C616 PolarHBondContact SG-SG 2.03Å; C616-D618 PolarHBondContact O-N 3.13Å; C616-D618 VanDerWaalsContact O-N 3.16Å |
| 617 | I | 56 | Low | 71 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 71% | 0.713 | 37% | 0.373 | S | S | * | . | trans | -35.4 | 115.5 | 170.3 | -74.7 | 158.1 | 0 | 0 | 0 | 110 | T615 | T615-I617 PolarHBondContact O-N 3.26Š| ||
| 618 | D | 60.9 | Low | 70.8 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | trans | -177.6 | -1.2 | 143 | -93.9 | -21.7 | 0 | 0 | 0 | 118.6 | C616 C620 T621 Y622 | C616-D618 PolarHBondContact O-N 3.13Å; C616-D618 VanDerWaalsContact O-N 3.16Å; D618-C620 PolarHBondContact O-N 3.5Å; D618-T621 PolarHBondContact O-N 3.02Å; D618-T621 WeakPolarHBondContact OD1-CB 3.41Å; D618-T621 PolarHBondContact OD1-OG1 3.14Å; D618-Y622 VanDerWaalsContact O-CB 3.31Å; D618-Y622 WeakPolarHBondContact O-CB 3.41Å; D618-Y622 PolarHBondContact O-N 2.02Å | ||
| 619 | S | 60.7 | Low | 70.5 | Confident | 78 Ų | 78 | 65 Ų | 65 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 179.4 | -57.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 620 | C | 67.6 | Low | 70 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -75.9 | -30.6 | 174 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | D618 Y622 A623 K624 C665 L667 | D618-C620 PolarHBondContact O-N 3.5Å; C620-Y622 VanDerWaalsContact C-N 3.34Å; C620-A623 PolarHBondContact O-N 3.39Å; C620-K624 PolarHBondContact O-N 3.2Å; C620-C665 HydrophobicContact CB-CB 3.85Å; C620-C665 WeakPolarHBondContact CB-SG 3.41Å; C620-C665 WeakPolarHBondContact SG-CB 3.34Å; C620-C665 CovalentContact SG-SG 2.06Å; C620-C665 PolarHBondContact SG-SG 3.48Å; C620-L667 HydrophobicContact CB-CD2 4.31Å |
| 621 | T | 68.5 | Low | 69.6 | Low | 67 Ų | 67 | 65.5 Ų | 65.5 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 175.6 | -34.8 | 0 | 0 | 0 | 0 | 110.8 | D618 A623 K624 | D618-T621 PolarHBondContact O-N 3.02Å; D618-T621 WeakPolarHBondContact OD1-CB 3.41Å; D618-T621 PolarHBondContact OD1-OG1 3.14Å; T621-A623 VanDerWaalsContact C-N 3.27Å; T621-A623 PolarHBondContact O-N 2.03Å; T621-K624 WeakPolarHBondContact O-CB 3.24Å; T621-K624 PolarHBondContact O-N 3.45Å |
| 622 | Y | 70.1 | Confident | 69.2 | Low | 120 Ų | 120 | 67 Ų | 67 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 177.1 | -175.2 | -104.6 | 0 | 0 | 0 | 112.7 | D618 C620 K624 A647 L649 | D618-Y622 VanDerWaalsContact O-CB 3.31Å; D618-Y622 WeakPolarHBondContact O-CB 3.41Å; D618-Y622 PolarHBondContact O-N 2.02Å; C620-Y622 VanDerWaalsContact C-N 3.34Å; Y622-K624 VanDerWaalsContact C-N 3.33Å; Y622-A647 HydrophobicContact CE1-CB 3.84Å; Y622-A647 WeakPolarHBondContact CE1-O 3.37Å; Y622-A647 WeakPolarHBondContact OH-CA 3.43Å; Y622-A647 VanDerWaalsContact OH-CB 3.31Å; Y622-A647 WeakPolarHBondContact OH-CB 3.12Å; Y622-A647 PolarHBondContact OH-O 2.91Å; Y622-L649 HydrophobicContact CD1-CD1 3.86Å; Y622-L649 HydrophobicContact CE1-CD1 3.79Å; Y622-L649 HydrophobicContact CE1-CG 4.46Å |
| 623 | A | 70 | Confident | 68.8 | Low | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | C620 T621 S625 C626 V627 L649 F677 | C620-A623 PolarHBondContact O-N 3.39Å; T621-A623 VanDerWaalsContact C-N 3.27Å; T621-A623 PolarHBondContact O-N 2.03Å; A623-S625 PolarHBondContact O-N 3.24Å; A623-C626 PolarHBondContact O-N 2.7Å; A623-V627 HydrophobicContact CB-CG2 4.42Å; A623-V627 WeakPolarHBondContact O-CB 3Å; A623-V627 VanDerWaalsContact O-CG2 3.25Å; A623-V627 WeakPolarHBondContact O-CG2 3.41Å; A623-V627 PolarHBondContact O-N 2.04Å; A623-L649 HydrophobicContact CB-CD1 4.34Å; A623-L649 HydrophobicContact CB-CD2 4.18Å; A623-F677 HydrophobicContact CB-CE2 4.09Å; A623-F677 HydrophobicContact CB-CZ 4.02Å |
| 624 | K | 75.2 | Confident | 68.2 | Low | 66 Ų | 66 | 68.9 Ų | 68.9 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.6 | -51.4 | -172.8 | -176.8 | 177.3 | 173.6 | -175.7 | 0 | 112.6 | C620 T621 Y622 C626 V627 E628 L667 | C620-K624 PolarHBondContact O-N 3.2Å; T621-K624 WeakPolarHBondContact O-CB 3.24Å; T621-K624 PolarHBondContact O-N 3.45Å; Y622-K624 VanDerWaalsContact C-N 3.33Å; K624-C626 PolarHBondContact O-N 2.8Å; K624-V627 PolarHBondContact O-N 2.99Å; K624-E628 WeakPolarHBondContact CE-OE1 3.2Å; K624-E628 HydrophobicContact CG-CG 4.26Å; K624-E628 IonicContact NZ-OE1 3.72Å; K624-E628 WeakPolarHBondContact O-CB 3.36Å; K624-E628 VanDerWaalsContact O-CG 3.27Å; K624-E628 WeakPolarHBondContact O-CG 3.45Å; K624-E628 PolarHBondContact O-N 3.17Å; K624-L667 HydrophobicContact CB-CD1 3.72Å; K624-L667 HydrophobicContact CG-CD1 3.88Å |
| 625 | S | 73.7 | Confident | 68 | Low | 86 Ų | 86 | 71 Ų | 71 | 60% | 0.601 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.6 | -37.7 | -176 | 52 | 0 | 0 | 0 | 0 | 112.8 | A623 C629 | A623-S625 PolarHBondContact O-N 3.24Å; S625-C629 WeakPolarHBondContact O-CB 3.47Å; S625-C629 PolarHBondContact O-N 3.3Å |
| 626 | C | 78.1 | Confident | 67.9 | Low | 7 Ų | 7 | 72.1 Ų | 72.1 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.4 | -48.3 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | A623 K624 E628 C629 H630 C644 L649 | A623-C626 PolarHBondContact O-N 2.7Å; K624-C626 PolarHBondContact O-N 2.8Å; C626-E628 PolarHBondContact O-N 3.35Å; C626-C629 WeakPolarHBondContact O-CB 3.07Å; C626-C629 PolarHBondContact O-N 3.4Å; C626-H630 PolarHBondContact O-CD2 3.05Å; C626-H630 PolarHBondContact O-N 3.46Å; C626-C644 HydrophobicContact CB-CB 4.19Å; C626-C644 WeakPolarHBondContact CB-SG 3.21Å; C626-C644 WeakPolarHBondContact SG-CB 3.48Å; C626-C644 CovalentContact SG-SG 2.04Å; C626-C644 PolarHBondContact SG-SG 2.9Å; C626-L649 HydrophobicContact CB-CD1 4.47Å |
| 627 | V | 78.2 | Confident | 68 | Low | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.012 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | -179.6 | 169.1 | 0 | 0 | 0 | 0 | 112 | A623 K624 L631 V675 F677 V688 L691 | A623-V627 HydrophobicContact CB-CG2 4.42Å; A623-V627 WeakPolarHBondContact O-CB 3Å; A623-V627 VanDerWaalsContact O-CG2 3.25Å; A623-V627 WeakPolarHBondContact O-CG2 3.41Å; A623-V627 PolarHBondContact O-N 2.04Å; K624-V627 PolarHBondContact O-N 2.99Å; V627-L631 HydrophobicContact CG1-CD1 3.89Å; V627-L631 WeakPolarHBondContact O-CG 3.28Å; V627-L631 PolarHBondContact O-N 3.49Å; V627-V675 HydrophobicContact CG1-CG1 3.89Å; V627-F677 HydrophobicContact CG1-CD1 3.97Å; V627-F677 HydrophobicContact CG1-CE1 4.16Å; V627-F677 HydrophobicContact CG2-CD1 4.27Å; V627-F677 HydrophobicContact CG2-CE1 4.18Å; V627-F677 HydrophobicContact CG2-CE2 4.45Å; V627-F677 HydrophobicContact CG2-CG 4.45Å; V627-F677 HydrophobicContact CG2-CZ 4.26Å; V627-V688 HydrophobicContact CG2-CG1 4.15Å; V627-L691 HydrophobicContact CB-CD2 4.41Å; V627-L691 HydrophobicContact CG1-CD2 3.83Å; V627-L691 HydrophobicContact CG1-CG 4.4Å; V627-L691 HydrophobicContact CG2-CD2 4.39Å |
| 628 | E | 75.9 | Confident | 68.2 | Low | 44 Ų | 44 | 70.3 Ų | 70.3 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 175.3 | -76.6 | 178.7 | 164.5 | 0 | 0 | 112 | K624 C626 L631 L632 I669 | K624-E628 WeakPolarHBondContact CE-OE1 3.2Å; K624-E628 HydrophobicContact CG-CG 4.26Å; K624-E628 IonicContact NZ-OE1 3.72Å; K624-E628 WeakPolarHBondContact O-CB 3.36Å; K624-E628 VanDerWaalsContact O-CG 3.27Å; K624-E628 WeakPolarHBondContact O-CG 3.45Å; K624-E628 PolarHBondContact O-N 3.17Å; C626-E628 PolarHBondContact O-N 3.35Å; E628-L631 PolarHBondContact O-N 3.3Å; E628-L632 WeakPolarHBondContact O-CG 3.44Å; E628-L632 PolarHBondContact O-N 2.99Å; E628-I669 HydrophobicContact CG-CD1 3.81Å; E628-I669 HydrophobicContact CG-CG1 4.12Å |
| 629 | C | 76.1 | Confident | 68.4 | Low | 46 Ų | 46 | 71.3 Ų | 71.3 | 31% | 0.311 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 177.5 | -162.7 | 0 | 0 | 0 | 0 | 111.5 | S625 C626 L631 L632 A633 C640 | S625-C629 WeakPolarHBondContact O-CB 3.47Å; S625-C629 PolarHBondContact O-N 3.3Å; C626-C629 WeakPolarHBondContact O-CB 3.07Å; C626-C629 PolarHBondContact O-N 3.4Å; C629-L631 VanDerWaalsContact C-N 3.32Å; C629-L631 PolarHBondContact O-N 2.97Å; C629-L632 PolarHBondContact O-N 2.86Å; C629-A633 VanDerWaalsContact O-CB 3.29Å; C629-A633 WeakPolarHBondContact O-CB 3.38Å; C629-A633 PolarHBondContact O-N 2.84Å; C629-C640 HydrophobicContact CB-CB 3.83Å; C629-C640 WeakPolarHBondContact CB-SG 3.01Å; C629-C640 WeakPolarHBondContact SG-CB 3.37Å; C629-C640 CovalentContact SG-SG 2.04Å; C629-C640 PolarHBondContact SG-SG 2.86Å |
| 630 | H | 75.9 | Confident | 68.8 | Low | 28 Ų | 28 | 67.8 Ų | 67.8 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.2 | -22.9 | -179.2 | -83.7 | -94.3 | 0 | 0 | 0 | 114.6 | C626 F637 C640 D641 I651 | C626-H630 PolarHBondContact O-CD2 3.05Å; C626-H630 PolarHBondContact O-N 3.46Å; H630-F637 AromaticContact ND1-CD1 3.65Å; H630-C640 VanDerWaalsContact NE2-CB 3.34Å; H630-C640 WeakPolarHBondContact NE2-CB 3.24Å; H630-D641 IonicContact CE1-OD1 2.82Å; H630-D641 PolarHBondContact CE1-OD1 3.46Å; H630-D641 IonicContact NE2-OD1 3.84Å; H630-D641 PolarHBondContact NE2-OD1 2.73Å; H630-I651 HydrophobicContact CB-CD1 3.7Å; H630-I651 WeakPolarHBondContact CD2-CD1 3.02Å |
