| 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 | 57.2 | Low | 62.4 | Low | 201 Ų | 201 | 120.6 Ų | 120.6 | 99% | 0.99 | 63% | 0.631 | S | S | * | * | 0 | -48 | 0 | -77.4 | -128.6 | -85.9 | 0 | 0 | 113.5 | A3 L4 V5 | M1-A3 PolarHBondContact O-N 2.96Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-V5 WeakPolarHBondContact O-CG2 3.38Å; M1-V5 PolarHBondContact O-N 3.09Å | |||
| 2 | L | 59.7 | Low | 62.2 | Low | 141 Ų | 141 | 119 Ų | 119 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.2 | -33.3 | -179 | -81 | 98.2 | 0 | 0 | 0 | 115.5 | V5 R6 | L2-V5 PolarHBondContact O-N 3.22Å; L2-R6 PolarHBondContact O-N 3.48Å; L2-R6 VanDerWaalsContact O-N 3.09Å |
| 3 | A | 66.1 | Low | 61.6 | Low | 82 Ų | 82 | 116.9 Ų | 116.9 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.6 | -37.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | M1 R6 L7 | M1-A3 PolarHBondContact O-N 2.96Å; A3-R6 PolarHBondContact O-N 3.41Å; A3-L7 WeakPolarHBondContact O-CB 3.31Å; A3-L7 PolarHBondContact O-N 2.9Å |
| 4 | L | 61.3 | Low | 61 | Low | 120 Ų | 120 | 119 Ų | 119 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.3 | -37.8 | 176.2 | -86.2 | 151.9 | 0 | 0 | 0 | 111.8 | M1 L7 C8 | M1-L4 PolarHBondContact O-N 3.22Å; L4-L7 PolarHBondContact O-N 2.9Å; L4-C8 WeakPolarHBondContact O-CB 3.21Å; L4-C8 PolarHBondContact O-N 2.8Å; L4-C8 PolarHBondContact O-SG 3.47Å |
| 5 | V | 67.9 | Low | 60.3 | Low | 84 Ų | 84 | 123.2 Ų | 123.2 | 51% | 0.509 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.3 | -40 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | M1 L2 C8 L9 | M1-V5 WeakPolarHBondContact O-CG2 3.38Å; M1-V5 PolarHBondContact O-N 3.09Å; L2-V5 PolarHBondContact O-N 3.22Å; V5-C8 PolarHBondContact O-N 3.48Å; V5-L9 HydrophobicContact CG1-CD1 4Å; V5-L9 WeakPolarHBondContact O-CB 3.42Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 2.95Å |
| 6 | R | 63.8 | Low | 59.5 | Low | 182 Ų | 182 | 118.4 Ų | 118.4 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.9 | -37.4 | 175.2 | -73.3 | -166.7 | 178.6 | -146.9 | 1.2 | 112.9 | L2 A3 L9 L10 | L2-R6 PolarHBondContact O-N 3.48Å; L2-R6 VanDerWaalsContact O-N 3.09Å; A3-R6 PolarHBondContact O-N 3.41Å; R6-L9 PolarHBondContact O-N 3.44Å; R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 WeakPolarHBondContact O-CG 3.44Å; R6-L10 PolarHBondContact O-N 3.01Å |
| 7 | L | 67.4 | Low | 58.9 | Low | 101 Ų | 101 | 118.6 Ų | 118.6 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.8 | -40 | 175.7 | -159.2 | 77.8 | 0 | 0 | 0 | 111.5 | A3 L4 L10 F11 | A3-L7 WeakPolarHBondContact O-CB 3.31Å; A3-L7 PolarHBondContact O-N 2.9Å; L4-L7 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 3.02Å; L7-F11 HydrophobicContact CG-CD2 4.48Å; L7-F11 PolarHBondContact O-N 2.76Å |
| 8 | C | 62.2 | Low | 58 | Low | 79 Ų | 79 | 117.6 Ų | 117.6 | 53% | 0.534 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -65.4 | -41.6 | 173.4 | -76.6 | 0 | 0 | 0 | 0 | 112.3 | L4 V5 F11 V12 | L4-C8 WeakPolarHBondContact O-CB 3.21Å; L4-C8 PolarHBondContact O-N 2.8Å; L4-C8 PolarHBondContact O-SG 3.47Å; V5-C8 PolarHBondContact O-N 3.48Å; C8-F11 PolarHBondContact O-N 3.39Å; C8-V12 WeakPolarHBondContact O-CB 3.42Å; C8-V12 WeakPolarHBondContact O-CG2 3.26Å; C8-V12 PolarHBondContact O-N 2.82Å |
| 9 | L | 60.5 | Low | 57.2 | Low | 100 Ų | 100 | 116 Ų | 116 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.9 | -39.5 | 175.3 | -76.3 | 165.8 | 0 | 0 | 0 | 111.8 | V5 R6 V12 C13 | V5-L9 HydrophobicContact CG1-CD1 4Å; V5-L9 WeakPolarHBondContact O-CB 3.42Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 2.95Å; R6-L9 PolarHBondContact O-N 3.44Å; L9-V12 PolarHBondContact O-N 3.29Å; L9-C13 WeakPolarHBondContact O-CB 3.31Å; L9-C13 PolarHBondContact O-N 3.34Å; L9-C13 PolarHBondContact O-SG 3.23Å |
| 10 | L | 61 | Low | 56.6 | Low | 106 Ų | 106 | 119.5 Ų | 119.5 | 56% | 0.555 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.5 | -41.6 | 173.7 | -78.8 | 163.6 | 0 | 0 | 0 | 111.9 | R6 L7 C13 L14 | R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 WeakPolarHBondContact O-CG 3.44Å; R6-L10 PolarHBondContact O-N 3.01Å; L7-L10 PolarHBondContact O-N 3.02Å; L10-C13 PolarHBondContact O-N 2.89Å; L10-L14 WeakPolarHBondContact O-CB 3.13Å; L10-L14 WeakPolarHBondContact O-CD1 3.3Å; L10-L14 PolarHBondContact O-N 2.85Å |
| 11 | F | 59.8 | Low | 56.7 | Low | 131 Ų | 131 | 118.5 Ų | 118.5 | 58% | 0.575 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67 | -34.6 | 174.9 | -102.8 | -84.9 | 0 | 0 | 0 | 113 | L7 C8 K15 | L7-F11 HydrophobicContact CG-CD2 4.48Å; L7-F11 PolarHBondContact O-N 2.76Å; C8-F11 PolarHBondContact O-N 3.39Å; F11-K15 WeakPolarHBondContact O-CB 3.5Å; F11-K15 WeakPolarHBondContact O-CG 3.26Å; F11-K15 PolarHBondContact O-N 3.45Å |
| 12 | V | 59.1 | Low | 57.4 | Low | 101 Ų | 101 | 111.8 Ų | 111.8 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.1 | -35.4 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | C8 L9 K15 G16 | C8-V12 WeakPolarHBondContact O-CB 3.42Å; C8-V12 WeakPolarHBondContact O-CG2 3.26Å; C8-V12 PolarHBondContact O-N 2.82Å; L9-V12 PolarHBondContact O-N 3.29Å; V12-K15 PolarHBondContact O-N 3.41Å; V12-G16 PolarHBondContact O-N 3.45Å |
| 13 | C | 55.5 | Low | 58.7 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.7 | -35.6 | 173.3 | -70.9 | 0 | 0 | 0 | 0 | 113 | L9 L10 K15 G16 | L9-C13 WeakPolarHBondContact O-CB 3.31Å; L9-C13 PolarHBondContact O-N 3.34Å; L9-C13 PolarHBondContact O-SG 3.23Å; L10-C13 PolarHBondContact O-N 2.89Å; C13-K15 PolarHBondContact O-N 2.91Å; C13-G16 PolarHBondContact O-N 3.29Å |
| 14 | L | 52.9 | Low | 59.9 | Low | 146 Ų | 146 | 105.3 Ų | 105.3 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.8 | -19 | 174.4 | -88 | 148 | 0 | 0 | 0 | 113 | L10 | L10-L14 WeakPolarHBondContact O-CB 3.13Å; L10-L14 WeakPolarHBondContact O-CD1 3.3Å; L10-L14 PolarHBondContact O-N 2.85Å |
| 15 | K | 49.7 | Very low | 61.4 | Low | 182 Ų | 182 | 102.4 Ų | 102.4 | 79% | 0.791 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -6.2 | 173.7 | -69.7 | -98.7 | -178.7 | 174 | 0 | 113 | F11 V12 C13 | F11-K15 WeakPolarHBondContact O-CB 3.5Å; F11-K15 WeakPolarHBondContact O-CG 3.26Å; F11-K15 PolarHBondContact O-N 3.45Å; V12-K15 PolarHBondContact O-N 3.41Å; C13-K15 PolarHBondContact O-N 2.91Å |
| 16 | G | 48.7 | Very low | 62.7 | Low | 46 Ų | 46 | 98.4 Ų | 98.4 | 47% | 0.474 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -104.2 | 120.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V12 C13 | V12-G16 PolarHBondContact O-N 3.45Å; C13-G16 PolarHBondContact O-N 3.29Å |
| 17 | S | 48.4 | Very low | 64.2 | Low | 122 Ų | 122 | 93 Ų | 93 | 85% | 0.853 | 57% | 0.567 | S | S | * | * | trans | 74.9 | 55.7 | 171.9 | -66.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 18 | A | 42.2 | Very low | 65.6 | Low | 101 Ų | 101 | 93.8 Ų | 93.8 | 84% | 0.835 | 57% | 0.572 | S | S | * | * | -94.5 | 85 | 123.6 | 0 | 0 | 0 | 0 | 0 | 106 | E20 | A18-E20 PolarHBondContact O-N 2.86Š| |||
| 19 | A | 44 | Very low | 67.2 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 72% | 0.719 | 55% | 0.552 | S | S | * | * | trans | -63 | 101.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 104.1 | A21 | A19-A21 PolarHBondContact O-N 3.48Š| ||
| 20 | E | 44.6 | Very low | 69 | Low | 185 Ų | 185 | 92.1 Ų | 92.1 | 86% | 0.864 | 55% | 0.552 | S | S | * | * | trans | -45.4 | 112.6 | 163.5 | -169.6 | 171 | -160 | 0 | 0 | 105.2 | A18 G22 | A18-E20 PolarHBondContact O-N 2.86Å; E20-G22 PolarHBondContact O-N 2.81Å | ||
| 21 | A | 58.2 | Low | 70.8 | Confident | 100 Ų | 100 | 87.8 Ų | 87.8 | 83% | 0.826 | 53% | 0.529 | S | S | * | . | trans | -65 | 90.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | A19 L23 | A19-A21 PolarHBondContact O-N 3.48Å; A21-L23 PolarHBondContact O-N 2.79Å | ||
| 22 | G | 71.8 | Confident | 72.5 | Confident | 60 Ų | 60 | 85.9 Ų | 85.9 | 62% | 0.619 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -59 | 137.5 | -176 | 0 | 0 | 0 | 0 | 0 | 109 | E20 T24 | E20-G22 PolarHBondContact O-N 2.81Å; G22-T24 PolarHBondContact O-N 3.34Å |
| 23 | L | 87.3 | Confident | 74.4 | Confident | 29 Ų | 29 | 82.4 Ų | 82.4 | 15% | 0.152 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 128.3 | 177.2 | -174.3 | 64.7 | 0 | 0 | 0 | 109.7 | A21 W44 T104 L106 S111 | A21-L23 PolarHBondContact O-N 2.79Å; L23-W44 HydrophobicContact CD1-CZ2 4.15Å; L23-T104 HydrophobicContact CD2-CG2 3.87Å; L23-T104 WeakPolarHBondContact CD2-O 3.2Å; L23-T104 HydrophobicContact CG-CG2 4.27Å; L23-L106 HydrophobicContact CD1-CB 3.88Å; L23-L106 HydrophobicContact CD1-CD2 3.73Å; L23-L106 HydrophobicContact CD1-CG 4.47Å; L23-L106 HydrophobicContact CD2-CB 3.71Å; L23-L106 HydrophobicContact CG-CB 4.48Å; L23-S111 WeakPolarHBondContact O-CB 3.45Å |
| 24 | T | 91.4 | Very high | 76.3 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 129.8 | -176.3 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | G22 W44 A48 T104 | G22-T24 PolarHBondContact O-N 3.34Å; T24-W44 PolarHBondContact O-NE1 3.18Å; T24-W44 PolarHBondContact OG1-NE1 3.07Å; T24-W44 VanDerWaalsContact OG1-NE1 3.1Å; T24-A48 HydrophobicContact CG2-CB 4.19Å; T24-A48 VanDerWaalsContact OG1-CB 3.31Å; T24-A48 WeakPolarHBondContact OG1-CB 3.35Å; T24-T104 PolarHBondContact O-OG1 3.22Å |
| 25 | P | 93.6 | Very high | 78.4 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 38% | 0.377 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 155.5 | 175.6 | 31.6 | -35.1 | 0 | 0 | 0 | 110.8 | V112 | P25-V112 WeakPolarHBondContact CB-O 3.16Š|
| 26 | P | 95.5 | Very high | 80.6 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 149.1 | 169.4 | -23.9 | 36.2 | 0 | 0 | 0 | 111.9 | L29 W42 F56 V102 T104 K114 | P26-L29 HydrophobicContact CB-CD1 4.28Å; P26-W42 HydrophobicContact CB-CB 4.1Å; P26-W42 HydrophobicContact CB-CG 3.99Å; P26-F56 HydrophobicContact CG-CD1 3.97Å; P26-F56 HydrophobicContact CG-CE1 4.1Å; P26-V102 HydrophobicContact CB-CG1 3.76Å; P26-V102 HydrophobicContact CG-CG1 3.87Å; P26-V102 HydrophobicContact CG-CG2 4.07Å; P26-T104 WeakPolarHBondContact CD-OG1 3.41Å; P26-T104 WeakPolarHBondContact CG-OG1 3.49Å; P26-K114 WeakPolarHBondContact O-CB 3.42Å; P26-K114 VanDerWaalsContact O-CG 3.28Å; P26-K114 WeakPolarHBondContact O-CG 3.43Å |
| 27 | H | 94.4 | Very high | 82.9 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 173.9 | 176.3 | 56.7 | 87 | 0 | 0 | 0 | 111.2 | L29 D43 | H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 3.49Å; H27-D43 IonicContact CE1-OD2 3.48Å; H27-D43 PolarHBondContact CE1-OD2 3.4Å; H27-D43 PolarHBondContact N-O 2.92Å; H27-D43 PolarHBondContact O-N 3.36Å |
| 28 | D | 96.1 | Very high | 85.2 | Confident | 118 Ų | 118 | 63.4 Ų | 63.4 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 46.2 | 178.7 | -53 | -38.7 | 0 | 0 | 0 | 113.8 | F30 | D28-F30 PolarHBondContact O-N 2.85Å |
| 29 | L | 97.8 | Very high | 87.9 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 128.8 | 175.1 | -83.1 | 58.4 | 0 | 0 | 0 | 109.4 | P26 H27 L40 T41 W42 V102 K114 I116 | P26-L29 HydrophobicContact CB-CD1 4.28Å; H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 3.49Å; L29-L40 HydrophobicContact CB-CD1 4.39Å; L29-L40 HydrophobicContact CG-CD1 4.43Å; L29-T41 CarbonylContact C-O 3.57Å; L29-T41 WeakPolarHBondContact CA-O 3.47Å; L29-W42 HydrophobicContact CD1-CB 3.97Å; L29-W42 HydrophobicContact CG-CB 4.33Å; L29-V102 HydrophobicContact CD1-CG1 3.92Å; L29-V102 HydrophobicContact CD2-CG1 3.89Å; L29-V102 HydrophobicContact CG-CG1 3.95Å; L29-K114 HydrophobicContact CD1-CB 4.04Å; L29-K114 HydrophobicContact CD1-CG 3.45Å; L29-K114 VanDerWaalsContact CD1-CG 3.45Å; L29-K114 HydrophobicContact CD2-CB 4.22Å; L29-K114 HydrophobicContact CD2-CG 3.82Å; L29-K114 HydrophobicContact CG-CG 4.26Å; L29-I116 HydrophobicContact CB-CB 4.35Å; L29-I116 HydrophobicContact CB-CD1 4.47Å; L29-I116 HydrophobicContact CB-CG2 4.45Å; L29-I116 HydrophobicContact CD2-CB 4.25Å; L29-I116 HydrophobicContact CD2-CG2 4.19Å |
| 30 | F | 97.4 | Very high | 90.5 | Very high | 120 Ų | 120 | 56.3 Ų | 56.3 | 53% | 0.526 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.5 | 178.3 | -177.2 | -107.5 | 0 | 0 | 0 | 110.9 | D28 L32 T41 | D28-F30 PolarHBondContact O-N 2.85Å; F30-L32 HydrophobicContact CD1-CD2 3.96Å; F30-L32 HydrophobicContact CD1-CG 3.92Å; F30-L32 HydrophobicContact CE1-CD2 3.53Å; F30-L32 HydrophobicContact CE1-CG 3.94Å; F30-T41 PolarHBondContact N-O 3.27Å; F30-T41 PolarHBondContact O-N 3.42Å; F30-T41 PolarHBondContact O-OG1 2.93Å |
| 31 | M | 97.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 103.7 | 174.7 | -71 | -63.4 | -58.5 | 0 | 0 | 109.2 | T33 L40 L87 F118 | M31-T33 HydrophobicContact CB-CG2 4.06Å; M31-T33 PolarHBondContact O-N 2.95Å; M31-L40 HydrophobicContact CG-CD1 4.31Å; M31-L40 HydrophobicContact SD-CB 3.78Å; M31-L40 HydrophobicContact SD-CD1 3.5Å; M31-L40 WeakPolarHBondContact SD-CD1 3.34Å; M31-L40 HydrophobicContact SD-CG 4.25Å; M31-L87 HydrophobicContact CE-CD1 4.44Å; M31-F118 HydrophobicContact CB-CD2 4.24Å; M31-F118 HydrophobicContact CB-CE2 4.38Å; M31-F118 HydrophobicContact CE-CD1 3.95Å; M31-F118 HydrophobicContact CE-CD2 4.35Å; M31-F118 HydrophobicContact CE-CE1 3.91Å; M31-F118 HydrophobicContact CE-CE2 4.34Å; M31-F118 HydrophobicContact CE-CG 4.18Å; M31-F118 HydrophobicContact CE-CZ 4.12Å; M31-F118 HydrophobicContact CG-CB 4.43Å; M31-F118 HydrophobicContact CG-CD2 3.99Å; M31-F118 HydrophobicContact CG-CG 4.19Å |
| 32 | L | 97.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.6 | 166.4 | -72.6 | 168.4 | 0 | 0 | 0 | 108.5 | F30 T39 T41 | F30-L32 HydrophobicContact CD1-CD2 3.96Å; F30-L32 HydrophobicContact CD1-CG 3.92Å; F30-L32 HydrophobicContact CE1-CD2 3.53Å; F30-L32 HydrophobicContact CE1-CG 3.94Å; L32-T39 PolarHBondContact N-O 3.49Å; L32-T39 PolarHBondContact O-N 3.05Å; L32-T41 HydrophobicContact CD1-CG2 3.47Å; L32-T41 VanDerWaalsContact CD1-CG2 3.47Å; L32-T41 HydrophobicContact CG-CG2 4.18Å |
| 33 | T | 97.3 | Very high | 96 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.8 | -173.5 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | M31 N37 Y38 F118 A124 A125 | M31-T33 HydrophobicContact CB-CG2 4.06Å; M31-T33 PolarHBondContact O-N 2.95Å; T33-N37 VanDerWaalsContact CA-O 3.3Å; T33-N37 WeakPolarHBondContact CA-O 3.1Å; T33-Y38 HydrophobicContact CG2-CD1 3.92Å; T33-F118 HydrophobicContact CG2-CE2 3.77Å; T33-F118 HydrophobicContact CG2-CZ 3.87Å; T33-A124 VanDerWaalsContact OG1-CA 3.31Å; T33-A124 WeakPolarHBondContact OG1-CA 3.2Å; T33-A125 PolarHBondContact OG1-N 2.84Å |
| 34 | L | 96.8 | Very high | 96.3 | Very high | 85 Ų | 85 | 44.5 Ų | 44.5 | 45% | 0.445 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 120.1 | 168.4 | -176.2 | 66.8 | 0 | 0 | 0 | 108.6 | T36 N37 | L34-T36 PolarHBondContact O-N 3.35Å; L34-N37 PolarHBondContact N-O 2.89Å; L34-N37 VanDerWaalsContact N-O 3.1Å; L34-N37 WeakPolarHBondContact O-CB 3.23Å; L34-N37 PolarHBondContact O-N 2.89Å |
| 35 | N | 96.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 46 Ų | 46 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | -105.4 | -171.1 | -63.9 | -23.8 | 0 | 0 | 0 | 110.5 | A125 G127 Q149 M156 | N35-A125 PolarHBondContact N-O 2.79Å; N35-G127 PolarHBondContact OD1-N 2.77Å; N35-Q149 PolarHBondContact ND2-O 3.04Å; N35-M156 HydrophobicContact CB-CE 4.21Å; N35-M156 HydrophobicContact CB-CG 4.03Å; N35-M156 HydrophobicContact CB-SD 3.66Å |
| 36 | T | 96 | Very high | 95.6 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 11.4 | 176.7 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | L34 Y38 Y94 N150 S151 M156 | L34-T36 PolarHBondContact O-N 3.35Å; T36-Y38 VanDerWaalsContact CA-CE1 3.48Å; T36-Y38 VanDerWaalsContact CA-CZ 3.49Å; T36-Y38 WeakPolarHBondContact CA-OH 3.49Å; T36-Y38 WeakPolarHBondContact CG2-OH 3.5Å; T36-Y38 WeakPolarHBondContact O-CE2 3.28Å; T36-Y94 HydrophobicContact CG2-CD2 4.2Å; T36-N150 HydrophobicContact CG2-CB 3.95Å; T36-N150 WeakPolarHBondContact OG1-CA 3.34Å; T36-N150 VanDerWaalsContact OG1-CB 3.25Å; T36-N150 WeakPolarHBondContact OG1-CB 3.45Å; T36-S151 PolarHBondContact OG1-N 2.79Å; T36-S151 PolarHBondContact OG1-OG 2.54Å; T36-M156 HydrophobicContact CG2-CE 4.37Å; T36-M156 HydrophobicContact CG2-SD 4.05Å |
| 37 | N | 97 | Very high | 94.8 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 40% | 0.401 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.6 | 168.7 | -65.5 | -36.5 | 0 | 0 | 0 | 108.3 | T33 L34 T88 S151 | T33-N37 VanDerWaalsContact CA-O 3.3Å; T33-N37 WeakPolarHBondContact CA-O 3.1Å; L34-N37 PolarHBondContact N-O 2.89Å; L34-N37 VanDerWaalsContact N-O 3.1Å; L34-N37 WeakPolarHBondContact O-CB 3.23Å; L34-N37 PolarHBondContact O-N 2.89Å; N37-T88 WeakPolarHBondContact CA-OG1 3.26Å; N37-T88 VanDerWaalsContact OD1-CG2 3.29Å; N37-T88 WeakPolarHBondContact OD1-CG2 3.4Å; N37-S151 WeakPolarHBondContact OD1-CB 3.3Å |
| 38 | Y | 97.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 50 Ų | 50 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.7 | -175.2 | -46.9 | -45.5 | 0 | 0 | 0 | 109.4 | T33 T36 D86 L87 T88 L92 F118 P120 A124 | T33-Y38 HydrophobicContact CG2-CD1 3.92Å; T36-Y38 VanDerWaalsContact CA-CE1 3.48Å; T36-Y38 VanDerWaalsContact CA-CZ 3.49Å; T36-Y38 WeakPolarHBondContact CA-OH 3.49Å; T36-Y38 WeakPolarHBondContact CG2-OH 3.5Å; T36-Y38 WeakPolarHBondContact O-CE2 3.28Å; Y38-D86 VanDerWaalsContact O-OD1 3.1Å; Y38-L87 PolarHBondContact O-N 3.42Å; Y38-T88 PolarHBondContact N-OG1 3.36Å; Y38-T88 PolarHBondContact O-N 3.17Å; Y38-L92 HydrophobicContact CD2-CD1 4.01Å; Y38-L92 HydrophobicContact CE2-CB 4.23Å; Y38-L92 HydrophobicContact CE2-CD1 4.34Å; Y38-F118 HydrophobicContact CD1-CE1 4.03Å; Y38-F118 AromaticContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD2-CE1 4.09Å; Y38-F118 HydrophobicContact CD2-CZ 4.48Å; Y38-F118 HydrophobicContact CE1-CE1 4.33Å; Y38-F118 AromaticContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE2-CE1 4.39Å; Y38-F118 AromaticContact CG-CE1 3.9Å; Y38-F118 HydrophobicContact CG-CE1 3.9Å; Y38-F118 AromaticContact CG-CZ 3.94Å; Y38-F118 HydrophobicContact CG-CZ 3.94Å; Y38-P120 HydrophobicContact CE1-CB 4.1Å; Y38-P120 HydrophobicContact CE2-CG 4.33Å; Y38-P120 WeakPolarHBondContact OH-CB 3.41Å; Y38-A124 HydrophobicContact CE1-CB 4.09Å |
| 39 | T | 98.1 | Very high | 92.6 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 118.1 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 109 | L32 T41 C85 | L32-T39 PolarHBondContact N-O 3.49Å; L32-T39 PolarHBondContact O-N 3.05Å; T39-T41 HydrophobicContact CG2-CG2 4.27Å; T39-C85 CarbonylContact C-O 3.53Å; T39-C85 WeakPolarHBondContact CA-O 3.29Å |
| 40 | L | 98.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 133 | 169.3 | -177.8 | 73.6 | 0 | 0 | 0 | 108.1 | L29 M31 W42 V58 S84 C85 L87 V100 V102 I116 | L29-L40 HydrophobicContact CB-CD1 4.39Å; L29-L40 HydrophobicContact CG-CD1 4.43Å; M31-L40 HydrophobicContact CG-CD1 4.31Å; M31-L40 HydrophobicContact SD-CB 3.78Å; M31-L40 HydrophobicContact SD-CD1 3.5Å; M31-L40 WeakPolarHBondContact SD-CD1 3.34Å; M31-L40 HydrophobicContact SD-CG 4.25Å; L40-W42 HydrophobicContact CB-CZ3 4.32Å; L40-W42 HydrophobicContact CD2-CE3 3.88Å; L40-W42 HydrophobicContact CD2-CZ3 3.88Å; L40-W42 HydrophobicContact CG-CE3 3.87Å; L40-W42 HydrophobicContact CG-CZ3 4.04Å; L40-V58 HydrophobicContact CD2-CG1 3.8Å; L40-V58 HydrophobicContact CD2-CG2 4.16Å; L40-S84 CarbonylContact O-C 3.53Å; L40-S84 WeakPolarHBondContact O-CA 3.11Å; L40-C85 PolarHBondContact N-O 3.4Å; L40-C85 PolarHBondContact O-N 3.21Å; L40-L87 HydrophobicContact CB-CD1 3.63Å; L40-V100 HydrophobicContact CD1-CG1 4.46Å; L40-V100 HydrophobicContact CD2-CG1 3.8Å; L40-V102 HydrophobicContact CD2-CB 4.25Å; L40-V102 HydrophobicContact CD2-CG1 4.48Å; L40-I116 HydrophobicContact CD1-CG2 3.95Å |
| 41 | T | 98.3 | Very high | 90.4 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152.4 | 172 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | L29 F30 L32 T39 R83 | L29-T41 CarbonylContact C-O 3.57Å; L29-T41 WeakPolarHBondContact CA-O 3.47Å; F30-T41 PolarHBondContact N-O 3.27Å; F30-T41 PolarHBondContact O-N 3.42Å; F30-T41 PolarHBondContact O-OG1 2.93Å; L32-T41 HydrophobicContact CD1-CG2 3.47Å; L32-T41 VanDerWaalsContact CD1-CG2 3.47Å; L32-T41 HydrophobicContact CG-CG2 4.18Å; T39-T41 HydrophobicContact CG2-CG2 4.27Å; T41-R83 WeakPolarHBondContact CA-O 3.48Å |
| 42 | W | 97.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.045 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 162 | 178.3 | 56.3 | 90.2 | 0 | 0 | 0 | 109.7 | P26 L29 L40 F56 V58 T80 G82 R83 C85 V102 | P26-W42 HydrophobicContact CB-CB 4.1Å; P26-W42 HydrophobicContact CB-CG 3.99Å; L29-W42 HydrophobicContact CD1-CB 3.97Å; L29-W42 HydrophobicContact CG-CB 4.33Å; L40-W42 HydrophobicContact CB-CZ3 4.32Å; L40-W42 HydrophobicContact CD2-CE3 3.88Å; L40-W42 HydrophobicContact CD2-CZ3 3.88Å; L40-W42 HydrophobicContact CG-CE3 3.87Å; L40-W42 HydrophobicContact CG-CZ3 4.04Å; W42-F56 AromaticContact CE2-CG 3.81Å; W42-F56 HydrophobicContact CH2-CB 4.37Å; W42-F56 HydrophobicContact CZ2-CB 3.49Å; W42-F56 VanDerWaalsContact CZ2-CB 3.49Å; W42-F56 HydrophobicContact CZ2-CD1 4.3Å; W42-F56 AromaticContact CZ2-CD2 3.88Å; W42-F56 HydrophobicContact CZ2-CD2 3.88Å; W42-F56 AromaticContact CZ2-CG 3.63Å; W42-F56 HydrophobicContact CZ2-CG 3.63Å; W42-F56 AromaticContact NE1-CD1 3.35Å; W42-F56 AromaticContact NE1-CD2 3.74Å; W42-F56 AromaticContact NE1-CE1 3.5Å; W42-F56 AromaticContact NE1-CE2 3.89Å; W42-F56 AromaticContact NE1-CG 3.48Å; W42-F56 AromaticContact NE1-CZ 3.77Å; W42-V58 HydrophobicContact CH2-CG2 3.66Å; W42-V58 HydrophobicContact CZ3-CG2 3.78Å; W42-T80 HydrophobicContact CH2-CG2 4.16Å; W42-T80 HydrophobicContact CZ2-CG2 4.22Å; W42-G82 VanDerWaalsContact CZ2-O 3.25Å; W42-G82 WeakPolarHBondContact CZ2-O 3.34Å; W42-R83 PolarHBondContact N-O 2.86Å; W42-R83 WeakPolarHBondContact O-CB 3.45Å; W42-C85 HydrophobicContact CH2-CB 3.93Å; W42-C85 HydrophobicContact CZ3-CB 3.91Å; W42-V102 HydrophobicContact CD2-CG1 4.42Å; W42-V102 HydrophobicContact CD2-CG2 4.07Å; W42-V102 HydrophobicContact CE3-CG2 4.27Å; W42-V102 HydrophobicContact CG-CG1 4.46Å; W42-V102 HydrophobicContact CH2-CG2 4.27Å; W42-V102 HydrophobicContact CZ2-CG2 4.06Å; W42-V102 HydrophobicContact CZ3-CG2 4.37Å |
