| 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 | 39.9 | Very low | 57.1 | Low | 239 Ų | 239 | 138.4 Ų | 138.4 | 100% | 1.177 | 73% | 0.732 | S | S | * | * | 0 | 107.4 | 0 | -77.6 | 76 | 151.3 | 0 | 0 | 109.3 | |||||
| 2 | G | 44.9 | Very low | 57.8 | Low | 79 Ų | 79 | 137.8 Ų | 137.8 | 81% | 0.814 | 71% | 0.712 | S | S | * | * | trans | -114.7 | 100.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110 | R4 | G2-R4 PolarHBondContact O-N 3.06Š| ||
| 3 | S | 47.7 | Very low | 58.5 | Low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | trans | -76.7 | 105.8 | 177 | 23.6 | 0 | 0 | 0 | 0 | 109.7 | R5 | S3-R5 PolarHBondContact O-N 3.49Š| ||
| 4 | R | 52.9 | Low | 59.2 | Low | 250 Ų | 250 | 128.9 Ų | 128.9 | 94% | 0.943 | 68% | 0.683 | S | S | * | * | trans | -62.8 | 101.8 | 168.9 | -77.3 | -177.1 | 174.8 | -170.3 | -1.5 | 108.7 | G2 G6 | G2-R4 PolarHBondContact O-N 3.06Å; R4-G6 PolarHBondContact O-N 2.85Å | ||
| 5 | R | 58.3 | Low | 59.5 | Low | 240 Ų | 240 | 125.3 Ų | 125.3 | 91% | 0.906 | 66% | 0.664 | S | S | * | * | trans | -70.1 | 106.5 | 164.9 | -74.2 | 178.5 | -150.3 | -129.3 | -0.1 | 107.4 | S3 | S3-R5 PolarHBondContact O-N 3.49Š| ||
| 6 | G | 63.2 | Low | 59.7 | Low | 47 Ų | 47 | 125.4 Ų | 125.4 | 49% | 0.485 | 66% | 0.659 | S | S | . | * | trans | -63.5 | 163.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | R4 W8 | R4-G6 PolarHBondContact O-N 2.85Å; G6-W8 PolarHBondContact O-N 3.29Å | ||
| 7 | P | 61.6 | Low | 59.7 | Low | 87 Ų | 87 | 125.9 Ų | 125.9 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -78.1 | 44.8 | -174.6 | 36.4 | -36.2 | 0 | 0 | 0 | 111.4 | P9 L10 V11 | P7-P9 VanDerWaalsContact C-N 3.31Å; P7-L10 HydrophobicContact CB-CB 4.44Å; P7-L10 HydrophobicContact CB-CD1 4.06Å; P7-L10 PolarHBondContact O-N 2.84Å; P7-V11 PolarHBondContact O-N 2.85Å |
| 8 | W | 61.4 | Low | 59.7 | Low | 176 Ų | 176 | 122.3 Ų | 122.3 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -49.3 | -42.9 | 176.9 | -147.7 | -115.3 | 0 | 0 | 0 | 113.3 | G6 L10 V11 W12 | G6-W8 PolarHBondContact O-N 3.29Å; W8-L10 VanDerWaalsContact C-N 3.27Å; W8-L10 PolarHBondContact O-N 3.44Å; W8-V11 PolarHBondContact O-N 2.82Å; W8-W12 AromaticContact CD1-CD1 3.4Å; W8-W12 VanDerWaalsContact CD1-CD1 3.4Å; W8-W12 AromaticContact CD1-NE1 3.34Å; W8-W12 VanDerWaalsContact CD1-NE1 3.34Å; W8-W12 AromaticContact CE2-NE1 3.68Å; W8-W12 AromaticContact NE1-CD1 3.56Å; W8-W12 AromaticContact NE1-NE1 2.99Å; W8-W12 VanDerWaalsContact O-CD1 3.28Å; W8-W12 PolarHBondContact O-N 3.37Å |
| 9 | P | 65.9 | Low | 59.5 | Low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.5 | -28.4 | 179.4 | 23.6 | -33.5 | 0 | 0 | 0 | 113.6 | P7 A13 | P7-P9 VanDerWaalsContact C-N 3.31Å; P9-A13 WeakPolarHBondContact O-CB 3.03Å; P9-A13 PolarHBondContact O-N 2.84Å |
| 10 | L | 64.7 | Low | 59.1 | Low | 122 Ų | 122 | 129.2 Ų | 129.2 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.8 | -39.2 | 175.9 | -73.7 | 166 | 0 | 0 | 0 | 111.3 | P7 W8 W12 A13 V14 | P7-L10 HydrophobicContact CB-CB 4.44Å; P7-L10 HydrophobicContact CB-CD1 4.06Å; P7-L10 PolarHBondContact O-N 2.84Å; W8-L10 VanDerWaalsContact C-N 3.27Å; W8-L10 PolarHBondContact O-N 3.44Å; L10-W12 VanDerWaalsContact C-N 3.33Å; L10-W12 PolarHBondContact O-N 3.41Å; L10-A13 PolarHBondContact O-N 2.77Å; L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 3.22Å |
| 11 | V | 67.9 | Low | 58.6 | Low | 75 Ų | 75 | 127 Ų | 127 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.5 | -40 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | P7 W8 V14 L15 | P7-V11 PolarHBondContact O-N 2.85Å; W8-V11 PolarHBondContact O-N 2.82Å; V11-V14 PolarHBondContact O-N 2.92Å; V11-L15 PolarHBondContact O-N 2.82Å |
| 12 | W | 65.6 | Low | 59.2 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.1 | -39.3 | 174 | -86.2 | 93.8 | 0 | 0 | 0 | 113.2 | W8 L10 L15 Q16 | W8-W12 AromaticContact CD1-CD1 3.4Å; W8-W12 VanDerWaalsContact CD1-CD1 3.4Å; W8-W12 AromaticContact CD1-NE1 3.34Å; W8-W12 VanDerWaalsContact CD1-NE1 3.34Å; W8-W12 AromaticContact CE2-NE1 3.68Å; W8-W12 AromaticContact NE1-CD1 3.56Å; W8-W12 AromaticContact NE1-NE1 2.99Å; W8-W12 VanDerWaalsContact O-CD1 3.28Å; W8-W12 PolarHBondContact O-N 3.37Å; L10-W12 VanDerWaalsContact C-N 3.33Å; L10-W12 PolarHBondContact O-N 3.41Å; W12-L15 PolarHBondContact O-N 3.34Å; W12-Q16 WeakPolarHBondContact O-CG 3.36Å; W12-Q16 PolarHBondContact O-N 2.91Å |
| 13 | A | 66.6 | Low | 59.4 | Low | 46 Ų | 46 | 126 Ų | 126 | 38% | 0.38 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P9 L10 Q16 L17 | P9-A13 WeakPolarHBondContact O-CB 3.03Å; P9-A13 PolarHBondContact O-N 2.84Å; L10-A13 PolarHBondContact O-N 2.77Å; A13-Q16 PolarHBondContact O-N 2.93Å; A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.32Å |
| 14 | V | 68.6 | Low | 59.5 | Low | 104 Ų | 104 | 128.5 Ų | 128.5 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69 | -38.5 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L10 V11 L17 G18 | L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 3.22Å; V11-V14 PolarHBondContact O-N 2.92Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-G18 PolarHBondContact O-N 2.94Å |
| 15 | L | 64 | Low | 59.3 | Low | 76 Ų | 76 | 124.6 Ų | 124.6 | 40% | 0.398 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -65 | -37.9 | 175.2 | -123.7 | 95.2 | 0 | 0 | 0 | 112.3 | V11 W12 G18 W19 | V11-L15 PolarHBondContact O-N 2.82Å; W12-L15 PolarHBondContact O-N 3.34Å; L15-G18 PolarHBondContact O-N 3.28Å; L15-W19 HydrophobicContact CD2-CH2 3.69Å; L15-W19 HydrophobicContact CD2-CZ2 3.61Å; L15-W19 HydrophobicContact CD2-CZ3 4.31Å; L15-W19 HydrophobicContact CG-CZ2 4.47Å; L15-W19 PolarHBondContact O-N 2.93Å |
| 16 | Q | 62.6 | Low | 58.5 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 59% | 0.593 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.4 | -32.9 | 176.4 | -74.5 | -160.2 | -15.3 | 0 | 0 | 112.8 | W12 A13 G18 | W12-Q16 WeakPolarHBondContact O-CG 3.36Å; W12-Q16 PolarHBondContact O-N 2.91Å; A13-Q16 PolarHBondContact O-N 2.93Å; Q16-G18 VanDerWaalsContact C-N 3.33Å |
| 17 | L | 59.6 | Low | 57.7 | Low | 134 Ų | 134 | 122.3 Ų | 122.3 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.9 | -24.2 | 173.4 | -71.3 | 166.8 | 0 | 0 | 0 | 112.8 | A13 V14 | A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.32Å; V14-L17 PolarHBondContact O-N 2.85Å |
| 18 | G | 59.8 | Low | 57 | Low | 60 Ų | 60 | 123.5 Ų | 123.5 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -6.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V14 L15 Q16 | V14-G18 PolarHBondContact O-N 2.94Å; L15-G18 PolarHBondContact O-N 3.28Å; Q16-G18 VanDerWaalsContact C-N 3.33Å |
| 19 | W | 56.2 | Low | 56.5 | Low | 184 Ų | 184 | 120.5 Ų | 120.5 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 16.3 | -177.3 | -72.7 | -9.6 | 0 | 0 | 0 | 114.4 | L15 P21 | L15-W19 HydrophobicContact CD2-CH2 3.69Å; L15-W19 HydrophobicContact CD2-CZ2 3.61Å; L15-W19 HydrophobicContact CD2-CZ3 4.31Å; L15-W19 HydrophobicContact CG-CZ2 4.47Å; L15-W19 PolarHBondContact O-N 2.93Å; W19-P21 VanDerWaalsContact O-CD 3.25Å; W19-P21 WeakPolarHBondContact O-CD 3.31Å |
| 20 | W | 50.8 | Low | 55.7 | Low | 198 Ų | 198 | 124 Ų | 124 | 75% | 0.75 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -73.2 | 112 | 161.9 | -74 | 63 | 0 | 0 | 0 | 106.7 | G22 | W20-G22 PolarHBondContact O-N 3.39Š|
| 21 | P | 49 | Very low | 55.1 | Low | 85 Ų | 85 | 123.9 Ų | 123.9 | 55% | 0.552 | 66% | 0.658 | S | S | * | * | trans | -61.9 | 143.8 | 176 | 3.5 | 10.7 | 0 | 0 | 0 | 107.1 | W19 W23 | W19-P21 VanDerWaalsContact O-CD 3.25Å; W19-P21 WeakPolarHBondContact O-CD 3.31Å; P21-W23 VanDerWaalsContact CB-CD1 3.43Å; P21-W23 VanDerWaalsContact O-CD1 3.26Å; P21-W23 PolarHBondContact O-N 2.97Å | ||
| 22 | G | 51.2 | Low | 54.5 | Low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -65 | 61.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | W20 L24 | W20-G22 PolarHBondContact O-N 3.39Å; G22-L24 PolarHBondContact O-N 3.3Å |
| 23 | W | 50.7 | Low | 54.2 | Low | 215 Ų | 215 | 119.6 Ų | 119.6 | 81% | 0.814 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 6.2 | 172.6 | -66.6 | 97.5 | 0 | 0 | 0 | 112.4 | P21 | P21-W23 VanDerWaalsContact CB-CD1 3.43Å; P21-W23 VanDerWaalsContact O-CD1 3.26Å; P21-W23 PolarHBondContact O-N 2.97Å |
| 24 | L | 48.7 | Very low | 54.8 | Low | 159 Ų | 159 | 122.2 Ų | 122.2 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 13.2 | -177.5 | -85.1 | 160.9 | 0 | 0 | 0 | 113.9 | G22 | G22-L24 PolarHBondContact O-N 3.3Š|
| 25 | L | 49.9 | Very low | 55.9 | Low | 169 Ų | 169 | 117.4 Ų | 117.4 | 89% | 0.885 | 62% | 0.622 | S | S | * | * | trans | -113.1 | 23.2 | 165.4 | -108.8 | 99.7 | 0 | 0 | 0 | 112.7 | S27 | L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.45Å; L25-S27 VanDerWaalsContact O-N 3.07Å | ||
| 26 | D | 41.1 | Very low | 57.4 | Low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -70.2 | 101.2 | 149.9 | -127.3 | 3 | 0 | 0 | 0 | 104.9 | ||
| 27 | S | 45.2 | Very low | 59 | Low | 91 Ų | 91 | 111.6 Ų | 111.6 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | trans | -48 | 127.6 | 164.5 | 178.3 | 0 | 0 | 0 | 0 | 105.5 | L25 D29 | L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.45Å; L25-S27 VanDerWaalsContact O-N 3.07Å; S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 3.37Å | ||
| 28 | P | 47.2 | Very low | 60.8 | Low | 113 Ų | 113 | 107.7 Ų | 107.7 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | trans | -57.8 | 113 | 168.6 | 25.9 | -29.2 | 0 | 0 | 0 | 103.9 | R30 | P28-R30 VanDerWaalsContact C-N 3.35Å; P28-R30 PolarHBondContact O-N 2.95Å | ||
| 29 | D | 51.8 | Low | 62.7 | Low | 113 Ų | 113 | 107.5 Ų | 107.5 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | trans | -42.1 | 110.9 | 168.2 | -93.4 | -51.3 | 0 | 0 | 0 | 105.2 | S27 W32 | S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 3.37Å; D29-W32 PolarHBondContact OD1-NE1 3.29Å | ||
| 30 | R | 48.9 | Very low | 64.6 | Low | 174 Ų | 174 | 102 Ų | 102 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | trans | -45.7 | 133.8 | 171.2 | 170.2 | 179.7 | -71.5 | -115 | -1.6 | 104.8 | P28 W32 | P28-R30 VanDerWaalsContact C-N 3.35Å; P28-R30 PolarHBondContact O-N 2.95Å; R30-W32 VanDerWaalsContact O-CG 3.29Å; R30-W32 PolarHBondContact O-N 3.07Å; R30-W32 PolarHBondContact O-NE1 2.93Å | ||
| 31 | P | 51.9 | Low | 66.9 | Low | 119 Ų | 119 | 99.5 Ų | 99.5 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | trans | -56.7 | 97.8 | 175.4 | -19.6 | 30.1 | 0 | 0 | 0 | 107 | S33 | P31-S33 PolarHBondContact O-N 3.24Å; P31-S33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | W | 55.7 | Low | 69.3 | Low | 87 Ų | 87 | 97 Ų | 97 | 33% | 0.33 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 120 | -171.6 | -61.7 | 91.5 | 0 | 0 | 0 | 105.1 | D29 R30 | D29-W32 PolarHBondContact OD1-NE1 3.29Å; R30-W32 VanDerWaalsContact O-CG 3.29Å; R30-W32 PolarHBondContact O-N 3.07Å; R30-W32 PolarHBondContact O-NE1 2.93Å |
| 33 | S | 57.8 | Low | 71.5 | Confident | 30 Ų | 30 | 97.6 Ų | 97.6 | 21% | 0.21 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 126.3 | -171.3 | -66.3 | 0 | 0 | 0 | 0 | 110 | P31 L35 A57 D58 | P31-S33 PolarHBondContact O-N 3.24Å; P31-S33 VanDerWaalsContact O-N 3.11Å; S33-L35 PolarHBondContact O-N 2.93Å; S33-A57 VanDerWaalsContact CB-CB 3.43Å; S33-D58 WeakPolarHBondContact CB-OD2 3.41Å; S33-D58 PolarHBondContact OG-OD2 2.92Å |
| 34 | P | 80.9 | Confident | 73.8 | Confident | 102 Ų | 102 | 88 Ų | 88 | 66% | 0.662 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 134.4 | -173.4 | 24.3 | -32 | 0 | 0 | 0 | 110 | T36 | P34-T36 PolarHBondContact O-N 3.48Š|