| 631 | L | 74.6 | Confident | 68.8 | Low | 50 Ų | 50 | 70 Ų | 70 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -84.9 | -27 | 177.4 | -77.1 | 169.2 | 0 | 0 | 0 | 113.6 | V627 E628 C629 V675 L691 | V627-L631 HydrophobicContact CG1-CD1 3.89Å; V627-L631 WeakPolarHBondContact O-CG 3.28Å; V627-L631 PolarHBondContact O-N 3.49Å; E628-L631 PolarHBondContact O-N 3.3Å; C629-L631 VanDerWaalsContact C-N 3.32Å; C629-L631 PolarHBondContact O-N 2.97Å; L631-V675 HydrophobicContact CD1-CB 4.18Å; L631-V675 HydrophobicContact CD1-CG1 3.39Å; L631-V675 HydrophobicContact CD1-CG2 3.66Å; L631-L691 HydrophobicContact CD1-CD2 4.41Å; L631-L691 HydrophobicContact CD2-CB 4.17Å; L631-L691 HydrophobicContact CD2-CD2 4.43Å; L631-L691 HydrophobicContact CG-CD2 4.09Å |
| 632 | L | 69 | Low | 68.6 | Low | 114 Ų | 114 | 73.7 Ų | 73.7 | 60% | 0.597 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -95 | -23.8 | -178.8 | -67.8 | 170.7 | 0 | 0 | 0 | 113 | E628 C629 K634 | E628-L632 WeakPolarHBondContact O-CG 3.44Å; E628-L632 PolarHBondContact O-N 2.99Å; C629-L632 PolarHBondContact O-N 2.86Å; L632-K634 PolarHBondContact O-N 3.13Å |
| 633 | A | 64.8 | Low | 68.3 | Low | 25 Ų | 25 | 74 Ų | 74 | 21% | 0.207 | 39% | 0.394 | C | S | . | . | trans | -70.8 | 113.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | C629 | C629-A633 VanDerWaalsContact O-CB 3.29Å; C629-A633 WeakPolarHBondContact O-CB 3.38Å; C629-A633 PolarHBondContact O-N 2.84Å | ||
| 634 | K | 57.5 | Low | 68.3 | Low | 194 Ų | 194 | 74.2 Ų | 74.2 | 84% | 0.843 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -88.3 | -15.2 | 179.2 | -84.6 | -171.8 | 175.1 | -178.2 | 0 | 115 | L632 | L632-K634 PolarHBondContact O-N 3.13Š|
| 635 | D | 56.1 | Low | 67.8 | Low | 160 Ų | 160 | 76.6 Ų | 76.6 | 86% | 0.856 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -162.6 | 14.6 | 178.7 | -89 | -41.4 | 0 | 0 | 0 | 115.9 | ||
| 636 | D | 56.8 | Low | 67.2 | Low | 114 Ų | 114 | 76.8 Ų | 76.8 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | trans | -139.6 | 82.4 | 177.9 | -164.3 | 6.8 | 0 | 0 | 0 | 112.4 | ||||
| 637 | F | 62 | Low | 66.3 | Low | 104 Ų | 104 | 77.3 Ų | 77.3 | 46% | 0.456 | 42% | 0.423 | S | S | . | . | trans | -79 | -18.3 | -176.4 | -64 | -73 | 0 | 0 | 0 | 113.9 | H630 L639 C640 D641 | H630-F637 AromaticContact ND1-CD1 3.65Å; F637-L639 PolarHBondContact O-N 3.45Å; F637-C640 PolarHBondContact O-N 3.48Å; F637-D641 PolarHBondContact O-N 3.49Å | ||
| 638 | G | 61.3 | Low | 65.9 | Low | 42 Ų | 42 | 84.5 Ų | 84.5 | 43% | 0.433 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.8 | -27.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 639 | L | 65.1 | Low | 65.7 | Low | 123 Ų | 123 | 82.6 Ų | 82.6 | 64% | 0.644 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -76.7 | -33.1 | 176.7 | -164.2 | 73.7 | 0 | 0 | 0 | 112.1 | F637 | F637-L639 PolarHBondContact O-N 3.45Å |
| 640 | C | 69.2 | Low | 65.6 | Low | 5 Ų | 5 | 83.2 Ų | 83.2 | 3% | 0.034 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.9 | -40.1 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | C629 H630 F637 Q642 N643 C644 | C629-C640 HydrophobicContact CB-CB 3.83Å; C629-C640 WeakPolarHBondContact CB-SG 3.01Å; C629-C640 WeakPolarHBondContact SG-CB 3.37Å; C629-C640 CovalentContact SG-SG 2.04Å; C629-C640 PolarHBondContact SG-SG 2.86Å; H630-C640 VanDerWaalsContact NE2-CB 3.34Å; H630-C640 WeakPolarHBondContact NE2-CB 3.24Å; F637-C640 PolarHBondContact O-N 3.48Å; C640-Q642 VanDerWaalsContact C-N 3.3Å; C640-Q642 PolarHBondContact O-N 2.77Å; C640-N643 PolarHBondContact O-N 3.15Å; C640-N643 VanDerWaalsContact O-N 3.14Å; C640-C644 PolarHBondContact O-N 3.32Å; C640-C644 PolarHBondContact O-SG 3.13Å |
| 641 | D | 67.1 | Low | 65.5 | Low | 74 Ų | 74 | 84 Ų | 84 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -34.5 | 179.4 | -75.1 | -30.6 | 0 | 0 | 0 | 113.2 | H630 F637 C644 N645 | H630-D641 IonicContact CE1-OD1 2.82Å; H630-D641 PolarHBondContact CE1-OD1 3.46Å; H630-D641 IonicContact NE2-OD1 3.84Å; H630-D641 PolarHBondContact NE2-OD1 2.73Å; F637-D641 PolarHBondContact O-N 3.49Å; D641-C644 PolarHBondContact O-N 3.47Å; D641-N645 WeakPolarHBondContact O-CB 3.48Å; D641-N645 PolarHBondContact O-N 3.16Å; D641-N645 PolarHBondContact O-ND2 3.49Å |
| 642 | Q | 64.9 | Low | 65.3 | Low | 144 Ų | 144 | 84.3 Ų | 84.3 | 67% | 0.673 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.8 | -40.5 | 175.4 | -77.6 | -176.6 | -7.6 | 0 | 0 | 112.6 | C640 A646 | C640-Q642 VanDerWaalsContact C-N 3.3Å; C640-Q642 PolarHBondContact O-N 2.77Å; Q642-A646 PolarHBondContact O-N 2.62Å |
| 643 | N | 63.3 | Low | 65 | Low | 127 Ų | 127 | 85.5 Ų | 85.5 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71 | -34.7 | 176.4 | -104.9 | -2.4 | 0 | 0 | 0 | 112 | C640 | C640-N643 PolarHBondContact O-N 3.15Å; C640-N643 VanDerWaalsContact O-N 3.14Å |
| 644 | C | 69.1 | Low | 64.8 | Low | 3 Ų | 3 | 88.3 Ų | 88.3 | 2% | 0.02 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -71.8 | -33.8 | 176 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | C626 C640 D641 A647 K648 L649 | C626-C644 HydrophobicContact CB-CB 4.19Å; C626-C644 WeakPolarHBondContact CB-SG 3.21Å; C626-C644 WeakPolarHBondContact SG-CB 3.48Å; C626-C644 CovalentContact SG-SG 2.04Å; C626-C644 PolarHBondContact SG-SG 2.9Å; C640-C644 PolarHBondContact O-N 3.32Å; C640-C644 PolarHBondContact O-SG 3.13Å; D641-C644 PolarHBondContact O-N 3.47Å; C644-A647 CarbonylContact O-C 3.58Å; C644-A647 WeakPolarHBondContact O-CA 3.33Å; C644-A647 PolarHBondContact O-N 3.47Å; C644-A647 VanDerWaalsContact O-N 3.09Å; C644-K648 PolarHBondContact O-N 3.24Å; C644-L649 HydrophobicContact CB-CB 4.42Å; C644-L649 PolarHBondContact O-N 3.07Å |
| 645 | N | 66 | Low | 64.8 | Low | 117 Ų | 117 | 83 Ų | 83 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | 175.7 | -86.5 | -35.3 | 0 | 0 | 0 | 113.3 | D641 A647 K648 | D641-N645 WeakPolarHBondContact O-CB 3.48Å; D641-N645 PolarHBondContact O-N 3.16Å; D641-N645 PolarHBondContact O-ND2 3.49Å; N645-A647 PolarHBondContact O-N 3.49Å; N645-K648 PolarHBondContact O-N 2.65Å; N645-K648 VanDerWaalsContact O-N 3.1Å |
| 646 | A | 60.5 | Low | 64.8 | Low | 89 Ų | 89 | 82.4 Ų | 82.4 | 74% | 0.736 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.4 | -25.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q642 | Q642-A646 PolarHBondContact O-N 2.62Å |
| 647 | A | 59 | Low | 65 | Low | 19 Ų | 19 | 79 Ų | 79 | 16% | 0.157 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 10.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y622 C644 N645 L649 | Y622-A647 HydrophobicContact CE1-CB 3.84Å; Y622-A647 WeakPolarHBondContact CE1-O 3.37Å; Y622-A647 WeakPolarHBondContact OH-CA 3.43Å; Y622-A647 VanDerWaalsContact OH-CB 3.31Å; Y622-A647 WeakPolarHBondContact OH-CB 3.12Å; Y622-A647 PolarHBondContact OH-O 2.91Å; C644-A647 CarbonylContact O-C 3.58Å; C644-A647 WeakPolarHBondContact O-CA 3.33Å; C644-A647 PolarHBondContact O-N 3.47Å; C644-A647 VanDerWaalsContact O-N 3.09Å; N645-A647 PolarHBondContact O-N 3.49Å; A647-L649 HydrophobicContact CB-CD1 3.85Å; A647-L649 PolarHBondContact O-N 3.5Å |
| 648 | K | 70.3 | Confident | 64.8 | Low | 152 Ų | 152 | 78.9 Ų | 78.9 | 66% | 0.661 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 38.4 | -175.3 | -61.9 | -176.3 | -179.9 | 179.6 | 0 | 113.5 | C644 N645 H686 | C644-K648 PolarHBondContact O-N 3.24Å; N645-K648 PolarHBondContact O-N 2.65Å; N645-K648 VanDerWaalsContact O-N 3.1Å; K648-H686 PolarHBondContact O-N 2.76Å |
| 649 | L | 72.1 | Confident | 64.7 | Low | 5 Ų | 5 | 84.4 Ų | 84.4 | 3% | 0.026 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.5 | 178.7 | -82.1 | 153 | 0 | 0 | 0 | 110.1 | Y622 A623 C626 C644 A647 L679 H686 V688 | Y622-L649 HydrophobicContact CD1-CD1 3.86Å; Y622-L649 HydrophobicContact CE1-CD1 3.79Å; Y622-L649 HydrophobicContact CE1-CG 4.46Å; A623-L649 HydrophobicContact CB-CD1 4.34Å; A623-L649 HydrophobicContact CB-CD2 4.18Å; C626-L649 HydrophobicContact CB-CD1 4.47Å; C644-L649 HydrophobicContact CB-CB 4.42Å; C644-L649 PolarHBondContact O-N 3.07Å; A647-L649 HydrophobicContact CB-CD1 3.85Å; A647-L649 PolarHBondContact O-N 3.5Å; L649-L679 HydrophobicContact CD2-CD1 4.02Å; L649-H686 WeakPolarHBondContact CA-O 3.06Å; L649-H686 HydrophobicContact CD2-CB 3.81Å; L649-H686 HydrophobicContact CG-CB 4.49Å; L649-V688 HydrophobicContact CD2-CG2 3.83Å |
| 650 | S | 72.4 | Confident | 64.3 | Low | 59 Ų | 59 | 84.5 Ų | 84.5 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.3 | 173 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | H686 V687 V688 | S650-H686 PolarHBondContact N-O 3.22Å; S650-V687 CarbonylContact O-C 3.57Å; S650-V687 WeakPolarHBondContact O-CA 3.05Å; S650-V687 WeakPolarHBondContact O-CG1 3.47Å; S650-V688 PolarHBondContact O-N 3.14Å |
| 651 | I | 74.3 | Confident | 63.8 | Low | 44 Ų | 44 | 87 Ų | 87 | 23% | 0.226 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.3 | 175.8 | -68.7 | 163.2 | 0 | 0 | 0 | 109.1 | H630 V688 L691 | H630-I651 HydrophobicContact CB-CD1 3.7Å; H630-I651 WeakPolarHBondContact CD2-CD1 3.02Å; I651-V688 HydrophobicContact CG1-CB 4.15Å; I651-L691 HydrophobicContact CD1-CD2 4.47Å; I651-L691 HydrophobicContact CG2-CD1 3.8Å |