| 43 | D | 95.3 | Very high | 89 | Confident | 80 Ų | 80 | 49.8 Ų | 49.8 | 43% | 0.428 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 154 | 167.1 | -163.7 | 14.6 | 0 | 0 | 0 | 110.7 | H27 | H27-D43 IonicContact CE1-OD2 3.48Å; H27-D43 PolarHBondContact CE1-OD2 3.4Å; H27-D43 PolarHBondContact N-O 2.92Å; H27-D43 PolarHBondContact O-N 3.36Å |
| 44 | W | 93.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | trans | -159.5 | 124.6 | 179 | -170.6 | 75.8 | 0 | 0 | 0 | 111.2 | L23 T24 Q46 A48 A49 A54 F56 R83 T104 | L23-W44 HydrophobicContact CD1-CZ2 4.15Å; T24-W44 PolarHBondContact O-NE1 3.18Å; T24-W44 PolarHBondContact OG1-NE1 3.07Å; T24-W44 VanDerWaalsContact OG1-NE1 3.1Å; W44-Q46 PolarHBondContact O-N 3.24Å; W44-A48 HydrophobicContact CH2-CB 4Å; W44-A48 HydrophobicContact CZ2-CB 3.74Å; W44-A49 HydrophobicContact CH2-CB 3.47Å; W44-A49 VanDerWaalsContact CH2-CB 3.47Å; W44-A49 HydrophobicContact CZ3-CB 3.81Å; W44-A54 HydrophobicContact CE3-CB 4.17Å; W44-A54 HydrophobicContact CH2-CB 3.67Å; W44-A54 HydrophobicContact CZ2-CB 4.37Å; W44-A54 HydrophobicContact CZ3-CB 3.52Å; W44-F56 HydrophobicContact CB-CE1 3.9Å; W44-F56 HydrophobicContact CB-CZ 3.85Å; W44-F56 HydrophobicContact CD2-CE1 4.04Å; W44-F56 AromaticContact CD2-CZ 3.92Å; W44-F56 HydrophobicContact CD2-CZ 3.92Å; W44-F56 AromaticContact CE3-CZ 3.95Å; W44-F56 HydrophobicContact CE3-CZ 3.95Å; W44-F56 AromaticContact CG-CE1 3.73Å; W44-F56 HydrophobicContact CG-CE1 3.73Å; W44-F56 AromaticContact CG-CZ 3.87Å; W44-F56 HydrophobicContact CG-CZ 3.87Å; W44-R83 PolarHBondContact O-NE 3.06Å; W44-R83 PolarHBondContact O-NH2 3.3Å; W44-T104 HydrophobicContact CD2-CG2 4.31Å; W44-T104 HydrophobicContact CH2-CG2 4.39Å; W44-T104 HydrophobicContact CZ2-CG2 3.79Å; W44-T104 PolarHBondContact NE1-OG1 2.79Å | ||
| 45 | D | 88.2 | Confident | 88.7 | Confident | 89 Ų | 89 | 46.1 Ų | 46.1 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | trans | -67.4 | 108.8 | 179.6 | -175.9 | -1.3 | 0 | 0 | 0 | 112 | S47 A48 | D45-S47 PolarHBondContact O-N 2.98Å; D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.45Å; D45-S47 PolarHBondContact OD1-OG 2.94Å; D45-S47 PolarHBondContact OD2-OG 3.28Å; D45-A48 WeakPolarHBondContact O-CB 3.37Å; D45-A48 PolarHBondContact O-N 3.29Å | ||
| 46 | Q | 81.5 | Confident | 88.7 | Confident | 80 Ų | 80 | 45.5 Ų | 45.5 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -63.5 | -25.4 | 179.8 | -168.4 | 64.6 | 40.9 | 0 | 0 | 113 | W44 A48 A49 R83 | W44-Q46 PolarHBondContact O-N 3.24Å; Q46-A48 PolarHBondContact O-N 3.42Å; Q46-A48 VanDerWaalsContact O-N 3.1Å; Q46-A49 PolarHBondContact O-N 3.36Å; Q46-R83 VanDerWaalsContact OE1-NH2 3.08Å |
| 47 | S | 78.2 | Confident | 88.8 | Confident | 89 Ų | 89 | 46 Ų | 46 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -60 | -24.8 | 179.3 | 75.5 | 0 | 0 | 0 | 0 | 111.8 | D45 A49 G50 | D45-S47 PolarHBondContact O-N 2.98Å; D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.45Å; D45-S47 PolarHBondContact OD1-OG 2.94Å; D45-S47 PolarHBondContact OD2-OG 3.28Å; S47-A49 VanDerWaalsContact C-N 3.27Å; S47-A49 PolarHBondContact O-N 2.95Å; S47-G50 PolarHBondContact O-N 2.96Å |
| 48 | A | 71.6 | Confident | 88.8 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -69.8 | -17.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | T24 W44 D45 Q46 | T24-A48 HydrophobicContact CG2-CB 4.19Å; T24-A48 VanDerWaalsContact OG1-CB 3.31Å; T24-A48 WeakPolarHBondContact OG1-CB 3.35Å; W44-A48 HydrophobicContact CH2-CB 4Å; W44-A48 HydrophobicContact CZ2-CB 3.74Å; D45-A48 WeakPolarHBondContact O-CB 3.37Å; D45-A48 PolarHBondContact O-N 3.29Å; Q46-A48 PolarHBondContact O-N 3.42Å; Q46-A48 VanDerWaalsContact O-N 3.1Å |
| 49 | A | 72.4 | Confident | 88.8 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -95.1 | -8.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W44 Q46 S47 S51 D52 A54 L106 | W44-A49 HydrophobicContact CH2-CB 3.47Å; W44-A49 VanDerWaalsContact CH2-CB 3.47Å; W44-A49 HydrophobicContact CZ3-CB 3.81Å; Q46-A49 PolarHBondContact O-N 3.36Å; S47-A49 VanDerWaalsContact C-N 3.27Å; S47-A49 PolarHBondContact O-N 2.95Å; A49-S51 PolarHBondContact O-N 3.43Å; A49-D52 WeakPolarHBondContact CB-O 3.38Å; A49-D52 PolarHBondContact O-N 3.29Å; A49-A54 HydrophobicContact CB-CB 4.27Å; A49-L106 HydrophobicContact CB-CD1 4.08Å; A49-L106 HydrophobicContact CB-CD2 4.3Å |
| 50 | G | 76.9 | Confident | 88.8 | Confident | 59 Ų | 59 | 43.1 Ų | 43.1 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -119.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S47 | S47-G50 PolarHBondContact O-N 2.96Š|
| 51 | S | 73.5 | Confident | 88.7 | Confident | 130 Ų | 130 | 43.2 Ų | 43.2 | 91% | 0.909 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.5 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 114.2 | A49 | A49-S51 PolarHBondContact O-N 3.43Š|
| 52 | D | 80 | Confident | 88.6 | Confident | 77 Ų | 77 | 42 Ų | 42 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -87.8 | 158.3 | -176 | -67.3 | -34.4 | 0 | 0 | 0 | 111.5 | A49 L106 N107 | A49-D52 WeakPolarHBondContact CB-O 3.38Å; A49-D52 PolarHBondContact O-N 3.29Å; D52-L106 HydrophobicContact CB-CD1 3.82Å; D52-N107 PolarHBondContact OD2-ND2 3.04Å |
| 53 | S | 84.7 | Confident | 88.3 | Confident | 91 Ų | 91 | 43.8 Ų | 43.8 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | trans | -93.2 | 112 | 174.7 | -173.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 54 | A | 91.6 | Very high | 88 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | trans | -67.7 | 146.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W44 A49 T104 L106 | W44-A54 HydrophobicContact CE3-CB 4.17Å; W44-A54 HydrophobicContact CH2-CB 3.67Å; W44-A54 HydrophobicContact CZ2-CB 4.37Å; W44-A54 HydrophobicContact CZ3-CB 3.52Å; A49-A54 HydrophobicContact CB-CB 4.27Å; A54-T104 HydrophobicContact CB-CG2 3.79Å; A54-L106 HydrophobicContact CB-CD1 4.2Å | ||
| 55 | T | 94.9 | Very high | 87.8 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 167.7 | 168.1 | 68.8 | 0 | 0 | 0 | 0 | 110.1 | E79 T80 T104 N105 | T55-E79 HydrophobicContact CG2-CB 4.48Å; T55-T80 CarbonylContact C-O 3.53Å; T55-T80 VanDerWaalsContact CA-O 3.29Å; T55-T80 WeakPolarHBondContact CA-O 3.5Å; T55-T104 CarbonylContact O-C 3.48Å; T55-N105 PolarHBondContact N-O 2.83Å; T55-N105 PolarHBondContact O-N 3.01Å; T55-N105 PolarHBondContact OG1-ND2 3.5Å |
| 56 | F | 96.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.5 | -175.7 | -55.3 | -84.4 | 0 | 0 | 0 | 110.9 | P26 W42 W44 E79 T80 G82 R83 V102 Q103 T104 | P26-F56 HydrophobicContact CG-CD1 3.97Å; P26-F56 HydrophobicContact CG-CE1 4.1Å; W42-F56 AromaticContact CE2-CG 3.81Å; W42-F56 HydrophobicContact CH2-CB 4.37Å; W42-F56 HydrophobicContact CZ2-CB 3.49Å; W42-F56 VanDerWaalsContact CZ2-CB 3.49Å; W42-F56 HydrophobicContact CZ2-CD1 4.3Å; W42-F56 AromaticContact CZ2-CD2 3.88Å; W42-F56 HydrophobicContact CZ2-CD2 3.88Å; W42-F56 AromaticContact CZ2-CG 3.63Å; W42-F56 HydrophobicContact CZ2-CG 3.63Å; W42-F56 AromaticContact NE1-CD1 3.35Å; W42-F56 AromaticContact NE1-CD2 3.74Å; W42-F56 AromaticContact NE1-CE1 3.5Å; W42-F56 AromaticContact NE1-CE2 3.89Å; W42-F56 AromaticContact NE1-CG 3.48Å; W42-F56 AromaticContact NE1-CZ 3.77Å; W44-F56 HydrophobicContact CB-CE1 3.9Å; W44-F56 HydrophobicContact CB-CZ 3.85Å; W44-F56 HydrophobicContact CD2-CE1 4.04Å; W44-F56 AromaticContact CD2-CZ 3.92Å; W44-F56 HydrophobicContact CD2-CZ 3.92Å; W44-F56 AromaticContact CE3-CZ 3.95Å; W44-F56 HydrophobicContact CE3-CZ 3.95Å; W44-F56 AromaticContact CG-CE1 3.73Å; W44-F56 HydrophobicContact CG-CE1 3.73Å; W44-F56 AromaticContact CG-CZ 3.87Å; W44-F56 HydrophobicContact CG-CZ 3.87Å; F56-E79 CarbonylContact O-C 3.51Å; F56-E79 VanDerWaalsContact O-CA 3.31Å; F56-E79 WeakPolarHBondContact O-CA 3.37Å; F56-E79 PolarHBondContact O-N 2.96Å; F56-T80 HydrophobicContact CB-CG2 4.03Å; F56-T80 WeakPolarHBondContact CD2-O 3.46Å; F56-T80 PolarHBondContact N-O 2.95Å; F56-T80 PolarHBondContact O-N 2.83Å; F56-G82 WeakPolarHBondContact CD2-O 3.42Å; F56-R83 HydrophobicContact CE2-CG 4.36Å; F56-V102 HydrophobicContact CB-CG2 4.08Å; F56-V102 HydrophobicContact CD1-CG2 4.48Å; F56-Q103 WeakPolarHBondContact CA-O 3.36Å; F56-T104 HydrophobicContact CD1-CG2 4.18Å; F56-T104 HydrophobicContact CE1-CG2 3.79Å; F56-T104 WeakPolarHBondContact CE1-OG1 3.42Å; F56-T104 HydrophobicContact CZ-CG2 4.43Å |
| 57 | T | 97.8 | Very high | 88.2 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 10% | 0.104 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.3 | 173.8 | -62.7 | 0 | 0 | 0 | 0 | 109 | Q59 T75 C77 V102 Q103 N105 W113 | T57-Q59 HydrophobicContact CG2-CG 4.48Å; T57-T75 HydrophobicContact CG2-CG2 4.12Å; T57-C77 WeakPolarHBondContact CA-O 3.01Å; T57-V102 WeakPolarHBondContact O-CA 3.19Å; T57-Q103 PolarHBondContact N-O 3.23Å; T57-Q103 PolarHBondContact O-N 3.2Å; T57-Q103 VanDerWaalsContact O-N 3.11Å; T57-N105 PolarHBondContact OG1-ND2 2.87Å; T57-W113 HydrophobicContact CG2-CH2 4.06Å; T57-W113 VanDerWaalsContact O-CZ3 3.3Å; T57-W113 WeakPolarHBondContact O-CZ3 3.37Å |
| 58 | V | 98.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.9 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 110 | L40 W42 V76 C77 C85 V100 R101 V102 | L40-V58 HydrophobicContact CD2-CG1 3.8Å; L40-V58 HydrophobicContact CD2-CG2 4.16Å; W42-V58 HydrophobicContact CH2-CG2 3.66Å; W42-V58 HydrophobicContact CZ3-CG2 3.78Å; V58-V76 PolarHBondContact O-N 2.99Å; V58-C77 HydrophobicContact CB-CB 4.27Å; V58-C77 HydrophobicContact CG2-CB 4.47Å; V58-C77 PolarHBondContact N-O 2.95Å; V58-C85 HydrophobicContact CB-CB 4.08Å; V58-C85 HydrophobicContact CG1-CB 4.28Å; V58-C85 HydrophobicContact CG2-CB 3.65Å; V58-V100 HydrophobicContact CG1-CG1 3.92Å; V58-R101 WeakPolarHBondContact CA-O 3.46Å; V58-V102 HydrophobicContact CG2-CB 4.06Å; V58-V102 HydrophobicContact CG2-CG2 3.75Å |
| 59 | Q | 98 | Very high | 89.6 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.4 | 176.7 | -64 | -174.3 | -22.9 | 0 | 0 | 111.2 | T57 W73 T74 T75 V100 R101 W113 | T57-Q59 HydrophobicContact CG2-CG 4.48Å; Q59-W73 HydrophobicContact CB-CB 4.34Å; Q59-W73 HydrophobicContact CB-CE3 4.09Å; Q59-T74 CarbonylContact C-O 3.56Å; Q59-T74 WeakPolarHBondContact CA-O 2.81Å; Q59-T75 PolarHBondContact NE2-OG1 3.45Å; Q59-V100 CarbonylContact O-C 3.58Å; Q59-V100 WeakPolarHBondContact O-CA 3.33Å; Q59-R101 HydrophobicContact CB-CG 4.01Å; Q59-R101 PolarHBondContact N-O 2.91Å; Q59-R101 PolarHBondContact O-N 3.28Å; Q59-R101 VanDerWaalsContact OE1-NE 3.14Å; Q59-W113 HydrophobicContact CB-CH2 4.4Å; Q59-W113 HydrophobicContact CB-CZ3 4.46Å; Q59-W113 HydrophobicContact CG-CH2 3.79Å; Q59-W113 HydrophobicContact CG-CZ3 4.28Å |
| 60 | Y | 97.7 | Very high | 90.4 | Very high | 32 Ų | 32 | 67.3 Ų | 67.3 | 13% | 0.125 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.2 | 168.5 | 77.3 | -77.2 | 0 | 0 | 0 | 111.6 | T74 V76 S90 L92 Y98 T99 | Y60-T74 HydrophobicContact CD1-CG2 4.37Å; Y60-T74 WeakPolarHBondContact CD1-O 3.09Å; Y60-T74 VanDerWaalsContact CE1-CB 3.46Å; Y60-T74 HydrophobicContact CE1-CG2 3.53Å; Y60-T74 PolarHBondContact N-O 2.87Å; Y60-T74 PolarHBondContact O-N 2.88Å; Y60-V76 HydrophobicContact CD1-CG2 3.36Å; Y60-V76 HydrophobicContact CE1-CG2 3.65Å; Y60-S90 PolarHBondContact OH-O 3.36Å; Y60-L92 HydrophobicContact CD2-CD2 3.48Å; Y60-L92 VanDerWaalsContact CD2-CD2 3.48Å; Y60-L92 HydrophobicContact CE1-CD2 4.47Å; Y60-L92 HydrophobicContact CE2-CD2 3.19Å; Y60-L92 HydrophobicContact CG-CD2 4.24Å; Y60-Y98 AromaticContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CE1 4.37Å; Y60-Y98 HydrophobicContact CE2-CD1 4.36Å; Y60-Y98 HydrophobicContact CE2-CE1 4.36Å; Y60-T99 CarbonylContact C-O 3.59Å; Y60-T99 VanDerWaalsContact CA-O 3.28Å; Y60-T99 WeakPolarHBondContact CA-O 2.92Å |
| 61 | A | 97.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L66 W73 Y98 T99 | A61-L66 HydrophobicContact CB-CD2 3.75Å; A61-L66 HydrophobicContact CB-CG 4.26Å; A61-W73 HydrophobicContact CB-CD2 3.84Å; A61-W73 HydrophobicContact CB-CE3 3.59Å; A61-W73 HydrophobicContact CB-CG 4.47Å; A61-W73 HydrophobicContact CB-CH2 4.21Å; A61-W73 HydrophobicContact CB-CZ2 4.44Å; A61-W73 HydrophobicContact CB-CZ3 3.79Å; A61-Y98 WeakPolarHBondContact O-CA 3.35Å; A61-T99 PolarHBondContact N-O 2.92Å; A61-T99 PolarHBondContact O-N 2.6Å |
| 62 | G | 95.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 144.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | H64 Q65 L66 | G62-H64 PolarHBondContact O-N 3.32Å; G62-H64 VanDerWaalsContact O-N 3.09Å; G62-Q65 WeakPolarHBondContact O-CA 3.4Å; G62-Q65 WeakPolarHBondContact O-CB 2.91Å; G62-Q65 PolarHBondContact O-N 2.94Å; G62-L66 PolarHBondContact O-N 3.45Å |
| 63 | N | 91 | Very high | 92.9 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.1 | -29.5 | -176.1 | -163.7 | 15.6 | 0 | 0 | 0 | 112.6 | Q65 L66 K67 L97 | N63-Q65 VanDerWaalsContact C-N 3.28Å; N63-Q65 PolarHBondContact O-N 2.93Å; N63-L66 PolarHBondContact O-N 3.48Å; N63-K67 PolarHBondContact O-N 3.34Å; N63-L97 HydrophobicContact CB-CB 4.25Å; N63-L97 HydrophobicContact CB-CD2 4.19Å; N63-L97 HydrophobicContact CB-CG 4.04Å; N63-L97 WeakPolarHBondContact CB-O 3.49Å; N63-L97 PolarHBondContact N-O 2.91Å; N63-L97 VanDerWaalsContact ND2-CD2 3.31Å; N63-L97 WeakPolarHBondContact ND2-CD2 3.4Å |
| 64 | H | 88.7 | Confident | 93.5 | Very high | 124 Ų | 124 | 65.3 Ų | 65.3 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63 | -29.4 | 172.8 | 69.5 | -90.3 | 0 | 0 | 0 | 113.6 | G62 | G62-H64 PolarHBondContact O-N 3.32Å; G62-H64 VanDerWaalsContact O-N 3.09Å |
| 65 | Q | 90 | Very high | 93.8 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -77.5 | -32.7 | 174.8 | -61.6 | -63.6 | -15.9 | 0 | 0 | 111.7 | G62 N63 K67 K68 P71 | G62-Q65 WeakPolarHBondContact O-CA 3.4Å; G62-Q65 WeakPolarHBondContact O-CB 2.91Å; G62-Q65 PolarHBondContact O-N 2.94Å; N63-Q65 VanDerWaalsContact C-N 3.28Å; N63-Q65 PolarHBondContact O-N 2.93Å; Q65-K67 PolarHBondContact O-N 3.32Å; Q65-K68 WeakPolarHBondContact O-CB 3.34Å; Q65-K68 PolarHBondContact O-N 2.94Å; Q65-K68 VanDerWaalsContact O-N 3.07Å; Q65-K68 VanDerWaalsContact OE1-CE 3.31Å; Q65-P71 WeakPolarHBondContact O-CA 3.14Å; Q65-P71 WeakPolarHBondContact O-CB 3.42Å |
| 66 | L | 89.8 | Confident | 93.9 | Very high | 49 Ų | 49 | 68.8 Ų | 68.8 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -25.6 | -179.9 | -61.3 | 179.7 | 0 | 0 | 0 | 113.2 | A61 G62 N63 K68 P71 W73 T99 | A61-L66 HydrophobicContact CB-CD2 3.75Å; A61-L66 HydrophobicContact CB-CG 4.26Å; G62-L66 PolarHBondContact O-N 3.45Å; N63-L66 PolarHBondContact O-N 3.48Å; L66-K68 PolarHBondContact O-N 3.34Å; L66-P71 HydrophobicContact CD2-CB 4.01Å; L66-W73 HydrophobicContact CD2-CH2 3.77Å; L66-W73 HydrophobicContact CD2-CZ2 3.44Å; L66-W73 VanDerWaalsContact CD2-CZ2 3.44Å; L66-T99 HydrophobicContact CD1-CG2 4.47Å; L66-T99 WeakPolarHBondContact CD1-OG1 3.42Å |
| 67 | K | 88.5 | Confident | 93.9 | Very high | 176 Ų | 176 | 69.9 Ų | 69.9 | 77% | 0.765 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -10.7 | 175.1 | -63.9 | -178.4 | -178.7 | -177 | 0 | 113.7 | N63 Q65 | N63-K67 PolarHBondContact O-N 3.34Å; Q65-K67 PolarHBondContact O-N 3.32Å |
| 68 | K | 91.2 | Very high | 93.8 | Very high | 112 Ų | 112 | 72.7 Ų | 72.7 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -84.2 | 153 | 179.3 | -60.7 | -178.2 | -179.4 | 173.1 | 0 | 110.4 | Q65 L66 N70 | Q65-K68 WeakPolarHBondContact O-CB 3.34Å; Q65-K68 PolarHBondContact O-N 2.94Å; Q65-K68 VanDerWaalsContact O-N 3.07Å; Q65-K68 VanDerWaalsContact OE1-CE 3.31Å; L66-K68 PolarHBondContact O-N 3.34Å; K68-N70 PolarHBondContact O-N 3.45Å |
| 69 | R | 87.6 | Confident | 93.5 | Very high | 243 Ų | 243 | 78.9 Ų | 78.9 | 92% | 0.917 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -53.7 | -40 | 176.9 | -173.5 | 177.4 | 179.4 | 179.6 | 0.5 | 112.9 | ||
| 70 | N | 89.2 | Confident | 93.3 | Very high | 136 Ų | 136 | 79.3 Ų | 79.3 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -122.6 | 91.4 | 176 | -66.8 | -22.9 | 0 | 0 | 0 | 108.7 | K68 K72 | K68-N70 PolarHBondContact O-N 3.45Å; N70-K72 PolarHBondContact O-N 3.28Å |
| 71 | P | 92 | Very high | 93 | Very high | 48 Ų | 48 | 81.9 Ų | 81.9 | 31% | 0.312 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 130.9 | -179 | 26.2 | -33.2 | 0 | 0 | 0 | 110.8 | Q65 L66 | Q65-P71 WeakPolarHBondContact O-CA 3.14Å; Q65-P71 WeakPolarHBondContact O-CB 3.42Å; L66-P71 HydrophobicContact CD2-CB 4.01Å |
| 72 | K | 94.1 | Very high | 92.8 | Very high | 151 Ų | 151 | 83.1 Ų | 83.1 | 66% | 0.657 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 118.6 | 173.9 | -173.4 | 177.6 | 179.2 | -179.4 | 0 | 109.3 | N70 | N70-K72 PolarHBondContact O-N 3.28Š|
| 73 | W | 96.4 | Very high | 92.8 | Very high | 56 Ų | 56 | 87.2 Ų | 87.2 | 21% | 0.212 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -100 | 141.6 | 173.2 | -65.8 | 87.9 | 0 | 0 | 0 | 110 | Q59 A61 L66 T99 R101 | Q59-W73 HydrophobicContact CB-CB 4.34Å; Q59-W73 HydrophobicContact CB-CE3 4.09Å; A61-W73 HydrophobicContact CB-CD2 3.84Å; A61-W73 HydrophobicContact CB-CE3 3.59Å; A61-W73 HydrophobicContact CB-CG 4.47Å; A61-W73 HydrophobicContact CB-CH2 4.21Å; A61-W73 HydrophobicContact CB-CZ2 4.44Å; A61-W73 HydrophobicContact CB-CZ3 3.79Å; L66-W73 HydrophobicContact CD2-CH2 3.77Å; L66-W73 HydrophobicContact CD2-CZ2 3.44Å; L66-W73 VanDerWaalsContact CD2-CZ2 3.44Å; W73-T99 HydrophobicContact CH2-CG2 3.99Å; W73-T99 HydrophobicContact CZ3-CG2 4.41Å; W73-R101 VanDerWaalsContact CD2-CZ 3.46Å; W73-R101 VanDerWaalsContact CE2-CZ 3.41Å; W73-R101 HydrophobicContact CE3-CG 3.97Å; W73-R101 HydrophobicContact CH2-CG 4.17Å; W73-R101 HydrophobicContact CZ3-CB 4.42Å; W73-R101 HydrophobicContact CZ3-CG 3.63Å |
| 74 | T | 97 | Very high | 93.1 | Very high | 60 Ų | 60 | 87.5 Ų | 87.5 | 37% | 0.368 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 108.5 | Q59 Y60 | Q59-T74 CarbonylContact C-O 3.56Å; Q59-T74 WeakPolarHBondContact CA-O 2.81Å; Y60-T74 HydrophobicContact CD1-CG2 4.37Å; Y60-T74 WeakPolarHBondContact CD1-O 3.09Å; Y60-T74 VanDerWaalsContact CE1-CB 3.46Å; Y60-T74 HydrophobicContact CE1-CG2 3.53Å; Y60-T74 PolarHBondContact N-O 2.87Å; Y60-T74 PolarHBondContact O-N 2.88Å |
| 75 | T | 97.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 81.7 Ų | 81.7 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 129.9 | 173.1 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | T57 Q59 A78 | T57-T75 HydrophobicContact CG2-CG2 4.12Å; Q59-T75 PolarHBondContact NE2-OG1 3.45Å; T75-A78 HydrophobicContact CG2-CB 4.12Å |
| 76 | V | 96.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 83.7 Ų | 83.7 | 26% | 0.255 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -54.6 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 110 | V58 Y60 D86 L87 | V58-V76 PolarHBondContact O-N 2.99Å; Y60-V76 HydrophobicContact CD1-CG2 3.36Å; Y60-V76 HydrophobicContact CE1-CG2 3.65Å; V76-D86 VanDerWaalsContact CG1-O 3.3Å; V76-D86 WeakPolarHBondContact CG1-O 3.46Å; V76-L87 HydrophobicContact CG1-CG 4.23Å; V76-L87 HydrophobicContact CG2-CD2 4.27Å; V76-L87 HydrophobicContact CG2-CG 4.28Å |
| 77 | C | 97.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 81.4 Ų | 81.4 | 18% | 0.176 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.9 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 108.7 | T57 V58 T80 C85 | T57-C77 WeakPolarHBondContact CA-O 3.01Å; V58-C77 HydrophobicContact CB-CB 4.27Å; V58-C77 HydrophobicContact CG2-CB 4.47Å; V58-C77 PolarHBondContact N-O 2.95Å; C77-T80 HydrophobicContact CB-CG2 4.18Å; C77-C85 HydrophobicContact CB-CB 3.89Å; C77-C85 WeakPolarHBondContact CB-SG 3.09Å; C77-C85 VanDerWaalsContact SG-CA 3.55Å; C77-C85 WeakPolarHBondContact SG-CB 3.49Å; C77-C85 CovalentContact SG-SG 2.04Å; C77-C85 PolarHBondContact SG-SG 3.49Å |
| 78 | A | 95.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 74 Ų | 74 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | T75 T80 | T75-A78 HydrophobicContact CG2-CB 4.12Å; A78-T80 VanDerWaalsContact C-N 3.32Å; A78-T80 PolarHBondContact O-N 3.28Å |
| 79 | E | 92.7 | Very high | 94.8 | Very high | 131 Ų | 131 | 79.9 Ų | 79.9 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.1 | 43.7 | 173.6 | -57.2 | -177.2 | 170.3 | 0 | 0 | 114.5 | T55 F56 | T55-E79 HydrophobicContact CG2-CB 4.48Å; F56-E79 CarbonylContact O-C 3.51Å; F56-E79 VanDerWaalsContact O-CA 3.31Å; F56-E79 WeakPolarHBondContact O-CA 3.37Å; F56-E79 PolarHBondContact O-N 2.96Å |
| 80 | T | 93.7 | Very high | 95 | Very high | 37 Ų | 37 | 69.4 Ų | 69.4 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 137.6 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | W42 T55 F56 C77 A78 G82 | W42-T80 HydrophobicContact CH2-CG2 4.16Å; W42-T80 HydrophobicContact CZ2-CG2 4.22Å; T55-T80 CarbonylContact C-O 3.53Å; T55-T80 VanDerWaalsContact CA-O 3.29Å; T55-T80 WeakPolarHBondContact CA-O 3.5Å; F56-T80 HydrophobicContact CB-CG2 4.03Å; F56-T80 WeakPolarHBondContact CD2-O 3.46Å; F56-T80 PolarHBondContact N-O 2.95Å; F56-T80 PolarHBondContact O-N 2.83Å; C77-T80 HydrophobicContact CB-CG2 4.18Å; A78-T80 VanDerWaalsContact C-N 3.32Å; A78-T80 PolarHBondContact O-N 3.28Å; T80-G82 PolarHBondContact OG1-N 3.26Å |
| 81 | S | 91.8 | Very high | 95.1 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 61% | 0.608 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -80 | -21.4 | 172.3 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 82 | G | 92.2 | Very high | 95.2 | Very high | 28 Ų | 28 | 65 Ų | 65 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -73 | 154.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W42 F56 T80 S84 | W42-G82 VanDerWaalsContact CZ2-O 3.25Å; W42-G82 WeakPolarHBondContact CZ2-O 3.34Å; F56-G82 WeakPolarHBondContact CD2-O 3.42Å; T80-G82 PolarHBondContact OG1-N 3.26Å; G82-S84 PolarHBondContact O-N 3.45Å |