| 35 | L | 91.6 | Very high | 76.1 | Confident | 2 Ų | 2 | 83.5 Ų | 83.5 | 1% | 0.01 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -61 | 133.5 | 167 | -86 | 71.3 | 0 | 0 | 0 | 108.2 | S33 S55 L56 L65 A125 N135 P138 | S33-L35 PolarHBondContact O-N 2.93Å; L35-S55 WeakPolarHBondContact CA-O 3.36Å; L35-L56 HydrophobicContact CD1-CD1 3.53Å; L35-L56 HydrophobicContact CG-CD1 4Å; L35-L65 HydrophobicContact CD2-CD1 4.19Å; L35-A125 HydrophobicContact CD1-CB 4.06Å; L35-A125 HydrophobicContact CD2-CB 3.89Å; L35-A125 HydrophobicContact CG-CB 4.49Å; L35-N135 HydrophobicContact CD1-CB 3.56Å; L35-P138 WeakPolarHBondContact O-CD 3.32Å |
| 36 | T | 94.9 | Very high | 78.4 | Confident | 69 Ų | 69 | 79 Ų | 79 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.6 | 171.4 | 68 | 0 | 0 | 0 | 0 | 110 | P34 C54 S55 | P34-T36 PolarHBondContact O-N 3.48Å; T36-C54 CarbonylContact O-C 3.52Å; T36-C54 VanDerWaalsContact O-CA 3.28Å; T36-C54 WeakPolarHBondContact O-CA 3.34Å; T36-S55 PolarHBondContact N-O 2.9Å; T36-S55 PolarHBondContact O-N 2.95Å; T36-S55 VanDerWaalsContact OG1-CB 3.26Å; T36-S55 WeakPolarHBondContact OG1-CB 3.35Å |
| 37 | F | 96.9 | Very high | 81 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 6% | 0.057 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 118.8 | 176.4 | -165.5 | -122.5 | 0 | 0 | 0 | 109.1 | F52 T53 C54 W67 M108 Y121 C123 S137 A140 | F37-F52 HydrophobicContact CD2-CB 4.23Å; F37-F52 HydrophobicContact CE1-CB 4.09Å; F37-F52 AromaticContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD2 4.41Å; F37-F52 AromaticContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE2-CB 3.41Å; F37-F52 VanDerWaalsContact CE2-CB 3.41Å; F37-F52 HydrophobicContact CE2-CG 4.12Å; F37-F52 HydrophobicContact CZ-CB 3.32Å; F37-F52 HydrophobicContact CZ-CD1 4.03Å; F37-F52 AromaticContact CZ-CD2 3.95Å; F37-F52 HydrophobicContact CZ-CD2 3.95Å; F37-F52 AromaticContact CZ-CG 3.5Å; F37-F52 HydrophobicContact CZ-CG 3.5Å; F37-T53 WeakPolarHBondContact CA-O 3.47Å; F37-C54 HydrophobicContact CD2-CB 3.94Å; F37-C54 HydrophobicContact CE2-CB 4.34Å; F37-W67 AromaticContact CZ-NE1 3.87Å; F37-M108 HydrophobicContact CD2-SD 4.44Å; F37-M108 HydrophobicContact CE2-CB 4.42Å; F37-M108 HydrophobicContact CE2-CG 4.39Å; F37-M108 HydrophobicContact CE2-SD 3.58Å; F37-M108 VanDerWaalsContact CE2-SD 3.58Å; F37-M108 HydrophobicContact CZ-SD 4.28Å; F37-Y121 WeakPolarHBondContact CE1-O 3.28Å; F37-C123 HydrophobicContact CD2-CB 4.19Å; F37-C123 HydrophobicContact CE2-CB 4.37Å; F37-S137 VanDerWaalsContact CB-OG 3.28Å; F37-S137 WeakPolarHBondContact CB-OG 3.18Å; F37-A140 HydrophobicContact CD1-CB 3.5Å; F37-A140 HydrophobicContact CE1-CB 3.67Å |
| 38 | S | 97.2 | Very high | 83.5 | Confident | 52 Ų | 52 | 74 Ų | 74 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.4 | -170.4 | 65.5 | 0 | 0 | 0 | 0 | 112.6 | F52 T53 | S38-F52 CarbonylContact O-C 3.45Å; S38-F52 WeakPolarHBondContact O-CA 3.25Å; S38-T53 PolarHBondContact N-O 3.13Å; S38-T53 PolarHBondContact O-N 2.95Å |
| 39 | P | 98.3 | Very high | 85.9 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | cis | -70 | 163.4 | -9.1 | 33.2 | -36.8 | 0 | 0 | 0 | 111.8 | Q41 L42 A140 | P39-Q41 VanDerWaalsContact C-N 3.27Å; P39-Q41 WeakPolarHBondContact CG-O 3.26Å; P39-Q41 PolarHBondContact O-N 3.44Å; P39-L42 HydrophobicContact CG-CB 4.04Å; P39-L42 HydrophobicContact CG-CD1 4.22Å; P39-A140 VanDerWaalsContact O-CB 3.24Å; P39-A140 WeakPolarHBondContact O-CB 3.02Å | ||
| 40 | A | 97.8 | Very high | 88.1 | Confident | 68 Ų | 68 | 68 Ų | 68 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -69 | -26.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | A140 E141 | A40-A140 CarbonylContact O-C 3.48Å; A40-A140 WeakPolarHBondContact O-CA 3.46Å; A40-E141 PolarHBondContact O-N 3.5Å |
| 41 | Q | 98.3 | Very high | 90.5 | Very high | 145 Ų | 145 | 62.2 Ų | 62.2 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.6 | 172.2 | -65.3 | 178.2 | 23.4 | 0 | 0 | 108.1 | P39 E141 | P39-Q41 VanDerWaalsContact C-N 3.27Å; P39-Q41 WeakPolarHBondContact CG-O 3.26Å; P39-Q41 PolarHBondContact O-N 3.44Å; Q41-E141 CarbonylContact C-O 3.56Å; Q41-E141 WeakPolarHBondContact CA-O 3.36Å; Q41-E141 HydrophobicContact CG-CB 4.25Å |
| 42 | L | 98.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.7 | 178.7 | -179.3 | 60.6 | 0 | 0 | 0 | 108.9 | P39 V44 A50 T51 F52 E141 L142 S143 | P39-L42 HydrophobicContact CG-CB 4.04Å; P39-L42 HydrophobicContact CG-CD1 4.22Å; L42-V44 HydrophobicContact CD1-CG1 4.28Å; L42-V44 HydrophobicContact CG-CG1 4.16Å; L42-A50 HydrophobicContact CD2-CB 3.99Å; L42-T51 WeakPolarHBondContact CD2-O 3.46Å; L42-F52 HydrophobicContact CB-CE1 3.67Å; L42-F52 HydrophobicContact CB-CZ 3.7Å; L42-F52 HydrophobicContact CD2-CD1 4.43Å; L42-F52 HydrophobicContact CD2-CD2 4.37Å; L42-F52 HydrophobicContact CD2-CE1 4.06Å; L42-F52 HydrophobicContact CD2-CE2 4Å; L42-F52 HydrophobicContact CD2-CZ 3.83Å; L42-F52 HydrophobicContact CG-CZ 4.4Å; L42-E141 PolarHBondContact N-O 3.02Å; L42-L142 HydrophobicContact CB-CD1 4.17Å; L42-L142 HydrophobicContact CD2-CD1 4.03Å; L42-L142 HydrophobicContact CG-CD1 4Å; L42-L142 CarbonylContact O-C 3.55Å; L42-L142 WeakPolarHBondContact O-CA 3.29Å; L42-S143 PolarHBondContact O-N 2.88Å |
| 43 | T | 98.4 | Very high | 94.7 | Very high | 93 Ų | 93 | 53.9 Ų | 53.9 | 57% | 0.571 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.1 | 175.1 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | S143 T145 | T43-S143 VanDerWaalsContact CA-O 3.27Å; T43-S143 WeakPolarHBondContact CA-O 3.49Å; T43-T145 HydrophobicContact CG2-CG2 3.95Å |
| 44 | V | 98.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.085 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 157.7 | 178.9 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | L42 E48 A50 A113 L142 S143 V144 T145 | L42-V44 HydrophobicContact CD1-CG1 4.28Å; L42-V44 HydrophobicContact CG-CG1 4.16Å; V44-E48 HydrophobicContact CB-CB 4.35Å; V44-A50 HydrophobicContact CG1-CB 4.26Å; V44-A50 HydrophobicContact CG2-CB 4.1Å; V44-A113 HydrophobicContact CG2-CB 4Å; V44-L142 HydrophobicContact CG2-CD1 4.12Å; V44-S143 PolarHBondContact N-O 2.04Å; V44-V144 HydrophobicContact CG2-CG1 4.41Å; V44-V144 HydrophobicContact CG2-CG2 4.04Å; V44-V144 CarbonylContact O-C 3.49Å; V44-V144 WeakPolarHBondContact O-CA 3.28Å; V44-T145 PolarHBondContact O-N 3.39Å; V44-T145 PolarHBondContact O-OG1 3.21Å |
| 45 | Q | 97.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 154.4 | 171.1 | -59.4 | -167.9 | 20 | 0 | 0 | 111.6 | G47 E48 T145 | Q45-G47 PolarHBondContact O-N 3.03Å; Q45-E48 HydrophobicContact CB-CG 4.08Å; Q45-E48 PolarHBondContact N-OE2 3.41Å; Q45-E48 VanDerWaalsContact O-CB 3.29Å; Q45-E48 WeakPolarHBondContact O-CB 3.22Å; Q45-E48 PolarHBondContact O-N 3.44Å; Q45-T145 CarbonylContact C-O 3.54Å |
| 46 | E | 97.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 131.1 | 174.5 | -175.2 | 172.5 | -138 | 0 | 0 | 111.3 | E48 V144 T145 R147 | E46-E48 VanDerWaalsContact C-N 3.34Å; E46-V144 HydrophobicContact CB-CG1 4.22Å; E46-T145 PolarHBondContact N-O 3.02Å; E46-R147 HydrophobicContact CB-CB 4.43Å |
| 47 | G | 96.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 48.3 Ų | 48.3 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -11.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q45 A113 | Q45-G47 PolarHBondContact O-N 3.03Å; G47-A113 PolarHBondContact N-O 3.49Å |
| 48 | E | 97.6 | Very high | 95.9 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -78.9 | 167 | 172.2 | -62.1 | -172.2 | 142 | 0 | 0 | 112 | V44 Q45 E46 A113 | V44-E48 HydrophobicContact CB-CB 4.35Å; Q45-E48 HydrophobicContact CB-CG 4.08Å; Q45-E48 PolarHBondContact N-OE2 3.41Å; Q45-E48 VanDerWaalsContact O-CB 3.29Å; Q45-E48 WeakPolarHBondContact O-CB 3.22Å; Q45-E48 PolarHBondContact O-N 3.44Å; E46-E48 VanDerWaalsContact C-N 3.34Å; E48-A113 WeakPolarHBondContact O-CB 3.37Å; E48-A113 PolarHBondContact O-N 2.68Å |
| 49 | N | 97.9 | Very high | 95.2 | Very high | 100 Ų | 100 | 52 Ų | 52 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 124 | 174.9 | -66.1 | -14.5 | 0 | 0 | 0 | 110.1 | I110 V111 A112 | N49-I110 VanDerWaalsContact CA-O 3.27Å; N49-I110 WeakPolarHBondContact CA-O 3.49Å; N49-V111 WeakPolarHBondContact OD1-CA 3.29Å; N49-A112 PolarHBondContact OD1-N 2.82Å; N49-A112 VanDerWaalsContact OD1-N 3.16Å |
| 50 | A | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L42 V44 S109 I110 L142 | L42-A50 HydrophobicContact CD2-CB 3.99Å; V44-A50 HydrophobicContact CG1-CB 4.26Å; V44-A50 HydrophobicContact CG2-CB 4.1Å; A50-S109 CarbonylContact O-C 3.59Å; A50-S109 WeakPolarHBondContact O-CA 3.49Å; A50-I110 HydrophobicContact CB-CB 4.24Å; A50-I110 HydrophobicContact CB-CD1 4.42Å; A50-I110 HydrophobicContact CB-CG1 4.34Å; A50-I110 PolarHBondContact N-O 2.89Å; A50-I110 PolarHBondContact O-N 2.87Å; A50-L142 HydrophobicContact CB-CD1 3.73Å; A50-L142 HydrophobicContact CB-CD2 4.07Å |
| 51 | T | 98.1 | Very high | 93.5 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 126 | 179.4 | -51.3 | 0 | 0 | 0 | 0 | 110.7 | L42 H107 M108 | L42-T51 WeakPolarHBondContact CD2-O 3.46Å; T51-H107 HydrophobicContact CG2-CB 4.12Å; T51-M108 WeakPolarHBondContact CA-O 3.4Å |
| 52 | F | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 154.8 | 167.2 | -63.7 | -83.9 | 0 | 0 | 0 | 110.3 | F37 S38 L42 W67 H107 M108 Y121 A140 L142 | F37-F52 HydrophobicContact CD2-CB 4.23Å; F37-F52 HydrophobicContact CE1-CB 4.09Å; F37-F52 AromaticContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD2 4.41Å; F37-F52 AromaticContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE2-CB 3.41Å; F37-F52 VanDerWaalsContact CE2-CB 3.41Å; F37-F52 HydrophobicContact CE2-CG 4.12Å; F37-F52 HydrophobicContact CZ-CB 3.32Å; F37-F52 HydrophobicContact CZ-CD1 4.03Å; F37-F52 AromaticContact CZ-CD2 3.95Å; F37-F52 HydrophobicContact CZ-CD2 3.95Å; F37-F52 AromaticContact CZ-CG 3.5Å; F37-F52 HydrophobicContact CZ-CG 3.5Å; S38-F52 CarbonylContact O-C 3.45Å; S38-F52 WeakPolarHBondContact O-CA 3.25Å; L42-F52 HydrophobicContact CB-CE1 3.67Å; L42-F52 HydrophobicContact CB-CZ 3.7Å; L42-F52 HydrophobicContact CD2-CD1 4.43Å; L42-F52 HydrophobicContact CD2-CD2 4.37Å; L42-F52 HydrophobicContact CD2-CE1 4.06Å; L42-F52 HydrophobicContact CD2-CE2 4Å; L42-F52 HydrophobicContact CD2-CZ 3.83Å; L42-F52 HydrophobicContact CG-CZ 4.4Å; F52-W67 HydrophobicContact CD2-CZ2 4.34Å; F52-H107 WeakPolarHBondContact O-CA 3.44Å; F52-M108 HydrophobicContact CB-CB 4.41Å; F52-M108 PolarHBondContact N-O 2.86Å; F52-M108 PolarHBondContact O-N 2.86Å; F52-Y121 HydrophobicContact CE2-CD2 4.48Å; F52-A140 HydrophobicContact CD1-CB 4.02Å; F52-A140 HydrophobicContact CE1-CB 3.66Å; F52-A140 HydrophobicContact CZ-CB 4.44Å; F52-L142 HydrophobicContact CE2-CB 4.2Å; F52-L142 HydrophobicContact CE2-CD1 4.45Å; F52-L142 HydrophobicContact CZ-CB 3.94Å; F52-L142 HydrophobicContact CZ-CD1 4.36Å |
| 53 | T | 97.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117.9 | 173.2 | -55 | 0 | 0 | 0 | 0 | 109.1 | F37 S38 D105 F106 | F37-T53 WeakPolarHBondContact CA-O 3.47Å; S38-T53 PolarHBondContact N-O 3.13Å; S38-T53 PolarHBondContact O-N 2.95Å; T53-D105 HydrophobicContact CG2-CB 4Å; T53-F106 WeakPolarHBondContact CA-O 3.27Å |
| 54 | C | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.2 | 167.9 | -176 | 0 | 0 | 0 | 0 | 108.7 | T36 F37 D105 F106 M108 C123 | T36-C54 CarbonylContact O-C 3.52Å; T36-C54 VanDerWaalsContact O-CA 3.28Å; T36-C54 WeakPolarHBondContact O-CA 3.34Å; F37-C54 HydrophobicContact CD2-CB 3.94Å; F37-C54 HydrophobicContact CE2-CB 4.34Å; C54-D105 CarbonylContact O-C 3.54Å; C54-D105 WeakPolarHBondContact O-CA 3.36Å; C54-F106 HydrophobicContact CB-CB 4.45Å; C54-F106 PolarHBondContact N-O 2.93Å; C54-F106 PolarHBondContact O-N 2.83Å; C54-M108 HydrophobicContact CB-CE 3.66Å; C54-M108 HydrophobicContact CB-SD 4.06Å; C54-C123 HydrophobicContact CB-CB 3.72Å; C54-C123 WeakPolarHBondContact CB-SG 3.36Å; C54-C123 WeakPolarHBondContact SG-CB 3.46Å; C54-C123 CovalentContact SG-SG 2.04Å; C54-C123 PolarHBondContact SG-SG 2.69Å |