| 652 | N | 71.5 | Confident | 63.8 | Low | 57 Ų | 57 | 84.7 Ų | 84.7 | 31% | 0.305 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.1 | 175.6 | -168.5 | 2.2 | 0 | 0 | 0 | 110.8 | T654 V687 V688 Y689 | N652-T654 VanDerWaalsContact CG-OG1 3.29Å; N652-T654 PolarHBondContact ND2-OG1 3.41Å; N652-T654 VanDerWaalsContact ND2-OG1 3.09Å; N652-T654 PolarHBondContact OD1-N 3.15Å; N652-T654 PolarHBondContact OD1-OG1 3.02Å; N652-V687 HydrophobicContact CB-CG1 4.15Å; N652-V688 PolarHBondContact N-O 3.25Å; N652-Y689 HydrophobicContact CB-CD1 3.86Å; N652-Y689 HydrophobicContact CB-CE1 3.58Å |
| 653 | T | 62.8 | Low | 64.2 | Low | 139 Ų | 139 | 83.4 Ų | 83.4 | 85% | 0.853 | 49% | 0.488 | S | S | * | . | trans | -94.1 | -2.9 | -176.7 | 13.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 654 | T | 59.5 | Low | 65 | Low | 83 Ų | 83 | 83 Ų | 83 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | trans | -74.1 | 128.1 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | N652 D656 | N652-T654 VanDerWaalsContact CG-OG1 3.29Å; N652-T654 PolarHBondContact ND2-OG1 3.41Å; N652-T654 VanDerWaalsContact ND2-OG1 3.09Å; N652-T654 PolarHBondContact OD1-N 3.15Å; N652-T654 PolarHBondContact OD1-OG1 3.02Å; T654-D656 PolarHBondContact O-N 3.17Å; T654-D656 VanDerWaalsContact O-N 3.07Å | ||
| 655 | G | 57.2 | Low | 65.4 | Low | 82 Ų | 82 | 83 Ų | 83 | 85% | 0.845 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -75.5 | 15.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 656 | D | 56.3 | Low | 65.9 | Low | 149 Ų | 149 | 80.9 Ų | 80.9 | 80% | 0.797 | 47% | 0.472 | S | S | * | . | trans | -115.8 | 106.3 | -178 | -155.3 | 11.2 | 0 | 0 | 0 | 109.8 | T654 | T654-D656 PolarHBondContact O-N 3.17Å; T654-D656 VanDerWaalsContact O-N 3.07Å | ||
| 657 | Y | 60.9 | Low | 66.7 | Low | 42 Ų | 42 | 78.1 Ų | 78.1 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | trans | -150.6 | 150.5 | 175 | 67.4 | -86.7 | 0 | 0 | 0 | 111.2 | K659 Y678 Y689 N690 | Y657-K659 HydrophobicContact CE2-CG 4.18Å; Y657-K659 PolarHBondContact O-N 2.79Å; Y657-Y678 HydrophobicContact CE2-CD1 4.46Å; Y657-Y678 HydrophobicContact CE2-CD2 4.46Å; Y657-Y678 HydrophobicContact CE2-CG 4.18Å; Y657-Y678 VanDerWaalsContact OH-CD2 3.25Å; Y657-Y678 WeakPolarHBondContact OH-CD2 3.44Å; Y657-Y678 VanDerWaalsContact OH-CE2 3.32Å; Y657-Y678 WeakPolarHBondContact OH-CE2 3.5Å; Y657-Y689 HydrophobicContact CD1-CD1 4.27Å; Y657-Y689 HydrophobicContact CD1-CG 4.22Å; Y657-Y689 HydrophobicContact CG-CD1 4.43Å; Y657-Y689 HydrophobicContact CG-CG 4.25Å; Y657-N690 HydrophobicContact CE1-CB 4.19Å | ||
| 658 | D | 58.6 | Low | 67.5 | Low | 101 Ų | 101 | 82.3 Ų | 82.3 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | trans | -75.3 | 113.6 | 179.6 | -161.3 | -20.9 | 0 | 0 | 0 | 110.7 | T660 | D658-T660 PolarHBondContact O-N 3.41Å; D658-T660 PolarHBondContact OD1-N 3.24Å; D658-T660 PolarHBondContact OD1-OG1 2.73Å | ||
| 659 | K | 58.4 | Low | 67.7 | Low | 158 Ų | 158 | 76 Ų | 76 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -67.2 | -21.6 | -176.4 | -77.8 | 176.4 | -178.6 | 168.5 | 0 | 113.1 | Y657 A661 S662 | Y657-K659 HydrophobicContact CE2-CG 4.18Å; Y657-K659 PolarHBondContact O-N 2.79Å; K659-A661 VanDerWaalsContact C-N 3.35Å; K659-A661 PolarHBondContact O-N 3.25Å; K659-S662 PolarHBondContact O-OG 2.85Å |
| 660 | T | 55.9 | Low | 67.4 | Low | 125 Ų | 125 | 84.6 Ų | 84.6 | 77% | 0.767 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -75.6 | -22.1 | -173.1 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | D658 | D658-T660 PolarHBondContact O-N 3.41Å; D658-T660 PolarHBondContact OD1-N 3.24Å; D658-T660 PolarHBondContact OD1-OG1 2.73Å |
| 661 | A | 59 | Low | 67 | Low | 59 Ų | 59 | 87.2 Ų | 87.2 | 49% | 0.488 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -108.9 | 13 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K659 M680 | K659-A661 VanDerWaalsContact C-N 3.35Å; K659-A661 PolarHBondContact O-N 3.25Å; A661-M680 HydrophobicContact CB-CE 4.1Å |
| 662 | S | 68.6 | Low | 66.6 | Low | 24 Ų | 24 | 90.5 Ų | 90.5 | 17% | 0.168 | 50% | 0.496 | C | S | . | . | trans | -119 | 140.1 | -172.8 | 71.4 | 0 | 0 | 0 | 0 | 113.5 | K659 | K659-S662 PolarHBondContact O-OG 2.85Š| ||
| 663 | M | 72.9 | Confident | 66.8 | Low | 118 Ų | 118 | 88.1 Ų | 88.1 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.6 | 176.8 | -177 | 177.7 | -178.5 | 0 | 0 | 111 | C665 Y678 L679 | M663-C665 PolarHBondContact O-N 3.04Å; M663-Y678 CarbonylContact O-C 3.56Å; M663-Y678 WeakPolarHBondContact O-CA 3.39Å; M663-L679 PolarHBondContact N-O 3.15Å; M663-L679 PolarHBondContact O-N 2.91Å |
| 664 | K | 79.2 | Confident | 67.7 | Low | 118 Ų | 118 | 86.6 Ų | 86.6 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 115.5 | 176.5 | -169.6 | 180 | -179 | 177.7 | 0 | 111.3 | Y678 | K664-Y678 HydrophobicContact CB-CD1 3.88Å; K664-Y678 HydrophobicContact CB-CE1 3.61Å; K664-Y678 HydrophobicContact CD-CE1 4.07Å; K664-Y678 HydrophobicContact CG-CD1 4.28Å; K664-Y678 HydrophobicContact CG-CE1 3.81Å; K664-Y678 HydrophobicContact CG-CE2 4.46Å |
| 665 | C | 77.6 | Confident | 68.8 | Low | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.014 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 140.4 | 172.4 | -67.6 | 0 | 0 | 0 | 0 | 110.4 | C620 M663 S676 F677 | C620-C665 HydrophobicContact CB-CB 3.85Å; C620-C665 WeakPolarHBondContact CB-SG 3.41Å; C620-C665 WeakPolarHBondContact SG-CB 3.34Å; C620-C665 CovalentContact SG-SG 2.06Å; C620-C665 PolarHBondContact SG-SG 3.48Å; M663-C665 PolarHBondContact O-N 3.04Å; C665-S676 WeakPolarHBondContact O-CA 3.43Å; C665-F677 HydrophobicContact CB-CD1 4.15Å; C665-F677 HydrophobicContact CB-CD2 3.89Å; C665-F677 HydrophobicContact CB-CE1 3.69Å; C665-F677 HydrophobicContact CB-CE2 3.42Å; C665-F677 VanDerWaalsContact CB-CE2 3.42Å; C665-F677 HydrophobicContact CB-CG 4.26Å; C665-F677 HydrophobicContact CB-CZ 3.31Å; C665-F677 PolarHBondContact N-O 2.82Å; C665-F677 PolarHBondContact O-N 2.97Å |
| 666 | T | 76.9 | Confident | 70 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 45% | 0.454 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 120.9 | 170.4 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | V675 | T666-V675 CarbonylContact C-O 3.55Å; T666-V675 VanDerWaalsContact CA-O 3.26Å; T666-V675 WeakPolarHBondContact CA-O 3.19Å |
| 667 | L | 77.1 | Confident | 71.3 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.7 | -176.9 | -60.8 | 176.9 | 0 | 0 | 0 | 110.5 | C620 K624 K674 V675 F677 | C620-L667 HydrophobicContact CB-CD2 4.31Å; K624-L667 HydrophobicContact CB-CD1 3.72Å; K624-L667 HydrophobicContact CG-CD1 3.88Å; L667-K674 WeakPolarHBondContact O-CA 3.03Å; L667-V675 PolarHBondContact N-O 2.03Å; L667-V675 PolarHBondContact O-N 2.97Å; L667-F677 HydrophobicContact CD1-CE1 3.67Å; L667-F677 HydrophobicContact CD1-CZ 4.05Å; L667-F677 HydrophobicContact CG-CE1 4.07Å |
| 668 | K | 75.3 | Confident | 72.3 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 47% | 0.465 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126 | 171.5 | -166.7 | 178.5 | -178.1 | -175.8 | 0 | 108.7 | E672 | K668-E672 WeakPolarHBondContact CE-OE1 3.37Å; K668-E672 VanDerWaalsContact CE-OE2 3.32Å; K668-E672 WeakPolarHBondContact CE-OE2 3.24Å; K668-E672 IonicContact NZ-OE1 2.65Å; K668-E672 PolarHBondContact NZ-OE1 2.82Å; K668-E672 IonicContact NZ-OE2 3.89Å; K668-E672 PolarHBondContact NZ-OE2 2.85Å |
| 669 | I | 74.9 | Confident | 73.2 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | trans | -92.9 | 160 | 176.5 | -55.5 | -176.9 | 0 | 0 | 0 | 108.6 | E628 N671 E672 C673 V675 | E628-I669 HydrophobicContact CG-CD1 3.81Å; E628-I669 HydrophobicContact CG-CG1 4.12Å; I669-N671 PolarHBondContact O-N 2.93Å; I669-E672 PolarHBondContact O-N 3.4Å; I669-C673 PolarHBondContact N-O 2.7Å; I669-V675 HydrophobicContact CD1-CB 4.25Å; I669-V675 HydrophobicContact CD1-CG2 3.3Å; I669-V675 HydrophobicContact CG1-CG2 4.01Å | ||
| 670 | E | 65.8 | Low | 74 | Confident | 186 Ų | 186 | 62.9 Ų | 62.9 | 87% | 0.869 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -27 | -178.1 | -67.5 | -173.7 | 155.7 | 0 | 0 | 114.9 | E672 | E670-E672 VanDerWaalsContact C-N 3.28Å; E670-E672 PolarHBondContact O-N 3.36Å |
| 671 | N | 64.1 | Low | 74.8 | Confident | 115 Ų | 115 | 64.1 Ų | 64.1 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 25.4 | 179.7 | -71.9 | -16.6 | 0 | 0 | 0 | 115.1 | I669 C673 | I669-N671 PolarHBondContact O-N 2.93Å; N671-C673 PolarHBondContact O-N 3.03Å; N671-C673 PolarHBondContact O-SG 3.44Å |
| 672 | E | 65.9 | Low | 75.1 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 53% | 0.528 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 60.5 | -2.8 | -172.7 | -72.7 | -81.7 | 138.3 | 0 | 0 | 115.3 | K668 I669 E670 P697 | K668-E672 WeakPolarHBondContact CE-OE1 3.37Å; K668-E672 VanDerWaalsContact CE-OE2 3.32Å; K668-E672 WeakPolarHBondContact CE-OE2 3.24Å; K668-E672 IonicContact NZ-OE1 2.65Å; K668-E672 PolarHBondContact NZ-OE1 2.82Å; K668-E672 IonicContact NZ-OE2 3.89Å; K668-E672 PolarHBondContact NZ-OE2 2.85Å; I669-E672 PolarHBondContact O-N 3.4Å; E670-E672 VanDerWaalsContact C-N 3.28Å; E670-E672 PolarHBondContact O-N 3.36Å; E672-P697 HydrophobicContact CB-CG 4.42Å |