| 83 | R | 95.3 | Very high | 95.2 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -86.3 | 26.5 | 172.7 | -70.3 | 178.7 | 175.9 | 74.5 | 5.2 | 112.6 | T41 W42 W44 Q46 F56 | T41-R83 WeakPolarHBondContact CA-O 3.48Å; W42-R83 PolarHBondContact N-O 2.86Å; W42-R83 WeakPolarHBondContact O-CB 3.45Å; W44-R83 PolarHBondContact O-NE 3.06Å; W44-R83 PolarHBondContact O-NH2 3.3Å; Q46-R83 VanDerWaalsContact OE1-NH2 3.08Å; F56-R83 HydrophobicContact CE2-CG 4.36Å |
| 84 | S | 97.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 60.3 Ų | 60.3 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.2 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | L40 G82 | L40-S84 CarbonylContact O-C 3.53Å; L40-S84 WeakPolarHBondContact O-CA 3.11Å; G82-S84 PolarHBondContact O-N 3.45Å |
| 85 | C | 98.1 | Very high | 95 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 131.3 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | T39 L40 W42 V58 C77 L87 | T39-C85 CarbonylContact C-O 3.53Å; T39-C85 WeakPolarHBondContact CA-O 3.29Å; L40-C85 PolarHBondContact N-O 3.4Å; L40-C85 PolarHBondContact O-N 3.21Å; W42-C85 HydrophobicContact CH2-CB 3.93Å; W42-C85 HydrophobicContact CZ3-CB 3.91Å; V58-C85 HydrophobicContact CB-CB 4.08Å; V58-C85 HydrophobicContact CG1-CB 4.28Å; V58-C85 HydrophobicContact CG2-CB 3.65Å; C77-C85 HydrophobicContact CB-CB 3.89Å; C77-C85 WeakPolarHBondContact CB-SG 3.09Å; C77-C85 VanDerWaalsContact SG-CA 3.55Å; C77-C85 WeakPolarHBondContact SG-CB 3.49Å; C77-C85 CovalentContact SG-SG 2.04Å; C77-C85 PolarHBondContact SG-SG 3.49Å; C85-L87 VanDerWaalsContact O-CD1 3.32Å; C85-L87 WeakPolarHBondContact O-CD1 3.41Å |
| 86 | D | 97.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.6 | 177.3 | -178.1 | 9.9 | 0 | 0 | 0 | 110.6 | Y38 V76 T88 | Y38-D86 VanDerWaalsContact O-OD1 3.1Å; V76-D86 VanDerWaalsContact CG1-O 3.3Å; V76-D86 WeakPolarHBondContact CG1-O 3.46Å; D86-T88 WeakPolarHBondContact OD1-CB 3.42Å; D86-T88 PolarHBondContact OD1-N 3.3Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å |
| 87 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -99.6 | -1.7 | 178 | -67.2 | 89.9 | 0 | 0 | 0 | 112.7 | M31 Y38 L40 V76 C85 R89 S90 V100 | M31-L87 HydrophobicContact CE-CD1 4.44Å; Y38-L87 PolarHBondContact O-N 3.42Å; L40-L87 HydrophobicContact CB-CD1 3.63Å; V76-L87 HydrophobicContact CG1-CG 4.23Å; V76-L87 HydrophobicContact CG2-CD2 4.27Å; V76-L87 HydrophobicContact CG2-CG 4.28Å; C85-L87 VanDerWaalsContact O-CD1 3.32Å; C85-L87 WeakPolarHBondContact O-CD1 3.41Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.01Å; L87-R89 VanDerWaalsContact O-N 3.16Å; L87-S90 WeakPolarHBondContact CA-OG 3.44Å; L87-S90 WeakPolarHBondContact O-CB 3.49Å; L87-S90 PolarHBondContact O-N 3.32Å; L87-S90 PolarHBondContact O-OG 3.49Å; L87-V100 HydrophobicContact CD2-CG1 3.85Å; L87-V100 HydrophobicContact CD2-CG2 3.98Å | ||
| 88 | T | 95.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 62 Ų | 62 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -50.9 | -43.7 | -173.7 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | N37 Y38 D86 S90 | N37-T88 WeakPolarHBondContact CA-OG1 3.26Å; N37-T88 VanDerWaalsContact OD1-CG2 3.29Å; N37-T88 WeakPolarHBondContact OD1-CG2 3.4Å; Y38-T88 PolarHBondContact N-OG1 3.36Å; Y38-T88 PolarHBondContact O-N 3.17Å; D86-T88 WeakPolarHBondContact OD1-CB 3.42Å; D86-T88 PolarHBondContact OD1-N 3.3Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å; T88-S90 VanDerWaalsContact C-N 3.31Å; T88-S90 PolarHBondContact O-N 2.75Å |
| 89 | R | 94.7 | Very high | 94.9 | Very high | 236 Ų | 236 | 59.2 Ų | 59.2 | 89% | 0.891 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -88.1 | 8.8 | -177.9 | -62.1 | -174.7 | 180 | -175.4 | 0.7 | 114.3 | L87 G91 | L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.01Å; L87-R89 VanDerWaalsContact O-N 3.16Å; R89-G91 PolarHBondContact O-N 3.42Å |
| 90 | S | 92.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 53 Ų | 53 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -76.9 | -1.1 | -179.3 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | Y60 L87 T88 L92 | Y60-S90 PolarHBondContact OH-O 3.36Å; L87-S90 WeakPolarHBondContact CA-OG 3.44Å; L87-S90 WeakPolarHBondContact O-CB 3.49Å; L87-S90 PolarHBondContact O-N 3.32Å; L87-S90 PolarHBondContact O-OG 3.49Å; T88-S90 VanDerWaalsContact C-N 3.31Å; T88-S90 PolarHBondContact O-N 2.75Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.39Å |
| 91 | G | 90.8 | Very high | 95.3 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 74% | 0.742 | 30% | 0.295 | S | S | * | . | trans | 64.2 | 35.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R89 N93 | R89-G91 PolarHBondContact O-N 3.42Å; G91-N93 PolarHBondContact O-N 2.04Å | ||
| 92 | L | 94.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -67 | 129.3 | 175.5 | -54.7 | -174.2 | 0 | 0 | 0 | 109.4 | Y38 Y60 S90 Y98 F118 | Y38-L92 HydrophobicContact CD2-CD1 4.01Å; Y38-L92 HydrophobicContact CE2-CB 4.23Å; Y38-L92 HydrophobicContact CE2-CD1 4.34Å; Y60-L92 HydrophobicContact CD2-CD2 3.48Å; Y60-L92 VanDerWaalsContact CD2-CD2 3.48Å; Y60-L92 HydrophobicContact CE1-CD2 4.47Å; Y60-L92 HydrophobicContact CE2-CD2 3.19Å; Y60-L92 HydrophobicContact CG-CD2 4.24Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.39Å; L92-Y98 HydrophobicContact CB-CE2 3.91Å; L92-Y98 HydrophobicContact CD1-CD2 4.46Å; L92-Y98 HydrophobicContact CD2-CD1 4.03Å; L92-Y98 HydrophobicContact CD2-CD2 4.5Å; L92-Y98 HydrophobicContact CD2-CE1 3.82Å; L92-Y98 HydrophobicContact CD2-CE2 4.31Å; L92-Y98 HydrophobicContact CD2-CG 4.37Å; L92-F118 HydrophobicContact CD1-CD1 4.31Å; L92-F118 HydrophobicContact CD1-CE1 4.18Å | ||
| 93 | N | 94 | Very high | 95.9 | Very high | 98 Ų | 98 | 48.8 Ų | 48.8 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | trans | -70 | 134.2 | 172.2 | -173.8 | -46.2 | 0 | 0 | 0 | 108.9 | G91 L95 G96 Y98 | G91-N93 PolarHBondContact O-N 2.04Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.84Å; N93-L95 PolarHBondContact OD1-N 3.31Å; N93-G96 PolarHBondContact O-N 2.95Å; N93-Y98 WeakPolarHBondContact CB-OH 3.4Å; N93-Y98 PolarHBondContact N-OH 3.3Å; N93-Y98 WeakPolarHBondContact O-CE2 3.31Å | ||
| 94 | Y | 94.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -39.1 | -177 | -166.2 | -103.6 | 0 | 0 | 0 | 112.9 | T36 G96 P120 D121 M156 Q159 L160 | T36-Y94 HydrophobicContact CG2-CD2 4.2Å; Y94-G96 VanDerWaalsContact C-N 3.26Å; Y94-G96 PolarHBondContact O-N 3.22Å; Y94-P120 HydrophobicContact CD2-CB 3.78Å; Y94-P120 HydrophobicContact CE2-CB 4.1Å; Y94-P120 HydrophobicContact CG-CB 4.37Å; Y94-P120 WeakPolarHBondContact O-CB 3.43Å; Y94-P120 WeakPolarHBondContact O-CD 3.39Å; Y94-D121 HydrophobicContact CD1-CB 3.91Å; Y94-D121 VanDerWaalsContact CE1-CA 3.48Å; Y94-D121 HydrophobicContact CE1-CB 3.82Å; Y94-D121 WeakPolarHBondContact O-CB 3.2Å; Y94-D121 PolarHBondContact O-N 2.75Å; Y94-M156 HydrophobicContact CE2-CE 3.88Å; Y94-Q159 HydrophobicContact CD1-CB 3.93Å; Y94-Q159 VanDerWaalsContact CD1-O 3.22Å; Y94-Q159 WeakPolarHBondContact CD1-O 3.35Å; Y94-Q159 HydrophobicContact CD2-CB 4.4Å; Y94-Q159 HydrophobicContact CE1-CB 4.29Å; Y94-Q159 WeakPolarHBondContact CE1-O 3.3Å; Y94-Q159 HydrophobicContact CG-CB 3.99Å; Y94-L160 HydrophobicContact CE1-CD2 4.03Å; Y94-L160 VanDerWaalsContact OH-CD2 3.25Å; Y94-L160 WeakPolarHBondContact OH-CD2 3.2Å |
| 95 | L | 93.7 | Very high | 95.7 | Very high | 120 Ų | 120 | 42.2 Ų | 42.2 | 63% | 0.628 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6 | 177.9 | -55.1 | 179.9 | 0 | 0 | 0 | 113.1 | N93 D121 | N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.84Å; N93-L95 PolarHBondContact OD1-N 3.31Å; L95-D121 HydrophobicContact CD2-CB 3.97Å |
| 96 | G | 94.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | trans | -82.8 | 146.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N93 Y94 Y98 P120 | N93-G96 PolarHBondContact O-N 2.95Å; Y94-G96 VanDerWaalsContact C-N 3.26Å; Y94-G96 PolarHBondContact O-N 3.22Å; G96-Y98 WeakPolarHBondContact O-CE2 3.18Å; G96-P120 WeakPolarHBondContact O-CD 3.33Å | ||
| 97 | L | 96.6 | Very high | 94.9 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | trans | -104.2 | 124.2 | 169.5 | -179.9 | 60.4 | 0 | 0 | 0 | 110.1 | N63 C119 | N63-L97 HydrophobicContact CB-CB 4.25Å; N63-L97 HydrophobicContact CB-CD2 4.19Å; N63-L97 HydrophobicContact CB-CG 4.04Å; N63-L97 WeakPolarHBondContact CB-O 3.49Å; N63-L97 PolarHBondContact N-O 2.91Å; N63-L97 VanDerWaalsContact ND2-CD2 3.31Å; N63-L97 WeakPolarHBondContact ND2-CD2 3.4Å; L97-C119 HydrophobicContact CD1-CB 4.01Å | ||
| 98 | Y | 97.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 154.3 | -174.4 | -59.3 | -81.4 | 0 | 0 | 0 | 111.8 | Y60 A61 L92 N93 G96 Q117 F118 | Y60-Y98 AromaticContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CE1 4.37Å; Y60-Y98 HydrophobicContact CE2-CD1 4.36Å; Y60-Y98 HydrophobicContact CE2-CE1 4.36Å; A61-Y98 WeakPolarHBondContact O-CA 3.35Å; L92-Y98 HydrophobicContact CB-CE2 3.91Å; L92-Y98 HydrophobicContact CD1-CD2 4.46Å; L92-Y98 HydrophobicContact CD2-CD1 4.03Å; L92-Y98 HydrophobicContact CD2-CD2 4.5Å; L92-Y98 HydrophobicContact CD2-CE1 3.82Å; L92-Y98 HydrophobicContact CD2-CE2 4.31Å; L92-Y98 HydrophobicContact CD2-CG 4.37Å; N93-Y98 WeakPolarHBondContact CB-OH 3.4Å; N93-Y98 PolarHBondContact N-OH 3.3Å; N93-Y98 WeakPolarHBondContact O-CE2 3.31Å; G96-Y98 WeakPolarHBondContact O-CE2 3.18Å; Y98-Q117 WeakPolarHBondContact O-CA 3.32Å; Y98-F118 PolarHBondContact N-O 2.9Å; Y98-F118 PolarHBondContact O-N 3.03Å |
| 99 | T | 97.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.2 | 160.5 | -60.6 | 0 | 0 | 0 | 0 | 107.6 | Y60 A61 L66 W73 I116 | Y60-T99 CarbonylContact C-O 3.59Å; Y60-T99 VanDerWaalsContact CA-O 3.28Å; Y60-T99 WeakPolarHBondContact CA-O 2.92Å; A61-T99 PolarHBondContact N-O 2.92Å; A61-T99 PolarHBondContact O-N 2.6Å; L66-T99 HydrophobicContact CD1-CG2 4.47Å; L66-T99 WeakPolarHBondContact CD1-OG1 3.42Å; W73-T99 HydrophobicContact CH2-CG2 3.99Å; W73-T99 HydrophobicContact CZ3-CG2 4.41Å; T99-I116 WeakPolarHBondContact CA-O 3.23Å |
| 100 | V | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 138.2 | 174.4 | -171.2 | 0 | 0 | 0 | 0 | 107.3 | L40 V58 Q59 L87 S115 I116 F118 | L40-V100 HydrophobicContact CD1-CG1 4.46Å; L40-V100 HydrophobicContact CD2-CG1 3.8Å; V58-V100 HydrophobicContact CG1-CG1 3.92Å; Q59-V100 CarbonylContact O-C 3.58Å; Q59-V100 WeakPolarHBondContact O-CA 3.33Å; L87-V100 HydrophobicContact CD2-CG1 3.85Å; L87-V100 HydrophobicContact CD2-CG2 3.98Å; V100-S115 CarbonylContact O-C 3.56Å; V100-S115 WeakPolarHBondContact O-CA 3.37Å; V100-S115 WeakPolarHBondContact O-CB 3.22Å; V100-I116 HydrophobicContact CB-CG2 4.11Å; V100-I116 PolarHBondContact N-O 2.82Å; V100-I116 PolarHBondContact O-N 2.98Å; V100-F118 HydrophobicContact CG2-CB 4.38Å |
| 101 | R | 97.5 | Very high | 94 | Very high | 46 Ų | 46 | 44 Ų | 44 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.3 | 179.6 | 64.7 | 176.6 | -169.9 | -178 | 0.9 | 111.8 | V58 Q59 W73 W113 K114 | V58-R101 WeakPolarHBondContact CA-O 3.46Å; Q59-R101 HydrophobicContact CB-CG 4.01Å; Q59-R101 PolarHBondContact N-O 2.91Å; Q59-R101 PolarHBondContact O-N 3.28Å; Q59-R101 VanDerWaalsContact OE1-NE 3.14Å; W73-R101 VanDerWaalsContact CD2-CZ 3.46Å; W73-R101 VanDerWaalsContact CE2-CZ 3.41Å; W73-R101 HydrophobicContact CE3-CG 3.97Å; W73-R101 HydrophobicContact CH2-CG 4.17Å; W73-R101 HydrophobicContact CZ3-CB 4.42Å; W73-R101 HydrophobicContact CZ3-CG 3.63Å; R101-W113 HydrophobicContact CB-CB 4.44Å; R101-W113 HydrophobicContact CB-CD2 4.42Å; R101-W113 HydrophobicContact CB-CE3 3.76Å; R101-W113 HydrophobicContact CB-CZ3 4.43Å; R101-W113 VanDerWaalsContact CD-CD2 3.48Å; R101-W113 VanDerWaalsContact CD-CE3 3.49Å; R101-W113 HydrophobicContact CG-CD2 3.95Å; R101-W113 HydrophobicContact CG-CE3 3.37Å; R101-W113 HydrophobicContact CG-CZ3 3.74Å; R101-K114 CarbonylContact C-O 3.55Å; R101-K114 WeakPolarHBondContact CA-O 3.31Å; R101-K114 WeakPolarHBondContact CB-O 3.35Å |
| 102 | V | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.1 | 175.7 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | P26 L29 L40 W42 F56 T57 V58 W113 K114 | P26-V102 HydrophobicContact CB-CG1 3.76Å; P26-V102 HydrophobicContact CG-CG1 3.87Å; P26-V102 HydrophobicContact CG-CG2 4.07Å; L29-V102 HydrophobicContact CD1-CG1 3.92Å; L29-V102 HydrophobicContact CD2-CG1 3.89Å; L29-V102 HydrophobicContact CG-CG1 3.95Å; L40-V102 HydrophobicContact CD2-CB 4.25Å; L40-V102 HydrophobicContact CD2-CG1 4.48Å; W42-V102 HydrophobicContact CD2-CG1 4.42Å; W42-V102 HydrophobicContact CD2-CG2 4.07Å; W42-V102 HydrophobicContact CE3-CG2 4.27Å; W42-V102 HydrophobicContact CG-CG1 4.46Å; W42-V102 HydrophobicContact CH2-CG2 4.27Å; W42-V102 HydrophobicContact CZ2-CG2 4.06Å; W42-V102 HydrophobicContact CZ3-CG2 4.37Å; F56-V102 HydrophobicContact CB-CG2 4.08Å; F56-V102 HydrophobicContact CD1-CG2 4.48Å; T57-V102 WeakPolarHBondContact O-CA 3.19Å; V58-V102 HydrophobicContact CG2-CB 4.06Å; V58-V102 HydrophobicContact CG2-CG2 3.75Å; V102-W113 VanDerWaalsContact C-CE3 3.45Å; V102-K114 PolarHBondContact N-O 2.83Å; V102-K114 PolarHBondContact O-N 2.88Å |
| 103 | Q | 96.4 | Very high | 94.3 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.8 | 169.7 | 68.4 | 174.7 | 33.4 | 0 | 0 | 109 | F56 T57 N105 H110 W113 | F56-Q103 WeakPolarHBondContact CA-O 3.36Å; T57-Q103 PolarHBondContact N-O 3.23Å; T57-Q103 PolarHBondContact O-N 3.2Å; T57-Q103 VanDerWaalsContact O-N 3.11Å; Q103-N105 PolarHBondContact NE2-OD1 3.49Å; Q103-H110 VanDerWaalsContact NE2-CG 3.35Å; Q103-H110 PolarHBondContact NE2-ND1 2.65Å; Q103-W113 HydrophobicContact CB-CD2 3.93Å; Q103-W113 HydrophobicContact CB-CE3 3.73Å; Q103-W113 HydrophobicContact CB-CH2 4.36Å; Q103-W113 HydrophobicContact CB-CZ3 3.97Å; Q103-W113 HydrophobicContact CG-CD2 4.19Å; Q103-W113 HydrophobicContact CG-CE3 3.94Å; Q103-W113 HydrophobicContact CG-CH2 3.63Å; Q103-W113 HydrophobicContact CG-CZ2 3.89Å; Q103-W113 HydrophobicContact CG-CZ3 3.67Å; Q103-W113 VanDerWaalsContact OE1-NE1 3.11Å |
| 104 | T | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 142.7 | 169.8 | -48.3 | 0 | 0 | 0 | 0 | 109.1 | L23 T24 P26 W44 A54 T55 F56 H110 S111 | L23-T104 HydrophobicContact CD2-CG2 3.87Å; L23-T104 WeakPolarHBondContact CD2-O 3.2Å; L23-T104 HydrophobicContact CG-CG2 4.27Å; T24-T104 PolarHBondContact O-OG1 3.22Å; P26-T104 WeakPolarHBondContact CD-OG1 3.41Å; P26-T104 WeakPolarHBondContact CG-OG1 3.49Å; W44-T104 HydrophobicContact CD2-CG2 4.31Å; W44-T104 HydrophobicContact CH2-CG2 4.39Å; W44-T104 HydrophobicContact CZ2-CG2 3.79Å; W44-T104 PolarHBondContact NE1-OG1 2.79Å; A54-T104 HydrophobicContact CB-CG2 3.79Å; T55-T104 CarbonylContact O-C 3.48Å; F56-T104 HydrophobicContact CD1-CG2 4.18Å; F56-T104 HydrophobicContact CE1-CG2 3.79Å; F56-T104 WeakPolarHBondContact CE1-OG1 3.42Å; F56-T104 HydrophobicContact CZ-CG2 4.43Å; T104-H110 WeakPolarHBondContact O-CA 3.49Å; T104-S111 PolarHBondContact N-OG 3.04Å; T104-S111 PolarHBondContact O-N 3.2Å |
| 105 | N | 93.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132 | 171.6 | -36 | -57.3 | 0 | 0 | 0 | 108.3 | T55 T57 Q103 S109 H110 | T55-N105 PolarHBondContact N-O 2.83Å; T55-N105 PolarHBondContact O-N 3.01Å; T55-N105 PolarHBondContact OG1-ND2 3.5Å; T57-N105 PolarHBondContact OG1-ND2 2.87Å; Q103-N105 PolarHBondContact NE2-OD1 3.49Å; N105-S109 WeakPolarHBondContact CA-O 3.43Å; N105-H110 PolarHBondContact OD1-CE1 2.81Å; N105-H110 PolarHBondContact OD1-ND1 2.82Å |
| 106 | L | 91.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 121.5 | 177.3 | -170.5 | 69.7 | 0 | 0 | 0 | 109 | L23 A49 D52 A54 G108 S109 | L23-L106 HydrophobicContact CD1-CB 3.88Å; L23-L106 HydrophobicContact CD1-CD2 3.73Å; L23-L106 HydrophobicContact CD1-CG 4.47Å; L23-L106 HydrophobicContact CD2-CB 3.71Å; L23-L106 HydrophobicContact CG-CB 4.48Å; A49-L106 HydrophobicContact CB-CD1 4.08Å; A49-L106 HydrophobicContact CB-CD2 4.3Å; D52-L106 HydrophobicContact CB-CD1 3.82Å; A54-L106 HydrophobicContact CB-CD1 4.2Å; L106-G108 PolarHBondContact O-N 3.35Å; L106-G108 VanDerWaalsContact O-N 3.1Å; L106-S109 PolarHBondContact N-O 2.77Å; L106-S109 WeakPolarHBondContact O-CA 3.39Å; L106-S109 WeakPolarHBondContact O-CB 3.41Å; L106-S109 PolarHBondContact O-N 3.07Å |
| 107 | N | 86.4 | Confident | 94.9 | Very high | 121 Ų | 121 | 53.4 Ų | 53.4 | 65% | 0.647 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.9 | 176.3 | -60.4 | -24.6 | 0 | 0 | 0 | 114.5 | D52 S109 | D52-N107 PolarHBondContact OD2-ND2 3.04Å; N107-S109 VanDerWaalsContact C-N 3.25Å; N107-S109 PolarHBondContact O-N 2.87Å |
| 108 | G | 84.5 | Confident | 95 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 73% | 0.732 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -2.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L106 | L106-G108 PolarHBondContact O-N 3.35Å; L106-G108 VanDerWaalsContact O-N 3.1Å |
| 109 | S | 89.7 | Confident | 94.9 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 53% | 0.531 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 154.7 | 170.5 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | N105 L106 N107 | N105-S109 WeakPolarHBondContact CA-O 3.43Å; L106-S109 PolarHBondContact N-O 2.77Å; L106-S109 WeakPolarHBondContact O-CA 3.39Å; L106-S109 WeakPolarHBondContact O-CB 3.41Å; L106-S109 PolarHBondContact O-N 3.07Å; N107-S109 VanDerWaalsContact C-N 3.25Å; N107-S109 PolarHBondContact O-N 2.87Å |
| 110 | H | 93.3 | Very high | 94.9 | Very high | 105 Ų | 105 | 49.1 Ų | 49.1 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.2 | -177.5 | -57.9 | -68 | 0 | 0 | 0 | 111.7 | Q103 T104 N105 | Q103-H110 VanDerWaalsContact NE2-CG 3.35Å; Q103-H110 PolarHBondContact NE2-ND1 2.65Å; T104-H110 WeakPolarHBondContact O-CA 3.49Å; N105-H110 PolarHBondContact OD1-CE1 2.81Å; N105-H110 PolarHBondContact OD1-ND1 2.82Å |
| 111 | S | 94.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 169 | 171.1 | 76.4 | 0 | 0 | 0 | 0 | 111.1 | L23 T104 | L23-S111 WeakPolarHBondContact O-CB 3.45Å; T104-S111 PolarHBondContact N-OG 3.04Å; T104-S111 PolarHBondContact O-N 3.2Å |
| 112 | V | 95.6 | Very high | 94.6 | Very high | 117 Ų | 117 | 53.5 Ų | 53.5 | 71% | 0.709 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 147.8 | 162.8 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | P25 | P25-V112 WeakPolarHBondContact CB-O 3.16Š|
| 113 | W | 96.8 | Very high | 94.5 | Very high | 72 Ų | 72 | 57 Ų | 57 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 130.8 | 174.4 | -69.7 | 96 | 0 | 0 | 0 | 111.4 | T57 Q59 R101 V102 Q103 | T57-W113 HydrophobicContact CG2-CH2 4.06Å; T57-W113 VanDerWaalsContact O-CZ3 3.3Å; T57-W113 WeakPolarHBondContact O-CZ3 3.37Å; Q59-W113 HydrophobicContact CB-CH2 4.4Å; Q59-W113 HydrophobicContact CB-CZ3 4.46Å; Q59-W113 HydrophobicContact CG-CH2 3.79Å; Q59-W113 HydrophobicContact CG-CZ3 4.28Å; R101-W113 HydrophobicContact CB-CB 4.44Å; R101-W113 HydrophobicContact CB-CD2 4.42Å; R101-W113 HydrophobicContact CB-CE3 3.76Å; R101-W113 HydrophobicContact CB-CZ3 4.43Å; R101-W113 VanDerWaalsContact CD-CD2 3.48Å; R101-W113 VanDerWaalsContact CD-CE3 3.49Å; R101-W113 HydrophobicContact CG-CD2 3.95Å; R101-W113 HydrophobicContact CG-CE3 3.37Å; R101-W113 HydrophobicContact CG-CZ3 3.74Å; V102-W113 VanDerWaalsContact C-CE3 3.45Å; Q103-W113 HydrophobicContact CB-CD2 3.93Å; Q103-W113 HydrophobicContact CB-CE3 3.73Å; Q103-W113 HydrophobicContact CB-CH2 4.36Å; Q103-W113 HydrophobicContact CB-CZ3 3.97Å; Q103-W113 HydrophobicContact CG-CD2 4.19Å; Q103-W113 HydrophobicContact CG-CE3 3.94Å; Q103-W113 HydrophobicContact CG-CH2 3.63Å; Q103-W113 HydrophobicContact CG-CZ2 3.89Å; Q103-W113 HydrophobicContact CG-CZ3 3.67Å; Q103-W113 VanDerWaalsContact OE1-NE1 3.11Å |
| 114 | K | 97.6 | Very high | 94.5 | Very high | 99 Ų | 99 | 56.1 Ų | 56.1 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 136.7 | 163.3 | -171.1 | 70.3 | 172.2 | -170 | 0 | 109.1 | P26 L29 R101 V102 | P26-K114 WeakPolarHBondContact O-CB 3.42Å; P26-K114 VanDerWaalsContact O-CG 3.28Å; P26-K114 WeakPolarHBondContact O-CG 3.43Å; L29-K114 HydrophobicContact CD1-CB 4.04Å; L29-K114 HydrophobicContact CD1-CG 3.45Å; L29-K114 VanDerWaalsContact CD1-CG 3.45Å; L29-K114 HydrophobicContact CD2-CB 4.22Å; L29-K114 HydrophobicContact CD2-CG 3.82Å; L29-K114 HydrophobicContact CG-CG 4.26Å; R101-K114 CarbonylContact C-O 3.55Å; R101-K114 WeakPolarHBondContact CA-O 3.31Å; R101-K114 WeakPolarHBondContact CB-O 3.35Å; V102-K114 PolarHBondContact N-O 2.83Å; V102-K114 PolarHBondContact O-N 2.88Å |
| 115 | S | 97.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155.5 | -175.6 | 58 | 0 | 0 | 0 | 0 | 113.6 | V100 | V100-S115 CarbonylContact O-C 3.56Å; V100-S115 WeakPolarHBondContact O-CA 3.37Å; V100-S115 WeakPolarHBondContact O-CB 3.22Å |
| 116 | I | 97.6 | Very high | 94.6 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.3 | 173.2 | -171 | 166.4 | 0 | 0 | 0 | 109.3 | L29 L40 T99 V100 | L29-I116 HydrophobicContact CB-CB 4.35Å; L29-I116 HydrophobicContact CB-CD1 4.47Å; L29-I116 HydrophobicContact CB-CG2 4.45Å; L29-I116 HydrophobicContact CD2-CB 4.25Å; L29-I116 HydrophobicContact CD2-CG2 4.19Å; L40-I116 HydrophobicContact CD1-CG2 3.95Å; T99-I116 WeakPolarHBondContact CA-O 3.23Å; V100-I116 HydrophobicContact CB-CG2 4.11Å; V100-I116 PolarHBondContact N-O 2.82Å; V100-I116 PolarHBondContact O-N 2.98Å |
| 117 | Q | 97.3 | Very high | 94.9 | Very high | 128 Ų | 128 | 57.2 Ų | 57.2 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140.9 | 170.1 | -70.6 | -170.6 | -15 | 0 | 0 | 109.9 | Y98 | Y98-Q117 WeakPolarHBondContact O-CA 3.32Å |