| 55 | S | 94.8 | Very high | 92 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.5 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | L35 T36 D105 | L35-S55 WeakPolarHBondContact CA-O 3.36Å; T36-S55 PolarHBondContact N-O 2.9Å; T36-S55 PolarHBondContact O-N 2.95Å; T36-S55 VanDerWaalsContact OG1-CB 3.26Å; T36-S55 WeakPolarHBondContact OG1-CB 3.35Å; S55-D105 WeakPolarHBondContact CB-OD1 3.45Å; S55-D105 PolarHBondContact OG-OD1 3.15Å |
| 56 | L | 91.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | trans | -115.6 | 109.8 | 176.3 | -175.2 | 57 | 0 | 0 | 0 | 108 | L35 D58 I59 F63 R104 F106 A125 | L35-L56 HydrophobicContact CD1-CD1 3.53Å; L35-L56 HydrophobicContact CG-CD1 4Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 WeakPolarHBondContact CG-O 3.4Å; L56-D58 PolarHBondContact O-N 3.41Å; L56-I59 HydrophobicContact CB-CD1 3.88Å; L56-I59 HydrophobicContact CD2-CD1 3.99Å; L56-I59 HydrophobicContact CG-CD1 4.06Å; L56-F63 HydrophobicContact CD2-CD2 4.17Å; L56-F63 HydrophobicContact CD2-CE2 4.09Å; L56-R104 PolarHBondContact N-O 2.97Å; L56-R104 WeakPolarHBondContact O-CB 3.32Å; L56-F106 HydrophobicContact CB-CE2 4.47Å; L56-A125 HydrophobicContact CD2-CB 4.47Å | ||
| 57 | A | 84.1 | Confident | 91.7 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 50% | 0.504 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -65.7 | -35.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S33 | S33-A57 VanDerWaalsContact CB-CB 3.43Š|
| 58 | D | 82 | Confident | 91.7 | Very high | 84 Ų | 84 | 41.2 Ų | 41.2 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -119.9 | 114.2 | 175.1 | -62.4 | -54.5 | 0 | 0 | 0 | 108.9 | S33 L56 P60 | S33-D58 WeakPolarHBondContact CB-OD2 3.41Å; S33-D58 PolarHBondContact OG-OD2 2.92Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 WeakPolarHBondContact CG-O 3.4Å; L56-D58 PolarHBondContact O-N 3.41Å; D58-P60 WeakPolarHBondContact O-CD 3.28Å |
| 59 | I | 80.9 | Confident | 91.6 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 30% | 0.303 | 22% | 0.224 | S | C | . | . | trans | -82 | 116.5 | 179.4 | -59.8 | -69.2 | 0 | 0 | 0 | 109 | L56 F63 G103 R104 F106 | L56-I59 HydrophobicContact CB-CD1 3.88Å; L56-I59 HydrophobicContact CD2-CD1 3.99Å; L56-I59 HydrophobicContact CG-CD1 4.06Å; I59-F63 HydrophobicContact CG2-CE1 3.86Å; I59-F63 HydrophobicContact CG2-CZ 4.4Å; I59-G103 WeakPolarHBondContact CD1-O 3.29Å; I59-R104 HydrophobicContact CD1-CB 4.31Å; I59-R104 HydrophobicContact CG1-CB 4.23Å; I59-F106 HydrophobicContact CD1-CE2 4.04Å; I59-F106 HydrophobicContact CD1-CZ 4.23Å | ||
| 60 | P | 80.4 | Confident | 91.4 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | trans | -76.5 | 162.4 | 176.6 | 35.8 | -39.3 | 0 | 0 | 0 | 111 | D58 S62 F63 Y127 | D58-P60 WeakPolarHBondContact O-CD 3.28Å; P60-S62 PolarHBondContact O-N 2.91Å; P60-F63 HydrophobicContact CG-CB 3.59Å; P60-F63 HydrophobicContact CG-CD1 3.55Å; P60-F63 HydrophobicContact CG-CE1 4.43Å; P60-F63 HydrophobicContact CG-CG 3.69Å; P60-Y127 HydrophobicContact CB-CD1 3.75Å; P60-Y127 HydrophobicContact CB-CE1 4.01Å; P60-Y127 HydrophobicContact CG-CD1 3.57Å; P60-Y127 HydrophobicContact CG-CE1 3.63Å | ||
| 61 | D | 81.2 | Confident | 90.9 | Very high | 181 Ų | 181 | 36.5 Ų | 36.5 | 97% | 0.968 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -62.6 | -31.5 | 179 | -62.9 | -31.3 | 0 | 0 | 0 | 113 | ||
| 62 | S | 86.2 | Confident | 90.1 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 42% | 0.42 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -148.2 | 113.3 | -175.2 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | P60 L128 | P60-S62 PolarHBondContact O-N 2.91Å; S62-L128 PolarHBondContact O-N 3.33Å; S62-L128 WeakPolarHBondContact OG-CB 3.3Å; S62-L128 VanDerWaalsContact OG-CD1 3.23Å; S62-L128 WeakPolarHBondContact OG-CD1 3.16Å |
| 63 | F | 89.5 | Confident | 89.5 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 162.6 | 179.6 | 70.5 | -70.1 | 0 | 0 | 0 | 112 | L56 I59 P60 L65 F106 I126 | L56-F63 HydrophobicContact CD2-CD2 4.17Å; L56-F63 HydrophobicContact CD2-CE2 4.09Å; I59-F63 HydrophobicContact CG2-CE1 3.86Å; I59-F63 HydrophobicContact CG2-CZ 4.4Å; P60-F63 HydrophobicContact CG-CB 3.59Å; P60-F63 HydrophobicContact CG-CD1 3.55Å; P60-F63 HydrophobicContact CG-CE1 4.43Å; P60-F63 HydrophobicContact CG-CG 3.69Å; F63-L65 HydrophobicContact CD2-CB 4.29Å; F63-L65 HydrophobicContact CE2-CB 4.03Å; F63-F106 HydrophobicContact CE2-CZ 4.03Å; F63-F106 HydrophobicContact CZ-CE1 4.33Å; F63-F106 HydrophobicContact CZ-CE2 4.49Å; F63-F106 AromaticContact CZ-CZ 3.71Å; F63-F106 HydrophobicContact CZ-CZ 3.71Å; F63-I126 CarbonylContact C-O 3.57Å; F63-I126 VanDerWaalsContact CA-O 3.22Å; F63-I126 WeakPolarHBondContact CA-O 3.42Å; F63-I126 WeakPolarHBondContact CB-O 3.31Å |
| 64 | V | 91.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.5 | 168.2 | -178.6 | 0 | 0 | 0 | 0 | 108 | A81 Q83 I126 L128 | V64-A81 HydrophobicContact CG1-CB 4.36Å; V64-Q83 HydrophobicContact CG2-CG 4.26Å; V64-I126 PolarHBondContact N-O 2.99Å; V64-I126 PolarHBondContact O-N 3.45Å; V64-L128 HydrophobicContact CG2-CD1 4.2Å; V64-L128 HydrophobicContact CG2-CD2 4.39Å |
| 65 | L | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119 | 174.9 | -170.2 | 71.6 | 0 | 0 | 0 | 109.4 | L35 F63 A81 F82 V97 F106 M108 A125 | L35-L65 HydrophobicContact CD2-CD1 4.19Å; F63-L65 HydrophobicContact CD2-CB 4.29Å; F63-L65 HydrophobicContact CE2-CB 4.03Å; L65-A81 CarbonylContact O-C 3.52Å; L65-A81 VanDerWaalsContact O-CA 3.25Å; L65-A81 WeakPolarHBondContact O-CA 3.3Å; L65-F82 HydrophobicContact CB-CB 4.34Å; L65-F82 PolarHBondContact N-O 2.67Å; L65-F82 PolarHBondContact O-N 3.24Å; L65-V97 HydrophobicContact CD2-CG1 4.36Å; L65-F106 HydrophobicContact CD2-CB 3.59Å; L65-F106 HydrophobicContact CD2-CD1 3.73Å; L65-F106 HydrophobicContact CD2-CD2 3.57Å; L65-F106 HydrophobicContact CD2-CE1 4.32Å; L65-F106 HydrophobicContact CD2-CE2 4.2Å; L65-F106 HydrophobicContact CD2-CG 3.33Å; L65-M108 HydrophobicContact CD2-CE 3.7Å; L65-M108 HydrophobicContact CG-CE 3.9Å; L65-A125 HydrophobicContact CD1-CB 4.09Å |
| 66 | N | 94.4 | Very high | 88.1 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 144.8 | 178.6 | -65.3 | -48.6 | 0 | 0 | 0 | 110.5 | Y68 K78 A81 C123 G124 I126 | N66-Y68 HydrophobicContact CB-CD2 4.19Å; N66-Y68 HydrophobicContact CB-CE1 4.03Å; N66-Y68 HydrophobicContact CB-CE2 3.37Å; N66-Y68 VanDerWaalsContact CB-OH 3.24Å; N66-Y68 WeakPolarHBondContact CB-OH 3.23Å; N66-Y68 PolarHBondContact ND2-OH 3.45Å; N66-K78 WeakPolarHBondContact OD1-CE 3.23Å; N66-K78 PolarHBondContact OD1-NZ 2.82Å; N66-K78 VanDerWaalsContact OD1-NZ 3.15Å; N66-A81 WeakPolarHBondContact OD1-CB 3.48Å; N66-C123 WeakPolarHBondContact O-CA 3.26Å; N66-G124 PolarHBondContact N-O 3.44Å; N66-G124 PolarHBondContact O-N 3.11Å; N66-I126 VanDerWaalsContact ND2-CD1 3.31Å; N66-I126 WeakPolarHBondContact ND2-CD1 3.45Å |
| 67 | W | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.1 | 170.8 | -176 | 29 | 0 | 0 | 0 | 110 | F37 F52 L79 A80 F95 V97 M108 I110 Y121 | F37-W67 AromaticContact CZ-NE1 3.87Å; F52-W67 HydrophobicContact CD2-CZ2 4.34Å; W67-L79 HydrophobicContact CD2-CB 4.39Å; W67-L79 HydrophobicContact CD2-CD1 3.74Å; W67-L79 HydrophobicContact CE3-CB 4.3Å; W67-L79 HydrophobicContact CE3-CD1 4.18Å; W67-L79 HydrophobicContact CG-CD1 4.08Å; W67-L79 HydrophobicContact CZ2-CD1 4.29Å; W67-L79 PolarHBondContact O-N 3.11Å; W67-A80 HydrophobicContact CE3-CB 4.38Å; W67-A80 PolarHBondContact N-O 2.88Å; W67-F95 HydrophobicContact CE3-CB 4.11Å; W67-F95 HydrophobicContact CE3-CD1 4.14Å; W67-F95 AromaticContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CE1 4.45Å; W67-F95 HydrophobicContact CZ2-CD1 4.4Å; W67-F95 HydrophobicContact CZ3-CB 3.75Å; W67-F95 AromaticContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CG 4.13Å; W67-V97 HydrophobicContact CB-CG2 4.03Å; W67-V97 HydrophobicContact CE3-CG2 4.37Å; W67-M108 HydrophobicContact CB-CE 4.07Å; W67-M108 HydrophobicContact CB-CG 4.49Å; W67-M108 HydrophobicContact CB-SD 3.67Å; W67-M108 HydrophobicContact CD2-CB 3.82Å; W67-M108 HydrophobicContact CD2-CG 4.31Å; W67-M108 HydrophobicContact CD2-SD 4.11Å; W67-M108 HydrophobicContact CE3-CB 4.05Å; W67-M108 HydrophobicContact CG-CB 4.21Å; W67-M108 HydrophobicContact CG-CE 4.5Å; W67-M108 HydrophobicContact CG-CG 4.22Å; W67-M108 HydrophobicContact CG-SD 3.47Å; W67-M108 HydrophobicContact CH2-CB 4.22Å; W67-M108 HydrophobicContact CZ2-CB 4.08Å; W67-M108 HydrophobicContact CZ3-CB 4.22Å; W67-I110 HydrophobicContact CH2-CD1 4.27Å; W67-I110 HydrophobicContact CH2-CG1 3.45Å; W67-I110 VanDerWaalsContact CH2-CG1 3.45Å; W67-I110 HydrophobicContact CZ2-CG1 4.11Å; W67-I110 HydrophobicContact CZ3-CG1 4.38Å; W67-Y121 AromaticContact CE2-CD1 3.84Å; W67-Y121 AromaticContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CE1 4.19Å; W67-Y121 AromaticContact NE1-CD1 3.55Å |
| 68 | Y | 95.3 | Very high | 88.6 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.7 | -172.6 | -59.4 | -75.7 | 0 | 0 | 0 | 112.9 | N66 T76 D77 K78 Y121 L122 | N66-Y68 HydrophobicContact CB-CD2 4.19Å; N66-Y68 HydrophobicContact CB-CE1 4.03Å; N66-Y68 HydrophobicContact CB-CE2 3.37Å; N66-Y68 VanDerWaalsContact CB-OH 3.24Å; N66-Y68 WeakPolarHBondContact CB-OH 3.23Å; N66-Y68 PolarHBondContact ND2-OH 3.45Å; Y68-T76 HydrophobicContact CD1-CG2 3.38Å; Y68-T76 HydrophobicContact CD2-CG2 4.21Å; Y68-T76 HydrophobicContact CE1-CG2 4.15Å; Y68-T76 HydrophobicContact CG-CG2 3.39Å; Y68-D77 CarbonylContact C-O 3.59Å; Y68-D77 VanDerWaalsContact CA-O 3.28Å; Y68-D77 WeakPolarHBondContact CA-O 3.44Å; Y68-K78 HydrophobicContact CD1-CB 3.94Å; Y68-K78 HydrophobicContact CD1-CG 4.37Å; Y68-K78 HydrophobicContact CE1-CB 3.82Å; Y68-K78 HydrophobicContact CE1-CG 4.05Å; Y68-Y121 WeakPolarHBondContact O-CA 3.41Å; Y68-L122 HydrophobicContact CD2-CD1 3.94Å; Y68-L122 PolarHBondContact N-O 3.16Å; Y68-L122 PolarHBondContact O-N 3.29Å; Y68-L122 VanDerWaalsContact O-N 3.14Å |
| 69 | R | 95.5 | Very high | 89.1 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 23% | 0.234 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.3 | 165 | -177.5 | 176.1 | -179.8 | 179.1 | 0.9 | 109.6 | D77 L79 N116 S118 I120 Y121 | R69-D77 PolarHBondContact N-O 2.83Å; R69-D77 PolarHBondContact O-N 3.13Å; R69-L79 HydrophobicContact CB-CD1 3.99Å; R69-L79 HydrophobicContact CB-CD2 3.93Å; R69-L79 HydrophobicContact CB-CG 4.16Å; R69-N116 VanDerWaalsContact CZ-O 3.28Å; R69-N116 PolarHBondContact NH1-O 2.79Å; R69-N116 PolarHBondContact NH2-O 2.84Å; R69-S118 PolarHBondContact NH2-O 3.26Å; R69-I120 WeakPolarHBondContact CA-O 3.19Å; R69-Y121 HydrophobicContact CB-CD1 4.15Å; R69-Y121 HydrophobicContact CB-CE1 3.94Å; R69-Y121 HydrophobicContact CG-CD1 4.49Å; R69-Y121 HydrophobicContact CG-CE1 4.07Å |
| 70 | L | 94.3 | Very high | 89.7 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.089 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.1 | 168.5 | -89.8 | 66 | 0 | 0 | 0 | 109.4 | I120 L122 | L70-I120 HydrophobicContact CB-CB 4.22Å; L70-I120 HydrophobicContact CD2-CG2 4.27Å; L70-I120 PolarHBondContact N-O 3.07Å; L70-L122 HydrophobicContact CD1-CD2 3.31Å; L70-L122 HydrophobicContact CD1-CG 4.34Å |
| 71 | S | 86.9 | Confident | 90.3 | Very high | 19 Ų | 19 | 63 Ų | 63 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | trans | -70.8 | 161.4 | 166 | 78.9 | 0 | 0 | 0 | 0 | 110.5 | R73 N74 Q75 | S71-R73 PolarHBondContact O-N 3.23Å; S71-R73 PolarHBondContact OG-N 2.78Å; S71-N74 PolarHBondContact O-N 3.01Å; S71-Q75 WeakPolarHBondContact CB-O 3.44Å; S71-Q75 PolarHBondContact N-O 2.93Å; S71-Q75 WeakPolarHBondContact OG-CB 3.21Å; S71-Q75 PolarHBondContact OG-N 3.37Å; S71-Q75 VanDerWaalsContact OG-N 3.08Å; S71-Q75 PolarHBondContact OG-O 3.15Å | ||
| 72 | P | 81.8 | Confident | 90.8 | Very high | 142 Ų | 142 | 56 Ų | 56 | 92% | 0.922 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -17 | 175.3 | -25.6 | 34.8 | 0 | 0 | 0 | 114.4 | ||