| 673 | C | 76.8 | Confident | 74.6 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | trans | -73.7 | 145.9 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | I669 N671 M693 C696 | I669-C673 PolarHBondContact N-O 2.7Å; N671-C673 PolarHBondContact O-N 3.03Å; N671-C673 PolarHBondContact O-SG 3.44Å; C673-M693 HydrophobicContact CB-CE 3.41Å; C673-M693 VanDerWaalsContact CB-CE 3.41Å; C673-M693 HydrophobicContact CB-CG 4.33Å; C673-M693 WeakPolarHBondContact SG-CE 3Å; C673-C696 HydrophobicContact CB-CB 4.29Å; C673-C696 WeakPolarHBondContact CB-SG 3.03Å; C673-C696 WeakPolarHBondContact SG-CA 3.28Å; C673-C696 WeakPolarHBondContact SG-CB 3.01Å; C673-C696 CovalentContact SG-SG 2.04Å; C673-C696 PolarHBondContact SG-SG 3.2Å | ||
| 674 | K | 80.8 | Confident | 73.9 | Confident | 108 Ų | 108 | 77.5 Ų | 77.5 | 47% | 0.47 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.5 | 175.2 | -63.3 | -179.1 | -177.1 | 176.2 | 0 | 110.2 | L667 M693 Y694 | L667-K674 WeakPolarHBondContact O-CA 3.03Å; K674-M693 WeakPolarHBondContact O-CA 3.46Å; K674-Y694 HydrophobicContact CB-CD2 4.44Å; K674-Y694 HydrophobicContact CB-CE2 4.12Å; K674-Y694 HydrophobicContact CD-CE2 4.46Å; K674-Y694 PolarHBondContact N-O 2.89Å; K674-Y694 PolarHBondContact O-N 3.28Å; K674-Y694 VanDerWaalsContact O-O 3.08Å |
| 675 | V | 82.8 | Confident | 73.4 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.3 | 174.3 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | V627 L631 T666 L667 I669 F677 N692 M693 | V627-V675 HydrophobicContact CG1-CG1 3.89Å; L631-V675 HydrophobicContact CD1-CB 4.18Å; L631-V675 HydrophobicContact CD1-CG1 3.39Å; L631-V675 HydrophobicContact CD1-CG2 3.66Å; T666-V675 CarbonylContact C-O 3.55Å; T666-V675 VanDerWaalsContact CA-O 3.26Å; T666-V675 WeakPolarHBondContact CA-O 3.19Å; L667-V675 PolarHBondContact N-O 2.03Å; L667-V675 PolarHBondContact O-N 2.97Å; I669-V675 HydrophobicContact CD1-CB 4.25Å; I669-V675 HydrophobicContact CD1-CG2 3.3Å; I669-V675 HydrophobicContact CG1-CG2 4.01Å; V675-F677 HydrophobicContact CG1-CD1 4.33Å; V675-N692 CarbonylContact C-O 3.26Å; V675-N692 VanDerWaalsContact CA-O 3.26Å; V675-N692 WeakPolarHBondContact CA-O 3.31Å; V675-M693 HydrophobicContact CG2-CB 4.09Å; V675-M693 HydrophobicContact CG2-CG 3.98Å |
| 676 | S | 82.6 | Confident | 73.3 | Confident | 11 Ų | 11 | 75 Ų | 75 | 8% | 0.077 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.4 | 173.1 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | C665 N692 Y694 | C665-S676 WeakPolarHBondContact O-CA 3.43Å; S676-N692 PolarHBondContact N-O 3.07Å; S676-N692 PolarHBondContact O-N 2.83Å; S676-Y694 WeakPolarHBondContact OG-CE1 3.44Å |
| 677 | F | 84.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 167 | 174.8 | 60.7 | -88.9 | 0 | 0 | 0 | 110.6 | A623 V627 C665 L667 V675 L679 V688 L691 | A623-F677 HydrophobicContact CB-CE2 4.09Å; A623-F677 HydrophobicContact CB-CZ 4.02Å; V627-F677 HydrophobicContact CG1-CD1 3.97Å; V627-F677 HydrophobicContact CG1-CE1 4.16Å; V627-F677 HydrophobicContact CG2-CD1 4.27Å; V627-F677 HydrophobicContact CG2-CE1 4.18Å; V627-F677 HydrophobicContact CG2-CE2 4.45Å; V627-F677 HydrophobicContact CG2-CG 4.45Å; V627-F677 HydrophobicContact CG2-CZ 4.26Å; C665-F677 HydrophobicContact CB-CD1 4.15Å; C665-F677 HydrophobicContact CB-CD2 3.89Å; C665-F677 HydrophobicContact CB-CE1 3.69Å; C665-F677 HydrophobicContact CB-CE2 3.42Å; C665-F677 VanDerWaalsContact CB-CE2 3.42Å; C665-F677 HydrophobicContact CB-CG 4.26Å; C665-F677 HydrophobicContact CB-CZ 3.31Å; C665-F677 PolarHBondContact N-O 2.82Å; C665-F677 PolarHBondContact O-N 2.97Å; L667-F677 HydrophobicContact CD1-CE1 3.67Å; L667-F677 HydrophobicContact CD1-CZ 4.05Å; L667-F677 HydrophobicContact CG-CE1 4.07Å; V675-F677 HydrophobicContact CG1-CD1 4.33Å; F677-L679 HydrophobicContact CE2-CB 4.5Å; F677-V688 HydrophobicContact CB-CG1 3.86Å; F677-V688 HydrophobicContact CD2-CG1 3.61Å; F677-V688 HydrophobicContact CE2-CG1 4.41Å; F677-V688 HydrophobicContact CG-CG1 3.96Å; F677-L691 HydrophobicContact CB-CG 4.29Å |
| 678 | Y | 81.5 | Confident | 73.4 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134 | 174 | -67 | -95.2 | 0 | 0 | 0 | 110.4 | Y657 M663 K664 V688 Y689 N690 | Y657-Y678 HydrophobicContact CE2-CD1 4.46Å; Y657-Y678 HydrophobicContact CE2-CD2 4.46Å; Y657-Y678 HydrophobicContact CE2-CG 4.18Å; Y657-Y678 VanDerWaalsContact OH-CD2 3.25Å; Y657-Y678 WeakPolarHBondContact OH-CD2 3.44Å; Y657-Y678 VanDerWaalsContact OH-CE2 3.32Å; Y657-Y678 WeakPolarHBondContact OH-CE2 3.5Å; M663-Y678 CarbonylContact O-C 3.56Å; M663-Y678 WeakPolarHBondContact O-CA 3.39Å; K664-Y678 HydrophobicContact CB-CD1 3.88Å; K664-Y678 HydrophobicContact CB-CE1 3.61Å; K664-Y678 HydrophobicContact CD-CE1 4.07Å; K664-Y678 HydrophobicContact CG-CD1 4.28Å; K664-Y678 HydrophobicContact CG-CE1 3.81Å; K664-Y678 HydrophobicContact CG-CE2 4.46Å; Y678-V688 CarbonylContact O-C 3.58Å; Y678-V688 WeakPolarHBondContact O-CA 3.19Å; Y678-Y689 PolarHBondContact N-O 2.97Å; Y678-Y689 PolarHBondContact O-N 2.93Å; Y678-N690 HydrophobicContact CD2-CB 4.17Å |
| 679 | L | 78.1 | Confident | 73.6 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.6 | 178.4 | -168.9 | 73.1 | 0 | 0 | 0 | 109.3 | L649 M663 F677 H686 V688 | L649-L679 HydrophobicContact CD2-CD1 4.02Å; M663-L679 PolarHBondContact N-O 3.15Å; M663-L679 PolarHBondContact O-N 2.91Å; F677-L679 HydrophobicContact CE2-CB 4.5Å; L679-H686 HydrophobicContact CD1-CB 3.95Å; L679-V688 HydrophobicContact CD1-CG2 3.67Å |
| 680 | M | 74.9 | Confident | 73.6 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.2 | 175.9 | -172.1 | -175.4 | -175.8 | 0 | 0 | 109.7 | A661 H686 V687 Y689 | A661-M680 HydrophobicContact CB-CE 4.1Å; M680-H686 WeakPolarHBondContact O-CA 3.08Å; M680-V687 PolarHBondContact N-O 3.16Å; M680-V687 PolarHBondContact O-N 3.5Å; M680-Y689 HydrophobicContact CB-CE2 4.03Å; M680-Y689 HydrophobicContact SD-CE2 4.34Å |
| 681 | E | 71.6 | Confident | 74.2 | Confident | 150 Ų | 150 | 61.7 Ų | 61.7 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.2 | 176.5 | -169 | 165.7 | -153.8 | 0 | 0 | 110.5 | H686 | E681-H686 IonicContact OE1-CE1 2.75Å |
| 682 | R | 65.9 | Low | 74.7 | Confident | 149 Ų | 149 | 59.9 Ų | 59.9 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159.9 | 172.3 | -89.7 | -172.8 | 179.7 | -178.8 | 0.8 | 109.6 | T684 G685 | R682-T684 PolarHBondContact O-N 3.33Å; R682-G685 PolarHBondContact N-O 2.79Å; R682-G685 PolarHBondContact O-N 3.17Å |
| 683 | E | 57.7 | Low | 75.3 | Confident | 209 Ų | 209 | 58.2 Ų | 58.2 | 98% | 0.977 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -24.7 | 175.9 | -64.6 | -175.7 | 163.7 | 0 | 0 | 113.7 | ||
| 684 | T | 57.8 | Low | 75.3 | Confident | 125 Ų | 125 | 63 Ų | 63 | 77% | 0.767 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3.1 | -179.6 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | R682 | R682-T684 PolarHBondContact O-N 3.33Š|
| 685 | G | 69.9 | Low | 74.7 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.3 | -167.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R682 | R682-G685 PolarHBondContact N-O 2.79Å; R682-G685 PolarHBondContact O-N 3.17Å |
| 686 | H | 75.2 | Confident | 74.2 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.1 | 178.4 | -60.8 | -67.6 | 0 | 0 | 0 | 111.8 | K648 L649 S650 L679 M680 E681 | K648-H686 PolarHBondContact O-N 2.76Å; L649-H686 WeakPolarHBondContact CA-O 3.06Å; L649-H686 HydrophobicContact CD2-CB 3.81Å; L649-H686 HydrophobicContact CG-CB 4.49Å; S650-H686 PolarHBondContact N-O 3.22Å; L679-H686 HydrophobicContact CD1-CB 3.95Å; M680-H686 WeakPolarHBondContact O-CA 3.08Å; E681-H686 IonicContact OE1-CE1 2.75Å |
| 687 | V | 76.7 | Confident | 73.5 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.8 | 177.9 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | S650 N652 M680 Y689 | S650-V687 CarbonylContact O-C 3.57Å; S650-V687 WeakPolarHBondContact O-CA 3.05Å; S650-V687 WeakPolarHBondContact O-CG1 3.47Å; N652-V687 HydrophobicContact CB-CG1 4.15Å; M680-V687 PolarHBondContact N-O 3.16Å; M680-V687 PolarHBondContact O-N 3.5Å; V687-Y689 HydrophobicContact CB-CE2 3.73Å; V687-Y689 HydrophobicContact CG1-CD2 4.22Å; V687-Y689 HydrophobicContact CG1-CE1 4.07Å; V687-Y689 HydrophobicContact CG1-CE2 3.48Å; V687-Y689 VanDerWaalsContact CG1-CE2 3.48Å; V687-Y689 WeakPolarHBondContact CG1-OH 3.49Å |
| 688 | V | 79 | Confident | 72.5 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.2 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | V627 L649 S650 I651 N652 F677 Y678 L679 L691 | V627-V688 HydrophobicContact CG2-CG1 4.15Å; L649-V688 HydrophobicContact CD2-CG2 3.83Å; S650-V688 PolarHBondContact O-N 3.14Å; I651-V688 HydrophobicContact CG1-CB 4.15Å; N652-V688 PolarHBondContact N-O 3.25Å; F677-V688 HydrophobicContact CB-CG1 3.86Å; F677-V688 HydrophobicContact CD2-CG1 3.61Å; F677-V688 HydrophobicContact CE2-CG1 4.41Å; F677-V688 HydrophobicContact CG-CG1 3.96Å; Y678-V688 CarbonylContact O-C 3.58Å; Y678-V688 WeakPolarHBondContact O-CA 3.19Å; L679-V688 HydrophobicContact CD1-CG2 3.67Å; V688-L691 HydrophobicContact CG1-CD1 3.72Å; V688-L691 HydrophobicContact CG1-CG 4.26Å |