| 118 | F | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 124.8 | -178.2 | 178.4 | -123.2 | 0 | 0 | 0 | 110.7 | M31 T33 Y38 L92 Y98 V100 P120 D123 | M31-F118 HydrophobicContact CB-CD2 4.24Å; M31-F118 HydrophobicContact CB-CE2 4.38Å; M31-F118 HydrophobicContact CE-CD1 3.95Å; M31-F118 HydrophobicContact CE-CD2 4.35Å; M31-F118 HydrophobicContact CE-CE1 3.91Å; M31-F118 HydrophobicContact CE-CE2 4.34Å; M31-F118 HydrophobicContact CE-CG 4.18Å; M31-F118 HydrophobicContact CE-CZ 4.12Å; M31-F118 HydrophobicContact CG-CB 4.43Å; M31-F118 HydrophobicContact CG-CD2 3.99Å; M31-F118 HydrophobicContact CG-CG 4.19Å; T33-F118 HydrophobicContact CG2-CE2 3.77Å; T33-F118 HydrophobicContact CG2-CZ 3.87Å; Y38-F118 HydrophobicContact CD1-CE1 4.03Å; Y38-F118 AromaticContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD2-CE1 4.09Å; Y38-F118 HydrophobicContact CD2-CZ 4.48Å; Y38-F118 HydrophobicContact CE1-CE1 4.33Å; Y38-F118 AromaticContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE2-CE1 4.39Å; Y38-F118 AromaticContact CG-CE1 3.9Å; Y38-F118 HydrophobicContact CG-CE1 3.9Å; Y38-F118 AromaticContact CG-CZ 3.94Å; Y38-F118 HydrophobicContact CG-CZ 3.94Å; L92-F118 HydrophobicContact CD1-CD1 4.31Å; L92-F118 HydrophobicContact CD1-CE1 4.18Å; Y98-F118 PolarHBondContact N-O 2.9Å; Y98-F118 PolarHBondContact O-N 3.03Å; V100-F118 HydrophobicContact CG2-CB 4.38Å; F118-P120 HydrophobicContact CD1-CG 4.35Å; F118-P120 HydrophobicContact CE1-CB 4.37Å; F118-P120 HydrophobicContact CE1-CG 3.7Å; F118-P120 HydrophobicContact CZ-CB 4.11Å; F118-P120 HydrophobicContact CZ-CG 3.94Å; F118-D123 HydrophobicContact CD2-CB 3.94Å; F118-D123 HydrophobicContact CE2-CB 3.94Å |
| 119 | C | 96.5 | Very high | 96 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 12% | 0.122 | 27% | 0.271 | C | S | . | . | trans | -123.3 | 107.9 | 172.2 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | L97 D121 K122 D123 | L97-C119 HydrophobicContact CD1-CB 4.01Å; C119-D121 VanDerWaalsContact C-N 3.31Å; C119-D121 PolarHBondContact O-N 2.67Å; C119-K122 HydrophobicContact CB-CB 4.03Å; C119-K122 PolarHBondContact O-N 2.92Å; C119-D123 PolarHBondContact N-OD2 2.87Å; C119-D123 WeakPolarHBondContact O-CB 3.28Å; C119-D123 PolarHBondContact O-N 3.24Å | ||
| 120 | P | 96.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.4 | -44.1 | -175.5 | -23.1 | 30.7 | 0 | 0 | 0 | 113.2 | Y38 Y94 G96 F118 K122 D123 A124 | Y38-P120 HydrophobicContact CE1-CB 4.1Å; Y38-P120 HydrophobicContact CE2-CG 4.33Å; Y38-P120 WeakPolarHBondContact OH-CB 3.41Å; Y94-P120 HydrophobicContact CD2-CB 3.78Å; Y94-P120 HydrophobicContact CE2-CB 4.1Å; Y94-P120 HydrophobicContact CG-CB 4.37Å; Y94-P120 WeakPolarHBondContact O-CB 3.43Å; Y94-P120 WeakPolarHBondContact O-CD 3.39Å; G96-P120 WeakPolarHBondContact O-CD 3.33Å; F118-P120 HydrophobicContact CD1-CG 4.35Å; F118-P120 HydrophobicContact CE1-CB 4.37Å; F118-P120 HydrophobicContact CE1-CG 3.7Å; F118-P120 HydrophobicContact CZ-CB 4.11Å; F118-P120 HydrophobicContact CZ-CG 3.94Å; P120-K122 PolarHBondContact O-N 2.79Å; P120-D123 PolarHBondContact O-N 2.78Å; P120-A124 HydrophobicContact CB-CB 4.48Å; P120-A124 WeakPolarHBondContact O-CA 3.29Å; P120-A124 WeakPolarHBondContact O-CB 3.41Å; P120-A124 PolarHBondContact O-N 2.8Å |
| 121 | D | 94.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.5 | -40 | 176.7 | -177.7 | 30.2 | 0 | 0 | 0 | 112.8 | Y94 L95 C119 Y213 K215 | Y94-D121 HydrophobicContact CD1-CB 3.91Å; Y94-D121 VanDerWaalsContact CE1-CA 3.48Å; Y94-D121 HydrophobicContact CE1-CB 3.82Å; Y94-D121 WeakPolarHBondContact O-CB 3.2Å; Y94-D121 PolarHBondContact O-N 2.75Å; L95-D121 HydrophobicContact CD2-CB 3.97Å; C119-D121 VanDerWaalsContact C-N 3.31Å; C119-D121 PolarHBondContact O-N 2.67Å; D121-Y213 HydrophobicContact CB-CE2 4.34Å; D121-Y213 WeakPolarHBondContact O-CD2 3.06Å; D121-Y213 WeakPolarHBondContact O-CE2 3.38Å; D121-Y213 WeakPolarHBondContact OD2-CE2 3.5Å; D121-K215 WeakPolarHBondContact O-CE 3.49Å; D121-K215 PolarHBondContact O-NZ 2.9Å |
| 122 | K | 94.8 | Very high | 96.6 | Very high | 122 Ų | 122 | 49.5 Ų | 49.5 | 53% | 0.53 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -84.9 | -48.2 | 178.6 | -175 | -178.7 | 175.9 | -172.8 | 0 | 113.2 | C119 P120 Y213 K215 | C119-K122 HydrophobicContact CB-CB 4.03Å; C119-K122 PolarHBondContact O-N 2.92Å; P120-K122 PolarHBondContact O-N 2.79Å; K122-Y213 HydrophobicContact CB-CD1 4.38Å; K122-Y213 HydrophobicContact CB-CD2 4.43Å; K122-Y213 HydrophobicContact CB-CE1 3.97Å; K122-Y213 HydrophobicContact CB-CE2 4.01Å; K122-Y213 HydrophobicContact CD-CE1 4.19Å; K122-Y213 HydrophobicContact CG-CD1 3.91Å; K122-Y213 HydrophobicContact CG-CE1 3.68Å; K122-Y213 HydrophobicContact CG-CG 4.45Å; K122-K215 VanDerWaalsContact C-NZ 3.26Å; K122-K215 PolarHBondContact O-NZ 2.86Å |
| 123 | D | 95.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -97.9 | -21.3 | -162.2 | -53.1 | -38.5 | 0 | 0 | 0 | 112.9 | F118 C119 P120 | F118-D123 HydrophobicContact CD2-CB 3.94Å; F118-D123 HydrophobicContact CE2-CB 3.94Å; C119-D123 PolarHBondContact N-OD2 2.87Å; C119-D123 WeakPolarHBondContact O-CB 3.28Å; C119-D123 PolarHBondContact O-N 3.24Å; P120-D123 PolarHBondContact O-N 2.78Å |
| 124 | A | 96.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -75 | 132.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T33 Y38 P120 K215 | T33-A124 VanDerWaalsContact OG1-CA 3.31Å; T33-A124 WeakPolarHBondContact OG1-CA 3.2Å; Y38-A124 HydrophobicContact CE1-CB 4.09Å; P120-A124 HydrophobicContact CB-CB 4.48Å; P120-A124 WeakPolarHBondContact O-CA 3.29Å; P120-A124 WeakPolarHBondContact O-CB 3.41Å; P120-A124 PolarHBondContact O-N 2.8Å; A124-K215 PolarHBondContact O-NZ 2.84Å |
| 125 | A | 96.5 | Very high | 96.3 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 145.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T33 N35 | T33-A125 PolarHBondContact OG1-N 2.84Å; N35-A125 PolarHBondContact N-O 2.79Å |
| 126 | I | 96.7 | Very high | 96 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -91.3 | 135.4 | 170.7 | -169.7 | 178.2 | 0 | 0 | 0 | 109.9 | L160 L163 K215 S217 | I126-L160 HydrophobicContact CD1-CD1 3.4Å; I126-L160 HydrophobicContact CG1-CD1 4.22Å; I126-L163 HydrophobicContact CD1-CD1 3.5Å; I126-K215 HydrophobicContact CG2-CB 3.79Å; I126-S217 WeakPolarHBondContact O-CA 3.47Å; I126-S217 WeakPolarHBondContact O-CB 3.21Å |
| 127 | G | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 162.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N35 P148 S208 S217 | N35-G127 PolarHBondContact OD1-N 2.77Å; G127-P148 VanDerWaalsContact O-CG 3.28Å; G127-P148 WeakPolarHBondContact O-CG 3.21Å; G127-S208 WeakPolarHBondContact O-CB 3.44Å; G127-S217 WeakPolarHBondContact O-CB 3.32Å |
| 128 | P | 97.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 169.6 | 171.4 | 26.9 | -33.3 | 0 | 0 | 0 | 111.2 | S130 S217 T218 T220 | P128-S130 PolarHBondContact O-N 2.83Å; P128-S217 VanDerWaalsContact N-CB 3.32Å; P128-T218 WeakPolarHBondContact CB-O 3.46Å; P128-T220 HydrophobicContact CB-CG2 3.89Å |
| 129 | P | 97.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -48.8 | 132.9 | 168.7 | -26.1 | 33.6 | 0 | 0 | 0 | 111.7 | K131 V132 I145 T146 Y165 I206 S208 T220 | P129-K131 PolarHBondContact O-N 3.11Å; P129-V132 HydrophobicContact CB-CG2 4.07Å; P129-I145 HydrophobicContact CB-CG2 3.66Å; P129-I145 HydrophobicContact CG-CG2 3.84Å; P129-T146 CarbonylContact C-O 3.59Å; P129-T146 WeakPolarHBondContact CA-O 3.34Å; P129-T146 WeakPolarHBondContact CB-O 3.32Å; P129-Y165 HydrophobicContact CG-CD1 3.82Å; P129-Y165 HydrophobicContact CG-CE1 3.82Å; P129-I206 HydrophobicContact CG-CB 4.29Å; P129-I206 HydrophobicContact CG-CG2 3.83Å; P129-S208 WeakPolarHBondContact CD-OG 3.13Å; P129-T220 HydrophobicContact CG-CG2 4.42Å |
| 130 | S | 96.5 | Very high | 93.3 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -65.8 | -27.7 | -175.2 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | P128 T146 D147 P148 Q149 | P128-S130 PolarHBondContact O-N 2.83Å; S130-T146 PolarHBondContact N-O 3.05Å; S130-D147 WeakPolarHBondContact CB-O 3.46Å; S130-D147 PolarHBondContact OG-O 3.4Å; S130-P148 WeakPolarHBondContact OG-CA 3.35Å; S130-Q149 WeakPolarHBondContact OG-CG 3.36Å; S130-Q149 PolarHBondContact OG-N 2.76Å |
| 131 | K | 96 | Very high | 93.1 | Very high | 92 Ų | 92 | 44.4 Ų | 44.4 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 138.6 | 178.2 | -170.9 | 172.1 | -171.9 | 166 | 0 | 110.8 | P129 T146 | P129-K131 PolarHBondContact O-N 3.11Å; K131-T146 PolarHBondContact O-N 2.96Å |
| 132 | V | 96.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.1 | 171.8 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | P129 I143 F144 I206 T220 L223 | P129-V132 HydrophobicContact CB-CG2 4.07Å; V132-I143 HydrophobicContact CG1-CG2 4.15Å; V132-F144 CarbonylContact C-O 3.57Å; V132-F144 WeakPolarHBondContact CA-O 3.25Å; V132-I206 HydrophobicContact CB-CD1 4.48Å; V132-I206 HydrophobicContact CG1-CD1 3.65Å; V132-I206 HydrophobicContact CG2-CD1 3.92Å; V132-I206 HydrophobicContact CG2-CG1 4.49Å; V132-T220 HydrophobicContact CG2-CG2 4.11Å; V132-L223 HydrophobicContact CG1-CD2 4.27Å |
| 133 | R | 96.1 | Very high | 93.1 | Very high | 147 Ų | 147 | 39.5 Ų | 39.5 | 56% | 0.555 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.5 | 172 | -70.4 | 175.7 | 157.6 | 140.5 | -13.5 | 109.4 | F144 | R133-F144 HydrophobicContact CB-CB 4.2Å; R133-F144 HydrophobicContact CB-CD2 4.44Å; R133-F144 PolarHBondContact N-O 3.37Å; R133-F144 PolarHBondContact O-N 2.86Å |
| 134 | L | 95.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.1 | 172.9 | -58.1 | -179.4 | 0 | 0 | 0 | 108.7 | L141 D142 I143 V204 L223 T225 | L134-L141 HydrophobicContact CB-CD1 4.05Å; L134-L141 HydrophobicContact CD2-CD1 4.38Å; L134-D142 CarbonylContact C-O 3.48Å; L134-D142 WeakPolarHBondContact CA-O 3.26Å; L134-I143 HydrophobicContact CD2-CB 4.26Å; L134-I143 HydrophobicContact CD2-CD1 4.46Å; L134-I143 HydrophobicContact CD2-CG1 3.87Å; L134-I143 HydrophobicContact CD2-CG2 4.03Å; L134-V204 HydrophobicContact CD1-CG2 4.17Å; L134-V204 HydrophobicContact CD2-CB 4.44Å; L134-V204 HydrophobicContact CD2-CG2 4.11Å; L134-L223 HydrophobicContact CD1-CB 4.26Å; L134-L223 HydrophobicContact CD1-CD2 4.11Å; L134-L223 HydrophobicContact CD1-CG 3.76Å; L134-L223 WeakPolarHBondContact CD1-O 3.38Å; L134-L223 HydrophobicContact CG-CD2 3.73Å; L134-L223 HydrophobicContact CG-CG 3.98Å; L134-T225 HydrophobicContact CB-CG2 4.07Å; L134-T225 HydrophobicContact CD1-CG2 3.82Å |
| 135 | G | 92.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D142 | G135-D142 PolarHBondContact N-O 2.93Å; G135-D142 PolarHBondContact O-N 3.17Å |
| 136 | V | 90.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.2 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | L141 T225 E228 | V136-L141 HydrophobicContact CG2-CD1 4.13Å; V136-T225 HydrophobicContact CG2-CG2 3.7Å; V136-E228 HydrophobicContact CG1-CB 4.07Å; V136-E228 HydrophobicContact CG1-CG 3.94Å |
| 137 | S | 84.9 | Confident | 93.2 | Very high | 77 Ų | 77 | 41.7 Ų | 41.7 | 54% | 0.538 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 88.1 | 176.8 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | S139 T140 | S137-S139 PolarHBondContact O-N 2.89Å; S137-T140 PolarHBondContact N-O 3.03Å; S137-T140 VanDerWaalsContact N-O 3.07Å; S137-T140 PolarHBondContact O-N 2.88Å; S137-T140 PolarHBondContact O-OG1 2.73Å |
| 138 | G | 79.7 | Confident | 93.2 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -124.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T140 E228 | G138-T140 PolarHBondContact O-N 3.36Å; G138-E228 CarbonylContact C-O 2.92Å; G138-E228 WeakPolarHBondContact CA-O 3.47Å |
| 139 | S | 79.9 | Confident | 93.2 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 47% | 0.469 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 23.3 | -178.3 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | S137 V196 | S137-S139 PolarHBondContact O-N 2.89Å; S139-V196 WeakPolarHBondContact O-CG2 3.42Å |
| 140 | T | 87.9 | Confident | 93.1 | Very high | 35 Ų | 35 | 44 Ų | 44 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.5 | 174.6 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | S137 G138 T192 L193 | S137-T140 PolarHBondContact N-O 3.03Å; S137-T140 VanDerWaalsContact N-O 3.07Å; S137-T140 PolarHBondContact O-N 2.88Å; S137-T140 PolarHBondContact O-OG1 2.73Å; G138-T140 PolarHBondContact O-N 3.36Å; T140-T192 HydrophobicContact CG2-CG2 4.22Å; T140-L193 WeakPolarHBondContact CA-O 3.25Å |
| 141 | L | 92.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 108.4 | 175.8 | 175.6 | 62.2 | 0 | 0 | 0 | 109.6 | L134 V136 L193 V196 V204 T225 | L134-L141 HydrophobicContact CB-CD1 4.05Å; L134-L141 HydrophobicContact CD2-CD1 4.38Å; V136-L141 HydrophobicContact CG2-CD1 4.13Å; L141-L193 HydrophobicContact CB-CB 4.25Å; L141-L193 HydrophobicContact CD2-CD1 4.19Å; L141-L193 PolarHBondContact N-O 3.26Å; L141-L193 PolarHBondContact O-N 2.89Å; L141-V196 HydrophobicContact CB-CG1 4.17Å; L141-V196 HydrophobicContact CB-CG2 4.23Å; L141-V204 HydrophobicContact CD2-CG2 4.31Å; L141-T225 HydrophobicContact CD1-CG2 3.45Å; L141-T225 VanDerWaalsContact CD1-CG2 3.45Å |
| 142 | D | 94.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132 | 176.2 | -64.4 | -33.8 | 0 | 0 | 0 | 110.2 | L134 G135 F144 L191 T192 | L134-D142 CarbonylContact C-O 3.48Å; L134-D142 WeakPolarHBondContact CA-O 3.26Å; G135-D142 PolarHBondContact N-O 2.93Å; G135-D142 PolarHBondContact O-N 3.17Å; D142-F144 HydrophobicContact CB-CD2 4.46Å; D142-F144 HydrophobicContact CB-CE2 3.63Å; D142-F144 HydrophobicContact CB-CZ 3.92Å; D142-L191 CarbonylContact C-O 3.43Å; D142-L191 WeakPolarHBondContact CA-O 3.43Å; D142-T192 VanDerWaalsContact OD1-CB 3.31Å; D142-T192 WeakPolarHBondContact OD1-CB 3.45Å; D142-T192 WeakPolarHBondContact OD1-CG2 3.4Å; D142-T192 PolarHBondContact OD1-OG1 3.1Å |
| 143 | I | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.2 | 177.8 | -47.1 | -174.9 | 0 | 0 | 0 | 108.1 | V132 L134 I145 I167 I190 L191 L193 V204 I206 | V132-I143 HydrophobicContact CG1-CG2 4.15Å; L134-I143 HydrophobicContact CD2-CB 4.26Å; L134-I143 HydrophobicContact CD2-CD1 4.46Å; L134-I143 HydrophobicContact CD2-CG1 3.87Å; L134-I143 HydrophobicContact CD2-CG2 4.03Å; I143-I145 HydrophobicContact CG2-CD1 4.42Å; I143-I145 HydrophobicContact CG2-CG1 3.98Å; I143-I167 HydrophobicContact CD1-CG2 4.23Å; I143-I190 WeakPolarHBondContact O-CA 3.41Å; I143-L191 HydrophobicContact CB-CD1 4.46Å; I143-L191 HydrophobicContact CB-CD2 3.91Å; I143-L191 HydrophobicContact CB-CG 3.9Å; I143-L191 HydrophobicContact CD1-CD1 4Å; I143-L191 HydrophobicContact CD1-CD2 4.33Å; I143-L191 HydrophobicContact CD1-CG 4.33Å; I143-L191 HydrophobicContact CG1-CD1 4.23Å; I143-L191 HydrophobicContact CG1-CD2 4.48Å; I143-L191 HydrophobicContact CG1-CG 4.22Å; I143-L191 HydrophobicContact CG2-CD2 4.38Å; I143-L191 PolarHBondContact N-O 3.19Å; I143-L191 PolarHBondContact O-N 2.98Å; I143-L191 VanDerWaalsContact O-N 3.11Å; I143-L193 HydrophobicContact CD1-CD1 3.83Å; I143-L193 HydrophobicContact CD1-CG 4.22Å; I143-V204 HydrophobicContact CD1-CG1 4.07Å; I143-V204 HydrophobicContact CD1-CG2 4.3Å; I143-I206 HydrophobicContact CG2-CD1 3.67Å |
| 144 | F | 97 | Very high | 92.4 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.1 | 176 | -54.6 | -91.6 | 0 | 0 | 0 | 109.3 | V132 R133 D142 I190 | V132-F144 CarbonylContact C-O 3.57Å; V132-F144 WeakPolarHBondContact CA-O 3.25Å; R133-F144 HydrophobicContact CB-CB 4.2Å; R133-F144 HydrophobicContact CB-CD2 4.44Å; R133-F144 PolarHBondContact N-O 3.37Å; R133-F144 PolarHBondContact O-N 2.86Å; D142-F144 HydrophobicContact CB-CD2 4.46Å; D142-F144 HydrophobicContact CB-CE2 3.63Å; D142-F144 HydrophobicContact CB-CZ 3.92Å; F144-I190 HydrophobicContact CD1-CD1 4.11Å; F144-I190 HydrophobicContact CD1-CG1 3.95Å; F144-I190 HydrophobicContact CD1-CG2 3.94Å; F144-I190 HydrophobicContact CE1-CD1 4.31Å; F144-I190 HydrophobicContact CE1-CG1 4.46Å; F144-I190 HydrophobicContact CE1-CG2 3.81Å |
| 145 | I | 97.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.2 | -175.7 | -52.9 | 174.4 | 0 | 0 | 0 | 107.8 | P129 I143 Y165 I167 T189 L191 I206 | P129-I145 HydrophobicContact CB-CG2 3.66Å; P129-I145 HydrophobicContact CG-CG2 3.84Å; I143-I145 HydrophobicContact CG2-CD1 4.42Å; I143-I145 HydrophobicContact CG2-CG1 3.98Å; I145-Y165 HydrophobicContact CD1-CD2 4.11Å; I145-Y165 HydrophobicContact CD1-CG 4.14Å; I145-Y165 HydrophobicContact CG2-CD1 4.1Å; I145-Y165 HydrophobicContact CG2-CD2 4.3Å; I145-Y165 HydrophobicContact CG2-CE1 3.88Å; I145-Y165 HydrophobicContact CG2-CE2 4.09Å; I145-Y165 HydrophobicContact CG2-CG 4.31Å; I145-I167 HydrophobicContact CD1-CD1 4.08Å; I145-T189 PolarHBondContact N-O 2.73Å; I145-T189 VanDerWaalsContact O-CB 3.32Å; I145-T189 WeakPolarHBondContact O-CB 3.31Å; I145-L191 HydrophobicContact CD1-CD2 4.22Å; I145-I206 HydrophobicContact CD1-CD1 3.84Å; I145-I206 HydrophobicContact CD1-CG2 4.29Å; I145-I206 HydrophobicContact CG1-CD1 3.83Å |
| 146 | T | 96.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.7 | 167.5 | -54.6 | 0 | 0 | 0 | 0 | 108.3 | P129 S130 K131 | P129-T146 CarbonylContact C-O 3.59Å; P129-T146 WeakPolarHBondContact CA-O 3.34Å; P129-T146 WeakPolarHBondContact CB-O 3.32Å; S130-T146 PolarHBondContact N-O 3.05Å; K131-T146 PolarHBondContact O-N 2.96Å |
| 147 | D | 97 | Very high | 92.7 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 152.3 | -178.9 | -59.1 | -21.6 | 0 | 0 | 0 | 112.3 | S130 Q149 S155 L163 Y165 T189 | S130-D147 WeakPolarHBondContact CB-O 3.46Å; S130-D147 PolarHBondContact OG-O 3.4Å; D147-Q149 PolarHBondContact O-N 2.93Å; D147-S155 WeakPolarHBondContact CB-OG 3.2Å; D147-S155 VanDerWaalsContact CG-OG 3.26Å; D147-S155 PolarHBondContact OD2-OG 2.84Å; D147-L163 HydrophobicContact CB-CD2 4.4Å; D147-Y165 VanDerWaalsContact CA-OH 3.29Å; D147-Y165 WeakPolarHBondContact CA-OH 3.37Å; D147-Y165 VanDerWaalsContact CG-OH 3.31Å; D147-Y165 PolarHBondContact OD1-OH 3.32Å; D147-T189 WeakPolarHBondContact OD1-CG2 3.49Å |
| 148 | P | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 136.8 | 167.1 | -20.2 | 32.3 | 0 | 0 | 0 | 109.5 | G127 S130 M156 L163 S208 | G127-P148 VanDerWaalsContact O-CG 3.28Å; G127-P148 WeakPolarHBondContact O-CG 3.21Å; S130-P148 WeakPolarHBondContact OG-CA 3.35Å; P148-M156 HydrophobicContact CB-CB 4.16Å; P148-M156 HydrophobicContact CB-CG 4Å; P148-M156 VanDerWaalsContact O-CB 3.31Å; P148-M156 WeakPolarHBondContact O-CB 3.37Å; P148-M156 VanDerWaalsContact O-CG 3.27Å; P148-M156 WeakPolarHBondContact O-CG 3.35Å; P148-M156 PolarHBondContact O-N 3.29Å; P148-L163 HydrophobicContact CG-CD2 4.43Å; P148-S208 WeakPolarHBondContact CG-OG 3.45Å |
| 149 | Q | 96.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -101.7 | 143.6 | -176.4 | -77.4 | 177.1 | -27.7 | 0 | 0 | 111.8 | N35 S130 D147 N153 N154 | N35-Q149 PolarHBondContact ND2-O 3.04Å; S130-Q149 WeakPolarHBondContact OG-CG 3.36Å; S130-Q149 PolarHBondContact OG-N 2.76Å; D147-Q149 PolarHBondContact O-N 2.93Å; Q149-N153 PolarHBondContact NE2-O 3.33Å; Q149-N154 CarbonylContact C-O 3.55Å; Q149-N154 WeakPolarHBondContact CA-O 3.14Å |
| 150 | N | 94.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | trans | -80.1 | 176.3 | 171.9 | 80.5 | 7.9 | 0 | 0 | 0 | 110.8 | T36 S152 N153 N154 M156 | T36-N150 HydrophobicContact CG2-CB 3.95Å; T36-N150 WeakPolarHBondContact OG1-CA 3.34Å; T36-N150 VanDerWaalsContact OG1-CB 3.25Å; T36-N150 WeakPolarHBondContact OG1-CB 3.45Å; N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å; N150-S152 WeakPolarHBondContact OD1-CA 3.43Å; N150-S152 WeakPolarHBondContact OD1-CB 3.33Å; N150-S152 PolarHBondContact OD1-N 3.32Å; N150-N153 PolarHBondContact O-N 2.74Å; N150-N153 PolarHBondContact OD1-N 3.33Å; N150-N154 PolarHBondContact N-O 3.48Å; N150-N154 PolarHBondContact OD1-N 2.97Å; N150-N154 PolarHBondContact OD1-O 2.79Å; N150-M156 HydrophobicContact CB-SD 3.6Å; N150-M156 VanDerWaalsContact CB-SD 3.6Å | ||
| 151 | S | 93.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 54 Ų | 54 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.4 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | T36 N37 | T36-S151 PolarHBondContact OG1-N 2.79Å; T36-S151 PolarHBondContact OG1-OG 2.54Å; N37-S151 WeakPolarHBondContact OD1-CB 3.3Å |
| 152 | S | 92.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 57% | 0.566 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 12.8 | 174.4 | -59.2 | 0 | 0 | 0 | 0 | 113 | N150 N154 | N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å; N150-S152 WeakPolarHBondContact OD1-CA 3.43Å; N150-S152 WeakPolarHBondContact OD1-CB 3.33Å; N150-S152 PolarHBondContact OD1-N 3.32Å; S152-N154 VanDerWaalsContact C-N 3.26Å; S152-N154 PolarHBondContact O-N 2.81Å |
| 153 | N | 93.1 | Very high | 94.2 | Very high | 118 Ų | 118 | 57.8 Ų | 57.8 | 63% | 0.631 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 64.9 | 16.1 | -177.3 | -56.1 | -48 | 0 | 0 | 0 | 116 | Q149 N150 | Q149-N153 PolarHBondContact NE2-O 3.33Å; N150-N153 PolarHBondContact O-N 2.74Å; N150-N153 PolarHBondContact OD1-N 3.33Å |
| 154 | N | 93.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | trans | -88.9 | 159.5 | 172.6 | -59.4 | -26.9 | 0 | 0 | 0 | 110.8 | Q149 N150 S152 | Q149-N154 CarbonylContact C-O 3.55Å; Q149-N154 WeakPolarHBondContact CA-O 3.14Å; N150-N154 PolarHBondContact N-O 3.48Å; N150-N154 PolarHBondContact OD1-N 2.97Å; N150-N154 PolarHBondContact OD1-O 2.79Å; S152-N154 VanDerWaalsContact C-N 3.26Å; S152-N154 PolarHBondContact O-N 2.81Å | ||
| 155 | S | 95.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 55.9 Ų | 55.9 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 135 | 179.4 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | D147 K157 E158 | D147-S155 WeakPolarHBondContact CB-OG 3.2Å; D147-S155 VanDerWaalsContact CG-OG 3.26Å; D147-S155 PolarHBondContact OD2-OG 2.84Å; S155-K157 PolarHBondContact O-N 3Å; S155-K157 WeakPolarHBondContact OG-CB 3.29Å; S155-K157 PolarHBondContact OG-N 3.25Å; S155-E158 PolarHBondContact O-N 3.03Å |