| 73 | R | 86.2 | Confident | 90.8 | Very high | 215 Ų | 215 | 55.6 Ų | 55.6 | 81% | 0.811 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 13.3 | 176.7 | -59.7 | -175.2 | -174.7 | -140.2 | 1.2 | 113 | S71 Q75 | S71-R73 PolarHBondContact O-N 3.23Å; S71-R73 PolarHBondContact OG-N 2.78Å; R73-Q75 HydrophobicContact CB-CG 4.43Å; R73-Q75 PolarHBondContact O-N 2.93Å |
| 74 | N | 81.6 | Confident | 90.1 | Very high | 119 Ų | 119 | 60.2 Ų | 60.2 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 55.8 | 29.5 | -171.6 | -66.6 | -35.1 | 0 | 0 | 0 | 113.6 | S71 | S71-N74 PolarHBondContact O-N 3.01Š|
| 75 | Q | 87.6 | Confident | 89 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 59% | 0.593 | 33% | 0.329 | S | S | * | . | trans | -91 | 140.7 | 167.7 | -62.7 | -179.7 | -25.9 | 0 | 0 | 109.2 | S71 R73 | S71-Q75 WeakPolarHBondContact CB-O 3.44Å; S71-Q75 PolarHBondContact N-O 2.93Å; S71-Q75 WeakPolarHBondContact OG-CB 3.21Å; S71-Q75 PolarHBondContact OG-N 3.37Å; S71-Q75 VanDerWaalsContact OG-N 3.08Å; S71-Q75 PolarHBondContact OG-O 3.15Å; R73-Q75 HydrophobicContact CB-CG 4.43Å; R73-Q75 PolarHBondContact O-N 2.93Å | ||
| 76 | T | 89.9 | Confident | 87.6 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 112.8 | -173.8 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | Y68 | Y68-T76 HydrophobicContact CD1-CG2 3.38Å; Y68-T76 HydrophobicContact CD2-CG2 4.21Å; Y68-T76 HydrophobicContact CE1-CG2 4.15Å; Y68-T76 HydrophobicContact CG-CG2 3.39Å |
| 77 | D | 92.2 | Very high | 85.7 | Confident | 84 Ų | 84 | 81.4 Ų | 81.4 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.8 | 177.3 | -68.1 | -30.4 | 0 | 0 | 0 | 109.8 | Y68 R69 L79 | Y68-D77 CarbonylContact C-O 3.59Å; Y68-D77 VanDerWaalsContact CA-O 3.28Å; Y68-D77 WeakPolarHBondContact CA-O 3.44Å; R69-D77 PolarHBondContact N-O 2.83Å; R69-D77 PolarHBondContact O-N 3.13Å; D77-L79 PolarHBondContact O-N 3.01Å |
| 78 | K | 93.1 | Very high | 83.9 | Confident | 103 Ų | 103 | 86.2 Ų | 86.2 | 45% | 0.448 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119.8 | 175.2 | -174.4 | -179 | 170.8 | 179.5 | 0 | 109.9 | N66 Y68 E88 | N66-K78 WeakPolarHBondContact OD1-CE 3.23Å; N66-K78 PolarHBondContact OD1-NZ 2.82Å; N66-K78 VanDerWaalsContact OD1-NZ 3.15Å; Y68-K78 HydrophobicContact CD1-CB 3.94Å; Y68-K78 HydrophobicContact CD1-CG 4.37Å; Y68-K78 HydrophobicContact CE1-CB 3.82Å; Y68-K78 HydrophobicContact CE1-CG 4.05Å; K78-E88 IonicContact NZ-OE2 3.6Å |
| 79 | L | 93.4 | Very high | 82.2 | Confident | 24 Ų | 24 | 89.5 Ų | 89.5 | 13% | 0.126 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -49.1 | -178.6 | -55.7 | 171.4 | 0 | 0 | 0 | 111.4 | W67 R69 D77 G90 F95 Y121 | W67-L79 HydrophobicContact CD2-CB 4.39Å; W67-L79 HydrophobicContact CD2-CD1 3.74Å; W67-L79 HydrophobicContact CE3-CB 4.3Å; W67-L79 HydrophobicContact CE3-CD1 4.18Å; W67-L79 HydrophobicContact CG-CD1 4.08Å; W67-L79 HydrophobicContact CZ2-CD1 4.29Å; W67-L79 PolarHBondContact O-N 3.11Å; R69-L79 HydrophobicContact CB-CD1 3.99Å; R69-L79 HydrophobicContact CB-CD2 3.93Å; R69-L79 HydrophobicContact CB-CG 4.16Å; D77-L79 PolarHBondContact O-N 3.01Å; L79-G90 WeakPolarHBondContact O-CA 3.34Å; L79-F95 HydrophobicContact CB-CB 4.32Å; L79-F95 HydrophobicContact CB-CD1 4.12Å; L79-F95 HydrophobicContact CB-CG 4.22Å; L79-F95 HydrophobicContact CD1-CD1 3.84Å; L79-F95 HydrophobicContact CD1-CE1 3.98Å; L79-F95 HydrophobicContact CD2-CD1 4.36Å; L79-F95 HydrophobicContact CD2-CE1 4.2Å; L79-F95 HydrophobicContact CD2-CZ 4.41Å; L79-F95 HydrophobicContact CG-CD1 4.34Å; L79-Y121 HydrophobicContact CD1-CD1 3.65Å; L79-Y121 HydrophobicContact CD1-CE1 3.48Å; L79-Y121 VanDerWaalsContact CD1-CE1 3.48Å |
| 80 | A | 93.5 | Very high | 80.7 | Confident | 6 Ų | 6 | 87.4 Ų | 87.4 | 5% | 0.05 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 165 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | W67 F95 V97 | W67-A80 HydrophobicContact CE3-CB 4.38Å; W67-A80 PolarHBondContact N-O 2.88Å; A80-F95 HydrophobicContact CB-CB 4.43Å; A80-V97 HydrophobicContact CB-CG2 3.76Å |
| 81 | A | 92.6 | Very high | 79.7 | Confident | 14 Ų | 14 | 99 Ų | 99 | 12% | 0.116 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V64 L65 N66 | V64-A81 HydrophobicContact CG1-CB 4.36Å; L65-A81 CarbonylContact O-C 3.52Å; L65-A81 VanDerWaalsContact O-CA 3.25Å; L65-A81 WeakPolarHBondContact O-CA 3.3Å; N66-A81 WeakPolarHBondContact OD1-CB 3.48Å |
| 82 | F | 90.9 | Very high | 79.8 | Confident | 33 Ų | 33 | 100.4 Ų | 100.4 | 15% | 0.145 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.4 | 166.5 | 176.4 | -88.8 | 0 | 0 | 0 | 109.1 | L65 V97 R99 F106 | L65-F82 HydrophobicContact CB-CB 4.34Å; L65-F82 PolarHBondContact N-O 2.67Å; L65-F82 PolarHBondContact O-N 3.24Å; F82-V97 HydrophobicContact CB-CB 4.08Å; F82-V97 HydrophobicContact CB-CG1 3.62Å; F82-V97 HydrophobicContact CG-CG1 4.48Å; F82-R99 HydrophobicContact CE2-CB 3.89Å; F82-R99 HydrophobicContact CZ-CB 3.83Å; F82-R99 HydrophobicContact CZ-CG 4.43Å; F82-F106 HydrophobicContact CD1-CD1 4.12Å; F82-F106 AromaticContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CE1-CD1 4.45Å; F82-F106 AromaticContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CG-CD1 4.28Å; F82-F106 HydrophobicContact CG-CE1 4.24Å; F82-F106 HydrophobicContact CZ-CE1 4.28Å |
| 83 | Q | 87.8 | Confident | 80.1 | Confident | 51 Ų | 51 | 103.6 Ų | 103.6 | 24% | 0.238 | 49% | 0.485 | C | S | . | . | trans | -143.6 | 130.8 | 168.5 | -173 | 174.2 | 16.3 | 0 | 0 | 106.8 | V64 D85 R86 | V64-Q83 HydrophobicContact CG2-CG 4.26Å; Q83-D85 PolarHBondContact O-N 2.78Å; Q83-D85 VanDerWaalsContact O-N 3.11Å; Q83-R86 HydrophobicContact CB-CB 4.36Å; Q83-R86 CarbonylContact O-C 3.59Å; Q83-R86 PolarHBondContact O-N 2.63Å; Q83-R86 VanDerWaalsContact O-N 3.11Å | ||
| 84 | E | 73.2 | Confident | 80.5 | Confident | 116 Ų | 116 | 94.8 Ų | 94.8 | 54% | 0.542 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38.2 | -171 | -154.3 | 83.7 | -153.7 | 0 | 0 | 112.3 | R99 | E84-R99 IonicContact OE1-NH1 3.81Å; E84-R99 PolarHBondContact OE1-NH1 3.28Å; E84-R99 IonicContact OE2-CZ 3.78Å; E84-R99 IonicContact OE2-NH1 2.89Å; E84-R99 PolarHBondContact OE2-NH1 3.45Å |
| 85 | D | 69.1 | Low | 81.1 | Confident | 149 Ų | 149 | 89.9 Ų | 89.9 | 80% | 0.797 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -4.5 | -175.3 | -55.6 | -37.3 | 0 | 0 | 0 | 114.4 | Q83 | Q83-D85 PolarHBondContact O-N 2.78Å; Q83-D85 VanDerWaalsContact O-N 3.11Å |
| 86 | R | 64.4 | Low | 81.4 | Confident | 165 Ų | 165 | 90.4 Ų | 90.4 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | trans | -144.3 | 102.1 | -174.8 | -68.4 | -173.1 | 179.7 | -170.8 | 0.7 | 110.6 | Q83 E88 | Q83-R86 HydrophobicContact CB-CB 4.36Å; Q83-R86 CarbonylContact O-C 3.59Å; Q83-R86 PolarHBondContact O-N 2.63Å; Q83-R86 VanDerWaalsContact O-N 3.11Å; R86-E88 PolarHBondContact O-N 2.97Å; R86-E88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | I | 54.8 | Low | 81.6 | Confident | 159 Ų | 159 | 88.1 Ų | 88.1 | 82% | 0.815 | 41% | 0.407 | S | S | * | . | trans | -77.6 | 97 | 164.4 | -55.7 | -178.4 | 0 | 0 | 0 | 106.9 | P89 | I87-P89 WeakPolarHBondContact O-CD 3.42Š| ||
| 88 | E | 57.8 | Low | 81.6 | Confident | 101 Ų | 101 | 87.3 Ų | 87.3 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | trans | -78.6 | 110 | 165 | -72 | -164 | 158.6 | 0 | 0 | 108.4 | K78 R86 G90 | K78-E88 IonicContact NZ-OE2 3.6Å; R86-E88 PolarHBondContact O-N 2.97Å; R86-E88 VanDerWaalsContact O-N 3.12Å; E88-G90 PolarHBondContact O-N 3.36Å; E88-G90 VanDerWaalsContact O-N 3.13Å | ||
| 89 | P | 59.7 | Low | 81.6 | Confident | 105 Ų | 105 | 86.6 Ų | 86.6 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | trans | -64 | 120.1 | 172.6 | 26.2 | -31.4 | 0 | 0 | 0 | 108.3 | I87 | I87-P89 WeakPolarHBondContact O-CD 3.42Š| ||
| 90 | G | 63.7 | Low | 81.6 | Confident | 19 Ų | 19 | 87.4 Ų | 87.4 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | trans | -54.7 | 156.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L79 E88 D92 | L79-G90 WeakPolarHBondContact O-CA 3.34Å; E88-G90 PolarHBondContact O-N 3.36Å; E88-G90 VanDerWaalsContact O-N 3.13Å; G90-D92 PolarHBondContact O-N 3.23Å; G90-D92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | R | 73.9 | Confident | 81.6 | Confident | 261 Ų | 261 | 93.6 Ų | 93.6 | 99% | 0.985 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -55.2 | -32.7 | -179.1 | -173.1 | 177.9 | -178.9 | -176.6 | 0.6 | 112.3 | ||
| 92 | D | 87.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 96.8 Ų | 96.8 | 26% | 0.257 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -114.8 | 118.7 | 170.9 | 179.8 | -6.3 | 0 | 0 | 0 | 109.5 | G90 R94 F95 | G90-D92 PolarHBondContact O-N 3.23Å; G90-D92 VanDerWaalsContact O-N 3.11Å; D92-R94 PolarHBondContact O-N 2.84Å; D92-R94 VanDerWaalsContact O-N 3.15Å; D92-R94 WeakPolarHBondContact OD1-CB 3.39Å; D92-R94 VanDerWaalsContact OD1-CG 3.26Å; D92-R94 WeakPolarHBondContact OD1-CG 3.48Å; D92-R94 PolarHBondContact OD1-N 3.16Å; D92-R94 IonicContact OD1-NE 3.48Å; D92-R94 PolarHBondContact OD1-NE 3.31Å; D92-R94 IonicContact OD2-CZ 3.38Å; D92-R94 IonicContact OD2-NE 2.91Å; D92-R94 PolarHBondContact OD2-NE 2.95Å; D92-R94 IonicContact OD2-NH2 2.98Å; D92-R94 PolarHBondContact OD2-NH2 3.05Å; D92-F95 HydrophobicContact CB-CD2 3.71Å; D92-F95 HydrophobicContact CB-CE2 3.91Å; D92-F95 PolarHBondContact O-N 3.01Å; D92-F95 WeakPolarHBondContact OD2-CE2 3.3Å |
| 93 | R | 88.8 | Confident | 81.4 | Confident | 209 Ų | 209 | 96 Ų | 96 | 79% | 0.789 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.1 | -176.7 | -64.8 | -176.1 | 176 | -176.1 | -1.3 | 114.1 | F95 | R93-F95 VanDerWaalsContact C-N 3.29Š|
| 94 | R | 94.8 | Very high | 81.6 | Confident | 29 Ų | 29 | 100.4 Ų | 100.4 | 11% | 0.109 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -30.8 | 173.8 | -64.1 | -176.2 | -49.5 | 121.8 | 5.8 | 111.8 | D92 I110 V111 A112 D117 | D92-R94 PolarHBondContact O-N 2.84Å; D92-R94 VanDerWaalsContact O-N 3.15Å; D92-R94 WeakPolarHBondContact OD1-CB 3.39Å; D92-R94 VanDerWaalsContact OD1-CG 3.26Å; D92-R94 WeakPolarHBondContact OD1-CG 3.48Å; D92-R94 PolarHBondContact OD1-N 3.16Å; D92-R94 IonicContact OD1-NE 3.48Å; D92-R94 PolarHBondContact OD1-NE 3.31Å; D92-R94 IonicContact OD2-CZ 3.38Å; D92-R94 IonicContact OD2-NE 2.91Å; D92-R94 PolarHBondContact OD2-NE 2.95Å; D92-R94 IonicContact OD2-NH2 2.98Å; D92-R94 PolarHBondContact OD2-NH2 3.05Å; R94-I110 HydrophobicContact CB-CG2 4.47Å; R94-I110 WeakPolarHBondContact O-CA 3.5Å; R94-V111 WeakPolarHBondContact CB-O 3.49Å; R94-V111 WeakPolarHBondContact CD-O 3.33Å; R94-V111 WeakPolarHBondContact CG-O 3.35Å; R94-V111 PolarHBondContact O-N 3.06Å; R94-A112 PolarHBondContact NH1-O 2.99Å; R94-D117 IonicContact CZ-OD1 3.8Å; R94-D117 IonicContact CZ-OD2 3.42Å; R94-D117 IonicContact NH1-OD1 2.68Å; R94-D117 IonicContact NH1-OD2 3.17Å; R94-D117 PolarHBondContact NH1-OD2 3.03Å; R94-D117 IonicContact NH2-OD1 2.88Å; R94-D117 PolarHBondContact NH2-OD1 2.78Å; R94-D117 IonicContact NH2-OD2 3.27Å; R94-D117 PolarHBondContact NH2-OD2 2.96Å |
| 95 | F | 94.6 | Very high | 82.6 | Confident | 17 Ų | 17 | 96.1 Ų | 96.1 | 8% | 0.075 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.3 | 177.9 | -60.5 | -92.4 | 0 | 0 | 0 | 109.5 | W67 L79 A80 D92 R93 S109 I110 Y121 | W67-F95 HydrophobicContact CE3-CB 4.11Å; W67-F95 HydrophobicContact CE3-CD1 4.14Å; W67-F95 AromaticContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CE1 4.45Å; W67-F95 HydrophobicContact CZ2-CD1 4.4Å; W67-F95 HydrophobicContact CZ3-CB 3.75Å; W67-F95 AromaticContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CG 4.13Å; L79-F95 HydrophobicContact CB-CB 4.32Å; L79-F95 HydrophobicContact CB-CD1 4.12Å; L79-F95 HydrophobicContact CB-CG 4.22Å; L79-F95 HydrophobicContact CD1-CD1 3.84Å; L79-F95 HydrophobicContact CD1-CE1 3.98Å; L79-F95 HydrophobicContact CD2-CD1 4.36Å; L79-F95 HydrophobicContact CD2-CE1 4.2Å; L79-F95 HydrophobicContact CD2-CZ 4.41Å; L79-F95 HydrophobicContact CG-CD1 4.34Å; A80-F95 HydrophobicContact CB-CB 4.43Å; D92-F95 HydrophobicContact CB-CD2 3.71Å; D92-F95 HydrophobicContact CB-CE2 3.91Å; D92-F95 PolarHBondContact O-N 3.01Å; D92-F95 WeakPolarHBondContact OD2-CE2 3.3Å; R93-F95 VanDerWaalsContact C-N 3.29Å; F95-S109 WeakPolarHBondContact CA-O 3.42Å; F95-I110 HydrophobicContact CD1-CD1 4.23Å; F95-I110 HydrophobicContact CD1-CG1 3.85Å; F95-I110 HydrophobicContact CE1-CD1 3.62Å; F95-I110 HydrophobicContact CE1-CG1 3.73Å; F95-I110 HydrophobicContact CE1-CG2 4.21Å; F95-I110 HydrophobicContact CZ-CD1 4.42Å; F95-I110 HydrophobicContact CZ-CG2 4.38Å; F95-Y121 HydrophobicContact CE1-CE1 4.33Å |