| 689 | Y | 79.4 | Confident | 71.5 | Confident | 13 Ų | 13 | 79.4 Ų | 79.4 | 5% | 0.051 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 154.1 | -180 | -59.4 | -88.7 | 0 | 0 | 0 | 112.4 | N652 Y657 Y678 M680 V687 L691 | N652-Y689 HydrophobicContact CB-CD1 3.86Å; N652-Y689 HydrophobicContact CB-CE1 3.58Å; Y657-Y689 HydrophobicContact CD1-CD1 4.27Å; Y657-Y689 HydrophobicContact CD1-CG 4.22Å; Y657-Y689 HydrophobicContact CG-CD1 4.43Å; Y657-Y689 HydrophobicContact CG-CG 4.25Å; Y678-Y689 PolarHBondContact N-O 2.97Å; Y678-Y689 PolarHBondContact O-N 2.93Å; M680-Y689 HydrophobicContact CB-CE2 4.03Å; M680-Y689 HydrophobicContact SD-CE2 4.34Å; V687-Y689 HydrophobicContact CB-CE2 3.73Å; V687-Y689 HydrophobicContact CG1-CD2 4.22Å; V687-Y689 HydrophobicContact CG1-CE1 4.07Å; V687-Y689 HydrophobicContact CG1-CE2 3.48Å; V687-Y689 VanDerWaalsContact CG1-CE2 3.48Å; V687-Y689 WeakPolarHBondContact CG1-OH 3.49Å; Y689-L691 PolarHBondContact O-N 3.02Å |
| 690 | N | 75.6 | Confident | 70.8 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 40% | 0.401 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 56.5 | 166.2 | -168 | 20.8 | 0 | 0 | 0 | 113.9 | Y657 Y678 N692 | Y657-N690 HydrophobicContact CE1-CB 4.19Å; Y678-N690 HydrophobicContact CD2-CB 4.17Å; N690-N692 PolarHBondContact O-N 2.04Å; N690-N692 PolarHBondContact OD1-ND2 2.99Å |
| 691 | L | 78.3 | Confident | 70.2 | Confident | 39 Ų | 39 | 86.7 Ų | 86.7 | 20% | 0.204 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 122.1 | 176 | -71.1 | 78.9 | 0 | 0 | 0 | 110.4 | V627 L631 I651 F677 V688 Y689 | V627-L691 HydrophobicContact CB-CD2 4.41Å; V627-L691 HydrophobicContact CG1-CD2 3.83Å; V627-L691 HydrophobicContact CG1-CG 4.4Å; V627-L691 HydrophobicContact CG2-CD2 4.39Å; L631-L691 HydrophobicContact CD1-CD2 4.41Å; L631-L691 HydrophobicContact CD2-CB 4.17Å; L631-L691 HydrophobicContact CD2-CD2 4.43Å; L631-L691 HydrophobicContact CG-CD2 4.09Å; I651-L691 HydrophobicContact CD1-CD2 4.47Å; I651-L691 HydrophobicContact CG2-CD1 3.8Å; F677-L691 HydrophobicContact CB-CG 4.29Å; V688-L691 HydrophobicContact CG1-CD1 3.72Å; V688-L691 HydrophobicContact CG1-CG 4.26Å; Y689-L691 PolarHBondContact O-N 3.02Å |
| 692 | N | 75.1 | Confident | 70 | Confident | 77 Ų | 77 | 85 Ų | 85 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.3 | 176.5 | -77.7 | -50.9 | 0 | 0 | 0 | 111.7 | V675 S676 N690 | V675-N692 CarbonylContact C-O 3.26Å; V675-N692 VanDerWaalsContact CA-O 3.26Å; V675-N692 WeakPolarHBondContact CA-O 3.31Å; S676-N692 PolarHBondContact N-O 3.07Å; S676-N692 PolarHBondContact O-N 2.83Å; N690-N692 PolarHBondContact O-N 2.04Å; N690-N692 PolarHBondContact OD1-ND2 2.99Å |
| 693 | M | 77.3 | Confident | 70.1 | Confident | 78 Ų | 78 | 82 Ų | 82 | 38% | 0.384 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.6 | 176.5 | -174 | 175.2 | -175.6 | 0 | 0 | 110.5 | C673 K674 V675 | C673-M693 HydrophobicContact CB-CE 3.41Å; C673-M693 VanDerWaalsContact CB-CE 3.41Å; C673-M693 HydrophobicContact CB-CG 4.33Å; C673-M693 WeakPolarHBondContact SG-CE 3Å; K674-M693 WeakPolarHBondContact O-CA 3.46Å; V675-M693 HydrophobicContact CG2-CB 4.09Å; V675-M693 HydrophobicContact CG2-CG 3.98Å |
| 694 | Y | 76.5 | Confident | 70.8 | Confident | 107 Ų | 107 | 78.9 Ų | 78.9 | 42% | 0.42 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 164.8 | -176.4 | 60.4 | -85.2 | 0 | 0 | 0 | 112.4 | K674 S676 | K674-Y694 HydrophobicContact CB-CD2 4.44Å; K674-Y694 HydrophobicContact CB-CE2 4.12Å; K674-Y694 HydrophobicContact CD-CE2 4.46Å; K674-Y694 PolarHBondContact N-O 2.89Å; K674-Y694 PolarHBondContact O-N 3.28Å; K674-Y694 VanDerWaalsContact O-O 3.08Å; S676-Y694 WeakPolarHBondContact OG-CE1 3.44Å |
| 695 | G | 69 | Low | 71.5 | Confident | 58 Ų | 58 | 78 Ų | 78 | 60% | 0.598 | 44% | 0.438 | S | S | * | . | trans | 75.4 | 23.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 696 | C | 72.7 | Confident | 71.8 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 134.8 | 169.3 | -62 | 0 | 0 | 0 | 0 | 110.2 | C673 E698 | C673-C696 HydrophobicContact CB-CB 4.29Å; C673-C696 WeakPolarHBondContact CB-SG 3.03Å; C673-C696 WeakPolarHBondContact SG-CA 3.28Å; C673-C696 WeakPolarHBondContact SG-CB 3.01Å; C673-C696 CovalentContact SG-SG 2.04Å; C673-C696 PolarHBondContact SG-SG 3.2Å; C696-E698 PolarHBondContact O-N 2.97Å |
| 697 | P | 67.8 | Low | 71.9 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 121.1 | 179 | 24 | -30.8 | 0 | 0 | 0 | 111.3 | E672 | E672-P697 HydrophobicContact CB-CG 4.42Š|
| 698 | E | 62.9 | Low | 72 | Confident | 180 Ų | 180 | 87.2 Ų | 87.2 | 84% | 0.841 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 141.3 | 170.8 | -66.2 | -178.1 | 179.7 | 0 | 0 | 110.3 | C696 | C696-E698 PolarHBondContact O-N 2.97Š|
| 699 | P | 60.5 | Low | 72.3 | Confident | 119 Ų | 119 | 91.4 Ų | 91.4 | 77% | 0.773 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 132.1 | -179.8 | 25.5 | -32.3 | 0 | 0 | 0 | 110.9 | N701 | P699-N701 PolarHBondContact O-N 3.03Š|
| 700 | P | 63.7 | Low | 72.4 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 66% | 0.656 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 135.1 | -175.1 | 25.3 | -32.9 | 0 | 0 | 0 | 111.8 | I702 | P700-I702 VanDerWaalsContact C-N 3.34Å; P700-I702 PolarHBondContact O-N 3.21Å |
| 701 | N | 62 | Low | 72.7 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | trans | -80.2 | 80.1 | -178 | -150.8 | -22.8 | 0 | 0 | 0 | 110.7 | P699 P703 M704 | P699-N701 PolarHBondContact O-N 3.03Å; N701-P703 WeakPolarHBondContact OD1-CD 3.4Å; N701-P703 WeakPolarHBondContact OD1-CG 3.35Å; N701-M704 WeakPolarHBondContact O-CB 3.24Å; N701-M704 PolarHBondContact O-N 2.88Å | ||
| 702 | I | 67.1 | Low | 72.9 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 60% | 0.595 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -44.2 | -44.3 | -176 | -59.2 | -175.2 | 0 | 0 | 0 | 114.7 | P700 M704 I705 I706 | P700-I702 VanDerWaalsContact C-N 3.34Å; P700-I702 PolarHBondContact O-N 3.21Å; I702-M704 VanDerWaalsContact C-N 3.32Å; I702-M704 PolarHBondContact O-N 2.03Å; I702-I705 PolarHBondContact O-N 3.03Å; I702-I706 HydrophobicContact CG2-CD1 4.23Å; I702-I706 PolarHBondContact O-N 3.14Å |
| 703 | P | 68.3 | Low | 73.5 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.1 | -30.5 | 180 | 22 | -32.1 | 0 | 0 | 0 | 114 | N701 L707 | N701-P703 WeakPolarHBondContact OD1-CD 3.4Å; N701-P703 WeakPolarHBondContact OD1-CG 3.35Å; P703-L707 WeakPolarHBondContact O-CB 3.22Å; P703-L707 PolarHBondContact O-N 3.02Å |
| 704 | M | 71.5 | Confident | 74 | Confident | 144 Ų | 144 | 98.1 Ų | 98.1 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -35 | -178.4 | -161.9 | -165.7 | -106 | 0 | 0 | 111.8 | N701 I702 L707 G708 | N701-M704 WeakPolarHBondContact O-CB 3.24Å; N701-M704 PolarHBondContact O-N 2.88Å; I702-M704 VanDerWaalsContact C-N 3.32Å; I702-M704 PolarHBondContact O-N 2.03Å; M704-L707 PolarHBondContact O-N 3.46Å; M704-G708 PolarHBondContact O-N 3.22Å |
| 705 | I | 74.2 | Confident | 74.5 | Confident | 106 Ų | 106 | 96 Ų | 96 | 54% | 0.544 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68 | -43.7 | 178.8 | -60.6 | 175.9 | 0 | 0 | 0 | 110.5 | I702 L707 G708 V709 | I702-I705 PolarHBondContact O-N 3.03Å; I705-L707 VanDerWaalsContact C-N 3.31Å; I705-L707 PolarHBondContact O-N 3.25Å; I705-G708 PolarHBondContact O-N 2.96Å; I705-V709 WeakPolarHBondContact O-CG2 3.36Å; I705-V709 PolarHBondContact O-N 3.33Å; I705-V709 VanDerWaalsContact O-N 3.09Å |
| 706 | I | 76.1 | Confident | 75.5 | Confident | 115 Ų | 115 | 98 Ų | 98 | 59% | 0.59 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -42.5 | 178.1 | -64.1 | 173.1 | 0 | 0 | 0 | 110.7 | I702 S710 | I702-I706 HydrophobicContact CG2-CD1 4.23Å; I702-I706 PolarHBondContact O-N 3.14Å; I706-S710 PolarHBondContact O-N 2.87Å; I706-S710 VanDerWaalsContact O-N 3.14Å; I706-S710 PolarHBondContact O-OG 2.04Å |
| 707 | L | 76.7 | Confident | 76.2 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.4 | -39.7 | -179.2 | -149.4 | 145.4 | 0 | 0 | 0 | 111.6 | P703 M704 I705 S710 L711 | P703-L707 WeakPolarHBondContact O-CB 3.22Å; P703-L707 PolarHBondContact O-N 3.02Å; M704-L707 PolarHBondContact O-N 3.46Å; I705-L707 VanDerWaalsContact C-N 3.31Å; I705-L707 PolarHBondContact O-N 3.25Å; L707-S710 PolarHBondContact O-OG 3.08Å; L707-L711 WeakPolarHBondContact O-CB 3Å; L707-L711 PolarHBondContact O-N 3.13Å |
| 708 | G | 79.1 | Confident | 77.2 | Confident | 42 Ų | 42 | 96.1 Ų | 96.1 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.1 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M704 I705 S712 | M704-G708 PolarHBondContact O-N 3.22Å; I705-G708 PolarHBondContact O-N 2.96Å; G708-S712 WeakPolarHBondContact O-CB 3.14Å; G708-S712 PolarHBondContact O-N 3.2Å; G708-S712 VanDerWaalsContact O-N 3.08Å; G708-S712 PolarHBondContact O-OG 3.24Å |
| 709 | V | 84.9 | Confident | 78.4 | Confident | 88 Ų | 88 | 92.2 Ų | 92.2 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | -179.5 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | I705 L711 S712 V713 | I705-V709 WeakPolarHBondContact O-CG2 3.36Å; I705-V709 PolarHBondContact O-N 3.33Å; I705-V709 VanDerWaalsContact O-N 3.09Å; V709-L711 PolarHBondContact O-N 2.84Å; V709-S712 PolarHBondContact O-N 3.24Å; V709-S712 PolarHBondContact O-OG 2.84Å; V709-V713 WeakPolarHBondContact O-CG2 3.46Å; V709-V713 PolarHBondContact O-N 2.8Å |
| 710 | S | 81.1 | Confident | 79.7 | Confident | 64 Ų | 64 | 92.1 Ų | 92.1 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 179.5 | 46.4 | 0 | 0 | 0 | 0 | 112.9 | I706 L707 S712 V714 | I706-S710 PolarHBondContact O-N 2.87Å; I706-S710 VanDerWaalsContact O-N 3.14Å; I706-S710 PolarHBondContact O-OG 2.04Å; L707-S710 PolarHBondContact O-OG 3.08Å; S710-S712 PolarHBondContact O-N 2.78Å; S710-V714 WeakPolarHBondContact O-CG2 3.34Å; S710-V714 PolarHBondContact O-N 3.29Å |