| 156 | M | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -66.3 | -16.4 | 169.7 | -72.8 | -60.4 | -59.9 | 0 | 0 | 112.7 | N35 T36 Y94 P148 N150 E158 Q159 L160 | N35-M156 HydrophobicContact CB-CE 4.21Å; N35-M156 HydrophobicContact CB-CG 4.03Å; N35-M156 HydrophobicContact CB-SD 3.66Å; T36-M156 HydrophobicContact CG2-CE 4.37Å; T36-M156 HydrophobicContact CG2-SD 4.05Å; Y94-M156 HydrophobicContact CE2-CE 3.88Å; P148-M156 HydrophobicContact CB-CB 4.16Å; P148-M156 HydrophobicContact CB-CG 4Å; P148-M156 VanDerWaalsContact O-CB 3.31Å; P148-M156 WeakPolarHBondContact O-CB 3.37Å; P148-M156 VanDerWaalsContact O-CG 3.27Å; P148-M156 WeakPolarHBondContact O-CG 3.35Å; P148-M156 PolarHBondContact O-N 3.29Å; N150-M156 HydrophobicContact CB-SD 3.6Å; N150-M156 VanDerWaalsContact CB-SD 3.6Å; M156-E158 PolarHBondContact O-N 3.06Å; M156-Q159 HydrophobicContact CE-CB 4.37Å; M156-Q159 PolarHBondContact O-N 3.18Å; M156-Q159 PolarHBondContact SD-OE1 3.29Å; M156-L160 HydrophobicContact CB-CD1 4.05Å; M156-L160 HydrophobicContact CE-CG 4.47Å; M156-L160 WeakPolarHBondContact O-CG 3.27Å; M156-L160 PolarHBondContact O-N 3.33Å; M156-L160 VanDerWaalsContact O-N 3.08Å |
| 157 | K | 93.1 | Very high | 94.2 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -59.1 | -28.8 | 177.1 | -167.9 | 166.8 | -177.5 | 166.8 | 0 | 112.6 | S155 Q159 L163 D187 | S155-K157 PolarHBondContact O-N 3Å; S155-K157 WeakPolarHBondContact OG-CB 3.29Å; S155-K157 PolarHBondContact OG-N 3.25Å; K157-Q159 VanDerWaalsContact C-N 3.34Å; K157-L163 HydrophobicContact CB-CB 4.49Å; K157-L163 HydrophobicContact CB-CD2 3.97Å; K157-L163 HydrophobicContact CG-CB 4.3Å; K157-L163 HydrophobicContact CG-CD2 4.48Å; K157-D187 PolarHBondContact NZ-O 2.55Å; K157-D187 VanDerWaalsContact NZ-O 3.11Å |
| 158 | E | 91 | Very high | 94.2 | Very high | 159 Ų | 159 | 53.3 Ų | 53.3 | 74% | 0.743 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -76.5 | -21.5 | 177.9 | -63.6 | 177.6 | -176.5 | 0 | 0 | 113.4 | S155 M156 | S155-E158 PolarHBondContact O-N 3.03Å; M156-E158 PolarHBondContact O-N 3.06Å |
| 159 | Q | 91.1 | Very high | 94 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -27.1 | -176.8 | -64.5 | -174 | -37.5 | 0 | 0 | 112.6 | Y94 M156 K157 | Y94-Q159 HydrophobicContact CD1-CB 3.93Å; Y94-Q159 VanDerWaalsContact CD1-O 3.22Å; Y94-Q159 WeakPolarHBondContact CD1-O 3.35Å; Y94-Q159 HydrophobicContact CD2-CB 4.4Å; Y94-Q159 HydrophobicContact CE1-CB 4.29Å; Y94-Q159 WeakPolarHBondContact CE1-O 3.3Å; Y94-Q159 HydrophobicContact CG-CB 3.99Å; M156-Q159 HydrophobicContact CE-CB 4.37Å; M156-Q159 PolarHBondContact O-N 3.18Å; M156-Q159 PolarHBondContact SD-OE1 3.29Å; K157-Q159 VanDerWaalsContact C-N 3.34Å |
| 160 | L | 91.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -89.5 | 154.8 | -179.2 | -65.4 | 167.2 | 0 | 0 | 0 | 111.4 | Y94 I126 M156 L163 | Y94-L160 HydrophobicContact CE1-CD2 4.03Å; Y94-L160 VanDerWaalsContact OH-CD2 3.25Å; Y94-L160 WeakPolarHBondContact OH-CD2 3.2Å; I126-L160 HydrophobicContact CD1-CD1 3.4Å; I126-L160 HydrophobicContact CG1-CD1 4.22Å; M156-L160 HydrophobicContact CB-CD1 4.05Å; M156-L160 HydrophobicContact CE-CG 4.47Å; M156-L160 WeakPolarHBondContact O-CG 3.27Å; M156-L160 PolarHBondContact O-N 3.33Å; M156-L160 VanDerWaalsContact O-N 3.08Å; L160-L163 HydrophobicContact CD1-CB 4.16Å; L160-L163 HydrophobicContact CD1-CD1 4.05Å; L160-L163 HydrophobicContact CD1-CD2 4.48Å; L160-L163 HydrophobicContact CD1-CG 4.47Å |
| 161 | H | 88.9 | Confident | 93.6 | Very high | 148 Ų | 148 | 56.2 Ų | 56.2 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -70.8 | -49.4 | 177.4 | -177.9 | -82.1 | 0 | 0 | 0 | 111.6 | F212 | H161-F212 HydrophobicContact CB-CB 4.26Š|
| 162 | K | 91.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 47% | 0.47 | 28% | 0.281 | S | S | . | . | trans | -149.3 | 89.6 | 179.5 | -170.2 | -175.9 | 178.9 | -170.1 | 0 | 111 | D210 | K162-D210 PolarHBondContact N-OD1 2.76Š| ||
| 163 | L | 95.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.7 | 170.8 | 179.9 | 60.8 | 0 | 0 | 0 | 111 | I126 D147 P148 K157 L160 Y165 | I126-L163 HydrophobicContact CD1-CD1 3.5Å; D147-L163 HydrophobicContact CB-CD2 4.4Å; P148-L163 HydrophobicContact CG-CD2 4.43Å; K157-L163 HydrophobicContact CB-CB 4.49Å; K157-L163 HydrophobicContact CB-CD2 3.97Å; K157-L163 HydrophobicContact CG-CB 4.3Å; K157-L163 HydrophobicContact CG-CD2 4.48Å; L160-L163 HydrophobicContact CD1-CB 4.16Å; L160-L163 HydrophobicContact CD1-CD1 4.05Å; L160-L163 HydrophobicContact CD1-CD2 4.48Å; L160-L163 HydrophobicContact CD1-CG 4.47Å; L163-Y165 WeakPolarHBondContact CD2-OH 3.18Å |
| 164 | Y | 96.6 | Very high | 91.1 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 171.3 | 168.9 | 67.5 | -84.6 | 0 | 0 | 0 | 110.8 | T185 T186 R209 D211 | Y164-T185 HydrophobicContact CE2-CG2 4.39Å; Y164-T186 CarbonylContact C-O 3.45Å; Y164-T186 WeakPolarHBondContact CB-O 3.37Å; Y164-R209 HydrophobicContact CD1-CB 4.1Å; Y164-R209 HydrophobicContact CD2-CB 3.82Å; Y164-R209 HydrophobicContact CD2-CG 4.46Å; Y164-R209 HydrophobicContact CE1-CB 3.67Å; Y164-R209 HydrophobicContact CE2-CB 3.36Å; Y164-R209 HydrophobicContact CE2-CG 3.82Å; Y164-R209 HydrophobicContact CG-CB 4.17Å; Y164-R209 PolarHBondContact N-O 2.74Å; Y164-R209 PolarHBondContact O-N 3.2Å; Y164-D211 VanDerWaalsContact CE1-CG 3.49Å; Y164-D211 VanDerWaalsContact CE1-OD1 3.26Å; Y164-D211 WeakPolarHBondContact CE1-OD1 3.31Å; Y164-D211 WeakPolarHBondContact CE1-OD2 3.11Å; Y164-D211 VanDerWaalsContact CZ-OD1 3.28Å; Y164-D211 PolarHBondContact OH-OD1 3Å |
| 165 | Y | 97.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.1 | -173.9 | -56.6 | -69.5 | 0 | 0 | 0 | 110.2 | P129 I145 D147 L163 T185 T186 T189 I206 R207 S208 | P129-Y165 HydrophobicContact CG-CD1 3.82Å; P129-Y165 HydrophobicContact CG-CE1 3.82Å; I145-Y165 HydrophobicContact CD1-CD2 4.11Å; I145-Y165 HydrophobicContact CD1-CG 4.14Å; I145-Y165 HydrophobicContact CG2-CD1 4.1Å; I145-Y165 HydrophobicContact CG2-CD2 4.3Å; I145-Y165 HydrophobicContact CG2-CE1 3.88Å; I145-Y165 HydrophobicContact CG2-CE2 4.09Å; I145-Y165 HydrophobicContact CG2-CG 4.31Å; D147-Y165 VanDerWaalsContact CA-OH 3.29Å; D147-Y165 WeakPolarHBondContact CA-OH 3.37Å; D147-Y165 VanDerWaalsContact CG-OH 3.31Å; D147-Y165 PolarHBondContact OD1-OH 3.32Å; L163-Y165 WeakPolarHBondContact CD2-OH 3.18Å; Y165-T185 CarbonylContact O-C 3.57Å; Y165-T185 WeakPolarHBondContact O-CA 3.38Å; Y165-T186 PolarHBondContact N-O 3.26Å; Y165-T186 PolarHBondContact O-N 2.96Å; Y165-T189 HydrophobicContact CE2-CG2 4.42Å; Y165-I206 HydrophobicContact CD1-CG2 4.25Å; Y165-I206 HydrophobicContact CG-CG2 4.42Å; Y165-R207 WeakPolarHBondContact CA-O 3.32Å; Y165-S208 VanDerWaalsContact CE1-OG 3.32Å; Y165-S208 WeakPolarHBondContact CE1-OG 3.45Å |
| 166 | E | 97.4 | Very high | 88.2 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.8 | 166.9 | -175.4 | -177.1 | 164.6 | 0 | 0 | 107.7 | T183 T185 I206 R207 R209 | E166-T183 HydrophobicContact CG-CG2 3.91Å; E166-T185 HydrophobicContact CB-CG2 4.42Å; E166-T185 HydrophobicContact CG-CG2 4.37Å; E166-I206 WeakPolarHBondContact O-CA 3.44Å; E166-R207 HydrophobicContact CB-CG 3.94Å; E166-R207 VanDerWaalsContact CD-NE 3.34Å; E166-R207 PolarHBondContact N-O 2.81Å; E166-R207 PolarHBondContact O-N 3.21Å; E166-R207 IonicContact OE1-CZ 3.63Å; E166-R207 IonicContact OE1-NE 3.72Å; E166-R207 IonicContact OE1-NH2 2.75Å; E166-R207 PolarHBondContact OE1-NH2 3.18Å; E166-R207 IonicContact OE2-CZ 3.08Å; E166-R207 IonicContact OE2-NE 2.67Å; E166-R207 PolarHBondContact OE2-NE 2.62Å; E166-R207 IonicContact OE2-NH2 2.78Å; E166-R207 PolarHBondContact OE2-NH2 2.89Å; E166-R209 HydrophobicContact CB-CG 4.28Å; E166-R209 IonicContact OE2-CZ 3.54Å; E166-R209 IonicContact OE2-NE 3.03Å; E166-R209 PolarHBondContact OE2-NE 3.11Å; E166-R209 IonicContact OE2-NH2 3.17Å; E166-R209 PolarHBondContact OE2-NH2 2.76Å |
| 167 | I | 96.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.9 | -174.6 | -59.1 | 166.7 | 0 | 0 | 0 | 107.1 | I143 I145 Y169 T183 M184 T186 L191 V204 I206 | I143-I167 HydrophobicContact CD1-CG2 4.23Å; I145-I167 HydrophobicContact CD1-CD1 4.08Å; I167-Y169 HydrophobicContact CG2-CD1 4.46Å; I167-T183 CarbonylContact O-C 3.47Å; I167-T183 VanDerWaalsContact O-CA 3.31Å; I167-T183 WeakPolarHBondContact O-CA 3.25Å; I167-M184 PolarHBondContact N-O 3.18Å; I167-M184 PolarHBondContact O-N 2.8Å; I167-T186 HydrophobicContact CD1-CG2 3.6Å; I167-L191 HydrophobicContact CD1-CD2 3.18Å; I167-L191 HydrophobicContact CD1-CG 4.46Å; I167-V204 HydrophobicContact CG2-CG1 3.72Å; I167-I206 HydrophobicContact CG1-CD1 4.25Å; I167-I206 HydrophobicContact CG1-CG1 4.11Å; I167-I206 HydrophobicContact CG1-CG2 3.94Å; I167-I206 HydrophobicContact CG2-CG1 4.29Å |
| 168 | V | 95.3 | Very high | 85.1 | Confident | 8 Ų | 8 | 73 Ų | 73 | 5% | 0.048 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.1 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | W170 L181 M182 T183 V204 Q205 F219 | V168-W170 HydrophobicContact CG1-CE3 4.13Å; V168-W170 HydrophobicContact CG1-CZ3 4.13Å; V168-L181 HydrophobicContact CG1-CD1 4.32Å; V168-L181 HydrophobicContact CG1-CD2 3.28Å; V168-L181 HydrophobicContact CG1-CG 3.59Å; V168-M182 CarbonylContact C-O 3.6Å; V168-M182 WeakPolarHBondContact CA-O 3.28Å; V168-T183 HydrophobicContact CG2-CG2 4.17Å; V168-V204 CarbonylContact O-C 3.55Å; V168-V204 WeakPolarHBondContact O-CA 3.32Å; V168-Q205 PolarHBondContact N-O 3.3Å; V168-Q205 PolarHBondContact O-N 3.01Å; V168-F219 HydrophobicContact CB-CE1 4.33Å; V168-F219 HydrophobicContact CG2-CE1 3.7Å; V168-F219 HydrophobicContact CG2-CZ 3.87Å |
| 169 | Y | 93.3 | Very high | 84.4 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.9 | 178 | 68.1 | -83.3 | 0 | 0 | 0 | 110.9 | I167 M182 L193 C203 | I167-Y169 HydrophobicContact CG2-CD1 4.46Å; Y169-M182 HydrophobicContact CD1-CB 3.89Å; Y169-M182 HydrophobicContact CD2-CB 4Å; Y169-M182 HydrophobicContact CD2-CG 4.46Å; Y169-M182 HydrophobicContact CD2-SD 4.31Å; Y169-M182 HydrophobicContact CE1-CB 3.43Å; Y169-M182 VanDerWaalsContact CE1-CB 3.43Å; Y169-M182 HydrophobicContact CE1-CG 4.47Å; Y169-M182 HydrophobicContact CE2-CB 3.55Å; Y169-M182 HydrophobicContact CE2-CG 3.79Å; Y169-M182 HydrophobicContact CE2-SD 4.02Å; Y169-M182 HydrophobicContact CG-CB 4.16Å; Y169-M182 PolarHBondContact N-O 2.86Å; Y169-M182 PolarHBondContact O-N 2.98Å; Y169-L193 HydrophobicContact CD1-CD1 4.2Å; Y169-L193 HydrophobicContact CD2-CD1 4.21Å; Y169-L193 HydrophobicContact CE1-CD1 4.27Å; Y169-L193 HydrophobicContact CE1-CD2 4.47Å; Y169-L193 HydrophobicContact CE2-CD1 4.28Å; Y169-L193 HydrophobicContact CG-CD1 4.17Å; Y169-C203 WeakPolarHBondContact CA-O 3.36Å; Y169-C203 WeakPolarHBondContact CB-O 3.45Å |
| 170 | W | 92.3 | Very high | 83.9 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 153 | 179.4 | 62.9 | 97.9 | 0 | 0 | 0 | 110 | V168 S179 L181 Y202 C203 Q205 P222 | V168-W170 HydrophobicContact CG1-CE3 4.13Å; V168-W170 HydrophobicContact CG1-CZ3 4.13Å; W170-S179 VanDerWaalsContact CD1-OG 3.31Å; W170-L181 HydrophobicContact CB-CD1 4.26Å; W170-L181 HydrophobicContact CD2-CD1 4.24Å; W170-L181 HydrophobicContact CE3-CD1 4.07Å; W170-L181 HydrophobicContact CG-CD1 4.34Å; W170-Y202 WeakPolarHBondContact O-CA 3.33Å; W170-C203 HydrophobicContact CD2-CB 4.1Å; W170-C203 HydrophobicContact CH2-CB 4.18Å; W170-C203 HydrophobicContact CZ2-CB 3.57Å; W170-C203 PolarHBondContact N-O 3.17Å; W170-C203 PolarHBondContact O-N 2.78Å; W170-Q205 HydrophobicContact CH2-CG 3.72Å; W170-Q205 HydrophobicContact CZ3-CB 4.27Å; W170-Q205 HydrophobicContact CZ3-CG 3.97Å; W170-P222 HydrophobicContact CH2-CB 4.04Å; W170-P222 HydrophobicContact CZ2-CB 4.24Å |
| 171 | E | 90.8 | Very high | 83.8 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 135.1 | 166.7 | 169.6 | 173.3 | -163.9 | 0 | 0 | 109.4 | P173 S179 T200 R201 Y202 | E171-P173 WeakPolarHBondContact O-CD 3.31Å; E171-S179 WeakPolarHBondContact O-CB 3.05Å; E171-S179 PolarHBondContact O-OG 3.1Å; E171-T200 HydrophobicContact CB-CG2 4.13Å; E171-T200 HydrophobicContact CG-CG2 3.38Å; E171-T200 WeakPolarHBondContact OE1-CG2 3.31Å; E171-R201 CarbonylContact C-O 3.56Å; E171-Y202 HydrophobicContact CB-CD1 4.29Å; E171-Y202 HydrophobicContact CB-CE1 3.93Å |
| 172 | Q | 84.4 | Confident | 83.9 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | trans | -92.8 | 106.7 | 171.5 | -172.7 | 174.4 | 3.5 | 0 | 0 | 108.5 | R201 C203 | Q172-R201 HydrophobicContact CB-CB 4.34Å; Q172-R201 HydrophobicContact CB-CG 4.24Å; Q172-R201 PolarHBondContact N-O 2.91Å; Q172-C203 PolarHBondContact OE1-SG 3.08Å | ||
| 173 | P | 75 | Confident | 84 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 31% | 0.305 | 39% | 0.388 | S | S | . | . | trans | -76.8 | 145.8 | -176.4 | 20.8 | -12.9 | 0 | 0 | 0 | 110.8 | E171 D175 K177 | E171-P173 WeakPolarHBondContact O-CD 3.31Å; P173-D175 VanDerWaalsContact C-N 3.33Å; P173-K177 WeakPolarHBondContact CG-O 3.48Å | ||
| 174 | E | 67.9 | Low | 84 | Confident | 198 Ų | 198 | 74.3 Ų | 74.3 | 93% | 0.925 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -32.6 | 173 | -72.1 | -164.9 | 148.3 | 0 | 0 | 112.1 | ||
| 175 | D | 68.4 | Low | 84 | Confident | 155 Ų | 155 | 76.6 Ų | 76.6 | 83% | 0.829 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 12.6 | -171.1 | -63.5 | -39.5 | 0 | 0 | 0 | 114.8 | P173 K177 | P173-D175 VanDerWaalsContact C-N 3.33Å; D175-K177 PolarHBondContact O-N 2.83Å |
| 176 | G | 59.5 | Low | 83.9 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | trans | 66.1 | 5.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 177 | K | 62 | Low | 83.7 | Confident | 175 Ų | 175 | 80.1 Ų | 80.1 | 76% | 0.761 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 127.7 | 173.9 | -155.3 | 175.6 | -173.9 | -177.8 | 0 | 108.9 | P173 D175 S179 | P173-K177 WeakPolarHBondContact CG-O 3.48Å; D175-K177 PolarHBondContact O-N 2.83Å; K177-S179 PolarHBondContact O-N 2.79Å |
| 178 | G | 60.7 | Low | 83.6 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 81% | 0.814 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 128 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 179 | S | 75.4 | Confident | 83.5 | Confident | 44 Ų | 44 | 85.3 Ų | 85.3 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 139.8 | 176.8 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | W170 E171 K177 L181 | W170-S179 VanDerWaalsContact CD1-OG 3.31Å; E171-S179 WeakPolarHBondContact O-CB 3.05Å; E171-S179 PolarHBondContact O-OG 3.1Å; K177-S179 PolarHBondContact O-N 2.79Å; S179-L181 PolarHBondContact O-N 3.48Å |
| 180 | M | 82 | Confident | 83.6 | Confident | 148 Ų | 148 | 87.9 Ų | 87.9 | 73% | 0.729 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 128.8 | 170.2 | -174.4 | 168.2 | 176.3 | 0 | 0 | 109.1 | M182 | M180-M182 HydrophobicContact CB-CE 4.13Å; M180-M182 HydrophobicContact CG-CE 4.27Å |
| 181 | L | 89.1 | Confident | 83.7 | Confident | 102 Ų | 102 | 86.7 Ų | 86.7 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.9 | 176 | -137.4 | 92.7 | 0 | 0 | 0 | 108.6 | V168 W170 S179 | V168-L181 HydrophobicContact CG1-CD1 4.32Å; V168-L181 HydrophobicContact CG1-CD2 3.28Å; V168-L181 HydrophobicContact CG1-CG 3.59Å; W170-L181 HydrophobicContact CB-CD1 4.26Å; W170-L181 HydrophobicContact CD2-CD1 4.24Å; W170-L181 HydrophobicContact CE3-CD1 4.07Å; W170-L181 HydrophobicContact CG-CD1 4.34Å; S179-L181 PolarHBondContact O-N 3.48Å |
| 182 | M | 91.1 | Very high | 83.8 | Confident | 59 Ų | 59 | 86.7 Ų | 86.7 | 29% | 0.291 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.4 | 173.8 | -62.5 | 84.4 | 171.7 | 0 | 0 | 109.4 | V168 Y169 M180 | V168-M182 CarbonylContact C-O 3.6Å; V168-M182 WeakPolarHBondContact CA-O 3.28Å; Y169-M182 HydrophobicContact CD1-CB 3.89Å; Y169-M182 HydrophobicContact CD2-CB 4Å; Y169-M182 HydrophobicContact CD2-CG 4.46Å; Y169-M182 HydrophobicContact CD2-SD 4.31Å; Y169-M182 HydrophobicContact CE1-CB 3.43Å; Y169-M182 VanDerWaalsContact CE1-CB 3.43Å; Y169-M182 HydrophobicContact CE1-CG 4.47Å; Y169-M182 HydrophobicContact CE2-CB 3.55Å; Y169-M182 HydrophobicContact CE2-CG 3.79Å; Y169-M182 HydrophobicContact CE2-SD 4.02Å; Y169-M182 HydrophobicContact CG-CB 4.16Å; Y169-M182 PolarHBondContact N-O 2.86Å; Y169-M182 PolarHBondContact O-N 2.98Å; M180-M182 HydrophobicContact CB-CE 4.13Å; M180-M182 HydrophobicContact CG-CE 4.27Å |
| 183 | T | 94.4 | Very high | 84 | Confident | 83 Ų | 83 | 83.6 Ų | 83.6 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.1 | 179.3 | -55 | 0 | 0 | 0 | 0 | 110.2 | E166 I167 V168 | E166-T183 HydrophobicContact CG-CG2 3.91Å; I167-T183 CarbonylContact O-C 3.47Å; I167-T183 VanDerWaalsContact O-CA 3.31Å; I167-T183 WeakPolarHBondContact O-CA 3.25Å; V168-T183 HydrophobicContact CG2-CG2 4.17Å |
| 184 | M | 94.6 | Very high | 84.5 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 41% | 0.409 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.3 | 176.1 | -178.7 | -176 | 173.9 | 0 | 0 | 110 | I167 | I167-M184 PolarHBondContact N-O 3.18Å; I167-M184 PolarHBondContact O-N 2.8Å |
| 185 | T | 96.2 | Very high | 84.9 | Confident | 87 Ų | 87 | 84.9 Ų | 84.9 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.7 | 170.6 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | Y164 Y165 E166 | Y164-T185 HydrophobicContact CE2-CG2 4.39Å; Y165-T185 CarbonylContact O-C 3.57Å; Y165-T185 WeakPolarHBondContact O-CA 3.38Å; E166-T185 HydrophobicContact CB-CG2 4.42Å; E166-T185 HydrophobicContact CG-CG2 4.37Å |
| 186 | T | 95.3 | Very high | 85.7 | Confident | 15 Ų | 15 | 78 Ų | 78 | 9% | 0.092 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 146.9 | 178.1 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | Y164 Y165 I167 V188 L191 | Y164-T186 CarbonylContact C-O 3.45Å; Y164-T186 WeakPolarHBondContact CB-O 3.37Å; Y165-T186 PolarHBondContact N-O 3.26Å; Y165-T186 PolarHBondContact O-N 2.96Å; I167-T186 HydrophobicContact CD1-CG2 3.6Å; T186-V188 WeakPolarHBondContact OG1-CG2 2.77Å; T186-V188 PolarHBondContact OG1-N 2.86Å; T186-L191 HydrophobicContact CG2-CD2 4.01Å |
| 187 | D | 93.3 | Very high | 86.9 | Confident | 90 Ų | 90 | 79.8 Ų | 79.8 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -102.9 | -1.7 | 173.9 | 63.6 | -22.5 | 0 | 0 | 0 | 113.3 | K157 | K157-D187 PolarHBondContact NZ-O 2.55Å; K157-D187 VanDerWaalsContact NZ-O 3.11Å |
| 188 | V | 94.4 | Very high | 88 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -93.9 | 154.3 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | T186 I190 | T186-V188 WeakPolarHBondContact OG1-CG2 2.77Å; T186-V188 PolarHBondContact OG1-N 2.86Å; V188-I190 WeakPolarHBondContact CG2-O 3.15Å |
| 189 | T | 94.4 | Very high | 89.1 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -92 | -14 | -177.4 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | I145 D147 Y165 | I145-T189 PolarHBondContact N-O 2.73Å; I145-T189 VanDerWaalsContact O-CB 3.32Å; I145-T189 WeakPolarHBondContact O-CB 3.31Å; D147-T189 WeakPolarHBondContact OD1-CG2 3.49Å; Y165-T189 HydrophobicContact CE2-CG2 4.42Å |
| 190 | I | 94.6 | Very high | 89.7 | Confident | 99 Ų | 99 | 76.3 Ų | 76.3 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.8 | 178.1 | -53.7 | 178.4 | 0 | 0 | 0 | 107 | I143 F144 V188 | I143-I190 WeakPolarHBondContact O-CA 3.41Å; F144-I190 HydrophobicContact CD1-CD1 4.11Å; F144-I190 HydrophobicContact CD1-CG1 3.95Å; F144-I190 HydrophobicContact CD1-CG2 3.94Å; F144-I190 HydrophobicContact CE1-CD1 4.31Å; F144-I190 HydrophobicContact CE1-CG1 4.46Å; F144-I190 HydrophobicContact CE1-CG2 3.81Å; V188-I190 WeakPolarHBondContact CG2-O 3.15Å |
| 191 | L | 93.9 | Very high | 90.1 | Very high | 16 Ų | 16 | 75.5 Ų | 75.5 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 157.2 | 173.9 | 75.8 | 112.6 | 0 | 0 | 0 | 110.6 | D142 I143 I145 I167 T186 L193 | D142-L191 CarbonylContact C-O 3.43Å; D142-L191 WeakPolarHBondContact CA-O 3.43Å; I143-L191 HydrophobicContact CB-CD1 4.46Å; I143-L191 HydrophobicContact CB-CD2 3.91Å; I143-L191 HydrophobicContact CB-CG 3.9Å; I143-L191 HydrophobicContact CD1-CD1 4Å; I143-L191 HydrophobicContact CD1-CD2 4.33Å; I143-L191 HydrophobicContact CD1-CG 4.33Å; I143-L191 HydrophobicContact CG1-CD1 4.23Å; I143-L191 HydrophobicContact CG1-CD2 4.48Å; I143-L191 HydrophobicContact CG1-CG 4.22Å; I143-L191 HydrophobicContact CG2-CD2 4.38Å; I143-L191 PolarHBondContact N-O 3.19Å; I143-L191 PolarHBondContact O-N 2.98Å; I143-L191 VanDerWaalsContact O-N 3.11Å; I145-L191 HydrophobicContact CD1-CD2 4.22Å; I167-L191 HydrophobicContact CD1-CD2 3.18Å; I167-L191 HydrophobicContact CD1-CG 4.46Å; T186-L191 HydrophobicContact CG2-CD2 4.01Å; L191-L193 HydrophobicContact CD1-CD2 3.46Å; L191-L193 VanDerWaalsContact CD1-CD2 3.46Å; L191-L193 HydrophobicContact CD1-CG 3.79Å |
| 192 | T | 92.7 | Very high | 90.2 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.4 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | T140 D142 | T140-T192 HydrophobicContact CG2-CG2 4.22Å; D142-T192 VanDerWaalsContact OD1-CB 3.31Å; D142-T192 WeakPolarHBondContact OD1-CB 3.45Å; D142-T192 WeakPolarHBondContact OD1-CG2 3.4Å; D142-T192 PolarHBondContact OD1-OG1 3.1Å |
| 193 | L | 90.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 109.9 | 170 | -58 | -179.6 | 0 | 0 | 0 | 108.2 | T140 L141 I143 Y169 L191 V196 | T140-L193 WeakPolarHBondContact CA-O 3.25Å; L141-L193 HydrophobicContact CB-CB 4.25Å; L141-L193 HydrophobicContact CD2-CD1 4.19Å; L141-L193 PolarHBondContact N-O 3.26Å; L141-L193 PolarHBondContact O-N 2.89Å; I143-L193 HydrophobicContact CD1-CD1 3.83Å; I143-L193 HydrophobicContact CD1-CG 4.22Å; Y169-L193 HydrophobicContact CD1-CD1 4.2Å; Y169-L193 HydrophobicContact CD2-CD1 4.21Å; Y169-L193 HydrophobicContact CE1-CD1 4.27Å; Y169-L193 HydrophobicContact CE1-CD2 4.47Å; Y169-L193 HydrophobicContact CE2-CD1 4.28Å; Y169-L193 HydrophobicContact CG-CD1 4.17Å; L191-L193 HydrophobicContact CD1-CD2 3.46Å; L191-L193 VanDerWaalsContact CD1-CD2 3.46Å; L191-L193 HydrophobicContact CD1-CG 3.79Å; L193-V196 HydrophobicContact CB-CG1 4.02Å |