| 96 | R | 92.6 | Very high | 83.8 | Confident | 137 Ų | 137 | 89 Ų | 89 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.2 | -177.1 | -57.7 | 180 | 177.2 | -167.3 | -0.8 | 110.3 | M108 S109 | R96-M108 CarbonylContact O-C 3.55Å; R96-M108 WeakPolarHBondContact O-CA 3.29Å; R96-S109 PolarHBondContact N-O 2.8Å; R96-S109 PolarHBondContact O-N 3.29Å |
| 97 | V | 94 | Very high | 85.4 | Confident | 20 Ų | 20 | 84.2 Ų | 84.2 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.9 | 169.3 | -173.1 | 0 | 0 | 0 | 0 | 107.3 | L65 W67 A80 F82 F106 H107 M108 | L65-V97 HydrophobicContact CD2-CG1 4.36Å; W67-V97 HydrophobicContact CB-CG2 4.03Å; W67-V97 HydrophobicContact CE3-CG2 4.37Å; A80-V97 HydrophobicContact CB-CG2 3.76Å; F82-V97 HydrophobicContact CB-CB 4.08Å; F82-V97 HydrophobicContact CB-CG1 3.62Å; F82-V97 HydrophobicContact CG-CG1 4.48Å; V97-F106 HydrophobicContact CG1-CB 4.31Å; V97-H107 CarbonylContact C-O 3.49Å; V97-H107 VanDerWaalsContact CA-O 3.32Å; V97-H107 WeakPolarHBondContact CA-O 3.19Å; V97-M108 HydrophobicContact CG1-CE 4.24Å; V97-M108 HydrophobicContact CG1-CG 4.33Å; V97-M108 HydrophobicContact CG2-CG 4.28Å |
| 98 | T | 92.7 | Very high | 87.4 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.1 | -177.3 | 53.2 | 0 | 0 | 0 | 0 | 110 | F106 H107 | T98-F106 CarbonylContact O-C 3.53Å; T98-F106 VanDerWaalsContact O-CA 3.29Å; T98-F106 WeakPolarHBondContact O-CA 3.26Å; T98-H107 PolarHBondContact N-O 2.79Å; T98-H107 PolarHBondContact O-N 2.98Å; T98-H107 WeakPolarHBondContact OG1-CB 3.47Å; T98-H107 PolarHBondContact OG1-O 3.43Å |
| 99 | R | 93.3 | Very high | 89.2 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 33% | 0.328 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.1 | 176.7 | -171.2 | 173.9 | -170.9 | -160.2 | -1.6 | 109.6 | F82 E84 G103 F106 | F82-R99 HydrophobicContact CE2-CB 3.89Å; F82-R99 HydrophobicContact CZ-CB 3.83Å; F82-R99 HydrophobicContact CZ-CG 4.43Å; E84-R99 IonicContact OE1-NH1 3.81Å; E84-R99 PolarHBondContact OE1-NH1 3.28Å; E84-R99 IonicContact OE2-CZ 3.78Å; E84-R99 IonicContact OE2-NH1 2.89Å; E84-R99 PolarHBondContact OE2-NH1 3.45Å; R99-G103 PolarHBondContact NE-O 3.15Å; R99-G103 PolarHBondContact NH2-O 3.01Å; R99-F106 HydrophobicContact CB-CD1 3.9Å; R99-F106 HydrophobicContact CB-CE1 3.77Å; R99-F106 HydrophobicContact CG-CD1 4.05Å; R99-F106 HydrophobicContact CG-CE1 3.55Å; R99-F106 HydrophobicContact CG-CZ 4.06Å |
| 100 | L | 93.6 | Very high | 91 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | trans | -77.6 | 158.3 | 176.2 | -77.2 | 163.6 | 0 | 0 | 0 | 111.2 | N102 G103 D105 H107 | L100-N102 PolarHBondContact O-N 2.82Å; L100-G103 PolarHBondContact O-N 2.79Å; L100-D105 HydrophobicContact CB-CB 4.19Å; L100-D105 WeakPolarHBondContact CB-O 3.34Å; L100-D105 HydrophobicContact CD1-CB 3.39Å; L100-D105 HydrophobicContact CG-CB 4.35Å; L100-D105 PolarHBondContact N-O 3.35Å; L100-H107 VanDerWaalsContact CD1-CD2 3.48Å; L100-H107 WeakPolarHBondContact CD1-CD2 3.45Å | ||
| 101 | P | 92.9 | Very high | 92.6 | Very high | 136 Ų | 136 | 69 Ų | 69 | 88% | 0.883 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21 | -179.1 | -25.5 | 34.8 | 0 | 0 | 0 | 114.8 | G103 | P101-G103 PolarHBondContact O-N 3.17Š|
| 102 | N | 91.2 | Very high | 93.7 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5.2 | 176.2 | 67.9 | 12.6 | 0 | 0 | 0 | 113.6 | L100 R104 D105 | L100-N102 PolarHBondContact O-N 2.82Å; N102-R104 HydrophobicContact CB-CG 4.48Å; N102-R104 PolarHBondContact O-N 2.65Å; N102-R104 PolarHBondContact OD1-N 3.41Å; N102-R104 VanDerWaalsContact OD1-N 3.15Å; N102-D105 VanDerWaalsContact ND2-CG 3.29Å; N102-D105 PolarHBondContact ND2-OD2 2.87Å; N102-D105 WeakPolarHBondContact OD1-CB 3.39Å; N102-D105 PolarHBondContact OD1-N 3.16Å |
| 103 | G | 88.3 | Confident | 94.2 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 75.4 | -15.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I59 R99 L100 P101 | I59-G103 WeakPolarHBondContact CD1-O 3.29Å; R99-G103 PolarHBondContact NE-O 3.15Å; R99-G103 PolarHBondContact NH2-O 3.01Å; L100-G103 PolarHBondContact O-N 2.79Å; P101-G103 PolarHBondContact O-N 3.17Å |
| 104 | R | 91.4 | Very high | 94.6 | Very high | 143 Ų | 143 | 52.1 Ų | 52.1 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -109.7 | -21.5 | -173.7 | 65.6 | 174.9 | -175.2 | -166 | -1.5 | 115.1 | L56 I59 N102 F106 | L56-R104 PolarHBondContact N-O 2.97Å; L56-R104 WeakPolarHBondContact O-CB 3.32Å; I59-R104 HydrophobicContact CD1-CB 4.31Å; I59-R104 HydrophobicContact CG1-CB 4.23Å; N102-R104 HydrophobicContact CB-CG 4.48Å; N102-R104 PolarHBondContact O-N 2.65Å; N102-R104 PolarHBondContact OD1-N 3.41Å; N102-R104 VanDerWaalsContact OD1-N 3.15Å; R104-F106 WeakPolarHBondContact O-CE2 3.36Å |
| 105 | D | 94.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146.4 | -178.8 | -61.9 | -23.5 | 0 | 0 | 0 | 110.6 | T53 C54 S55 L100 N102 | T53-D105 HydrophobicContact CG2-CB 4Å; C54-D105 CarbonylContact O-C 3.54Å; C54-D105 WeakPolarHBondContact O-CA 3.36Å; S55-D105 WeakPolarHBondContact CB-OD1 3.45Å; S55-D105 PolarHBondContact OG-OD1 3.15Å; L100-D105 HydrophobicContact CB-CB 4.19Å; L100-D105 WeakPolarHBondContact CB-O 3.34Å; L100-D105 HydrophobicContact CD1-CB 3.39Å; L100-D105 HydrophobicContact CG-CB 4.35Å; L100-D105 PolarHBondContact N-O 3.35Å; N102-D105 VanDerWaalsContact ND2-CG 3.29Å; N102-D105 PolarHBondContact ND2-OD2 2.87Å; N102-D105 WeakPolarHBondContact OD1-CB 3.39Å; N102-D105 PolarHBondContact OD1-N 3.16Å |
| 106 | F | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122 | -177.3 | -58.9 | -96.1 | 0 | 0 | 0 | 109.2 | T53 C54 L56 I59 F63 L65 F82 V97 T98 R99 R104 | T53-F106 WeakPolarHBondContact CA-O 3.27Å; C54-F106 HydrophobicContact CB-CB 4.45Å; C54-F106 PolarHBondContact N-O 2.93Å; C54-F106 PolarHBondContact O-N 2.83Å; L56-F106 HydrophobicContact CB-CE2 4.47Å; I59-F106 HydrophobicContact CD1-CE2 4.04Å; I59-F106 HydrophobicContact CD1-CZ 4.23Å; F63-F106 HydrophobicContact CE2-CZ 4.03Å; F63-F106 HydrophobicContact CZ-CE1 4.33Å; F63-F106 HydrophobicContact CZ-CE2 4.49Å; F63-F106 AromaticContact CZ-CZ 3.71Å; F63-F106 HydrophobicContact CZ-CZ 3.71Å; L65-F106 HydrophobicContact CD2-CB 3.59Å; L65-F106 HydrophobicContact CD2-CD1 3.73Å; L65-F106 HydrophobicContact CD2-CD2 3.57Å; L65-F106 HydrophobicContact CD2-CE1 4.32Å; L65-F106 HydrophobicContact CD2-CE2 4.2Å; L65-F106 HydrophobicContact CD2-CG 3.33Å; F82-F106 HydrophobicContact CD1-CD1 4.12Å; F82-F106 AromaticContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CE1-CD1 4.45Å; F82-F106 AromaticContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CG-CD1 4.28Å; F82-F106 HydrophobicContact CG-CE1 4.24Å; F82-F106 HydrophobicContact CZ-CE1 4.28Å; V97-F106 HydrophobicContact CG1-CB 4.31Å; T98-F106 CarbonylContact O-C 3.53Å; T98-F106 VanDerWaalsContact O-CA 3.29Å; T98-F106 WeakPolarHBondContact O-CA 3.26Å; R99-F106 HydrophobicContact CB-CD1 3.9Å; R99-F106 HydrophobicContact CB-CE1 3.77Å; R99-F106 HydrophobicContact CG-CD1 4.05Å; R99-F106 HydrophobicContact CG-CE1 3.55Å; R99-F106 HydrophobicContact CG-CZ 4.06Å; R104-F106 WeakPolarHBondContact O-CE2 3.36Å |
| 107 | H | 96.8 | Very high | 94.8 | Very high | 64 Ų | 64 | 52 Ų | 52 | 30% | 0.296 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.5 | 172.6 | -86.7 | -171.2 | 0 | 0 | 0 | 110.2 | T51 F52 V97 T98 L100 | T51-H107 HydrophobicContact CG2-CB 4.12Å; F52-H107 WeakPolarHBondContact O-CA 3.44Å; V97-H107 CarbonylContact C-O 3.49Å; V97-H107 VanDerWaalsContact CA-O 3.32Å; V97-H107 WeakPolarHBondContact CA-O 3.19Å; T98-H107 PolarHBondContact N-O 2.79Å; T98-H107 PolarHBondContact O-N 2.98Å; T98-H107 WeakPolarHBondContact OG1-CB 3.47Å; T98-H107 PolarHBondContact OG1-O 3.43Å; L100-H107 VanDerWaalsContact CD1-CD2 3.48Å; L100-H107 WeakPolarHBondContact CD1-CD2 3.45Å |
| 108 | M | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 100.7 | 173.7 | -61.5 | -170.1 | 170.2 | 0 | 0 | 108.1 | F37 T51 F52 C54 L65 W67 R96 V97 C123 | F37-M108 HydrophobicContact CD2-SD 4.44Å; F37-M108 HydrophobicContact CE2-CB 4.42Å; F37-M108 HydrophobicContact CE2-CG 4.39Å; F37-M108 HydrophobicContact CE2-SD 3.58Å; F37-M108 VanDerWaalsContact CE2-SD 3.58Å; F37-M108 HydrophobicContact CZ-SD 4.28Å; T51-M108 WeakPolarHBondContact CA-O 3.4Å; F52-M108 HydrophobicContact CB-CB 4.41Å; F52-M108 PolarHBondContact N-O 2.86Å; F52-M108 PolarHBondContact O-N 2.86Å; C54-M108 HydrophobicContact CB-CE 3.66Å; C54-M108 HydrophobicContact CB-SD 4.06Å; L65-M108 HydrophobicContact CD2-CE 3.7Å; L65-M108 HydrophobicContact CG-CE 3.9Å; W67-M108 HydrophobicContact CB-CE 4.07Å; W67-M108 HydrophobicContact CB-CG 4.49Å; W67-M108 HydrophobicContact CB-SD 3.67Å; W67-M108 HydrophobicContact CD2-CB 3.82Å; W67-M108 HydrophobicContact CD2-CG 4.31Å; W67-M108 HydrophobicContact CD2-SD 4.11Å; W67-M108 HydrophobicContact CE3-CB 4.05Å; W67-M108 HydrophobicContact CG-CB 4.21Å; W67-M108 HydrophobicContact CG-CE 4.5Å; W67-M108 HydrophobicContact CG-CG 4.22Å; W67-M108 HydrophobicContact CG-SD 3.47Å; W67-M108 HydrophobicContact CH2-CB 4.22Å; W67-M108 HydrophobicContact CZ2-CB 4.08Å; W67-M108 HydrophobicContact CZ3-CB 4.22Å; R96-M108 CarbonylContact O-C 3.55Å; R96-M108 WeakPolarHBondContact O-CA 3.29Å; V97-M108 HydrophobicContact CG1-CE 4.24Å; V97-M108 HydrophobicContact CG1-CG 4.33Å; V97-M108 HydrophobicContact CG2-CG 4.28Å; M108-C123 HydrophobicContact CE-CB 3.26Å; M108-C123 HydrophobicContact SD-CB 3.65Å |
| 109 | S | 96.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.6 | -169.8 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | A50 F95 R96 | A50-S109 CarbonylContact O-C 3.59Å; A50-S109 WeakPolarHBondContact O-CA 3.49Å; F95-S109 WeakPolarHBondContact CA-O 3.42Å; R96-S109 PolarHBondContact N-O 2.8Å; R96-S109 PolarHBondContact O-N 3.29Å |
| 110 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.2 | 166.3 | -45.5 | -178.2 | 0 | 0 | 0 | 107.7 | N49 A50 W67 R94 F95 D117 Y121 L142 | N49-I110 VanDerWaalsContact CA-O 3.27Å; N49-I110 WeakPolarHBondContact CA-O 3.49Å; A50-I110 HydrophobicContact CB-CB 4.24Å; A50-I110 HydrophobicContact CB-CD1 4.42Å; A50-I110 HydrophobicContact CB-CG1 4.34Å; A50-I110 PolarHBondContact N-O 2.89Å; A50-I110 PolarHBondContact O-N 2.87Å; W67-I110 HydrophobicContact CH2-CD1 4.27Å; W67-I110 HydrophobicContact CH2-CG1 3.45Å; W67-I110 VanDerWaalsContact CH2-CG1 3.45Å; W67-I110 HydrophobicContact CZ2-CG1 4.11Å; W67-I110 HydrophobicContact CZ3-CG1 4.38Å; R94-I110 HydrophobicContact CB-CG2 4.47Å; R94-I110 WeakPolarHBondContact O-CA 3.5Å; F95-I110 HydrophobicContact CD1-CD1 4.23Å; F95-I110 HydrophobicContact CD1-CG1 3.85Å; F95-I110 HydrophobicContact CE1-CD1 3.62Å; F95-I110 HydrophobicContact CE1-CG1 3.73Å; F95-I110 HydrophobicContact CE1-CG2 4.21Å; F95-I110 HydrophobicContact CZ-CD1 4.42Å; F95-I110 HydrophobicContact CZ-CG2 4.38Å; I110-D117 HydrophobicContact CD1-CB 4.18Å; I110-Y121 HydrophobicContact CD1-CE1 4.38Å; I110-L142 HydrophobicContact CD1-CD2 3.44Å; I110-L142 VanDerWaalsContact CD1-CD2 3.44Å |