| 711 | L | 81.3 | Confident | 80.9 | Confident | 109 Ų | 109 | 93.1 Ų | 93.1 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -40.3 | 176.3 | -146.5 | 91.7 | 0 | 0 | 0 | 112 | L707 V709 V713 V714 C715 | L707-L711 WeakPolarHBondContact O-CB 3Å; L707-L711 PolarHBondContact O-N 3.13Å; V709-L711 PolarHBondContact O-N 2.84Å; L711-V713 PolarHBondContact O-N 3.38Å; L711-V714 PolarHBondContact O-N 3.26Å; L711-C715 WeakPolarHBondContact O-CB 3.12Å; L711-C715 PolarHBondContact O-N 2.04Å; L711-C715 PolarHBondContact O-SG 2.99Å |
| 712 | S | 82.6 | Confident | 82 | Confident | 55 Ų | 55 | 91.7 Ų | 91.7 | 39% | 0.385 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | -178.1 | 66.4 | 0 | 0 | 0 | 0 | 113 | G708 V709 S710 V714 C715 I716 | G708-S712 WeakPolarHBondContact O-CB 3.14Å; G708-S712 PolarHBondContact O-N 3.2Å; G708-S712 VanDerWaalsContact O-N 3.08Å; G708-S712 PolarHBondContact O-OG 3.24Å; V709-S712 PolarHBondContact O-N 3.24Å; V709-S712 PolarHBondContact O-OG 2.84Å; S710-S712 PolarHBondContact O-N 2.78Å; S712-V714 PolarHBondContact O-N 3.23Å; S712-C715 PolarHBondContact O-N 3.45Å; S712-I716 VanDerWaalsContact O-CG1 3.3Å; S712-I716 WeakPolarHBondContact O-CG1 3.39Å; S712-I716 PolarHBondContact O-N 2.66Å |
| 713 | V | 89.1 | Confident | 83 | Confident | 99 Ų | 99 | 89.7 Ų | 89.7 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | V709 L711 G717 | V709-V713 WeakPolarHBondContact O-CG2 3.46Å; V709-V713 PolarHBondContact O-N 2.8Å; L711-V713 PolarHBondContact O-N 3.38Å; V713-G717 PolarHBondContact O-N 2.02Å; V713-G717 VanDerWaalsContact O-N 3.13Å |
| 714 | V | 88.1 | Confident | 84 | Confident | 95 Ų | 95 | 94.6 Ų | 94.6 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.4 | -44.9 | 177.6 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | S710 L711 S712 I716 G717 V718 | S710-V714 WeakPolarHBondContact O-CG2 3.34Å; S710-V714 PolarHBondContact O-N 3.29Å; L711-V714 PolarHBondContact O-N 3.26Å; S712-V714 PolarHBondContact O-N 3.23Å; V714-I716 PolarHBondContact O-N 2.7Å; V714-G717 PolarHBondContact O-N 3.46Å; V714-V718 HydrophobicContact CG1-CG2 4.47Å; V714-V718 WeakPolarHBondContact O-CG2 3.01Å; V714-V718 PolarHBondContact O-N 3.44Å |
| 715 | C | 86.1 | Confident | 84.8 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 178.5 | -76.7 | 0 | 0 | 0 | 0 | 112.3 | L711 S712 G717 V718 I719 | L711-C715 WeakPolarHBondContact O-CB 3.12Å; L711-C715 PolarHBondContact O-N 2.04Å; L711-C715 PolarHBondContact O-SG 2.99Å; S712-C715 PolarHBondContact O-N 3.45Å; C715-G717 VanDerWaalsContact C-N 3.32Å; C715-G717 PolarHBondContact O-N 3.19Å; C715-V718 PolarHBondContact O-N 3.36Å; C715-I719 WeakPolarHBondContact O-CB 3.17Å; C715-I719 VanDerWaalsContact O-CG1 3.25Å; C715-I719 WeakPolarHBondContact O-CG1 3.28Å; C715-I719 PolarHBondContact O-N 2.59Å |
| 716 | I | 89.4 | Confident | 85.3 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 176.9 | -68.2 | 166.9 | 0 | 0 | 0 | 110.4 | S712 V714 V718 I719 L720 | S712-I716 VanDerWaalsContact O-CG1 3.3Å; S712-I716 WeakPolarHBondContact O-CG1 3.39Å; S712-I716 PolarHBondContact O-N 2.66Å; V714-I716 PolarHBondContact O-N 2.7Å; I716-V718 PolarHBondContact O-N 2.85Å; I716-I719 PolarHBondContact O-N 2.99Å; I716-L720 HydrophobicContact CG2-CD1 4.02Å; I716-L720 HydrophobicContact CG2-CG 4.48Å; I716-L720 WeakPolarHBondContact O-CG 3.48Å; I716-L720 PolarHBondContact O-N 3.43Å |
| 717 | G | 88.3 | Confident | 85.8 | Confident | 33 Ų | 33 | 92.9 Ų | 92.9 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V713 V714 C715 L721 | V713-G717 PolarHBondContact O-N 2.02Å; V713-G717 VanDerWaalsContact O-N 3.13Å; V714-G717 PolarHBondContact O-N 3.46Å; C715-G717 VanDerWaalsContact C-N 3.32Å; C715-G717 PolarHBondContact O-N 3.19Å; G717-L721 WeakPolarHBondContact O-CG 3.42Å; G717-L721 PolarHBondContact O-N 3.3Å; G717-L721 VanDerWaalsContact O-N 3.09Å |
| 718 | V | 88.3 | Confident | 86.3 | Confident | 81 Ų | 81 | 90.4 Ų | 90.4 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | V714 C715 I716 L720 L721 T722 | V714-V718 HydrophobicContact CG1-CG2 4.47Å; V714-V718 WeakPolarHBondContact O-CG2 3.01Å; V714-V718 PolarHBondContact O-N 3.44Å; C715-V718 PolarHBondContact O-N 3.36Å; I716-V718 PolarHBondContact O-N 2.85Å; V718-L720 PolarHBondContact O-N 3.39Å; V718-L721 PolarHBondContact O-N 2.88Å; V718-T722 HydrophobicContact CG1-CG2 4.24Å; V718-T722 WeakPolarHBondContact O-CG2 2.99Å; V718-T722 PolarHBondContact O-N 3.26Å; V718-T722 PolarHBondContact O-OG1 3.26Å |
| 719 | I | 87.9 | Confident | 86.6 | Confident | 99 Ų | 99 | 91.4 Ų | 91.4 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 178.2 | -69.8 | 165.7 | 0 | 0 | 0 | 110.1 | C715 I716 L721 T722 V723 | C715-I719 WeakPolarHBondContact O-CB 3.17Å; C715-I719 VanDerWaalsContact O-CG1 3.25Å; C715-I719 WeakPolarHBondContact O-CG1 3.28Å; C715-I719 PolarHBondContact O-N 2.59Å; I716-I719 PolarHBondContact O-N 2.99Å; I719-L721 VanDerWaalsContact C-N 3.3Å; I719-L721 PolarHBondContact O-N 3.2Å; I719-T722 WeakPolarHBondContact CA-OG1 3.49Å; I719-T722 PolarHBondContact O-N 3.35Å; I719-T722 VanDerWaalsContact O-N 3.14Å; I719-T722 PolarHBondContact O-OG1 2.88Å; I719-V723 HydrophobicContact CG2-CG2 4.25Å; I719-V723 WeakPolarHBondContact O-CG2 3.19Å; I719-V723 PolarHBondContact O-N 3.22Å |
| 720 | L | 88.2 | Confident | 86.7 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.3 | -39.4 | 178.1 | -71.2 | 172.1 | 0 | 0 | 0 | 112.3 | I716 V718 W724 | I716-L720 HydrophobicContact CG2-CD1 4.02Å; I716-L720 HydrophobicContact CG2-CG 4.48Å; I716-L720 WeakPolarHBondContact O-CG 3.48Å; I716-L720 PolarHBondContact O-N 3.43Å; V718-L720 PolarHBondContact O-N 3.39Å; L720-W724 VanDerWaalsContact O-CB 3.29Å; L720-W724 WeakPolarHBondContact O-CB 3.41Å; L720-W724 PolarHBondContact O-N 2.9Å |
| 721 | L | 88.4 | Confident | 86.8 | Confident | 122 Ų | 122 | 93.5 Ų | 93.5 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 174.8 | -73.2 | 173.4 | 0 | 0 | 0 | 112.7 | G717 V718 I719 K725 | G717-L721 WeakPolarHBondContact O-CG 3.42Å; G717-L721 PolarHBondContact O-N 3.3Å; G717-L721 VanDerWaalsContact O-N 3.09Å; V718-L721 PolarHBondContact O-N 2.88Å; I719-L721 VanDerWaalsContact C-N 3.3Å; I719-L721 PolarHBondContact O-N 3.2Å; L721-K725 VanDerWaalsContact O-CB 3.31Å; L721-K725 WeakPolarHBondContact O-CB 3.27Å; L721-K725 PolarHBondContact O-N 2.9Å |
| 722 | T | 84.8 | Confident | 87 | Confident | 79 Ų | 79 | 92.6 Ų | 92.6 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 112 | V718 I719 K725 A726 | V718-T722 HydrophobicContact CG1-CG2 4.24Å; V718-T722 WeakPolarHBondContact O-CG2 2.99Å; V718-T722 PolarHBondContact O-N 3.26Å; V718-T722 PolarHBondContact O-OG1 3.26Å; I719-T722 WeakPolarHBondContact CA-OG1 3.49Å; I719-T722 PolarHBondContact O-N 3.35Å; I719-T722 VanDerWaalsContact O-N 3.14Å; I719-T722 PolarHBondContact O-OG1 2.88Å; T722-K725 PolarHBondContact O-N 3.27Å; T722-A726 VanDerWaalsContact O-CB 3.27Å; T722-A726 WeakPolarHBondContact O-CB 3.47Å; T722-A726 PolarHBondContact O-N 3.14Å |
| 723 | V | 88 | Confident | 87 | Confident | 74 Ų | 74 | 99.2 Ų | 99.2 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | I719 K725 A726 L727 | I719-V723 HydrophobicContact CG2-CG2 4.25Å; I719-V723 WeakPolarHBondContact O-CG2 3.19Å; I719-V723 PolarHBondContact O-N 3.22Å; V723-K725 PolarHBondContact O-N 2.94Å; V723-A726 PolarHBondContact O-N 2.91Å; V723-L727 HydrophobicContact CG1-CD1 3.98Å; V723-L727 HydrophobicContact CG1-CG 4.35Å; V723-L727 WeakPolarHBondContact O-CB 3.47Å; V723-L727 VanDerWaalsContact O-CG 3.31Å; V723-L727 WeakPolarHBondContact O-CG 3.14Å; V723-L727 PolarHBondContact O-N 3.42Å |
| 724 | W | 89.4 | Confident | 86.8 | Confident | 188 Ų | 188 | 99.5 Ų | 99.5 | 71% | 0.712 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -55.3 | -51.6 | 173.2 | -179.5 | -58.4 | 0 | 0 | 0 | 110.9 | L720 A726 L727 V728 | L720-W724 VanDerWaalsContact O-CB 3.29Å; L720-W724 WeakPolarHBondContact O-CB 3.41Å; L720-W724 PolarHBondContact O-N 2.9Å; W724-A726 VanDerWaalsContact C-N 3.32Å; W724-A726 PolarHBondContact O-N 2.04Å; W724-L727 PolarHBondContact O-N 3.05Å; W724-V728 WeakPolarHBondContact O-CG2 3.43Å; W724-V728 PolarHBondContact O-N 2.05Å |
| 725 | K | 88.8 | Confident | 86.6 | Confident | 156 Ų | 156 | 98.9 Ų | 98.9 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -33.4 | -176.8 | -166.2 | 165.1 | 178.1 | 72.8 | 0 | 112.2 | L721 T722 V723 S729 | L721-K725 VanDerWaalsContact O-CB 3.31Å; L721-K725 WeakPolarHBondContact O-CB 3.27Å; L721-K725 PolarHBondContact O-N 2.9Å; T722-K725 PolarHBondContact O-N 3.27Å; V723-K725 PolarHBondContact O-N 2.94Å; K725-S729 WeakPolarHBondContact O-CB 3.36Å; K725-S729 PolarHBondContact O-N 2.95Å |
| 726 | A | 85.6 | Confident | 86.5 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -46.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T722 V723 W724 V728 S729 V730 | T722-A726 VanDerWaalsContact O-CB 3.27Å; T722-A726 WeakPolarHBondContact O-CB 3.47Å; T722-A726 PolarHBondContact O-N 3.14Å; V723-A726 PolarHBondContact O-N 2.91Å; W724-A726 VanDerWaalsContact C-N 3.32Å; W724-A726 PolarHBondContact O-N 2.04Å; A726-V728 PolarHBondContact O-N 3.02Å; A726-S729 PolarHBondContact O-N 3.36Å; A726-V730 WeakPolarHBondContact O-CB 3.16Å; A726-V730 VanDerWaalsContact O-CG2 3.29Å; A726-V730 WeakPolarHBondContact O-CG2 3.4Å; A726-V730 PolarHBondContact O-N 3.18Å |