| 194 | S | 83.6 | Confident | 90.3 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 59% | 0.587 | 34% | 0.335 | S | S | * | . | trans | -91.4 | -15.5 | -176.2 | -54.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 195 | E | 77.6 | Confident | 90.4 | Very high | 188 Ų | 188 | 63.1 Ų | 63.1 | 88% | 0.879 | 33% | 0.326 | S | S | * | . | trans | -102.8 | 46.6 | -176.1 | -62.9 | -178.3 | -179.5 | 0 | 0 | 111.3 | ||||
| 196 | V | 84.8 | Confident | 90.5 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | trans | -104.6 | 139.5 | 177.6 | -65.1 | 0 | 0 | 0 | 0 | 111 | S139 L141 L193 Y202 T227 | S139-V196 WeakPolarHBondContact O-CG2 3.42Å; L141-V196 HydrophobicContact CB-CG1 4.17Å; L141-V196 HydrophobicContact CB-CG2 4.23Å; L193-V196 HydrophobicContact CB-CG1 4.02Å; V196-Y202 HydrophobicContact CB-CD2 4.36Å; V196-Y202 HydrophobicContact CB-CE2 3.77Å; V196-Y202 HydrophobicContact CG1-CE2 4.22Å; V196-T227 HydrophobicContact CB-CG2 4.18Å; V196-T227 HydrophobicContact CG2-CG2 3.88Å | ||
| 197 | E | 84.2 | Confident | 90.6 | Very high | 107 Ų | 107 | 60.6 Ų | 60.6 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | trans | -71.2 | 144.5 | 179.6 | -66.9 | -166.1 | 163.8 | 0 | 0 | 111.4 | T200 Y202 T227 | E197-T200 WeakPolarHBondContact CB-OG1 3.05Å; E197-Y202 WeakPolarHBondContact CB-OH 3.04Å; E197-Y202 PolarHBondContact N-OH 2.99Å; E197-T227 WeakPolarHBondContact O-CB 3.39Å; E197-T227 PolarHBondContact O-OG1 2.57Å | ||
| 198 | P | 85.4 | Confident | 90.8 | Very high | 69 Ų | 69 | 56.3 Ų | 56.3 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 144.4 | 177.3 | 29.7 | -33.5 | 0 | 0 | 0 | 111.6 | T200 G229 | P198-T200 PolarHBondContact O-N 2.86Å; P198-T200 PolarHBondContact O-OG1 3.45Å; P198-G229 VanDerWaalsContact CB-CA 3.49Å |
| 199 | W | 83.9 | Confident | 90.9 | Very high | 140 Ų | 140 | 55 Ų | 55 | 53% | 0.53 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 13.5 | 179.6 | -53.6 | 102.5 | 0 | 0 | 0 | 115.3 | Q226 T227 G229 V231 | W199-Q226 PolarHBondContact O-NE2 2.85Å; W199-T227 WeakPolarHBondContact CA-O 3.29Å; W199-T227 PolarHBondContact N-O 3.16Å; W199-T227 PolarHBondContact N-OG1 2.8Å; W199-G229 VanDerWaalsContact CE2-O 3.25Å; W199-G229 WeakPolarHBondContact CZ2-O 3.45Å; W199-G229 PolarHBondContact NE1-O 2.83Å; W199-V231 HydrophobicContact CZ2-CG2 4.04Å |
| 200 | T | 87.3 | Confident | 90.9 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | trans | -101.5 | 139.8 | -174.3 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | E171 E197 P198 Y202 T227 | E171-T200 HydrophobicContact CB-CG2 4.13Å; E171-T200 HydrophobicContact CG-CG2 3.38Å; E171-T200 WeakPolarHBondContact OE1-CG2 3.31Å; E197-T200 WeakPolarHBondContact CB-OG1 3.05Å; P198-T200 PolarHBondContact O-N 2.86Å; P198-T200 PolarHBondContact O-OG1 3.45Å; T200-Y202 HydrophobicContact CG2-CD2 4.12Å; T200-Y202 HydrophobicContact CG2-CE2 3.6Å; T200-T227 PolarHBondContact N-OG1 3.1Å; T200-T227 PolarHBondContact O-N 3.42Å; T200-T227 PolarHBondContact O-OG1 3.42Å | ||
| 201 | R | 90.5 | Very high | 90.7 | Very high | 131 Ų | 131 | 52.2 Ų | 52.2 | 49% | 0.494 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 120 | 176.7 | -171.9 | 175.2 | 179.4 | 124.9 | 2.3 | 109.2 | E171 Q172 T225 | E171-R201 CarbonylContact C-O 3.56Å; Q172-R201 HydrophobicContact CB-CB 4.34Å; Q172-R201 HydrophobicContact CB-CG 4.24Å; Q172-R201 PolarHBondContact N-O 2.91Å; R201-T225 CarbonylContact C-O 3.59Å; R201-T225 WeakPolarHBondContact CA-O 3.22Å |
| 202 | Y | 91.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 140.6 | 176.2 | -74.6 | -84 | 0 | 0 | 0 | 110.7 | W170 E171 V196 E197 T200 C224 T225 T227 | W170-Y202 WeakPolarHBondContact O-CA 3.33Å; E171-Y202 HydrophobicContact CB-CD1 4.29Å; E171-Y202 HydrophobicContact CB-CE1 3.93Å; V196-Y202 HydrophobicContact CB-CD2 4.36Å; V196-Y202 HydrophobicContact CB-CE2 3.77Å; V196-Y202 HydrophobicContact CG1-CE2 4.22Å; E197-Y202 WeakPolarHBondContact CB-OH 3.04Å; E197-Y202 PolarHBondContact N-OH 2.99Å; T200-Y202 HydrophobicContact CG2-CD2 4.12Å; T200-Y202 HydrophobicContact CG2-CE2 3.6Å; Y202-C224 CarbonylContact O-C 3.52Å; Y202-C224 WeakPolarHBondContact O-CA 3.22Å; Y202-C224 WeakPolarHBondContact O-CB 3.48Å; Y202-T225 PolarHBondContact N-O 2.79Å; Y202-T225 PolarHBondContact O-N 3.04Å; Y202-T227 HydrophobicContact CD2-CG2 3.69Å; Y202-T227 HydrophobicContact CE2-CG2 3.96Å |
| 203 | C | 93.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143.4 | 171.2 | -65.1 | 0 | 0 | 0 | 0 | 110.1 | Y169 W170 Q172 L223 C224 | Y169-C203 WeakPolarHBondContact CA-O 3.36Å; Y169-C203 WeakPolarHBondContact CB-O 3.45Å; W170-C203 HydrophobicContact CD2-CB 4.1Å; W170-C203 HydrophobicContact CH2-CB 4.18Å; W170-C203 HydrophobicContact CZ2-CB 3.57Å; W170-C203 PolarHBondContact N-O 3.17Å; W170-C203 PolarHBondContact O-N 2.78Å; Q172-C203 PolarHBondContact OE1-SG 3.08Å; C203-L223 CarbonylContact C-O 3.57Å; C203-L223 WeakPolarHBondContact CA-O 3.43Å; C203-C224 HydrophobicContact CB-CB 4.08Å; C203-C224 WeakPolarHBondContact CB-SG 3.43Å; C203-C224 WeakPolarHBondContact SG-CB 3.46Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 2.93Å |
| 204 | V | 94.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.9 | -177.8 | -174.5 | 0 | 0 | 0 | 0 | 110 | L134 L141 I143 I167 V168 I206 P222 L223 | L134-V204 HydrophobicContact CD1-CG2 4.17Å; L134-V204 HydrophobicContact CD2-CB 4.44Å; L134-V204 HydrophobicContact CD2-CG2 4.11Å; L141-V204 HydrophobicContact CD2-CG2 4.31Å; I143-V204 HydrophobicContact CD1-CG1 4.07Å; I143-V204 HydrophobicContact CD1-CG2 4.3Å; I167-V204 HydrophobicContact CG2-CG1 3.72Å; V168-V204 CarbonylContact O-C 3.55Å; V168-V204 WeakPolarHBondContact O-CA 3.32Å; V204-I206 HydrophobicContact CG1-CD1 4.18Å; V204-I206 HydrophobicContact CG1-CG1 3.86Å; V204-P222 WeakPolarHBondContact O-CA 3.19Å; V204-L223 PolarHBondContact N-O 3.19Å; V204-L223 PolarHBondContact O-N 2.71Å |
| 205 | Q | 96.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.9 | 167.1 | -73.2 | -179.3 | -24.8 | 0 | 0 | 109.7 | V168 W170 F219 P222 | V168-Q205 PolarHBondContact N-O 3.3Å; V168-Q205 PolarHBondContact O-N 3.01Å; W170-Q205 HydrophobicContact CH2-CG 3.72Å; W170-Q205 HydrophobicContact CZ3-CB 4.27Å; W170-Q205 HydrophobicContact CZ3-CG 3.97Å; Q205-F219 HydrophobicContact CB-CB 4.34Å; Q205-F219 HydrophobicContact CB-CD1 3.86Å; Q205-F219 HydrophobicContact CB-CG 4.38Å; Q205-P222 HydrophobicContact CG-CB 3.85Å |
| 206 | I | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.5 | -176.5 | -48.7 | -176 | 0 | 0 | 0 | 108.6 | P129 V132 I143 I145 Y165 E166 I167 V204 T220 | P129-I206 HydrophobicContact CG-CB 4.29Å; P129-I206 HydrophobicContact CG-CG2 3.83Å; V132-I206 HydrophobicContact CB-CD1 4.48Å; V132-I206 HydrophobicContact CG1-CD1 3.65Å; V132-I206 HydrophobicContact CG2-CD1 3.92Å; V132-I206 HydrophobicContact CG2-CG1 4.49Å; I143-I206 HydrophobicContact CG2-CD1 3.67Å; I145-I206 HydrophobicContact CD1-CD1 3.84Å; I145-I206 HydrophobicContact CD1-CG2 4.29Å; I145-I206 HydrophobicContact CG1-CD1 3.83Å; Y165-I206 HydrophobicContact CD1-CG2 4.25Å; Y165-I206 HydrophobicContact CG-CG2 4.42Å; E166-I206 WeakPolarHBondContact O-CA 3.44Å; I167-I206 HydrophobicContact CG1-CD1 4.25Å; I167-I206 HydrophobicContact CG1-CG1 4.11Å; I167-I206 HydrophobicContact CG1-CG2 3.94Å; I167-I206 HydrophobicContact CG2-CG1 4.29Å; V204-I206 HydrophobicContact CG1-CD1 4.18Å; V204-I206 HydrophobicContact CG1-CG1 3.86Å; I206-T220 PolarHBondContact N-OG1 2.95Å; I206-T220 WeakPolarHBondContact O-CG2 3.33Å; I206-T220 PolarHBondContact O-N 3.18Å; I206-T220 PolarHBondContact O-OG1 3.34Å |
| 207 | R | 97.5 | Very high | 92.7 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 19% | 0.185 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.8 | 166.7 | 67.2 | 176.9 | 171.5 | -162.4 | -13 | 110.8 | Y165 E166 F219 | Y165-R207 WeakPolarHBondContact CA-O 3.32Å; E166-R207 HydrophobicContact CB-CG 3.94Å; E166-R207 VanDerWaalsContact CD-NE 3.34Å; E166-R207 PolarHBondContact N-O 2.81Å; E166-R207 PolarHBondContact O-N 3.21Å; E166-R207 IonicContact OE1-CZ 3.63Å; E166-R207 IonicContact OE1-NE 3.72Å; E166-R207 IonicContact OE1-NH2 2.75Å; E166-R207 PolarHBondContact OE1-NH2 3.18Å; E166-R207 IonicContact OE2-CZ 3.08Å; E166-R207 IonicContact OE2-NE 2.67Å; E166-R207 PolarHBondContact OE2-NE 2.62Å; E166-R207 IonicContact OE2-NH2 2.78Å; E166-R207 PolarHBondContact OE2-NH2 2.89Å; R207-F219 HydrophobicContact CB-CD1 3.85Å; R207-F219 HydrophobicContact CB-CE1 4.03Å; R207-F219 HydrophobicContact CB-CG 4.25Å; R207-F219 HydrophobicContact CG-CD1 4.01Å; R207-F219 HydrophobicContact CG-CE1 3.64Å; R207-F219 HydrophobicContact CG-CE2 4.5Å; R207-F219 HydrophobicContact CG-CZ 3.93Å |
| 208 | S | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 142.8 | 170.1 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | G127 P129 P148 Y165 S217 | G127-S208 WeakPolarHBondContact O-CB 3.44Å; P129-S208 WeakPolarHBondContact CD-OG 3.13Å; P148-S208 WeakPolarHBondContact CG-OG 3.45Å; Y165-S208 VanDerWaalsContact CE1-OG 3.32Å; Y165-S208 WeakPolarHBondContact CE1-OG 3.45Å; S208-S217 WeakPolarHBondContact CA-OG 3.5Å; S208-S217 WeakPolarHBondContact CB-OG 3.47Å; S208-S217 PolarHBondContact N-OG 3.06Å; S208-S217 PolarHBondContact O-N 3.25Å; S208-S217 PolarHBondContact O-OG 2.04Å; S208-S217 VanDerWaalsContact O-OG 3.05Å |
| 209 | R | 96.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.5 | -179.6 | -70.6 | -71.7 | -164.9 | 160.4 | 4.2 | 110.8 | Y164 E166 K215 S216 | Y164-R209 HydrophobicContact CD1-CB 4.1Å; Y164-R209 HydrophobicContact CD2-CB 3.82Å; Y164-R209 HydrophobicContact CD2-CG 4.46Å; Y164-R209 HydrophobicContact CE1-CB 3.67Å; Y164-R209 HydrophobicContact CE2-CB 3.36Å; Y164-R209 HydrophobicContact CE2-CG 3.82Å; Y164-R209 HydrophobicContact CG-CB 4.17Å; Y164-R209 PolarHBondContact N-O 2.74Å; Y164-R209 PolarHBondContact O-N 3.2Å; E166-R209 HydrophobicContact CB-CG 4.28Å; E166-R209 IonicContact OE2-CZ 3.54Å; E166-R209 IonicContact OE2-NE 3.03Å; E166-R209 PolarHBondContact OE2-NE 3.11Å; E166-R209 IonicContact OE2-NH2 3.17Å; E166-R209 PolarHBondContact OE2-NH2 2.76Å; R209-K215 WeakPolarHBondContact CA-O 3.25Å; R209-S216 VanDerWaalsContact NH1-CB 3.29Å |
| 210 | D | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 129.5 | 167.5 | 173.6 | 91.5 | 0 | 0 | 0 | 109.2 | K162 F212 N214 K215 | K162-D210 PolarHBondContact N-OD1 2.76Å; D210-F212 WeakPolarHBondContact OD2-CB 3.32Å; D210-F212 PolarHBondContact OD2-N 3.04Å; D210-N214 CarbonylContact O-C 3.57Å; D210-N214 VanDerWaalsContact O-CA 3.25Å; D210-N214 WeakPolarHBondContact O-CA 3.3Å; D210-N214 PolarHBondContact O-N 2.81Å; D210-K215 HydrophobicContact CB-CB 4.43Å; D210-K215 PolarHBondContact N-O 3.27Å; D210-K215 PolarHBondContact O-N 2.95Å |
| 211 | D | 90.7 | Very high | 94.9 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -21.6 | -172.3 | -67.5 | -29.6 | 0 | 0 | 0 | 113.5 | Y164 Y213 N214 | Y164-D211 VanDerWaalsContact CE1-CG 3.49Å; Y164-D211 VanDerWaalsContact CE1-OD1 3.26Å; Y164-D211 WeakPolarHBondContact CE1-OD1 3.31Å; Y164-D211 WeakPolarHBondContact CE1-OD2 3.11Å; Y164-D211 VanDerWaalsContact CZ-OD1 3.28Å; Y164-D211 PolarHBondContact OH-OD1 3Å; D211-Y213 PolarHBondContact O-N 3.39Å; D211-N214 PolarHBondContact O-N 2.73Å |
| 212 | F | 91.4 | Very high | 95.1 | Very high | 115 Ų | 115 | 48.9 Ų | 48.9 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -41.7 | -169.1 | -173.1 | -104.1 | 0 | 0 | 0 | 112.1 | H161 D210 | H161-F212 HydrophobicContact CB-CB 4.26Å; D210-F212 WeakPolarHBondContact OD2-CB 3.32Å; D210-F212 PolarHBondContact OD2-N 3.04Å |
| 213 | Y | 92.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 18.2 | 168.7 | -69.1 | -68.2 | 0 | 0 | 0 | 113.2 | D121 K122 D211 K215 | D121-Y213 HydrophobicContact CB-CE2 4.34Å; D121-Y213 WeakPolarHBondContact O-CD2 3.06Å; D121-Y213 WeakPolarHBondContact O-CE2 3.38Å; D121-Y213 WeakPolarHBondContact OD2-CE2 3.5Å; K122-Y213 HydrophobicContact CB-CD1 4.38Å; K122-Y213 HydrophobicContact CB-CD2 4.43Å; K122-Y213 HydrophobicContact CB-CE1 3.97Å; K122-Y213 HydrophobicContact CB-CE2 4.01Å; K122-Y213 HydrophobicContact CD-CE1 4.19Å; K122-Y213 HydrophobicContact CG-CD1 3.91Å; K122-Y213 HydrophobicContact CG-CE1 3.68Å; K122-Y213 HydrophobicContact CG-CG 4.45Å; D211-Y213 PolarHBondContact O-N 3.39Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 2.77Å |
| 214 | N | 92.9 | Very high | 95.2 | Very high | 116 Ų | 116 | 53.3 Ų | 53.3 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 47.1 | -176.4 | -168.9 | 23.5 | 0 | 0 | 0 | 112.5 | D210 D211 | D210-N214 CarbonylContact O-C 3.57Å; D210-N214 VanDerWaalsContact O-CA 3.25Å; D210-N214 WeakPolarHBondContact O-CA 3.3Å; D210-N214 PolarHBondContact O-N 2.81Å; D211-N214 PolarHBondContact O-N 2.73Å |
| 215 | K | 94.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 138.7 | 179.6 | -62.3 | -179.6 | -169.9 | -82.9 | 0 | 109.6 | D121 K122 A124 I126 R209 D210 Y213 | D121-K215 WeakPolarHBondContact O-CE 3.49Å; D121-K215 PolarHBondContact O-NZ 2.9Å; K122-K215 VanDerWaalsContact C-NZ 3.26Å; K122-K215 PolarHBondContact O-NZ 2.86Å; A124-K215 PolarHBondContact O-NZ 2.84Å; I126-K215 HydrophobicContact CG2-CB 3.79Å; R209-K215 WeakPolarHBondContact CA-O 3.25Å; D210-K215 HydrophobicContact CB-CB 4.43Å; D210-K215 PolarHBondContact N-O 3.27Å; D210-K215 PolarHBondContact O-N 2.95Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 2.77Å |
| 216 | S | 96.1 | Very high | 94.8 | Very high | 61 Ų | 61 | 58 Ų | 58 | 43% | 0.427 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 130.8 | 171.7 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | R209 | R209-S216 VanDerWaalsContact NH1-CB 3.29Å |
| 217 | S | 97.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 166 | 169.1 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | I126 G127 P128 S208 | I126-S217 WeakPolarHBondContact O-CA 3.47Å; I126-S217 WeakPolarHBondContact O-CB 3.21Å; G127-S217 WeakPolarHBondContact O-CB 3.32Å; P128-S217 VanDerWaalsContact N-CB 3.32Å; S208-S217 WeakPolarHBondContact CA-OG 3.5Å; S208-S217 WeakPolarHBondContact CB-OG 3.47Å; S208-S217 PolarHBondContact N-OG 3.06Å; S208-S217 PolarHBondContact O-N 3.25Å; S208-S217 PolarHBondContact O-OG 2.04Å; S208-S217 VanDerWaalsContact O-OG 3.05Å |
| 218 | T | 97.3 | Very high | 93.8 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 64% | 0.644 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 158.8 | 162.3 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | P128 | P128-T218 WeakPolarHBondContact CB-O 3.46Š|
| 219 | F | 97.2 | Very high | 92.6 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 31% | 0.311 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 147.2 | 171.9 | -77.7 | -79 | 0 | 0 | 0 | 111.2 | V168 Q205 R207 | V168-F219 HydrophobicContact CB-CE1 4.33Å; V168-F219 HydrophobicContact CG2-CE1 3.7Å; V168-F219 HydrophobicContact CG2-CZ 3.87Å; Q205-F219 HydrophobicContact CB-CB 4.34Å; Q205-F219 HydrophobicContact CB-CD1 3.86Å; Q205-F219 HydrophobicContact CB-CG 4.38Å; R207-F219 HydrophobicContact CB-CD1 3.85Å; R207-F219 HydrophobicContact CB-CE1 4.03Å; R207-F219 HydrophobicContact CB-CG 4.25Å; R207-F219 HydrophobicContact CG-CD1 4.01Å; R207-F219 HydrophobicContact CG-CE1 3.64Å; R207-F219 HydrophobicContact CG-CE2 4.5Å; R207-F219 HydrophobicContact CG-CZ 3.93Å |
| 220 | T | 97.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.086 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 153.5 | 163.1 | 58 | 0 | 0 | 0 | 0 | 110 | P128 P129 V132 I206 | P128-T220 HydrophobicContact CB-CG2 3.89Å; P129-T220 HydrophobicContact CG-CG2 4.42Å; V132-T220 HydrophobicContact CG2-CG2 4.11Å; I206-T220 PolarHBondContact N-OG1 2.95Å; I206-T220 WeakPolarHBondContact O-CG2 3.33Å; I206-T220 PolarHBondContact O-N 3.18Å; I206-T220 PolarHBondContact O-OG1 3.34Å |
| 221 | P | 95.5 | Very high | 90.5 | Very high | 108 Ų | 108 | 68.6 Ų | 68.6 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 145 | 164.9 | -24.9 | 34.7 | 0 | 0 | 0 | 110.9 | L223 | P221-L223 PolarHBondContact O-N 3.36Š|
| 222 | P | 94.4 | Very high | 90 | Very high | 72 Ų | 72 | 67 Ų | 67 | 47% | 0.468 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 126 | 179.7 | 26.9 | -31 | 0 | 0 | 0 | 109.8 | W170 V204 Q205 | W170-P222 HydrophobicContact CH2-CB 4.04Å; W170-P222 HydrophobicContact CZ2-CB 4.24Å; V204-P222 WeakPolarHBondContact O-CA 3.19Å; Q205-P222 HydrophobicContact CG-CB 3.85Å |
| 223 | L | 94.6 | Very high | 89.6 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.5 | 174.2 | -177.2 | 58.2 | 0 | 0 | 0 | 108.5 | V132 L134 C203 V204 P221 | V132-L223 HydrophobicContact CG1-CD2 4.27Å; L134-L223 HydrophobicContact CD1-CB 4.26Å; L134-L223 HydrophobicContact CD1-CD2 4.11Å; L134-L223 HydrophobicContact CD1-CG 3.76Å; L134-L223 WeakPolarHBondContact CD1-O 3.38Å; L134-L223 HydrophobicContact CG-CD2 3.73Å; L134-L223 HydrophobicContact CG-CG 3.98Å; C203-L223 CarbonylContact C-O 3.57Å; C203-L223 WeakPolarHBondContact CA-O 3.43Å; V204-L223 PolarHBondContact N-O 3.19Å; V204-L223 PolarHBondContact O-N 2.71Å; P221-L223 PolarHBondContact O-N 3.36Å |
| 224 | C | 93.4 | Very high | 89.3 | Confident | 41 Ų | 41 | 75 Ų | 75 | 28% | 0.277 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.8 | -176.4 | -46.5 | 0 | 0 | 0 | 0 | 111.7 | Y202 C203 | Y202-C224 CarbonylContact O-C 3.52Å; Y202-C224 WeakPolarHBondContact O-CA 3.22Å; Y202-C224 WeakPolarHBondContact O-CB 3.48Å; C203-C224 HydrophobicContact CB-CB 4.08Å; C203-C224 WeakPolarHBondContact CB-SG 3.43Å; C203-C224 WeakPolarHBondContact SG-CB 3.46Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 2.93Å |
| 225 | T | 92.4 | Very high | 89 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 23% | 0.233 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 156.4 | 173.9 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | L134 V136 L141 R201 Y202 | L134-T225 HydrophobicContact CB-CG2 4.07Å; L134-T225 HydrophobicContact CD1-CG2 3.82Å; V136-T225 HydrophobicContact CG2-CG2 3.7Å; L141-T225 HydrophobicContact CD1-CG2 3.45Å; L141-T225 VanDerWaalsContact CD1-CG2 3.45Å; R201-T225 CarbonylContact C-O 3.59Å; R201-T225 WeakPolarHBondContact CA-O 3.22Å; Y202-T225 PolarHBondContact N-O 2.79Å; Y202-T225 PolarHBondContact O-N 3.04Å |
| 226 | Q | 89.9 | Confident | 88.8 | Confident | 113 Ų | 113 | 77 Ų | 77 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.1 | 172.9 | -171.6 | 168.3 | 19.3 | 0 | 0 | 109.4 | W199 | W199-Q226 PolarHBondContact O-NE2 2.85Å |
| 227 | T | 88.5 | Confident | 88.7 | Confident | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 148.1 | 175.8 | 52.8 | 0 | 0 | 0 | 0 | 111 | V196 E197 W199 T200 Y202 | V196-T227 HydrophobicContact CB-CG2 4.18Å; V196-T227 HydrophobicContact CG2-CG2 3.88Å; E197-T227 WeakPolarHBondContact O-CB 3.39Å; E197-T227 PolarHBondContact O-OG1 2.57Å; W199-T227 WeakPolarHBondContact CA-O 3.29Å; W199-T227 PolarHBondContact N-O 3.16Å; W199-T227 PolarHBondContact N-OG1 2.8Å; T200-T227 PolarHBondContact N-OG1 3.1Å; T200-T227 PolarHBondContact O-N 3.42Å; T200-T227 PolarHBondContact O-OG1 3.42Å; Y202-T227 HydrophobicContact CD2-CG2 3.69Å; Y202-T227 HydrophobicContact CE2-CG2 3.96Å |
| 228 | E | 83.9 | Confident | 88.5 | Confident | 120 Ų | 120 | 84.2 Ų | 84.2 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 128.4 | 176.1 | -68.3 | -173.8 | 167.2 | 0 | 0 | 109.4 | V136 G138 | V136-E228 HydrophobicContact CG1-CB 4.07Å; V136-E228 HydrophobicContact CG1-CG 3.94Å; G138-E228 CarbonylContact C-O 2.92Å; G138-E228 WeakPolarHBondContact CA-O 3.47Å |
| 229 | G | 73.4 | Confident | 88.4 | Confident | 13 Ų | 13 | 85.6 Ų | 85.6 | 13% | 0.134 | 43% | 0.427 | C | S | . | . | trans | -109.7 | 139.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P198 W199 V231 | P198-G229 VanDerWaalsContact CB-CA 3.49Å; W199-G229 VanDerWaalsContact CE2-O 3.25Å; W199-G229 WeakPolarHBondContact CZ2-O 3.45Å; W199-G229 PolarHBondContact NE1-O 2.83Å; G229-V231 PolarHBondContact O-N 2.86Å | ||
| 230 | V | 72.4 | Confident | 88.3 | Confident | 120 Ų | 120 | 88.8 Ų | 88.8 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 124.2 | 158.1 | -175.7 | 0 | 0 | 0 | 0 | 106.9 | P232 | V230-P232 WeakPolarHBondContact O-CD 3.41Š|
| 231 | V | 74.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 126.6 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | W199 G229 W233 K235 I236 | W199-V231 HydrophobicContact CZ2-CG2 4.04Å; G229-V231 PolarHBondContact O-N 2.86Å; V231-W233 PolarHBondContact O-N 3.25Å; V231-K235 HydrophobicContact CG1-CB 4Å; V231-I236 HydrophobicContact CB-CD1 4.24Å; V231-I236 HydrophobicContact CB-CG1 4.14Å; V231-I236 HydrophobicContact CG1-CG1 3.87Å |
| 232 | P | 80.5 | Confident | 88.3 | Confident | 53 Ų | 53 | 92.4 Ų | 92.4 | 34% | 0.344 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 133.8 | -178.6 | -25.5 | 32.7 | 0 | 0 | 0 | 111.2 | V230 W234 K235 I236 | V230-P232 WeakPolarHBondContact O-CD 3.41Å; P232-W234 HydrophobicContact CB-CD2 4.5Å; P232-W234 HydrophobicContact CB-CG 4.17Å; P232-W234 PolarHBondContact O-N 2.81Å; P232-K235 WeakPolarHBondContact O-CB 3.37Å; P232-K235 PolarHBondContact O-N 2.95Å; P232-I236 PolarHBondContact O-N 2.9Å |
| 233 | W | 82.9 | Confident | 88.5 | Confident | 212 Ų | 212 | 92.7 Ų | 92.7 | 80% | 0.803 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -53.1 | -34.1 | -177.3 | -74.1 | 88.2 | 0 | 0 | 0 | 113.3 | V231 K235 I236 F237 | V231-W233 PolarHBondContact O-N 3.25Å; W233-K235 VanDerWaalsContact C-N 3.33Å; W233-K235 PolarHBondContact O-N 3.47Å; W233-I236 PolarHBondContact O-N 2.93Å; W233-F237 WeakPolarHBondContact O-CB 3.34Å; W233-F237 PolarHBondContact O-N 3.44Å |