| 111 | V | 96.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -82.7 | 130.4 | 173.2 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | N49 R94 | N49-V111 WeakPolarHBondContact OD1-CA 3.29Å; R94-V111 WeakPolarHBondContact CB-O 3.49Å; R94-V111 WeakPolarHBondContact CD-O 3.33Å; R94-V111 WeakPolarHBondContact CG-O 3.35Å; R94-V111 PolarHBondContact O-N 3.06Å |
| 112 | A | 96.6 | Very high | 95.7 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 49.9 | 71.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N49 R94 | N49-A112 PolarHBondContact OD1-N 2.82Å; N49-A112 VanDerWaalsContact OD1-N 3.16Å; R94-A112 PolarHBondContact NH1-O 2.99Å |
| 113 | A | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | trans | -57.9 | 139 | -180 | 0 | 0 | 0 | 0 | 0 | 111 | V44 G47 E48 V144 | V44-A113 HydrophobicContact CG2-CB 4Å; G47-A113 PolarHBondContact N-O 3.49Å; E48-A113 WeakPolarHBondContact O-CB 3.37Å; E48-A113 PolarHBondContact O-N 2.68Å; A113-V144 HydrophobicContact CB-CG1 4.15Å; A113-V144 HydrophobicContact CB-CG2 4.02Å | ||
| 114 | R | 97.1 | Very high | 96.2 | Very high | 121 Ų | 121 | 36.3 Ų | 36.3 | 46% | 0.457 | 19% | 0.189 | S | C | . | . | trans | -109 | 155.6 | 178.4 | -64.2 | 170.2 | -176.4 | 171.1 | -0.4 | 109.2 | N116 D117 V144 | R114-N116 WeakPolarHBondContact CB-OD1 3.47Å; R114-N116 PolarHBondContact O-N 2.98Å; R114-N116 VanDerWaalsContact O-N 3.13Å; R114-D117 PolarHBondContact N-OD2 3.03Å; R114-D117 VanDerWaalsContact O-CB 3.29Å; R114-D117 WeakPolarHBondContact O-CB 3.46Å; R114-D117 PolarHBondContact O-N 2.87Å; R114-V144 WeakPolarHBondContact O-CG2 3.28Å | ||
| 115 | L | 97 | Very high | 96.2 | Very high | 69 Ų | 69 | 29.5 Ų | 29.5 | 36% | 0.361 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -52.6 | -38.8 | 176.4 | -66.7 | 173.1 | 0 | 0 | 0 | 112.8 | D117 S118 V144 E146 | L115-D117 PolarHBondContact O-N 2.59Å; L115-S118 WeakPolarHBondContact O-CB 3.17Å; L115-S118 PolarHBondContact O-N 2.9Å; L115-S118 PolarHBondContact O-OG 2.89Å; L115-V144 HydrophobicContact CD2-CG1 4.46Å; L115-V144 WeakPolarHBondContact CD2-O 3.49Å; L115-E146 HydrophobicContact CD1-CG 4.14Å; L115-E146 HydrophobicContact CD2-CG 4.08Å |
| 116 | N | 94.8 | Very high | 96.1 | Very high | 107 Ų | 107 | 30.3 Ų | 30.3 | 57% | 0.572 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -75.5 | -2.5 | 179.2 | 73.7 | -11.7 | 0 | 0 | 0 | 114.7 | R69 R114 S118 | R69-N116 VanDerWaalsContact CZ-O 3.28Å; R69-N116 PolarHBondContact NH1-O 2.79Å; R69-N116 PolarHBondContact NH2-O 2.84Å; R114-N116 WeakPolarHBondContact CB-OD1 3.47Å; R114-N116 PolarHBondContact O-N 2.98Å; R114-N116 VanDerWaalsContact O-N 3.13Å; N116-S118 VanDerWaalsContact C-N 3.28Å |
| 117 | D | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -81.1 | -10.3 | 169.7 | -61.8 | -37.9 | 0 | 0 | 0 | 111.5 | R94 I110 R114 L115 G119 Y121 L142 V144 | R94-D117 IonicContact CZ-OD1 3.8Å; R94-D117 IonicContact CZ-OD2 3.42Å; R94-D117 IonicContact NH1-OD1 2.68Å; R94-D117 IonicContact NH1-OD2 3.17Å; R94-D117 PolarHBondContact NH1-OD2 3.03Å; R94-D117 IonicContact NH2-OD1 2.88Å; R94-D117 PolarHBondContact NH2-OD1 2.78Å; R94-D117 IonicContact NH2-OD2 3.27Å; R94-D117 PolarHBondContact NH2-OD2 2.96Å; I110-D117 HydrophobicContact CD1-CB 4.18Å; R114-D117 PolarHBondContact N-OD2 3.03Å; R114-D117 VanDerWaalsContact O-CB 3.29Å; R114-D117 WeakPolarHBondContact O-CB 3.46Å; R114-D117 PolarHBondContact O-N 2.87Å; L115-D117 PolarHBondContact O-N 2.59Å; D117-G119 PolarHBondContact O-N 2.94Å; D117-Y121 WeakPolarHBondContact O-CE2 3.02Å; D117-Y121 PolarHBondContact O-OH 3.09Å; D117-L142 HydrophobicContact CB-CD2 4.45Å; D117-V144 HydrophobicContact CB-CG2 4.37Å |
| 118 | S | 97 | Very high | 95.3 | Very high | 41 Ų | 41 | 30.5 Ų | 30.5 | 29% | 0.287 | 17% | 0.169 | S | C | . | . | trans | -58.2 | 137.8 | 176.2 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | R69 L115 N116 L142 V144 | R69-S118 PolarHBondContact NH2-O 3.26Å; L115-S118 WeakPolarHBondContact O-CB 3.17Å; L115-S118 PolarHBondContact O-N 2.9Å; L115-S118 PolarHBondContact O-OG 2.89Å; N116-S118 VanDerWaalsContact C-N 3.28Å; S118-L142 CarbonylContact C-O 3.56Å; S118-L142 WeakPolarHBondContact CA-O 3.45Å; S118-V144 PolarHBondContact OG-N 2.53Å | ||
| 119 | G | 96.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -164.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D117 Y121 L142 | D117-G119 PolarHBondContact O-N 2.94Å; G119-Y121 WeakPolarHBondContact O-CD2 3.32Å; G119-L142 PolarHBondContact N-O 2.78Å; G119-L142 PolarHBondContact O-N 3.27Å |
| 120 | I | 97.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.6 | -175.3 | -55.6 | -59.1 | 0 | 0 | 0 | 110.8 | R69 L70 R139 A140 E141 | R69-I120 WeakPolarHBondContact CA-O 3.19Å; L70-I120 HydrophobicContact CB-CB 4.22Å; L70-I120 HydrophobicContact CD2-CG2 4.27Å; L70-I120 PolarHBondContact N-O 3.07Å; I120-R139 HydrophobicContact CG2-CB 3.7Å; I120-R139 HydrophobicContact CG2-CG 4.02Å; I120-A140 CarbonylContact C-O 3.46Å; I120-A140 WeakPolarHBondContact CA-O 3.07Å; I120-E141 HydrophobicContact CD1-CB 3.73Å; I120-E141 HydrophobicContact CD1-CG 3.88Å |
| 121 | Y | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 151.9 | -175.4 | -67.3 | -94.3 | 0 | 0 | 0 | 111.2 | F37 F52 W67 Y68 R69 L79 F95 I110 D117 G119 A140 L142 | F37-Y121 WeakPolarHBondContact CE1-O 3.28Å; F52-Y121 HydrophobicContact CE2-CD2 4.48Å; W67-Y121 AromaticContact CE2-CD1 3.84Å; W67-Y121 AromaticContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CE1 4.19Å; W67-Y121 AromaticContact NE1-CD1 3.55Å; Y68-Y121 WeakPolarHBondContact O-CA 3.41Å; R69-Y121 HydrophobicContact CB-CD1 4.15Å; R69-Y121 HydrophobicContact CB-CE1 3.94Å; R69-Y121 HydrophobicContact CG-CD1 4.49Å; R69-Y121 HydrophobicContact CG-CE1 4.07Å; L79-Y121 HydrophobicContact CD1-CD1 3.65Å; L79-Y121 HydrophobicContact CD1-CE1 3.48Å; L79-Y121 VanDerWaalsContact CD1-CE1 3.48Å; F95-Y121 HydrophobicContact CE1-CE1 4.33Å; I110-Y121 HydrophobicContact CD1-CE1 4.38Å; D117-Y121 WeakPolarHBondContact O-CE2 3.02Å; D117-Y121 PolarHBondContact O-OH 3.09Å; G119-Y121 WeakPolarHBondContact O-CD2 3.32Å; Y121-A140 PolarHBondContact N-O 2.78Å; Y121-A140 PolarHBondContact O-N 2.81Å; Y121-L142 HydrophobicContact CD2-CB 3.86Å; Y121-L142 HydrophobicContact CE2-CB 3.65Å; Y121-L142 HydrophobicContact CE2-CD2 3.91Å; Y121-L142 HydrophobicContact CE2-CG 4.42Å |
| 122 | L | 96.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 159.8 | 171.6 | 67.6 | 101.3 | 0 | 0 | 0 | 111.2 | Y68 L70 E136 R139 | Y68-L122 HydrophobicContact CD2-CD1 3.94Å; Y68-L122 PolarHBondContact N-O 3.16Å; Y68-L122 PolarHBondContact O-N 3.29Å; Y68-L122 VanDerWaalsContact O-N 3.14Å; L70-L122 HydrophobicContact CD1-CD2 3.31Å; L70-L122 HydrophobicContact CD1-CG 4.34Å; L122-E136 HydrophobicContact CD1-CB 4.2Å; L122-E136 HydrophobicContact CD1-CG 4.21Å; L122-R139 HydrophobicContact CD2-CG 4.29Å |
| 123 | C | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 149 | 170.1 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | F37 C54 N66 M108 S137 | F37-C123 HydrophobicContact CD2-CB 4.19Å; F37-C123 HydrophobicContact CE2-CB 4.37Å; C54-C123 HydrophobicContact CB-CB 3.72Å; C54-C123 WeakPolarHBondContact CB-SG 3.36Å; C54-C123 WeakPolarHBondContact SG-CB 3.46Å; C54-C123 CovalentContact SG-SG 2.04Å; C54-C123 PolarHBondContact SG-SG 2.69Å; N66-C123 WeakPolarHBondContact O-CA 3.26Å; M108-C123 HydrophobicContact CE-CB 3.26Å; M108-C123 HydrophobicContact SD-CB 3.65Å; C123-S137 PolarHBondContact N-OG 3.48Å; C123-S137 PolarHBondContact O-N 2.91Å; C123-S137 PolarHBondContact O-OG 3.21Å; C123-S137 VanDerWaalsContact SG-CB 3.51Å |
| 124 | G | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 131.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N66 N135 | N66-G124 PolarHBondContact N-O 3.44Å; N66-G124 PolarHBondContact O-N 3.11Å; G124-N135 CarbonylContact C-O 3.59Å; G124-N135 WeakPolarHBondContact CA-O 3.4Å |
| 125 | A | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L35 L56 L65 I134 N135 | L35-A125 HydrophobicContact CD1-CB 4.06Å; L35-A125 HydrophobicContact CD2-CB 3.89Å; L35-A125 HydrophobicContact CG-CB 4.49Å; L56-A125 HydrophobicContact CD2-CB 4.47Å; L65-A125 HydrophobicContact CD1-CB 4.09Å; A125-I134 WeakPolarHBondContact O-CA 3.19Å; A125-N135 PolarHBondContact N-O 3.11Å; A125-N135 PolarHBondContact O-N 3.12Å |
| 126 | I | 91.2 | Very high | 90.9 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 112.9 | 170.3 | -54.7 | 179.3 | 0 | 0 | 0 | 107.3 | F63 V64 N66 Q133 I134 | F63-I126 CarbonylContact C-O 3.57Å; F63-I126 VanDerWaalsContact CA-O 3.22Å; F63-I126 WeakPolarHBondContact CA-O 3.42Å; F63-I126 WeakPolarHBondContact CB-O 3.31Å; V64-I126 PolarHBondContact N-O 2.99Å; V64-I126 PolarHBondContact O-N 3.45Å; N66-I126 VanDerWaalsContact ND2-CD1 3.31Å; N66-I126 WeakPolarHBondContact ND2-CD1 3.45Å; I126-Q133 WeakPolarHBondContact CA-O 3.36Å; I126-I134 HydrophobicContact CG1-CG1 4.21Å; I126-I134 HydrophobicContact CG1-CG2 4.42Å; I126-I134 HydrophobicContact CG2-CG1 4.39Å |
| 127 | Y | 88.9 | Confident | 90.9 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 132.9 | 172.9 | -55.7 | -87.2 | 0 | 0 | 0 | 108.8 | P60 N131 T132 Q133 N135 | P60-Y127 HydrophobicContact CB-CD1 3.75Å; P60-Y127 HydrophobicContact CB-CE1 4.01Å; P60-Y127 HydrophobicContact CG-CD1 3.57Å; P60-Y127 HydrophobicContact CG-CE1 3.63Å; Y127-N131 WeakPolarHBondContact CB-O 3.34Å; Y127-T132 WeakPolarHBondContact O-CA 3.27Å; Y127-Q133 HydrophobicContact CD2-CB 3.81Å; Y127-Q133 HydrophobicContact CD2-CG 4.42Å; Y127-Q133 WeakPolarHBondContact CD2-O 3.45Å; Y127-Q133 PolarHBondContact N-O 3.11Å; Y127-N135 HydrophobicContact CE2-CB 4.14Å; Y127-N135 PolarHBondContact OH-ND2 2.89Å |
| 128 | L | 86.8 | Confident | 90.8 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 162.3 | -179.3 | -64.2 | 178.9 | 0 | 0 | 0 | 110.7 | S62 V64 | S62-L128 PolarHBondContact O-N 3.33Å; S62-L128 WeakPolarHBondContact OG-CB 3.3Å; S62-L128 VanDerWaalsContact OG-CD1 3.23Å; S62-L128 WeakPolarHBondContact OG-CD1 3.16Å; V64-L128 HydrophobicContact CG2-CD1 4.2Å; V64-L128 HydrophobicContact CG2-CD2 4.39Å |
| 129 | P | 83.8 | Confident | 90.8 | Very high | 99 Ų | 99 | 56.1 Ų | 56.1 | 64% | 0.643 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 146.2 | -177.2 | -29.1 | 35.2 | 0 | 0 | 0 | 113.5 | ||
| 130 | P | 80.5 | Confident | 90.8 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 81% | 0.805 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86 | -17.7 | 18 | 32.5 | -36 | 0 | 0 | 0 | 115.7 | ||
| 131 | N | 75.4 | Confident | 90.9 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -107.1 | 74.5 | -175.8 | -67.8 | -18.9 | 0 | 0 | 0 | 110.3 | Y127 Q133 | Y127-N131 WeakPolarHBondContact CB-O 3.34Å; N131-Q133 PolarHBondContact O-N 3.13Å |
| 132 | T | 85.1 | Confident | 90.9 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 60% | 0.595 | 30% | 0.301 | S | S | * | . | trans | -70.1 | 114.4 | 179.3 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | Y127 | Y127-T132 WeakPolarHBondContact O-CA 3.27Š| ||
| 133 | Q | 86.1 | Confident | 91 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 159.8 | 176.9 | -174.4 | -177.2 | 59 | 0 | 0 | 109.4 | I126 Y127 N131 N135 | I126-Q133 WeakPolarHBondContact CA-O 3.36Å; Y127-Q133 HydrophobicContact CD2-CB 3.81Å; Y127-Q133 HydrophobicContact CD2-CG 4.42Å; Y127-Q133 WeakPolarHBondContact CD2-O 3.45Å; Y127-Q133 PolarHBondContact N-O 3.11Å; N131-Q133 PolarHBondContact O-N 3.13Å; Q133-N135 WeakPolarHBondContact CG-OD1 3.39Å; Q133-N135 PolarHBondContact OE1-OD1 2.98Å |
| 134 | I | 88.6 | Confident | 91.1 | Very high | 105 Ų | 105 | 59.1 Ų | 59.1 | 54% | 0.538 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.9 | 174.7 | -53.6 | 178.4 | 0 | 0 | 0 | 108.3 | A125 I126 | A125-I134 WeakPolarHBondContact O-CA 3.19Å; I126-I134 HydrophobicContact CG1-CG1 4.21Å; I126-I134 HydrophobicContact CG1-CG2 4.42Å; I126-I134 HydrophobicContact CG2-CG1 4.39Å |