| 727 | L | 86.4 | Confident | 86.1 | Confident | 119 Ų | 119 | 97.3 Ų | 97.3 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -45.5 | 176.9 | -73.3 | 173.8 | 0 | 0 | 0 | 111.6 | V723 W724 V730 H731 | V723-L727 HydrophobicContact CG1-CD1 3.98Å; V723-L727 HydrophobicContact CG1-CG 4.35Å; V723-L727 WeakPolarHBondContact O-CB 3.47Å; V723-L727 VanDerWaalsContact O-CG 3.31Å; V723-L727 WeakPolarHBondContact O-CG 3.14Å; V723-L727 PolarHBondContact O-N 3.42Å; W724-L727 PolarHBondContact O-N 3.05Å; L727-V730 PolarHBondContact O-N 3.41Å; L727-H731 WeakPolarHBondContact O-CB 3.44Å; L727-H731 PolarHBondContact O-N 2.98Å |
| 728 | V | 87.2 | Confident | 85.7 | Confident | 62 Ų | 62 | 102.9 Ų | 102.9 | 38% | 0.376 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | W724 A726 V730 H731 D732 | W724-V728 WeakPolarHBondContact O-CG2 3.43Å; W724-V728 PolarHBondContact O-N 2.05Å; A726-V728 PolarHBondContact O-N 3.02Å; V728-V730 VanDerWaalsContact C-N 3.31Å; V728-V730 PolarHBondContact O-N 3.37Å; V728-H731 PolarHBondContact O-N 3.02Å; V728-D732 WeakPolarHBondContact O-CB 3.41Å; V728-D732 PolarHBondContact O-N 2.84Å |
| 729 | S | 85.1 | Confident | 85.3 | Confident | 63 Ų | 63 | 105.2 Ų | 105.2 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -31.8 | 179.2 | -174.1 | 0 | 0 | 0 | 0 | 113.2 | K725 A726 R733 | K725-S729 WeakPolarHBondContact O-CB 3.36Å; K725-S729 PolarHBondContact O-N 2.95Å; A726-S729 PolarHBondContact O-N 3.36Å; S729-R733 VanDerWaalsContact O-CB 3.3Å; S729-R733 WeakPolarHBondContact O-CB 3.47Å; S729-R733 PolarHBondContact O-N 3.17Å |
| 730 | V | 85.9 | Confident | 84.7 | Confident | 84 Ų | 84 | 106.3 Ų | 106.3 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73 | -41.9 | 173.9 | 169.5 | 0 | 0 | 0 | 0 | 110.2 | A726 L727 V728 R733 N734 | A726-V730 WeakPolarHBondContact O-CB 3.16Å; A726-V730 VanDerWaalsContact O-CG2 3.29Å; A726-V730 WeakPolarHBondContact O-CG2 3.4Å; A726-V730 PolarHBondContact O-N 3.18Å; L727-V730 PolarHBondContact O-N 3.41Å; V728-V730 VanDerWaalsContact C-N 3.31Å; V728-V730 PolarHBondContact O-N 3.37Å; V730-R733 PolarHBondContact O-N 2.89Å; V730-N734 WeakPolarHBondContact O-CB 3.48Å; V730-N734 PolarHBondContact O-N 2.1Å |
| 731 | H | 84.9 | Confident | 84.2 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 174.7 | -171.5 | 63 | 0 | 0 | 0 | 111.1 | L727 V728 R733 N734 E735 | L727-H731 WeakPolarHBondContact O-CB 3.44Å; L727-H731 PolarHBondContact O-N 2.98Å; V728-H731 PolarHBondContact O-N 3.02Å; H731-R733 PolarHBondContact O-N 3.01Å; H731-N734 PolarHBondContact O-N 2.99Å; H731-N734 VanDerWaalsContact O-N 3.16Å; H731-E735 IonicContact CE1-OE1 3.99Å; H731-E735 WeakPolarHBondContact O-CG 3Å; H731-E735 PolarHBondContact O-N 3.06Å |
| 732 | D | 83.9 | Confident | 83.6 | Confident | 90 Ų | 90 | 102.6 Ų | 102.6 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175 | -77.9 | -10.2 | 0 | 0 | 0 | 111.8 | V728 E735 V736 | V728-D732 WeakPolarHBondContact O-CB 3.41Å; V728-D732 PolarHBondContact O-N 2.84Å; D732-E735 PolarHBondContact O-N 2.88Å; D732-V736 WeakPolarHBondContact O-CB 3.1Å; D732-V736 WeakPolarHBondContact O-CG2 3.37Å; D732-V736 PolarHBondContact O-N 3.42Å |
| 733 | R | 83.9 | Confident | 82.8 | Confident | 193 Ų | 193 | 107.1 Ų | 107.1 | 73% | 0.728 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 174.2 | -97 | -175 | 160.5 | -179.3 | -4.1 | 112.4 | S729 V730 H731 A737 | S729-R733 VanDerWaalsContact O-CB 3.3Å; S729-R733 WeakPolarHBondContact O-CB 3.47Å; S729-R733 PolarHBondContact O-N 3.17Å; V730-R733 PolarHBondContact O-N 2.89Å; H731-R733 PolarHBondContact O-N 3.01Å; R733-A737 WeakPolarHBondContact O-CB 3.21Å; R733-A737 PolarHBondContact O-N 2.03Å |
| 734 | N | 83.8 | Confident | 81.8 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.2 | -40.1 | 176.7 | -82.6 | -6.9 | 0 | 0 | 0 | 111.3 | V730 H731 A737 R738 | V730-N734 WeakPolarHBondContact O-CB 3.48Å; V730-N734 PolarHBondContact O-N 2.1Å; H731-N734 PolarHBondContact O-N 2.99Å; H731-N734 VanDerWaalsContact O-N 3.16Å; N734-A737 PolarHBondContact O-N 2.03Å; N734-R738 WeakPolarHBondContact O-CB 3.4Å; N734-R738 PolarHBondContact O-N 3.31Å |
| 735 | E | 83.8 | Confident | 80.7 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 38% | 0.383 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 174.9 | -72.5 | -59.6 | 144.6 | 0 | 0 | 111.8 | H731 D732 R738 F739 | H731-E735 IonicContact CE1-OE1 3.99Å; H731-E735 WeakPolarHBondContact O-CG 3Å; H731-E735 PolarHBondContact O-N 3.06Å; D732-E735 PolarHBondContact O-N 2.88Å; E735-R738 WeakPolarHBondContact O-CB 3.1Å; E735-R738 PolarHBondContact O-N 3.11Å; E735-R738 IonicContact OE1-NH1 3.98Å; E735-F739 VanDerWaalsContact O-CB 3.26Å; E735-F739 WeakPolarHBondContact O-CB 2.96Å; E735-F739 PolarHBondContact O-N 2.82Å |
| 736 | V | 83.3 | Confident | 79.2 | Confident | 79 Ų | 79 | 103.6 Ų | 103.6 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 172.6 | 170.2 | 0 | 0 | 0 | 0 | 111 | D732 R738 F739 E740 | D732-V736 WeakPolarHBondContact O-CB 3.1Å; D732-V736 WeakPolarHBondContact O-CG2 3.37Å; D732-V736 PolarHBondContact O-N 3.42Å; V736-R738 VanDerWaalsContact C-N 3.29Å; V736-R738 PolarHBondContact O-N 2.99Å; V736-F739 CarbonylContact O-C 3.5Å; V736-F739 PolarHBondContact O-N 3.35Å; V736-E740 HydrophobicContact CG1-CG 4.32Å; V736-E740 WeakPolarHBondContact O-CB 3.33Å; V736-E740 WeakPolarHBondContact O-CG 3.02Å; V736-E740 PolarHBondContact O-N 3Å |
| 737 | A | 81.6 | Confident | 77.4 | Confident | 53 Ų | 53 | 110.4 Ų | 110.4 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R733 N734 A741 | R733-A737 WeakPolarHBondContact O-CB 3.21Å; R733-A737 PolarHBondContact O-N 2.03Å; N734-A737 PolarHBondContact O-N 2.03Å; A737-A741 WeakPolarHBondContact O-CB 3.43Å; A737-A741 PolarHBondContact O-N 3.23Å |
| 738 | R | 80.9 | Confident | 75.6 | Confident | 150 Ų | 150 | 115.5 Ų | 115.5 | 57% | 0.566 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -44 | 172.3 | -172 | -179.3 | -173.2 | 168 | 5.1 | 111.2 | N734 E735 V736 A741 E742 | N734-R738 WeakPolarHBondContact O-CB 3.4Å; N734-R738 PolarHBondContact O-N 3.31Å; E735-R738 WeakPolarHBondContact O-CB 3.1Å; E735-R738 PolarHBondContact O-N 3.11Å; E735-R738 IonicContact OE1-NH1 3.98Å; V736-R738 VanDerWaalsContact C-N 3.29Å; V736-R738 PolarHBondContact O-N 2.99Å; R738-A741 PolarHBondContact O-N 2.93Å; R738-E742 IonicContact NE-OE1 2.65Å; R738-E742 WeakPolarHBondContact O-CB 2.96Å; R738-E742 WeakPolarHBondContact O-CG 3.05Å; R738-E742 PolarHBondContact O-N 2.8Å |
| 739 | F | 78.6 | Confident | 73.5 | Confident | 129 Ų | 129 | 120.2 Ų | 120.2 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.9 | -38.2 | 177 | -168.2 | -95.6 | 0 | 0 | 0 | 112.5 | E735 V736 E742 R743 | E735-F739 VanDerWaalsContact O-CB 3.26Å; E735-F739 WeakPolarHBondContact O-CB 2.96Å; E735-F739 PolarHBondContact O-N 2.82Å; V736-F739 CarbonylContact O-C 3.5Å; V736-F739 PolarHBondContact O-N 3.35Å; F739-E742 PolarHBondContact O-N 3.18Å; F739-R743 HydrophobicContact CD1-CG 4.38Å; F739-R743 HydrophobicContact CE1-CG 4.1Å; F739-R743 WeakPolarHBondContact O-CB 3.47Å; F739-R743 PolarHBondContact O-N 3.24Å |
| 740 | E | 76.9 | Confident | 71.6 | Confident | 123 Ų | 123 | 124.5 Ų | 124.5 | 58% | 0.575 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.1 | -37.6 | 173.7 | -75.2 | -173.4 | 166.3 | 0 | 0 | 111.7 | V736 E742 R743 A744 | V736-E740 HydrophobicContact CG1-CG 4.32Å; V736-E740 WeakPolarHBondContact O-CB 3.33Å; V736-E740 WeakPolarHBondContact O-CG 3.02Å; V736-E740 PolarHBondContact O-N 3Å; E740-E742 VanDerWaalsContact C-N 3.34Å; E740-R743 PolarHBondContact O-N 3.05Å; E740-A744 VanDerWaalsContact O-CB 3.29Å; E740-A744 WeakPolarHBondContact O-CB 3.07Å; E740-A744 PolarHBondContact O-N 3.28Å |
| 741 | A | 76.1 | Confident | 69.8 | Low | 51 Ų | 51 | 123.5 Ų | 123.5 | 42% | 0.421 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.4 | -35.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A737 R738 K745 | A737-A741 WeakPolarHBondContact O-CB 3.43Å; A737-A741 PolarHBondContact O-N 3.23Å; R738-A741 PolarHBondContact O-N 2.93Å; A741-K745 WeakPolarHBondContact O-CG 3.22Å; A741-K745 PolarHBondContact O-N 3.2Å |
| 742 | E | 76.1 | Confident | 67.8 | Low | 108 Ų | 108 | 124.4 Ų | 124.4 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.4 | -41.2 | 170.9 | -75.2 | 179.2 | -174.5 | 0 | 0 | 111.6 | R738 F739 E740 A744 K745 V746 | R738-E742 IonicContact NE-OE1 2.65Å; R738-E742 WeakPolarHBondContact O-CB 2.96Å; R738-E742 WeakPolarHBondContact O-CG 3.05Å; R738-E742 PolarHBondContact O-N 2.8Å; F739-E742 PolarHBondContact O-N 3.18Å; E740-E742 VanDerWaalsContact C-N 3.34Å; E742-A744 PolarHBondContact O-N 3.21Å; E742-K745 PolarHBondContact O-N 2.79Å; E742-V746 WeakPolarHBondContact O-CG2 3.33Å |