| 234 | W | 86.4 | Confident | 88.6 | Confident | 165 Ų | 165 | 94.1 Ų | 94.1 | 63% | 0.625 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.3 | -34.9 | 176.5 | 67.6 | -93.9 | 0 | 0 | 0 | 113 | P232 L238 | P232-W234 HydrophobicContact CB-CD2 4.5Å; P232-W234 HydrophobicContact CB-CG 4.17Å; P232-W234 PolarHBondContact O-N 2.81Å; W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 PolarHBondContact O-N 2.69Å |
| 235 | K | 87.3 | Confident | 88.8 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 173.7 | -74.4 | -160.1 | 177.5 | -178.4 | 0 | 110.8 | V231 P232 W233 F237 L238 F239 | V231-K235 HydrophobicContact CG1-CB 4Å; P232-K235 WeakPolarHBondContact O-CB 3.37Å; P232-K235 PolarHBondContact O-N 2.95Å; W233-K235 VanDerWaalsContact C-N 3.33Å; W233-K235 PolarHBondContact O-N 3.47Å; K235-F237 VanDerWaalsContact C-N 3.34Å; K235-F237 PolarHBondContact O-N 3.24Å; K235-L238 PolarHBondContact O-N 2.89Å; K235-F239 HydrophobicContact CB-CE2 4.31Å; K235-F239 WeakPolarHBondContact O-CD2 3.47Å; K235-F239 PolarHBondContact O-N 2.85Å |
| 236 | I | 89.5 | Confident | 88.9 | Confident | 82 Ų | 82 | 97.1 Ų | 97.1 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | 175.9 | -58.2 | 174.7 | 0 | 0 | 0 | 110 | V231 P232 W233 L238 F239 F240 | V231-I236 HydrophobicContact CB-CD1 4.24Å; V231-I236 HydrophobicContact CB-CG1 4.14Å; V231-I236 HydrophobicContact CG1-CG1 3.87Å; P232-I236 PolarHBondContact O-N 2.9Å; W233-I236 PolarHBondContact O-N 2.93Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.48Å; I236-F239 PolarHBondContact O-N 2.92Å; I236-F240 WeakPolarHBondContact O-CB 3.37Å; I236-F240 PolarHBondContact O-N 3.29Å |
| 237 | F | 93.1 | Very high | 89.3 | Confident | 135 Ų | 135 | 95.4 Ų | 95.4 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 177.5 | -178.9 | -98.5 | 0 | 0 | 0 | 112.1 | W233 K235 F240 L241 | W233-F237 WeakPolarHBondContact O-CB 3.34Å; W233-F237 PolarHBondContact O-N 3.44Å; K235-F237 VanDerWaalsContact C-N 3.34Å; K235-F237 PolarHBondContact O-N 3.24Å; F237-F240 PolarHBondContact O-N 3.23Å; F237-L241 HydrophobicContact CE1-CD2 4.43Å; F237-L241 WeakPolarHBondContact O-CB 3.15Å; F237-L241 PolarHBondContact O-N 3.08Å |
| 238 | L | 94.4 | Very high | 89.7 | Confident | 87 Ų | 87 | 101.4 Ų | 101.4 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 176.5 | -178.8 | 67.3 | 0 | 0 | 0 | 111.6 | W234 K235 I236 F240 L241 L242 | W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 PolarHBondContact O-N 2.69Å; K235-L238 PolarHBondContact O-N 2.89Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.48Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.46Å; L238-L241 PolarHBondContact O-N 2.9Å; L238-L242 WeakPolarHBondContact O-CB 3.12Å; L238-L242 PolarHBondContact O-N 3.03Å |
| 239 | F | 94.3 | Very high | 90.3 | Very high | 134 Ų | 134 | 100.3 Ų | 100.3 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -39.7 | 177.2 | -72 | -57.3 | 0 | 0 | 0 | 112.2 | K235 I236 L242 S243 | K235-F239 HydrophobicContact CB-CE2 4.31Å; K235-F239 WeakPolarHBondContact O-CD2 3.47Å; K235-F239 PolarHBondContact O-N 2.85Å; I236-F239 PolarHBondContact O-N 2.92Å; F239-L242 PolarHBondContact O-N 3.21Å; F239-S243 WeakPolarHBondContact O-CB 3.33Å; F239-S243 PolarHBondContact O-N 2.79Å |
| 240 | F | 95.9 | Very high | 91.4 | Very high | 137 Ų | 137 | 102.9 Ų | 102.9 | 60% | 0.601 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 175.2 | -179.3 | -99 | 0 | 0 | 0 | 111.9 | I236 F237 L238 S243 L244 | I236-F240 WeakPolarHBondContact O-CB 3.37Å; I236-F240 PolarHBondContact O-N 3.29Å; F237-F240 PolarHBondContact O-N 3.23Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.46Å; F240-S243 PolarHBondContact O-N 3.06Å; F240-L244 HydrophobicContact CE1-CD1 4.27Å; F240-L244 WeakPolarHBondContact O-CB 3.28Å; F240-L244 PolarHBondContact O-N 2.84Å |
| 241 | L | 96.5 | Very high | 92.5 | Very high | 80 Ų | 80 | 100.6 Ų | 100.6 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.8 | -173 | 67.8 | 0 | 0 | 0 | 111.4 | F237 L238 S243 L244 V245 | F237-L241 HydrophobicContact CE1-CD2 4.43Å; F237-L241 WeakPolarHBondContact O-CB 3.15Å; F237-L241 PolarHBondContact O-N 3.08Å; L238-L241 PolarHBondContact O-N 2.9Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.35Å; L241-L244 PolarHBondContact O-N 2.91Å; L241-V245 WeakPolarHBondContact O-CG2 3.36Å; L241-V245 PolarHBondContact O-N 2.87Å |
| 242 | L | 97 | Very high | 93.5 | Very high | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 177.3 | -155.4 | 84.4 | 0 | 0 | 0 | 111.2 | L238 F239 S246 | L238-L242 WeakPolarHBondContact O-CB 3.12Å; L238-L242 PolarHBondContact O-N 3.03Å; F239-L242 PolarHBondContact O-N 3.21Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 2.76Å |
| 243 | S | 97.1 | Very high | 94.3 | Very high | 79 Ų | 79 | 104.8 Ų | 104.8 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 175.3 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | F239 F240 L241 S246 C247 | F239-S243 WeakPolarHBondContact O-CB 3.33Å; F239-S243 PolarHBondContact O-N 2.79Å; F240-S243 PolarHBondContact O-N 3.06Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.35Å; S243-S246 PolarHBondContact O-N 3.1Å; S243-C247 WeakPolarHBondContact O-CB 3.43Å; S243-C247 PolarHBondContact O-N 2.98Å |
| 244 | L | 96.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 101.9 Ų | 101.9 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 179.3 | -170.6 | 151.5 | 0 | 0 | 0 | 111.4 | F240 L241 C247 F248 | F240-L244 HydrophobicContact CE1-CD1 4.27Å; F240-L244 WeakPolarHBondContact O-CB 3.28Å; F240-L244 PolarHBondContact O-N 2.84Å; L241-L244 PolarHBondContact O-N 2.91Å; L244-C247 PolarHBondContact O-N 3.35Å; L244-F248 WeakPolarHBondContact O-CB 3.37Å; L244-F248 PolarHBondContact O-N 2.89Å |
| 245 | V | 97.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 99 Ų | 99 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.7 | 174 | 0 | 0 | 0 | 0 | 110.6 | L241 C247 F248 L249 | L241-V245 WeakPolarHBondContact O-CG2 3.36Å; L241-V245 PolarHBondContact O-N 2.87Å; V245-C247 VanDerWaalsContact C-N 3.34Å; V245-C247 PolarHBondContact O-N 2.92Å; V245-F248 PolarHBondContact O-N 3.11Å; V245-L249 HydrophobicContact CG1-CD1 4.12Å; V245-L249 HydrophobicContact CG1-CG 4.41Å; V245-L249 WeakPolarHBondContact O-CG 3.48Å; V245-L249 PolarHBondContact O-N 2.94Å |
| 246 | S | 96.5 | Very high | 95.6 | Very high | 70 Ų | 70 | 101.9 Ų | 101.9 | 49% | 0.49 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 175.6 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | L242 S243 L249 V250 | L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 2.76Å; S243-S246 PolarHBondContact O-N 3.1Å; S246-L249 PolarHBondContact O-N 3.07Å; S246-V250 VanDerWaalsContact O-CG2 3.29Å; S246-V250 WeakPolarHBondContact O-CG2 3.4Å; S246-V250 PolarHBondContact O-N 2.85Å |
| 247 | C | 97 | Very high | 95.7 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 52% | 0.52 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 177.3 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | S243 L244 V245 L249 V250 V251 | S243-C247 WeakPolarHBondContact O-CB 3.43Å; S243-C247 PolarHBondContact O-N 2.98Å; L244-C247 PolarHBondContact O-N 3.35Å; V245-C247 VanDerWaalsContact C-N 3.34Å; V245-C247 PolarHBondContact O-N 2.92Å; C247-L249 PolarHBondContact O-N 2.85Å; C247-V250 PolarHBondContact O-N 2.88Å; C247-V251 WeakPolarHBondContact O-CG2 3.5Å; C247-V251 PolarHBondContact O-N 3.44Å |
| 248 | F | 96.6 | Very high | 95.6 | Very high | 127 Ų | 127 | 96.5 Ų | 96.5 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 178.1 | -176.9 | -104.2 | 0 | 0 | 0 | 112.5 | L244 V245 V251 L252 | L244-F248 WeakPolarHBondContact O-CB 3.37Å; L244-F248 PolarHBondContact O-N 2.89Å; V245-F248 PolarHBondContact O-N 3.11Å; F248-V251 PolarHBondContact O-N 2.85Å; F248-L252 HydrophobicContact CD1-CD1 3.7Å; F248-L252 HydrophobicContact CD1-CG 4.33Å; F248-L252 HydrophobicContact CE1-CD1 3.23Å; F248-L252 HydrophobicContact CE1-CG 3.98Å; F248-L252 HydrophobicContact CZ-CD1 3.74Å; F248-L252 HydrophobicContact CZ-CD2 4.39Å; F248-L252 HydrophobicContact CZ-CG 4.08Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 WeakPolarHBondContact O-CG 3.34Å; F248-L252 PolarHBondContact O-N 2.96Å |
| 249 | L | 96.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.7 | -70.7 | 174.6 | 0 | 0 | 0 | 112 | V245 S246 C247 L252 L253 | V245-L249 HydrophobicContact CG1-CD1 4.12Å; V245-L249 HydrophobicContact CG1-CG 4.41Å; V245-L249 WeakPolarHBondContact O-CG 3.48Å; V245-L249 PolarHBondContact O-N 2.94Å; S246-L249 PolarHBondContact O-N 3.07Å; C247-L249 PolarHBondContact O-N 2.85Å; L249-L252 PolarHBondContact O-N 3.25Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 2.93Å |
| 250 | V | 96.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 96.1 Ų | 96.1 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | S246 C247 L253 F254 | S246-V250 VanDerWaalsContact O-CG2 3.29Å; S246-V250 WeakPolarHBondContact O-CG2 3.4Å; S246-V250 PolarHBondContact O-N 2.85Å; C247-V250 PolarHBondContact O-N 2.88Å; V250-L253 PolarHBondContact O-N 2.8Å; V250-F254 HydrophobicContact CG1-CD2 3.77Å; V250-F254 HydrophobicContact CG1-CE2 3.43Å; V250-F254 VanDerWaalsContact CG1-CE2 3.43Å; V250-F254 WeakPolarHBondContact O-CD2 3.41Å; V250-F254 PolarHBondContact O-N 2.87Å |
| 251 | V | 96.6 | Very high | 94.6 | Very high | 73 Ų | 73 | 93 Ų | 93 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.5 | 174 | 0 | 0 | 0 | 0 | 111.4 | C247 F248 L253 F254 L255 | C247-V251 WeakPolarHBondContact O-CG2 3.5Å; C247-V251 PolarHBondContact O-N 3.44Å; F248-V251 PolarHBondContact O-N 2.85Å; V251-L253 VanDerWaalsContact C-N 3.32Å; V251-L253 PolarHBondContact O-N 2.95Å; V251-F254 PolarHBondContact O-N 2.9Å; V251-F254 VanDerWaalsContact O-N 3.17Å; V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.4Å |
| 252 | L | 95.5 | Very high | 94.2 | Very high | 78 Ų | 78 | 95.5 Ų | 95.5 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.5 | -80.8 | 176.3 | 0 | 0 | 0 | 112.3 | F248 L249 F254 L255 Y256 | F248-L252 HydrophobicContact CD1-CD1 3.7Å; F248-L252 HydrophobicContact CD1-CG 4.33Å; F248-L252 HydrophobicContact CE1-CD1 3.23Å; F248-L252 HydrophobicContact CE1-CG 3.98Å; F248-L252 HydrophobicContact CZ-CD1 3.74Å; F248-L252 HydrophobicContact CZ-CD2 4.39Å; F248-L252 HydrophobicContact CZ-CG 4.08Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 WeakPolarHBondContact O-CG 3.34Å; F248-L252 PolarHBondContact O-N 2.96Å; L249-L252 PolarHBondContact O-N 3.25Å; L252-F254 VanDerWaalsContact C-N 3.33Å; L252-F254 PolarHBondContact O-N 2.84Å; L252-L255 PolarHBondContact O-N 2.99Å; L252-Y256 VanDerWaalsContact O-CB 3.23Å; L252-Y256 WeakPolarHBondContact O-CB 3.38Å; L252-Y256 PolarHBondContact O-N 2.98Å |
| 253 | L | 95.9 | Very high | 93.4 | Very high | 122 Ų | 122 | 95.3 Ų | 95.3 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 175.2 | -74.1 | 169.3 | 0 | 0 | 0 | 111.7 | L249 V250 V251 G257 | L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 2.93Å; V250-L253 PolarHBondContact O-N 2.8Å; V251-L253 VanDerWaalsContact C-N 3.32Å; V251-L253 PolarHBondContact O-N 2.95Å; L253-G257 WeakPolarHBondContact O-CA 3.19Å; L253-G257 PolarHBondContact O-N 2.84Å |
| 254 | F | 95.2 | Very high | 92.7 | Very high | 151 Ų | 151 | 94.8 Ų | 94.8 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.7 | -42 | 174.4 | -77.8 | -65.5 | 0 | 0 | 0 | 112.9 | V250 V251 L252 S258 | V250-F254 HydrophobicContact CG1-CD2 3.77Å; V250-F254 HydrophobicContact CG1-CE2 3.43Å; V250-F254 VanDerWaalsContact CG1-CE2 3.43Å; V250-F254 WeakPolarHBondContact O-CD2 3.41Å; V250-F254 PolarHBondContact O-N 2.87Å; V251-F254 PolarHBondContact O-N 2.9Å; V251-F254 VanDerWaalsContact O-N 3.17Å; L252-F254 VanDerWaalsContact C-N 3.33Å; L252-F254 PolarHBondContact O-N 2.84Å; F254-S258 VanDerWaalsContact O-CB 3.28Å; F254-S258 WeakPolarHBondContact O-CB 3.31Å; F254-S258 PolarHBondContact O-N 3.33Å; F254-S258 PolarHBondContact O-OG 3.23Å |
| 255 | L | 94.9 | Very high | 91.9 | Very high | 105 Ų | 105 | 92.7 Ų | 92.7 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 176.1 | -68.9 | 177.4 | 0 | 0 | 0 | 111.6 | V251 L252 S258 H259 | V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.4Å; L252-L255 PolarHBondContact O-N 2.99Å; L255-S258 WeakPolarHBondContact CA-OG 3.21Å; L255-S258 PolarHBondContact O-OG 3.35Å; L255-H259 VanDerWaalsContact O-CB 3.26Å; L255-H259 WeakPolarHBondContact O-CB 3.5Å; L255-H259 PolarHBondContact O-N 3.4Å |
| 256 | Y | 94 | Very high | 91 | Very high | 152 Ų | 152 | 95.2 Ų | 95.2 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.9 | -44.7 | 175.8 | 179.3 | -100 | 0 | 0 | 0 | 111.3 | L252 S258 H259 H260 | L252-Y256 VanDerWaalsContact O-CB 3.23Å; L252-Y256 WeakPolarHBondContact O-CB 3.38Å; L252-Y256 PolarHBondContact O-N 2.98Å; Y256-S258 PolarHBondContact O-N 2.86Å; Y256-H259 PolarHBondContact O-N 3.33Å; Y256-H260 WeakPolarHBondContact O-CB 3.38Å; Y256-H260 PolarHBondContact O-N 3.25Å |
| 257 | G | 92 | Very high | 89.8 | Confident | 35 Ų | 35 | 94.9 Ų | 94.9 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L253 C261 | L253-G257 WeakPolarHBondContact O-CA 3.19Å; L253-G257 PolarHBondContact O-N 2.84Å; G257-C261 WeakPolarHBondContact O-CB 3.49Å; G257-C261 PolarHBondContact O-N 3.06Å |
| 258 | S | 90.2 | Very high | 88.4 | Confident | 69 Ų | 69 | 95.8 Ų | 95.8 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 175.4 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | F254 L255 Y256 C261 F262 | F254-S258 VanDerWaalsContact O-CB 3.28Å; F254-S258 WeakPolarHBondContact O-CB 3.31Å; F254-S258 PolarHBondContact O-N 3.33Å; F254-S258 PolarHBondContact O-OG 3.23Å; L255-S258 WeakPolarHBondContact CA-OG 3.21Å; L255-S258 PolarHBondContact O-OG 3.35Å; Y256-S258 PolarHBondContact O-N 2.86Å; S258-C261 PolarHBondContact O-N 2.93Å; S258-F262 VanDerWaalsContact O-CB 3.3Å; S258-F262 WeakPolarHBondContact O-CB 3.47Å; S258-F262 PolarHBondContact O-N 3.42Å |
| 259 | H | 90.9 | Very high | 86.9 | Confident | 114 Ų | 114 | 97.6 Ų | 97.6 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 174.6 | 177.5 | -90.5 | 0 | 0 | 0 | 111.9 | L255 Y256 F262 H263 | L255-H259 VanDerWaalsContact O-CB 3.26Å; L255-H259 WeakPolarHBondContact O-CB 3.5Å; L255-H259 PolarHBondContact O-N 3.4Å; Y256-H259 PolarHBondContact O-N 3.33Å; H259-F262 PolarHBondContact O-N 2.98Å; H259-H263 WeakPolarHBondContact O-CB 3.49Å; H259-H263 PolarHBondContact O-N 3.38Å |
| 260 | H | 87 | Confident | 85.2 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.4 | -173.1 | -76.6 | 0 | 0 | 0 | 110.9 | Y256 F262 H263 V264 | Y256-H260 WeakPolarHBondContact O-CB 3.38Å; Y256-H260 PolarHBondContact O-N 3.25Å; H260-F262 PolarHBondContact O-N 2.9Å; H260-H263 PolarHBondContact O-N 2.83Å; H260-V264 VanDerWaalsContact CE1-CG2 3.5Å; H260-V264 WeakPolarHBondContact CE1-CG2 3.42Å; H260-V264 WeakPolarHBondContact O-CB 3.14Å; H260-V264 VanDerWaalsContact O-CG2 3.26Å; H260-V264 WeakPolarHBondContact O-CG2 3.45Å; H260-V264 PolarHBondContact O-N 2.93Å |
| 261 | C | 87.2 | Confident | 83.1 | Confident | 70 Ų | 70 | 101 Ų | 101 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 173.7 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | G257 S258 H263 V264 C265 | G257-C261 WeakPolarHBondContact O-CB 3.49Å; G257-C261 PolarHBondContact O-N 3.06Å; S258-C261 PolarHBondContact O-N 2.93Å; C261-H263 PolarHBondContact O-N 3.09Å; C261-V264 PolarHBondContact O-N 3.35Å; C261-C265 VanDerWaalsContact O-CB 3.31Å; C261-C265 WeakPolarHBondContact O-CB 3.33Å; C261-C265 PolarHBondContact O-N 3.18Å; C261-C265 PolarHBondContact O-SG 3.21Å |
| 262 | F | 86.5 | Confident | 80.6 | Confident | 133 Ų | 133 | 105.4 Ų | 105.4 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.5 | -45 | 176 | 175.7 | -98.5 | 0 | 0 | 0 | 112.3 | S258 H259 H260 C265 K266 | S258-F262 VanDerWaalsContact O-CB 3.3Å; S258-F262 WeakPolarHBondContact O-CB 3.47Å; S258-F262 PolarHBondContact O-N 3.42Å; H259-F262 PolarHBondContact O-N 2.98Å; H260-F262 PolarHBondContact O-N 2.9Å; F262-C265 PolarHBondContact O-N 3.33Å; F262-K266 HydrophobicContact CE1-CD 4.29Å; F262-K266 VanDerWaalsContact O-CB 3.26Å; F262-K266 WeakPolarHBondContact O-CB 3.21Å; F262-K266 PolarHBondContact O-N 3.35Å |
| 263 | H | 81.1 | Confident | 78.3 | Confident | 115 Ų | 115 | 110.2 Ų | 110.2 | 53% | 0.532 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.9 | -38.1 | 179.9 | -163.1 | -78.2 | 0 | 0 | 0 | 112.1 | H259 H260 C261 K266 A267 | H259-H263 WeakPolarHBondContact O-CB 3.49Å; H259-H263 PolarHBondContact O-N 3.38Å; H260-H263 PolarHBondContact O-N 2.83Å; C261-H263 PolarHBondContact O-N 3.09Å; H263-K266 PolarHBondContact O-N 3.48Å; H263-A267 VanDerWaalsContact O-CB 3.31Å; H263-A267 WeakPolarHBondContact O-CB 3.41Å; H263-A267 PolarHBondContact O-N 3.42Å |
| 264 | V | 83.2 | Confident | 75.8 | Confident | 67 Ų | 67 | 113.8 Ų | 113.8 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -45 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | H260 C261 K266 A267 T268 | H260-V264 VanDerWaalsContact CE1-CG2 3.5Å; H260-V264 WeakPolarHBondContact CE1-CG2 3.42Å; H260-V264 WeakPolarHBondContact O-CB 3.14Å; H260-V264 VanDerWaalsContact O-CG2 3.26Å; H260-V264 WeakPolarHBondContact O-CG2 3.45Å; H260-V264 PolarHBondContact O-N 2.93Å; C261-V264 PolarHBondContact O-N 3.35Å; V264-K266 VanDerWaalsContact C-N 3.34Å; V264-K266 PolarHBondContact O-N 2.83Å; V264-A267 PolarHBondContact O-N 2.87Å; V264-T268 WeakPolarHBondContact O-CB 3.45Å; V264-T268 WeakPolarHBondContact O-CG2 3.49Å; V264-T268 PolarHBondContact O-N 3.04Å; V264-T268 PolarHBondContact O-OG1 2.92Å |
| 265 | C | 79.4 | Confident | 73.4 | Confident | 53 Ų | 53 | 114.1 Ų | 114.1 | 36% | 0.358 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -58.9 | -46.3 | 172.7 | -72.3 | 0 | 0 | 0 | 0 | 110.7 | C261 F262 A267 T268 F269 | C261-C265 VanDerWaalsContact O-CB 3.31Å; C261-C265 WeakPolarHBondContact O-CB 3.33Å; C261-C265 PolarHBondContact O-N 3.18Å; C261-C265 PolarHBondContact O-SG 3.21Å; F262-C265 PolarHBondContact O-N 3.33Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.47Å; C265-T268 WeakPolarHBondContact CA-OG1 3.35Å; C265-T268 PolarHBondContact O-N 3.47Å; C265-T268 PolarHBondContact O-OG1 3.38Å; C265-F269 HydrophobicContact CB-CD2 4.32Å; C265-F269 WeakPolarHBondContact O-CB 3.44Å; C265-F269 WeakPolarHBondContact O-CD2 3.44Å; C265-F269 PolarHBondContact O-N 2.93Å |
| 266 | K | 77.8 | Confident | 70.7 | Confident | 125 Ų | 125 | 114.4 Ų | 114.4 | 54% | 0.543 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.2 | -43 | 176.9 | -172.4 | 176.9 | 179 | 177.9 | 0 | 112.1 | F262 H263 V264 T268 L270 | F262-K266 HydrophobicContact CE1-CD 4.29Å; F262-K266 VanDerWaalsContact O-CB 3.26Å; F262-K266 WeakPolarHBondContact O-CB 3.21Å; F262-K266 PolarHBondContact O-N 3.35Å; H263-K266 PolarHBondContact O-N 3.48Å; V264-K266 VanDerWaalsContact C-N 3.34Å; V264-K266 PolarHBondContact O-N 2.83Å; K266-T268 VanDerWaalsContact C-N 3.33Å; K266-T268 PolarHBondContact O-N 3.46Å; K266-L270 PolarHBondContact O-N 3.46Å |
| 267 | A | 72.2 | Confident | 68.4 | Low | 63 Ų | 63 | 113.4 Ų | 113.4 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.6 | -27.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H263 V264 C265 | H263-A267 VanDerWaalsContact O-CB 3.31Å; H263-A267 WeakPolarHBondContact O-CB 3.41Å; H263-A267 PolarHBondContact O-N 3.42Å; V264-A267 PolarHBondContact O-N 2.87Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.47Å |
| 268 | T | 67.8 | Low | 65.8 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 59% | 0.589 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -87.8 | -31.8 | 179.1 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | V264 C265 K266 | V264-T268 WeakPolarHBondContact O-CB 3.45Å; V264-T268 WeakPolarHBondContact O-CG2 3.49Å; V264-T268 PolarHBondContact O-N 3.04Å; V264-T268 PolarHBondContact O-OG1 2.92Å; C265-T268 WeakPolarHBondContact CA-OG1 3.35Å; C265-T268 PolarHBondContact O-N 3.47Å; C265-T268 PolarHBondContact O-OG1 3.38Å; K266-T268 VanDerWaalsContact C-N 3.33Å; K266-T268 PolarHBondContact O-N 3.46Å |
| 269 | F | 65.5 | Low | 63.6 | Low | 166 Ų | 166 | 125.9 Ų | 125.9 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -95.2 | -17.4 | -179.2 | -71.2 | -74.6 | 0 | 0 | 0 | 114.7 | C265 | C265-F269 HydrophobicContact CB-CD2 4.32Å; C265-F269 WeakPolarHBondContact O-CB 3.44Å; C265-F269 WeakPolarHBondContact O-CD2 3.44Å; C265-F269 PolarHBondContact O-N 2.93Å |
| 270 | L | 58.7 | Low | 61.2 | Low | 132 Ų | 132 | 129.7 Ų | 129.7 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | trans | -137 | 92 | 170.3 | -85.9 | 108.8 | 0 | 0 | 0 | 111.5 | K266 N272 | K266-L270 PolarHBondContact O-N 3.46Å; L270-N272 PolarHBondContact O-N 3.09Å | ||
| 271 | P | 52.7 | Low | 58.8 | Low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | trans | -68.6 | 128.8 | 161.6 | 29.9 | -28.6 | 0 | 0 | 0 | 107.6 | E273 | P271-E273 PolarHBondContact O-N 2.91Š| ||
| 272 | N | 45.9 | Very low | 56.3 | Low | 167 Ų | 167 | 137.8 Ų | 137.8 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | trans | -53.9 | 106.2 | 171.9 | -94.2 | -54.6 | 0 | 0 | 0 | 109.3 | L270 K274 | L270-N272 PolarHBondContact O-N 3.09Å; N272-K274 PolarHBondContact O-N 3.33Å | ||
| 273 | E | 45.6 | Very low | 53.7 | Low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | -64.9 | 116.7 | 161 | -79.5 | -159 | 157.7 | 0 | 0 | 107.6 | P271 L275 | P271-E273 PolarHBondContact O-N 2.91Å; E273-L275 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact O-N 3.09Å | ||
| 274 | K | 43.8 | Very low | 51.3 | Low | 196 Ų | 196 | 136.6 Ų | 136.6 | 85% | 0.852 | 72% | 0.716 | S | S | * | * | trans | -64.9 | 107.7 | 161 | -71.5 | -178.1 | 178.1 | 179.8 | 0 | 106.6 | N272 P276 | N272-K274 PolarHBondContact O-N 3.33Å; K274-P276 WeakPolarHBondContact O-CD 3.49Å | ||
| 275 | L | 44 | Very low | 48.8 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -55.6 | 120.7 | 170.6 | -149.5 | 85.3 | 0 | 0 | 0 | 108.4 | E273 S277 | E273-L275 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact O-N 3.09Å; L275-S277 PolarHBondContact O-N 3.36Å | ||