| 135 | N | 90.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131 | 173.1 | -66.3 | 8.8 | 0 | 0 | 0 | 109.2 | L35 G124 A125 Y127 Q133 | L35-N135 HydrophobicContact CD1-CB 3.56Å; G124-N135 CarbonylContact C-O 3.59Å; G124-N135 WeakPolarHBondContact CA-O 3.4Å; A125-N135 PolarHBondContact N-O 3.11Å; A125-N135 PolarHBondContact O-N 3.12Å; Y127-N135 HydrophobicContact CE2-CB 4.14Å; Y127-N135 PolarHBondContact OH-ND2 2.89Å; Q133-N135 WeakPolarHBondContact CG-OD1 3.39Å; Q133-N135 PolarHBondContact OE1-OD1 2.98Å |
| 136 | E | 93.4 | Very high | 91.4 | Very high | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.5 | 176.2 | -66.7 | -175 | 166.9 | 0 | 0 | 110.3 | L122 | L122-E136 HydrophobicContact CD1-CB 4.2Å; L122-E136 HydrophobicContact CD1-CG 4.21Å |
| 137 | S | 95 | Very high | 91.3 | Very high | 11 Ų | 11 | 75.1 Ų | 75.1 | 8% | 0.077 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 166.8 | 173.3 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | F37 C123 | F37-S137 VanDerWaalsContact CB-OG 3.28Å; F37-S137 WeakPolarHBondContact CB-OG 3.18Å; C123-S137 PolarHBondContact N-OG 3.48Å; C123-S137 PolarHBondContact O-N 2.91Å; C123-S137 PolarHBondContact O-OG 3.21Å; C123-S137 VanDerWaalsContact SG-CB 3.51Å |
| 138 | P | 94.9 | Very high | 91.1 | Very high | 83 Ų | 83 | 79 Ų | 79 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 156.2 | 158 | -23.9 | 34.6 | 0 | 0 | 0 | 111.8 | L35 | L35-P138 WeakPolarHBondContact O-CD 3.32Š|
| 139 | R | 95.4 | Very high | 90.7 | Very high | 161 Ų | 161 | 83.7 Ų | 83.7 | 61% | 0.608 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 143 | 178.2 | -64.6 | 175.1 | -174.1 | -176.6 | 0.3 | 110.2 | I120 L122 | I120-R139 HydrophobicContact CG2-CB 3.7Å; I120-R139 HydrophobicContact CG2-CG 4.02Å; L122-R139 HydrophobicContact CD2-CG 4.29Å |
| 140 | A | 97.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 86.1 Ų | 86.1 | 1% | 0.008 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F37 P39 A40 F52 I120 Y121 | F37-A140 HydrophobicContact CD1-CB 3.5Å; F37-A140 HydrophobicContact CE1-CB 3.67Å; P39-A140 VanDerWaalsContact O-CB 3.24Å; P39-A140 WeakPolarHBondContact O-CB 3.02Å; A40-A140 CarbonylContact O-C 3.48Å; A40-A140 WeakPolarHBondContact O-CA 3.46Å; F52-A140 HydrophobicContact CD1-CB 4.02Å; F52-A140 HydrophobicContact CE1-CB 3.66Å; F52-A140 HydrophobicContact CZ-CB 4.44Å; I120-A140 CarbonylContact C-O 3.46Å; I120-A140 WeakPolarHBondContact CA-O 3.07Å; Y121-A140 PolarHBondContact N-O 2.78Å; Y121-A140 PolarHBondContact O-N 2.81Å |
| 141 | E | 98.1 | Very high | 89.4 | Confident | 84 Ų | 84 | 84.8 Ų | 84.8 | 39% | 0.393 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.1 | 179.1 | -175.1 | 168.6 | -159.5 | 0 | 0 | 110.9 | A40 Q41 L42 I120 | A40-E141 PolarHBondContact O-N 3.5Å; Q41-E141 CarbonylContact C-O 3.56Å; Q41-E141 WeakPolarHBondContact CA-O 3.36Å; Q41-E141 HydrophobicContact CG-CB 4.25Å; L42-E141 PolarHBondContact N-O 3.02Å; I120-E141 HydrophobicContact CD1-CB 3.73Å; I120-E141 HydrophobicContact CD1-CG 3.88Å |
| 142 | L | 98.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.005 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.3 | 169.3 | 179.1 | 62.5 | 0 | 0 | 0 | 109.4 | L42 V44 A50 F52 I110 D117 S118 G119 Y121 V144 | L42-L142 HydrophobicContact CB-CD1 4.17Å; L42-L142 HydrophobicContact CD2-CD1 4.03Å; L42-L142 HydrophobicContact CG-CD1 4Å; L42-L142 CarbonylContact O-C 3.55Å; L42-L142 WeakPolarHBondContact O-CA 3.29Å; V44-L142 HydrophobicContact CG2-CD1 4.12Å; A50-L142 HydrophobicContact CB-CD1 3.73Å; A50-L142 HydrophobicContact CB-CD2 4.07Å; F52-L142 HydrophobicContact CE2-CB 4.2Å; F52-L142 HydrophobicContact CE2-CD1 4.45Å; F52-L142 HydrophobicContact CZ-CB 3.94Å; F52-L142 HydrophobicContact CZ-CD1 4.36Å; I110-L142 HydrophobicContact CD1-CD2 3.44Å; I110-L142 VanDerWaalsContact CD1-CD2 3.44Å; D117-L142 HydrophobicContact CB-CD2 4.45Å; S118-L142 CarbonylContact C-O 3.56Å; S118-L142 WeakPolarHBondContact CA-O 3.45Å; G119-L142 PolarHBondContact N-O 2.78Å; G119-L142 PolarHBondContact O-N 3.27Å; Y121-L142 HydrophobicContact CD2-CB 3.86Å; Y121-L142 HydrophobicContact CE2-CB 3.65Å; Y121-L142 HydrophobicContact CE2-CD2 3.91Å; Y121-L142 HydrophobicContact CE2-CG 4.42Å; L142-V144 HydrophobicContact CD1-CG2 4.41Å; L142-V144 HydrophobicContact CD2-CG2 4.09Å; L142-V144 HydrophobicContact CG-CG2 4.01Å |
| 143 | S | 98.3 | Very high | 86.7 | Confident | 44 Ų | 44 | 86 Ų | 86 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115 | 171 | -70.3 | 0 | 0 | 0 | 0 | 109.5 | L42 T43 V44 | L42-S143 PolarHBondContact O-N 2.88Å; T43-S143 VanDerWaalsContact CA-O 3.27Å; T43-S143 WeakPolarHBondContact CA-O 3.49Å; V44-S143 PolarHBondContact N-O 2.04Å |
| 144 | V | 98.1 | Very high | 85 | Confident | 11 Ų | 11 | 92.3 Ų | 92.3 | 7% | 0.067 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.7 | 174.1 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | V44 E46 A113 R114 L115 D117 S118 L142 | V44-V144 HydrophobicContact CG2-CG1 4.41Å; V44-V144 HydrophobicContact CG2-CG2 4.04Å; V44-V144 CarbonylContact O-C 3.49Å; V44-V144 WeakPolarHBondContact O-CA 3.28Å; E46-V144 HydrophobicContact CB-CG1 4.22Å; A113-V144 HydrophobicContact CB-CG1 4.15Å; A113-V144 HydrophobicContact CB-CG2 4.02Å; R114-V144 WeakPolarHBondContact O-CG2 3.28Å; L115-V144 HydrophobicContact CD2-CG1 4.46Å; L115-V144 WeakPolarHBondContact CD2-O 3.49Å; D117-V144 HydrophobicContact CB-CG2 4.37Å; S118-V144 PolarHBondContact OG-N 2.53Å; L142-V144 HydrophobicContact CD1-CG2 4.41Å; L142-V144 HydrophobicContact CD2-CG2 4.09Å; L142-V144 HydrophobicContact CG-CG2 4.01Å |
| 145 | T | 97.5 | Very high | 83.2 | Confident | 65 Ų | 65 | 91.3 Ų | 91.3 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 156.7 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | T43 V44 Q45 E46 | T43-T145 HydrophobicContact CG2-CG2 3.95Å; V44-T145 PolarHBondContact O-N 3.39Å; V44-T145 PolarHBondContact O-OG1 3.21Å; Q45-T145 CarbonylContact C-O 3.54Å; E46-T145 PolarHBondContact N-O 3.02Å |
| 146 | E | 96 | Very high | 81.4 | Confident | 145 Ų | 145 | 95.6 Ų | 95.6 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 146.1 | 173.4 | -68.3 | -179.7 | 178.5 | 0 | 0 | 111 | L115 T148 | L115-E146 HydrophobicContact CD1-CG 4.14Å; L115-E146 HydrophobicContact CD2-CG 4.08Å; E146-T148 PolarHBondContact O-N 3.45Å |
| 147 | R | 89.9 | Confident | 79.4 | Confident | 169 Ų | 169 | 94.9 Ų | 94.9 | 64% | 0.638 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -67 | 121.6 | 174.4 | -171.2 | 172.8 | -176 | 156.2 | 2.2 | 108.5 | E46 L149 | E46-R147 HydrophobicContact CB-CB 4.43Å; R147-L149 PolarHBondContact O-N 2.88Å |
| 148 | T | 84.4 | Confident | 77.5 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | trans | -70.4 | 106.9 | 170.8 | -56.9 | 0 | 0 | 0 | 0 | 107 | E146 E150 | E146-T148 PolarHBondContact O-N 3.45Å; T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 3.28Å | ||
| 149 | L | 78.8 | Confident | 75.9 | Confident | 151 Ų | 151 | 100.5 Ų | 100.5 | 79% | 0.791 | 55% | 0.553 | S | S | * | * | trans | -67 | 98.2 | 161.3 | -69.3 | 172.4 | 0 | 0 | 0 | 105.2 | R147 P151 | R147-L149 PolarHBondContact O-N 2.88Å; L149-P151 VanDerWaalsContact O-CD 3.3Å; L149-P151 WeakPolarHBondContact O-CD 3.49Å | ||
| 150 | E | 70.6 | Confident | 73.7 | Confident | 149 Ų | 149 | 98.6 Ų | 98.6 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | trans | -50.8 | 118.9 | 164.4 | -160.2 | 177.4 | 157.1 | 0 | 0 | 105.3 | T148 T153 | T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 3.28Å; E150-T153 PolarHBondContact OE1-OG1 2.92Å | ||
| 151 | P | 65.3 | Low | 71.8 | Confident | 96 Ų | 96 | 109.8 Ų | 109.8 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | trans | -49.6 | 142 | 173.1 | -21.1 | 30.4 | 0 | 0 | 0 | 106.3 | L149 T153 | L149-P151 VanDerWaalsContact O-CD 3.3Å; L149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-T153 PolarHBondContact O-N 3.13Å | ||
| 152 | P | 54.1 | Low | 69.7 | Low | 127 Ų | 127 | 112.3 Ų | 112.3 | 83% | 0.825 | 62% | 0.619 | S | S | * | * | trans | -53.3 | 102.7 | 174.4 | 21.5 | -30.5 | 0 | 0 | 0 | 106.8 | Q154 | P152-Q154 PolarHBondContact O-N 3.36Š| ||
| 153 | T | 50 | Low | 67.5 | Low | 103 Ų | 103 | 115.7 Ų | 115.7 | 63% | 0.632 | 64% | 0.642 | S | S | * | * | trans | -60.8 | 103.2 | 172.4 | -69.5 | 0 | 0 | 0 | 0 | 101.9 | E150 P151 S155 | E150-T153 PolarHBondContact OE1-OG1 2.92Å; P151-T153 PolarHBondContact O-N 3.13Å; T153-S155 PolarHBondContact O-N 3.07Å | ||
| 154 | Q | 50.3 | Low | 65.4 | Low | 186 Ų | 186 | 116.3 Ų | 116.3 | 87% | 0.869 | 66% | 0.656 | S | S | * | * | trans | -65.4 | 84.9 | 175.7 | -161.2 | 179.2 | 40.4 | 0 | 0 | 104.1 | P152 P156 | P152-Q154 PolarHBondContact O-N 3.36Å; Q154-P156 WeakPolarHBondContact O-CD 3.38Å; Q154-P156 VanDerWaalsContact O-N 3.08Å | ||
| 155 | S | 51.3 | Low | 63.4 | Low | 84 Ų | 84 | 123.8 Ų | 123.8 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 120 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 104.7 | T153 S157 | T153-S155 PolarHBondContact O-N 3.07Å; S155-S157 PolarHBondContact O-N 2.91Å |
| 156 | P | 52 | Low | 61.5 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 122 | 169.6 | 21.9 | -28.5 | 0 | 0 | 0 | 105.9 | Q154 | Q154-P156 WeakPolarHBondContact O-CD 3.38Å; Q154-P156 VanDerWaalsContact O-N 3.08Å |
| 157 | S | 50.9 | Low | 59.6 | Low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 128.5 | 177.7 | -45.3 | 0 | 0 | 0 | 0 | 108.2 | S155 | S155-S157 PolarHBondContact O-N 2.91Š|
| 158 | P | 56.3 | Low | 58.1 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 136.1 | 175 | 22.9 | -30.9 | 0 | 0 | 0 | 108.1 | ||
| 159 | P | 61 | Low | 57 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 145.4 | 178.7 | 23.3 | -32.7 | 0 | 0 | 0 | 109.3 | R161 | P159-R161 PolarHBondContact O-N 3.41Š|
| 160 | P | 49.6 | Very low | 56.5 | Low | 121 Ų | 121 | 117 Ų | 117 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | trans | -54.7 | 115.4 | -178.6 | 22.2 | -32 | 0 | 0 | 0 | 108.5 | L162 | P160-L162 PolarHBondContact O-N 2.84Š| ||
| 161 | R | 56.4 | Low | 56.3 | Low | 237 Ų | 237 | 115.3 Ų | 115.3 | 89% | 0.894 | 67% | 0.668 | S | S | * | * | trans | -70.9 | 78.5 | 175.7 | -74.9 | -165.8 | 178.2 | 178.6 | 1.4 | 109.1 | P159 S163 | P159-R161 PolarHBondContact O-N 3.41Å; R161-S163 PolarHBondContact O-N 2.85Å | ||
| 162 | L | 53.9 | Low | 56.6 | Low | 137 Ų | 137 | 112.4 Ų | 112.4 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 60.4 | 170 | -143.8 | 140.1 | 0 | 0 | 0 | 108.4 | P160 | P160-L162 PolarHBondContact O-N 2.84Š|
| 163 | S | 53.1 | Low | 57.6 | Low | 71 Ų | 71 | 110.7 Ų | 110.7 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.7 | -11.4 | -178.4 | -144.6 | 0 | 0 | 0 | 0 | 114.1 | R161 | R161-S163 PolarHBondContact O-N 2.85Š|
| 164 | G | 53.9 | Low | 58.9 | Low | 58 Ų | 58 | 109.3 Ų | 109.3 | 60% | 0.598 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.6 | -30.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G168 | G164-G168 PolarHBondContact O-N 2.91Å |
| 165 | Q | 56.4 | Low | 60.3 | Low | 168 Ų | 168 | 104.3 Ų | 104.3 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.6 | -30.9 | -169.4 | -162.5 | 166.4 | -13.4 | 0 | 0 | 113.5 | L169 | Q165-L169 PolarHBondContact O-N 3.44Å |
| 166 | L | 56.5 | Low | 62 | Low | 114 Ų | 114 | 105 Ų | 105 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.9 | -36.6 | 174.9 | -93.5 | 145.8 | 0 | 0 | 0 | 112.3 | L169 V170 | L166-L169 PolarHBondContact O-N 2.88Å; L166-V170 VanDerWaalsContact O-CG2 3.23Å; L166-V170 WeakPolarHBondContact O-CG2 3.24Å; L166-V170 PolarHBondContact O-N 2.98Å |
| 167 | Q | 56.6 | Low | 63.8 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.3 | -41.4 | 177.3 | -73.8 | -170.6 | -29.3 | 0 | 0 | 112.2 | L169 V170 I171 | Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 3.01Å; Q167-V170 PolarHBondContact O-N 3.06Å; Q167-I171 WeakPolarHBondContact O-CB 3.19Å; Q167-I171 WeakPolarHBondContact O-CD1 3.41Å; Q167-I171 WeakPolarHBondContact O-CG1 3.37Å; Q167-I171 PolarHBondContact O-N 3.29Å |