| 743 | R | 68.6 | Low | 66.2 | Low | 174 Ų | 174 | 125.8 Ų | 125.8 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63 | -38.5 | 171.7 | -90.1 | -174 | 66.8 | -177.8 | -0.2 | 113 | F739 E740 K745 V746 | F739-R743 HydrophobicContact CD1-CG 4.38Å; F739-R743 HydrophobicContact CE1-CG 4.1Å; F739-R743 WeakPolarHBondContact O-CB 3.47Å; F739-R743 PolarHBondContact O-N 3.24Å; E740-R743 PolarHBondContact O-N 3.05Å; R743-K745 VanDerWaalsContact C-N 3.26Å; R743-K745 PolarHBondContact O-N 3.32Å; R743-V746 WeakPolarHBondContact O-CA 3.46Å; R743-V746 WeakPolarHBondContact O-CB 3.05Å; R743-V746 PolarHBondContact O-N 3.15Å |
| 744 | A | 67.3 | Low | 64.6 | Low | 81 Ų | 81 | 122.5 Ų | 122.5 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.2 | -23.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E740 E742 V746 | E740-A744 VanDerWaalsContact O-CB 3.29Å; E740-A744 WeakPolarHBondContact O-CB 3.07Å; E740-A744 PolarHBondContact O-N 3.28Å; E742-A744 PolarHBondContact O-N 3.21Å; A744-V746 PolarHBondContact O-N 3.41Å |
| 745 | K | 65.4 | Low | 63.1 | Low | 181 Ų | 181 | 125.3 Ų | 125.3 | 79% | 0.787 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -10.8 | 168.9 | -74.1 | 174.3 | -179.2 | 175.1 | 0 | 113 | A741 E742 R743 | A741-K745 WeakPolarHBondContact O-CG 3.22Å; A741-K745 PolarHBondContact O-N 3.2Å; E742-K745 PolarHBondContact O-N 2.79Å; R743-K745 VanDerWaalsContact C-N 3.26Å; R743-K745 PolarHBondContact O-N 3.32Å |
| 746 | V | 57.2 | Low | 61.9 | Low | 82 Ų | 82 | 129.7 Ų | 129.7 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | trans | -102.5 | 81.7 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | E742 R743 A744 W748 | E742-V746 WeakPolarHBondContact O-CG2 3.33Å; R743-V746 WeakPolarHBondContact O-CA 3.46Å; R743-V746 WeakPolarHBondContact O-CB 3.05Å; R743-V746 PolarHBondContact O-N 3.15Å; A744-V746 PolarHBondContact O-N 3.41Å; V746-W748 VanDerWaalsContact CG1-CD1 3.43Å; V746-W748 PolarHBondContact O-N 3Å | ||
| 747 | K | 48.9 | Very low | 60.2 | Low | 196 Ų | 196 | 135.8 Ų | 135.8 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | trans | -68.4 | 105.9 | 165.2 | -90.3 | -179.9 | 174.9 | 175 | 0 | 109.2 | ||||
| 748 | W | 48.7 | Very low | 58.5 | Low | 226 Ų | 226 | 138.4 Ų | 138.4 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | -92.4 | 109.8 | 157.2 | -69.8 | 93 | 0 | 0 | 0 | 108.6 | V746 T750 | V746-W748 VanDerWaalsContact CG1-CD1 3.43Å; V746-W748 PolarHBondContact O-N 3Å; W748-T750 PolarHBondContact O-N 2.81Å | ||
| 749 | Q | 41.8 | Very low | 56.5 | Low | 162 Ų | 162 | 136.5 Ų | 136.5 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | trans | -70.3 | 114 | 163.6 | -74.8 | -175.1 | -35 | 0 | 0 | 108.3 | G751 | Q749-G751 PolarHBondContact O-N 2.98Š| ||
| 750 | T | 46.8 | Very low | 54.9 | Low | 152 Ų | 152 | 136.9 Ų | 136.9 | 93% | 0.933 | 73% | 0.729 | S | S | * | * | trans | -72.5 | 94.6 | 162.4 | 14.9 | 0 | 0 | 0 | 0 | 108.8 | W748 | W748-T750 PolarHBondContact O-N 2.81Š| ||
| 751 | G | 46.3 | Very low | 53.1 | Low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 74.3 | 83.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q749 | Q749-G751 PolarHBondContact O-N 2.98Š|
| 752 | T | 44.3 | Very low | 51.5 | Low | 133 Ų | 133 | 139.9 Ų | 139.9 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | -168.4 | 127.5 | 132.9 | 17.4 | 0 | 0 | 0 | 0 | 110.2 | P754 | T752-P754 WeakPolarHBondContact O-CD 3.44Š| ||
| 753 | N | 49.8 | Very low | 49.9 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | trans | -70.2 | 116.6 | -171.2 | 179.8 | -6.9 | 0 | 0 | 0 | 111.8 | L755 | N753-L755 PolarHBondContact O-N 3.48Å; N753-L755 PolarHBondContact OD1-N 3.02Å | ||
| 754 | P | 50.3 | Low | 48.6 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 9.6 | -173 | 26.6 | -30.4 | 0 | 0 | 0 | 115.8 | T752 F756 | T752-P754 WeakPolarHBondContact O-CD 3.44Å; P754-F756 VanDerWaalsContact C-N 3.33Å |
| 755 | L | 52.8 | Low | 47.1 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 3.5 | 168.8 | -82.1 | 169.5 | 0 | 0 | 0 | 114.8 | N753 | N753-L755 PolarHBondContact O-N 3.48Å; N753-L755 PolarHBondContact OD1-N 3.02Å |
| 756 | F | 58.5 | Low | 46 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 77% | 0.768 | 78% | 0.784 | S | S | * | * | trans | -118.4 | 115.6 | -176.2 | -162.8 | -100.1 | 0 | 0 | 0 | 112.7 | P754 | P754-F756 VanDerWaalsContact C-N 3.33Š| ||
| 757 | K | 46.7 | Very low | 45 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -103 | 126.5 | 172.4 | -78.9 | -178.2 | 175.5 | 177.9 | 0 | 109.6 | ||||
| 758 | S | 46.9 | Very low | 44.3 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -106.8 | 147.2 | 163.9 | 101.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 759 | S | 38.5 | Very low | 43.6 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -108.4 | 92.7 | -160.8 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 760 | T | 44.5 | Very low | 43.3 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -165.9 | 125.5 | 155 | -14.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 761 | S | 38.8 | Very low | 43 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -95.5 | 136.4 | 174.8 | 46.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 762 | T | 43.7 | Very low | 42.6 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -127.4 | 124.5 | 169.8 | -27.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 763 | F | 42.4 | Very low | 42.3 | Very low | 181 Ų | 181 | 150 Ų | 150 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -87.2 | 150.6 | -161.7 | -78.2 | -106.8 | 0 | 0 | 0 | 113.2 | ||||
| 764 | K | 40.9 | Very low | 42 | Very low | 212 Ų | 212 | 154 Ų | 154 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | trans | -91.5 | 120.6 | 160.9 | -125.5 | -179.2 | -176.4 | 179.9 | 0 | 107.9 | ||||
| 765 | N | 35.3 | Very low | 41.5 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -111.5 | 126.1 | 173.4 | -163.6 | -8.6 | 0 | 0 | 0 | 111.2 | ||||
| 766 | V | 42.6 | Very low | 40.6 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -94.2 | 109.1 | 174.3 | -111.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 767 | T | 36 | Very low | 39.7 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 165 | 106 | 150.7 | 26.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 768 | Y | 34.2 | Very low | 39.5 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | 160.2 | 107.3 | 146.4 | -110.5 | -117.3 | 0 | 0 | 0 | 107.4 | ||||
| 769 | K | 34.3 | Very low | 39.2 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | 103.9 | 123.9 | 82.2 | -115.5 | -161.8 | -166.9 | 157.8 | 0 | 109.2 | |||||
| 770 | N | 35.2 | Very low | 39.5 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 50.8 | 138.9 | 138.4 | -68.1 | -2.3 | 0 | 0 | 0 | 117.5 | ||||
| 771 | T | 40.1 | Very low | 39.2 | Very low | 123 Ų | 123 | 156 Ų | 156 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -179 | 155.8 | 47.9 | -19.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 772 | H | 38.2 | Very low | 39.3 | Very low | 181 Ų | 181 | 159.3 Ų | 159.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -33.2 | 149.1 | 161.3 | -67.8 | -88.3 | 0 | 0 | 0 | 116.4 | ||||
| 773 | R | 38.2 | Very low | 39 | Very low | 215 Ų | 215 | 160.1 Ų | 160.1 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | -171.4 | 132.7 | 111.7 | -135.2 | 172.3 | 159.1 | 151.2 | -5.3 | 113.1 | D775 | R773-D775 IonicContact CZ-OD2 3.28Å; R773-D775 VanDerWaalsContact CZ-OD2 3.28Å; R773-D775 IonicContact NE-OD2 2.87Å; R773-D775 PolarHBondContact NE-OD2 3.05Å; R773-D775 IonicContact NH2-OD2 2.89Å; R773-D775 PolarHBondContact NH2-OD2 3.42Å | |||
| 774 | K | 43.1 | Very low | 38.8 | Very low | 200 Ų | 200 | 158.9 Ų | 158.9 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | -91.5 | 140.2 | 149.3 | -82.3 | 179.8 | 171.5 | 179.8 | 0 | 107.2 | ||||
| 775 | D | 39.8 | Very low | 38.7 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 60% | 0.599 | 77% | 0.766 | S | S | * | * | trans | -159.1 | 114.3 | 153.6 | -97.4 | -34 | 0 | 0 | 0 | 105.5 | R773 | R773-D775 IonicContact CZ-OD2 3.28Å; R773-D775 VanDerWaalsContact CZ-OD2 3.28Å; R773-D775 IonicContact NE-OD2 2.87Å; R773-D775 PolarHBondContact NE-OD2 3.05Å; R773-D775 IonicContact NH2-OD2 2.89Å; R773-D775 PolarHBondContact NH2-OD2 3.42Å | ||
| 776 | C | 35.4 | Very low | 38.9 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | 66.8 | 93.6 | 81.2 | -74.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 777 | T | 39.4 | Very low | 38.7 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | 55.7 | 140.2 | 129.6 | 32.6 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 778 | I | 41.5 | Very low | 38.9 | Very low | 139 Ų | 139 | 161.1 Ų | 161.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 90.1 | 99.8 | 146.2 | -67.5 | 157 | 0 | 0 | 0 | 114.4 | ||||
| 779 | N | 40.6 | Very low | 39.2 | Very low | 120 Ų | 120 | 158.7 Ų | 158.7 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | 80.3 | 148.3 | 84.4 | -78.8 | -7.3 | 0 | 0 | 0 | 112 | |||||
| 780 | H | 44.9 | Very low | 39.7 | Very low | 154 Ų | 154 | 160 Ų | 160 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | cis | -164.7 | 157.2 | 3.5 | -109.5 | -51 | 0 | 0 | 0 | 106 | ||||
| 781 | Y | 39.5 | Very low | 40.1 | Very low | 312 Ų | 312 | 162.5 Ų | 162.5 | 100% | 1.224 | 79% | 0.787 | S | S | * | * | trans | 89.5 | 0 | -167.4 | -74.5 | -81.5 | 0 | 0 | 0 | 115.7 |
Retrieved 781 of 781 residues in 1401.7 ms
(Link to these results)