| 276 | P | 39.6 | Very low | 46.8 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | trans | -69.1 | 130.2 | -178.8 | -15.2 | 28.8 | 0 | 0 | 0 | 110.3 | K274 Y278 | K274-P276 WeakPolarHBondContact O-CD 3.49Å; P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 PolarHBondContact O-N 3.07Å | ||
| 277 | S | 44.2 | Very low | 45.3 | Very low | 132 Ų | 132 | 146 Ų | 146 | 92% | 0.923 | 76% | 0.759 | S | S | * | * | trans | -72.8 | 80.5 | 170 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | L275 | L275-S277 PolarHBondContact O-N 3.36Š| ||
| 278 | Y | 39 | Very low | 43.3 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 70% | 0.698 | 77% | 0.773 | S | S | * | * | trans | -144.5 | 91.1 | 165.6 | 170.2 | -96.6 | 0 | 0 | 0 | 107.3 | P276 | P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 PolarHBondContact O-N 3.07Å | ||
| 279 | F | 42.8 | Very low | 41.6 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -179.4 | 67.5 | 152 | -86.1 | -61.8 | 0 | 0 | 0 | 106 | ||||
| 280 | K | 41.2 | Very low | 40 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -122.3 | 141.3 | 156.6 | -93.6 | -174.8 | 173.9 | -179.6 | 0 | 105.8 | ||||
| 281 | E | 35.6 | Very low | 38.7 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 74.5 | 130.5 | -173.4 | -94.5 | 125.9 | 170.2 | 0 | 0 | 115 | ||||
| 282 | Q | 36.1 | Very low | 37.7 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -169.3 | 151.7 | 22.4 | -162.1 | 172.5 | -8.5 | 0 | 0 | 111.5 | ||||
| 283 | D | 30.9 | Very low | 36.9 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 44.5 | 135.2 | 156.1 | -80.8 | -17.8 | 0 | 0 | 0 | 120.7 | ||||
| 284 | G | 30.9 | Very low | 36.3 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | 168.5 | 163.8 | 10.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 285 | D | 30.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | 90.2 | 99.3 | 165.4 | -92.9 | 0.6 | 0 | 0 | 0 | 123.2 | ||||
| 286 | Y | 37.9 | Very low | 35.2 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | 87 | 147.9 | 140 | -64.2 | -51.3 | 0 | 0 | 0 | 121.9 | ||||
| 287 | P | 46.9 | Very low | 34.7 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | -124.9 | 171.3 | -119.1 | 43.4 | -33.6 | 0 | 0 | 0 | 116 | |||||
| 288 | C | 30.6 | Very low | 34 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -165.5 | 110.6 | 132 | -111 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 289 | L | 31.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 0.8 | 137.6 | 138.8 | -63.2 | 166.3 | 0 | 0 | 0 | 116.1 | ||||
| 290 | I | 32.5 | Very low | 33.7 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | -158.2 | 121.9 | 29.4 | -67.3 | -168.3 | 0 | 0 | 0 | 105.7 | ||||
| 291 | V | 29.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | 64.9 | 118.4 | 88.1 | 179.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 292 | S | 32.3 | Very low | 33 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | 65 | 150.7 | 150 | -75.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 293 | E | 29.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -174.1 | 152.2 | -14 | -120.3 | 168.8 | 131.2 | 0 | 0 | 105 | ||||
| 294 | L | 33.2 | Very low | 32.8 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 50.2 | 131.7 | 150.2 | -101.3 | 68.5 | 0 | 0 | 0 | 122.9 | ||||
| 295 | D | 32.2 | Very low | 33.3 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | 84.5 | 141.7 | 139.1 | -72.6 | -15.1 | 0 | 0 | 0 | 121.4 | ||||
| 296 | Q | 31.7 | Very low | 33.5 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 82.5 | 89.5 | 166.5 | -120.4 | 68.4 | 27.6 | 0 | 0 | 117.6 | ||||
| 297 | C | 30.5 | Very low | 33.4 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 92% | 0.919 | 76% | 0.762 | S | S | * | * | trans | -79.9 | 109.8 | 148.8 | -70.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 298 | D | 30 | Very low | 32.8 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -138.1 | 152.5 | 153.4 | -117.6 | -12.4 | 0 | 0 | 0 | 108.2 | ||||
| 299 | P | 41.3 | Very low | 32.8 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -82.1 | 140.5 | -143.1 | 31.1 | -36.2 | 0 | 0 | 0 | 113.9 | M301 | P299-M301 PolarHBondContact O-N 3.35Š| ||
| 300 | V | 33.2 | Very low | 32.7 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -64.8 | 112.1 | 171.8 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | I302 | V300-I302 HydrophobicContact CG1-CG1 4.08Å; V300-I302 PolarHBondContact O-N 3.29Å | ||
| 301 | M | 27.8 | Very low | 32.6 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -75.3 | 107.2 | 165 | -160.8 | -156.8 | -43.6 | 0 | 0 | 108.3 | P299 V303 | P299-M301 PolarHBondContact O-N 3.35Å; M301-V303 HydrophobicContact CG-CG2 4.14Å; M301-V303 PolarHBondContact O-N 3.44Å; M301-V303 HydrophobicContact SD-CG2 3.6Å; M301-V303 VanDerWaalsContact SD-CG2 3.6Å | ||
| 302 | I | 35.3 | Very low | 32.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -83 | 99.4 | 169.8 | -59.9 | 176.5 | 0 | 0 | 0 | 107.5 | V300 | V300-I302 HydrophobicContact CG1-CG1 4.08Å; V300-I302 PolarHBondContact O-N 3.29Å | ||
| 303 | V | 32.4 | Very low | 32.9 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | -92 | 121.2 | 163.2 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | M301 | M301-V303 HydrophobicContact CG-CG2 4.14Å; M301-V303 PolarHBondContact O-N 3.44Å; M301-V303 HydrophobicContact SD-CG2 3.6Å; M301-V303 VanDerWaalsContact SD-CG2 3.6Å | ||
| 304 | C | 30.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -108.4 | 139.4 | 161.4 | -74.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 305 | P | 39.9 | Very low | 33.5 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -88.5 | 159.1 | -163.3 | 36.2 | -35.2 | 0 | 0 | 0 | 113.5 | ||||
| 306 | E | 35.8 | Very low | 33.7 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -75.5 | 143 | 171.4 | -179.9 | 167.4 | 174.7 | 0 | 0 | 112.1 | ||||
| 307 | S | 35.5 | Very low | 33.6 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -162.7 | 121.3 | 148.7 | 40.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 308 | A | 32.9 | Very low | 33.9 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 66.9 | 100 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 309 | L | 30.8 | Very low | 34.1 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 29.7 | 115.4 | 109.9 | -128.1 | 173.3 | 0 | 0 | 0 | 118.3 | |||||
| 310 | L | 29.4 | Very low | 33.7 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | -166.8 | 144.5 | 107.8 | -128.7 | 108.2 | 0 | 0 | 0 | 114 | |||||
| 311 | E | 31.1 | Very low | 34 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -62.7 | 156.4 | -176.1 | -171.5 | 173.7 | -166 | 0 | 0 | 115.2 | ||||
| 312 | I | 32.2 | Very low | 35.2 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | trans | 172.9 | 112.9 | 131.8 | -80.4 | 149.1 | 0 | 0 | 0 | 109.2 | ||||
| 313 | N | 35.4 | Very low | 35.2 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -75.3 | 154.3 | 157.5 | -82.6 | -38.1 | 0 | 0 | 0 | 108.8 | ||||
| 314 | P | 42.8 | Very low | 35.1 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | -156 | 158.6 | 67.9 | 38.3 | -15.9 | 0 | 0 | 0 | 119.1 | |||||
| 315 | A | 32.9 | Very low | 35.2 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 54.1 | 139.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 316 | V | 35.4 | Very low | 35.1 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 140 | 115.6 | 126.3 | 171.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 317 | D | 31.1 | Very low | 35.2 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 52.4 | 152 | 143 | -77.1 | -30.8 | 0 | 0 | 0 | 122.2 | ||||
| 318 | S | 35.3 | Very low | 34.9 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -175.6 | 150.7 | -7 | -113.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 319 | A | 35.5 | Very low | 35 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | 167.6 | 87.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 320 | A | 33.6 | Very low | 35.2 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | -0.6 | 152.4 | 126.2 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 321 | L | 38.5 | Very low | 35.4 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | cis | -176.2 | -177.8 | 36.4 | -97.1 | 146 | 0 | 0 | 0 | 108.6 | ||||
| 322 | P | 52.1 | Low | 35.6 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | -150 | -179.2 | -60.3 | 46.4 | -26.3 | 0 | 0 | 0 | 118.1 | |||||
| 323 | A | 35.7 | Very low | 35.9 | Very low | 106 Ų | 106 | 128 Ų | 128 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | trans | 96.2 | 127.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 324 | G | 30.8 | Very low | 35.9 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 140.2 | 77.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 325 | L | 33.6 | Very low | 35.6 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | 53.7 | 123.6 | 100.8 | -70.3 | 169.3 | 0 | 0 | 0 | 112.8 | |||||
| 326 | D | 37.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | cis | -159.2 | 139.2 | 30.5 | -87.3 | -46.1 | 0 | 0 | 0 | 108.9 | ||||
| 327 | Q | 36.5 | Very low | 35.8 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 72.4 | 136.5 | 103.1 | -148.2 | 168 | 38 | 0 | 0 | 114.4 | |||||
| 328 | D | 30.6 | Very low | 36.1 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | cis | -161 | 127.5 | -9.2 | -115.5 | -30.7 | 0 | 0 | 0 | 103 | ||||
| 329 | R | 34.6 | Very low | 36.3 | Very low | 222 Ų | 222 | 132.2 Ų | 132.2 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | 88.4 | 118.3 | 91.4 | -138.1 | -173.3 | -172.4 | -172.7 | 2 | 116.3 | |||||
| 330 | S | 35.4 | Very low | 36.3 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 63.7 | 136.6 | 148.4 | 77 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 331 | G | 32.8 | Very low | 36.7 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | cis | 141.9 | 160.9 | 14.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 332 | R | 36.1 | Very low | 36.6 | Very low | 217 Ų | 217 | 129.8 Ų | 129.8 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | trans | 81.4 | 117.1 | 153.1 | -70.3 | -167.8 | 143.9 | 152.4 | 1.9 | 120.4 | ||||
| 333 | H | 37.1 | Very low | 36 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | 71.7 | 111 | 121 | -61.9 | -41.9 | 0 | 0 | 0 | 117.4 | |||||
| 334 | S | 36.8 | Very low | 36.5 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 100.1 | 101.9 | 91.8 | -73.7 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 335 | R | 36.4 | Very low | 36.8 | Very low | 223 Ų | 223 | 133 Ų | 133 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | 77.3 | 116.3 | 99.8 | -92.8 | -168.8 | 176.1 | 163.3 | 0.7 | 113.7 | |||||
| 336 | Q | 39.4 | Very low | 37.4 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | 98.7 | 126.1 | 133.4 | -75.3 | -178.7 | -12.5 | 0 | 0 | 119.7 | ||||
| 337 | N | 32.2 | Very low | 37.5 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 74.6 | 141.9 | 142.5 | -61.2 | -2.8 | 0 | 0 | 0 | 115.7 | ||||
| 338 | S | 38.3 | Very low | 38.1 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | 177.1 | 146.9 | 0.7 | 42.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 339 | S | 39.1 | Very low | 38.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 70.1 | 129.2 | 141.8 | -50.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 340 | S | 34.8 | Very low | 38.5 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 70 | 152.3 | 144.8 | 118.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 341 | S | 42.3 | Very low | 38.4 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | 174.7 | 152.7 | -7 | 45.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 342 | G | 36.1 | Very low | 38.5 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 90.7 | 106.1 | 163 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 343 | D | 39.9 | Very low | 38.7 | Very low | 156 Ų | 156 | 123.3 Ų | 123.3 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | 84.8 | 133.7 | 68 | -166.2 | 32.7 | 0 | 0 | 0 | 114.4 | |||||
| 344 | S | 46.3 | Very low | 38.5 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 77.3 | 134.5 | 159 | 72.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 345 | G | 37.2 | Very low | 38.2 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 154.1 | 83.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 346 | V | 46.2 | Very low | 38 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 147.1 | 172.6 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 347 | Y | 38.4 | Very low | 37.7 | Very low | 245 Ų | 245 | 118.2 Ų | 118.2 | 96% | 0.961 | 79% | 0.791 | S | S | * | * | trans | -153.4 | 141.1 | 137.9 | -82.9 | -65.4 | 0 | 0 | 0 | 112.9 | ||||
| 348 | S | 50.2 | Low | 38.1 | Very low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -93.6 | 160.3 | -172.7 | -46.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 349 | A | 40.8 | Very low | 37.6 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -171.5 | 121.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 350 | G | 32.7 | Very low | 37.2 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | 96.1 | 126.3 | 58.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 351 | G | 33.7 | Very low | 36.9 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | 175.9 | 172.6 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 352 | N | 35.4 | Very low | 36.2 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | 70.5 | 141.5 | 157.8 | -75.3 | 26.6 | 0 | 0 | 0 | 119.8 | ||||
| 353 | S | 39.5 | Very low | 35.7 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | cis | -173.1 | 156.5 | 11.9 | 28.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 354 | A | 33.4 | Very low | 35 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | 70.6 | 136.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 355 | G | 30.3 | Very low | 34.1 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 176.7 | 172.1 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 356 | L | 32 | Very low | 33.5 | Very low | 182 Ų | 182 | 132 Ų | 132 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | 83.7 | 113.5 | 161.7 | -76.9 | 145.9 | 0 | 0 | 0 | 121.5 | ||||
| 357 | Q | 32.3 | Very low | 32.7 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -80.6 | 174 | 154.6 | -73.7 | -147.8 | -20 | 0 | 0 | 111.8 | ||||
| 358 | P | 40.4 | Very low | 32.3 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | -134.4 | 159.6 | 92 | 26.8 | -8.4 | 0 | 0 | 0 | 115.6 | |||||
| 359 | K | 29.3 | Very low | 31.5 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -93.5 | 136 | -175.1 | -163.7 | 179.5 | -169.8 | 178.9 | 0 | 109.8 | ||||
| 360 | V | 30.4 | Very low | 30.7 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -137 | 122 | 152.3 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 361 | A | 27.2 | Very low | 30.5 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | trans | -105.2 | 135.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 362 | L | 28 | Very low | 30.1 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -137.8 | 109.7 | 154.7 | -83.6 | 170.6 | 0 | 0 | 0 | 108 | ||||
| 363 | T | 25.1 | Very low | 30 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 144.4 | 164.8 | -24.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 364 | F | 26.1 | Very low | 29.5 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | 176.9 | 122.4 | 123 | -97.7 | -72.6 | 0 | 0 | 0 | 112.1 | |||||
| 365 | T | 27.4 | Very low | 29.4 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 66.1 | 89.3 | 143 | 46.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 366 | D | 25.1 | Very low | 29.4 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -7 | 116.8 | 121.9 | -144.4 | -2.4 | 0 | 0 | 0 | 117.4 | |||||
| 367 | V | 29.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -145.9 | 109 | 156.5 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 368 | N | 30.4 | Very low | 29 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -59.4 | 151.6 | 166.6 | -105.9 | -22.1 | 0 | 0 | 0 | 111.4 | ||||
| 369 | P | 32.7 | Very low | 28.6 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -136.1 | 127.3 | 120.9 | 30.3 | -14.5 | 0 | 0 | 0 | 114 | |||||
| 370 | T | 25.1 | Very low | 28.7 | Very low | 127 Ų | 127 | 147 Ų | 147 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -18.8 | 127.6 | 152.1 | -31.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 371 | F | 27.1 | Very low | 28.6 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -51.6 | 130.3 | 160.1 | -116.7 | -108 | 0 | 0 | 0 | 111.4 | ||||
| 372 | N | 26.6 | Very low | 28.8 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -138.9 | 120.3 | 154.3 | -107 | -13.5 | 0 | 0 | 0 | 109.3 | ||||
| 373 | S | 31.5 | Very low | 28.9 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 116.2 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 374 | E | 30 | Very low | 29.2 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -132.1 | 116.3 | 169.3 | -138.3 | 169.8 | 176.3 | 0 | 0 | 110.9 | ||||
| 375 | K | 31.5 | Very low | 29.3 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -66.3 | 118.7 | 178.3 | -173.1 | -178.2 | -172.5 | 179.5 | 0 | 108.8 | ||||
| 376 | L | 29.5 | Very low | 29.4 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -129.2 | 124.3 | 166.4 | -114.2 | 109.6 | 0 | 0 | 0 | 112.1 | ||||
| 377 | N | 28.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 139.7 | -175.6 | -68.2 | -47.7 | 0 | 0 | 0 | 112.5 | L379 | N377-L379 PolarHBondContact O-N 3.31Š|
| 378 | M | 27.8 | Very low | 29.7 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 93% | 0.931 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126.4 | 161.7 | -78.4 | -164.3 | -73.9 | 0 | 0 | 110.2 | ||
| 379 | L | 32.3 | Very low | 30 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 119.6 | 158.2 | -83 | 164 | 0 | 0 | 0 | 108.4 | N377 | N377-L379 PolarHBondContact O-N 3.31Š|
| 380 | S | 31.3 | Very low | 30 | Very low | 101 Ų | 101 | 154.6 Ų | 154.6 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 130.7 | 172 | 55 | 0 | 0 | 0 | 0 | 111.7 | ||
| 381 | M | 27.7 | Very low | 30.5 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -117.6 | 107.1 | 157 | -96.7 | 177.1 | 145.6 | 0 | 0 | 108.5 | ||||
| 382 | N | 31.2 | Very low | 31.1 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -67.4 | 129.8 | 165.8 | -76.7 | -7.8 | 0 | 0 | 0 | 109.2 | ||||
| 383 | S | 31.2 | Very low | 31.4 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -130 | 105.3 | 156.1 | 39.5 | 0 | 0 | 0 | 0 | 108.7 | I385 | S383-I385 PolarHBondContact O-N 3.44Š| ||
| 384 | E | 30.3 | Very low | 31.8 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -59.8 | 123.1 | 169.2 | -68.6 | 174 | 148.3 | 0 | 0 | 109.6 | ||||
| 385 | I | 29.3 | Very low | 32 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -111 | 109.3 | 163.7 | -63.5 | 177.2 | 0 | 0 | 0 | 107.5 | S383 V387 | S383-I385 PolarHBondContact O-N 3.44Å; I385-V387 HydrophobicContact CG2-CG2 4.42Å; I385-V387 PolarHBondContact O-N 3.22Å | ||
| 386 | K | 28.8 | Very low | 32.3 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -77.2 | 112.4 | 175.9 | -163.9 | 176.9 | -172.3 | 179.5 | 0 | 108.5 | ||||
| 387 | V | 30.7 | Very low | 32.9 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 123.3 | 174.1 | 179.5 | 0 | 0 | 0 | 0 | 109 | I385 | I385-V387 HydrophobicContact CG2-CG2 4.42Å; I385-V387 PolarHBondContact O-N 3.22Å |
| 388 | S | 30.3 | Very low | 33.5 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 146.6 | 171.5 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 389 | P | 36.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 140.2 | -176.9 | 30.1 | -31.6 | 0 | 0 | 0 | 112.7 | ||
| 390 | I | 33 | Very low | 34.6 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 133.4 | 172.8 | -75.7 | 161.1 | 0 | 0 | 0 | 109.3 | ||
| 391 | V | 34.2 | Very low | 35.3 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 76% | 0.764 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133.6 | 173.1 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 392 | P | 39.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 134.3 | 172 | 30.9 | -29.2 | 0 | 0 | 0 | 111.3 | ||
| 393 | D | 34.7 | Very low | 35.9 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128.1 | 176.9 | -158.7 | 18 | 0 | 0 | 0 | 109.9 | ||
| 394 | E | 38.4 | Very low | 36.1 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 84% | 0.836 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132.5 | 177.4 | -89.4 | -177.5 | 152.2 | 0 | 0 | 110.5 | ||
| 395 | G | 34.8 | Very low | 36.5 | Very low | 76 Ų | 76 | 150.1 Ų | 150.1 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67 | 136.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 396 | V | 38.3 | Very low | 36.9 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -79 | 120.9 | 170.7 | 175 | 0 | 0 | 0 | 0 | 108.6 | ||
| 397 | E | 41.3 | Very low | 37.5 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 128.8 | 165.1 | -74.4 | -160.1 | 157.5 | 0 | 0 | 110.2 | ||
| 398 | D | 40.8 | Very low | 37.9 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 123 | 169.3 | -73.3 | -42.3 | 0 | 0 | 0 | 110 | ||
| 399 | I | 41.4 | Very low | 38.5 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -90 | 120.4 | 171.2 | -73.5 | 170.8 | 0 | 0 | 0 | 108.6 | V401 | I399-V401 HydrophobicContact CG2-CG2 4.2Š|
| 400 | E | 43 | Very low | 38.7 | Very low | 190 Ų | 190 | 154 Ų | 154 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.4 | 162.7 | -76.1 | -178.5 | 147.4 | 0 | 0 | 110.6 | ||
| 401 | V | 44.7 | Very low | 39.2 | Very low | 205 Ų | 205 | 153 Ų | 153 | 100% | 1.242 | 86% | 0.858 | S | S | * | * | trans | -137 | 0 | 152.7 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | I399 | I399-V401 HydrophobicContact CG2-CG2 4.2Š|
Retrieved 401 of 401 residues in 839.3 ms
(Link to these results)