| 168 | G | 58.7 | Low | 65.7 | Low | 45 Ų | 45 | 104.5 Ų | 104.5 | 46% | 0.464 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.6 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G164 G172 | G164-G168 PolarHBondContact O-N 2.91Å; G168-G172 PolarHBondContact O-N 2.9Å |
| 169 | L | 62.3 | Low | 67.3 | Low | 114 Ų | 114 | 100.9 Ų | 100.9 | 60% | 0.597 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.8 | -42.2 | 175.6 | -170.4 | 70.1 | 0 | 0 | 0 | 111.8 | Q165 L166 Q167 G172 V173 | Q165-L169 PolarHBondContact O-N 3.44Å; L166-L169 PolarHBondContact O-N 2.88Å; Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 3.01Å; L169-G172 PolarHBondContact O-N 2.99Å; L169-V173 HydrophobicContact CD1-CG2 4.49Å; L169-V173 HydrophobicContact CG-CG2 4.47Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.23Å; L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 2.86Å |
| 170 | V | 67.1 | Low | 68.8 | Low | 86 Ų | 86 | 99.4 Ų | 99.4 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -41.8 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L166 Q167 T174 | L166-V170 VanDerWaalsContact O-CG2 3.23Å; L166-V170 WeakPolarHBondContact O-CG2 3.24Å; L166-V170 PolarHBondContact O-N 2.98Å; Q167-V170 PolarHBondContact O-N 3.06Å; V170-T174 HydrophobicContact CG1-CG2 4.29Å; V170-T174 VanDerWaalsContact O-CB 3.31Å; V170-T174 WeakPolarHBondContact O-CB 3.33Å; V170-T174 WeakPolarHBondContact O-CG2 3.21Å; V170-T174 PolarHBondContact O-N 2.9Å; V170-T174 PolarHBondContact O-OG1 2.83Å |
| 171 | I | 66.1 | Low | 70.9 | Confident | 114 Ų | 114 | 99 Ų | 99 | 59% | 0.585 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 176.4 | -65 | 163.8 | 0 | 0 | 0 | 110.8 | Q167 T174 S175 | Q167-I171 WeakPolarHBondContact O-CB 3.19Å; Q167-I171 WeakPolarHBondContact O-CD1 3.41Å; Q167-I171 WeakPolarHBondContact O-CG1 3.37Å; Q167-I171 PolarHBondContact O-N 3.29Å; I171-T174 WeakPolarHBondContact CA-OG1 3.25Å; I171-T174 PolarHBondContact O-OG1 3.38Å; I171-T174 VanDerWaalsContact O-OG1 3.13Å; I171-S175 WeakPolarHBondContact O-CB 3.06Å; I171-S175 PolarHBondContact O-N 2.85Å |
| 172 | G | 71.2 | Confident | 72.6 | Confident | 35 Ų | 35 | 92.9 Ų | 92.9 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -48.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G168 L169 S175 V176 | G168-G172 PolarHBondContact O-N 2.9Å; L169-G172 PolarHBondContact O-N 2.99Å; G172-S175 PolarHBondContact O-N 2.8Å; G172-V176 VanDerWaalsContact O-CG2 3.3Å; G172-V176 WeakPolarHBondContact O-CG2 3.42Å; G172-V176 PolarHBondContact O-N 2.94Å |
| 173 | V | 75.8 | Confident | 74.5 | Confident | 92 Ų | 92 | 91.7 Ų | 91.7 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | -179.1 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L169 V176 L177 | L169-V173 HydrophobicContact CD1-CG2 4.49Å; L169-V173 HydrophobicContact CG-CG2 4.47Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.23Å; L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 2.86Å; V173-V176 PolarHBondContact O-N 3.14Å; V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 PolarHBondContact O-N 2.92Å |
| 174 | T | 76.6 | Confident | 76.3 | Confident | 73 Ų | 73 | 93.3 Ų | 93.3 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | V170 I171 L177 V178 | V170-T174 HydrophobicContact CG1-CG2 4.29Å; V170-T174 VanDerWaalsContact O-CB 3.31Å; V170-T174 WeakPolarHBondContact O-CB 3.33Å; V170-T174 WeakPolarHBondContact O-CG2 3.21Å; V170-T174 PolarHBondContact O-N 2.9Å; V170-T174 PolarHBondContact O-OG1 2.83Å; I171-T174 WeakPolarHBondContact CA-OG1 3.25Å; I171-T174 PolarHBondContact O-OG1 3.38Å; I171-T174 VanDerWaalsContact O-OG1 3.13Å; T174-L177 PolarHBondContact O-N 2.74Å; T174-V178 VanDerWaalsContact O-CG2 3.28Å; T174-V178 WeakPolarHBondContact O-CG2 3.22Å; T174-V178 PolarHBondContact O-N 2.63Å |
| 175 | S | 81.1 | Confident | 78.1 | Confident | 82 Ų | 82 | 95 Ų | 95 | 57% | 0.573 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | I171 G172 V178 G179 | I171-S175 WeakPolarHBondContact O-CB 3.06Å; I171-S175 PolarHBondContact O-N 2.85Å; G172-S175 PolarHBondContact O-N 2.8Å; S175-V178 PolarHBondContact O-N 2.9Å; S175-G179 PolarHBondContact O-N 3.34Å |
| 176 | V | 87 | Confident | 79.7 | Confident | 98 Ų | 98 | 92.1 Ų | 92.1 | 59% | 0.594 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | G172 V173 V178 G179 V180 | G172-V176 VanDerWaalsContact O-CG2 3.3Å; G172-V176 WeakPolarHBondContact O-CG2 3.42Å; G172-V176 PolarHBondContact O-N 2.94Å; V173-V176 PolarHBondContact O-N 3.14Å; V176-V178 PolarHBondContact O-N 2.75Å; V176-G179 PolarHBondContact O-N 3.41Å; V176-V180 HydrophobicContact CG1-CG2 4.45Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 2.85Å |
| 177 | L | 89.1 | Confident | 81.2 | Confident | 129 Ų | 129 | 90.2 Ų | 90.2 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 179.8 | -168 | 72.7 | 0 | 0 | 0 | 111.9 | V173 T174 V180 L181 | V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 PolarHBondContact O-N 2.92Å; T174-L177 PolarHBondContact O-N 2.74Å; L177-V180 PolarHBondContact O-N 3.28Å; L177-L181 PolarHBondContact O-N 2.81Å |
| 178 | V | 90.4 | Very high | 82.8 | Confident | 83 Ų | 83 | 92.7 Ų | 92.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | T174 S175 V176 V180 L181 L182 | T174-V178 VanDerWaalsContact O-CG2 3.28Å; T174-V178 WeakPolarHBondContact O-CG2 3.22Å; T174-V178 PolarHBondContact O-N 2.63Å; S175-V178 PolarHBondContact O-N 2.9Å; V176-V178 PolarHBondContact O-N 2.75Å; V178-V180 PolarHBondContact O-N 2.99Å; V178-L181 PolarHBondContact O-N 2.88Å; V178-L182 HydrophobicContact CG1-CD1 4Å; V178-L182 WeakPolarHBondContact O-CG 3.21Å; V178-L182 PolarHBondContact O-N 3.11Å |
| 179 | G | 89.9 | Confident | 84 | Confident | 30 Ų | 30 | 93.7 Ų | 93.7 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | S175 V176 L182 L183 | S175-G179 PolarHBondContact O-N 3.34Å; V176-G179 PolarHBondContact O-N 3.41Å; G179-L182 PolarHBondContact O-N 3.48Å; G179-L183 PolarHBondContact O-N 3.15Å |
| 180 | V | 93.3 | Very high | 84.9 | Confident | 74 Ų | 74 | 92.1 Ų | 92.1 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | V176 L177 V178 L182 L183 L184 | V176-V180 HydrophobicContact CG1-CG2 4.45Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 2.85Å; L177-V180 PolarHBondContact O-N 3.28Å; V178-V180 PolarHBondContact O-N 2.99Å; V180-L182 VanDerWaalsContact C-N 3.33Å; V180-L182 PolarHBondContact O-N 3.41Å; V180-L183 PolarHBondContact O-N 2.88Å; V180-L184 HydrophobicContact CG1-CD1 4.03Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 WeakPolarHBondContact O-CG 3.37Å; V180-L184 PolarHBondContact O-N 2.99Å |
| 181 | L | 93.1 | Very high | 85.4 | Confident | 112 Ų | 112 | 91.5 Ų | 91.5 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 177.4 | -173.5 | 66.4 | 0 | 0 | 0 | 111.7 | L177 V178 L184 L185 | L177-L181 PolarHBondContact O-N 2.81Å; V178-L181 PolarHBondContact O-N 2.88Å; L181-L184 PolarHBondContact O-N 2.92Å; L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 PolarHBondContact O-N 2.94Å |
| 182 | L | 92.9 | Very high | 85.8 | Confident | 110 Ų | 110 | 89 Ų | 89 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 176.3 | -75.7 | 166.7 | 0 | 0 | 0 | 112.2 | V178 G179 V180 L185 L186 | V178-L182 HydrophobicContact CG1-CD1 4Å; V178-L182 WeakPolarHBondContact O-CG 3.21Å; V178-L182 PolarHBondContact O-N 3.11Å; G179-L182 PolarHBondContact O-N 3.48Å; V180-L182 VanDerWaalsContact C-N 3.33Å; V180-L182 PolarHBondContact O-N 3.41Å; L182-L185 PolarHBondContact O-N 2.82Å; L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 PolarHBondContact O-N 2.8Å |
| 183 | L | 92.8 | Very high | 85.8 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 174.7 | -82.4 | 160.9 | 0 | 0 | 0 | 112.1 | G179 V180 L185 L186 T187 | G179-L183 PolarHBondContact O-N 3.15Å; V180-L183 PolarHBondContact O-N 2.88Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L186 PolarHBondContact O-N 3.17Å; L183-T187 WeakPolarHBondContact O-CB 3.48Å; L183-T187 VanDerWaalsContact O-CG2 3.29Å; L183-T187 WeakPolarHBondContact O-CG2 3.38Å; L183-T187 PolarHBondContact O-N 3.24Å; L183-T187 PolarHBondContact O-OG1 3.32Å |
| 184 | L | 92.3 | Very high | 85.1 | Confident | 106 Ų | 106 | 94.8 Ų | 94.8 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -40 | 174.6 | -73.5 | 171 | 0 | 0 | 0 | 111.5 | V180 L181 T187 W188 | V180-L184 HydrophobicContact CG1-CD1 4.03Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 WeakPolarHBondContact O-CG 3.37Å; V180-L184 PolarHBondContact O-N 2.99Å; L181-L184 PolarHBondContact O-N 2.92Å; L184-T187 WeakPolarHBondContact CA-OG1 3.18Å; L184-T187 PolarHBondContact O-OG1 2.88Å; L184-W188 VanDerWaalsContact O-CB 3.26Å; L184-W188 WeakPolarHBondContact O-CB 3.4Å; L184-W188 PolarHBondContact O-N 2.96Å |
| 185 | L | 91.1 | Very high | 84 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.7 | -122 | 151.3 | 0 | 0 | 0 | 111.3 | L181 L182 L183 W188 V189 | L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 PolarHBondContact O-N 2.94Å; L182-L185 PolarHBondContact O-N 2.82Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L185-W188 PolarHBondContact O-N 2.81Å; L185-V189 HydrophobicContact CD2-CG2 4.38Å; L185-V189 WeakPolarHBondContact O-CB 3.41Å; L185-V189 VanDerWaalsContact O-CG2 3.25Å; L185-V189 WeakPolarHBondContact O-CG2 3.3Å; L185-V189 PolarHBondContact O-N 2.64Å |
| 186 | L | 89.9 | Confident | 82.9 | Confident | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -43.5 | 179.3 | -159.3 | 114.3 | 0 | 0 | 0 | 111.6 | L182 L183 W188 V189 L190 | L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 PolarHBondContact O-N 2.8Å; L183-L186 PolarHBondContact O-N 3.17Å; L186-W188 VanDerWaalsContact C-N 3.35Å; L186-V189 PolarHBondContact O-N 2.86Å; L186-L190 HydrophobicContact CD2-CD1 3.83Å; L186-L190 HydrophobicContact CG-CD1 4.45Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.22Å |
| 187 | T | 88.4 | Confident | 80.7 | Confident | 75 Ų | 75 | 103.8 Ų | 103.8 | 46% | 0.46 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.2 | -38.1 | 174.7 | 52 | 0 | 0 | 0 | 0 | 111.8 | L183 L184 L190 A191 | L183-T187 WeakPolarHBondContact O-CB 3.48Å; L183-T187 VanDerWaalsContact O-CG2 3.29Å; L183-T187 WeakPolarHBondContact O-CG2 3.38Å; L183-T187 PolarHBondContact O-N 3.24Å; L183-T187 PolarHBondContact O-OG1 3.32Å; L184-T187 WeakPolarHBondContact CA-OG1 3.18Å; L184-T187 PolarHBondContact O-OG1 2.88Å; T187-L190 PolarHBondContact O-N 2.99Å; T187-A191 VanDerWaalsContact O-CB 3.31Å; T187-A191 WeakPolarHBondContact O-CB 3.31Å; T187-A191 PolarHBondContact O-N 3.25Å |
| 188 | W | 89.4 | Confident | 78.7 | Confident | 178 Ų | 178 | 104.3 Ų | 104.3 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -43.5 | 173.9 | -175.9 | 77.3 | 0 | 0 | 0 | 112.2 | L184 L185 L186 A191 A192 | L184-W188 VanDerWaalsContact O-CB 3.26Å; L184-W188 WeakPolarHBondContact O-CB 3.4Å; L184-W188 PolarHBondContact O-N 2.96Å; L185-W188 PolarHBondContact O-N 2.81Å; L186-W188 VanDerWaalsContact C-N 3.35Å; W188-A191 PolarHBondContact O-N 3.38Å; W188-A192 VanDerWaalsContact O-CB 3.28Å; W188-A192 WeakPolarHBondContact O-CB 3.28Å; W188-A192 PolarHBondContact O-N 3.3Å |
| 189 | V | 84.7 | Confident | 76.5 | Confident | 65 Ų | 65 | 112.5 Ų | 112.5 | 39% | 0.394 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.2 | -44.8 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L185 L186 A191 A192 V193 | L185-V189 HydrophobicContact CD2-CG2 4.38Å; L185-V189 WeakPolarHBondContact O-CB 3.41Å; L185-V189 VanDerWaalsContact O-CG2 3.25Å; L185-V189 WeakPolarHBondContact O-CG2 3.3Å; L185-V189 PolarHBondContact O-N 2.64Å; L186-V189 PolarHBondContact O-N 2.86Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 2.8Å; V189-A192 PolarHBondContact O-N 3.38Å; V189-V193 HydrophobicContact CG1-CG2 3.87Å; V189-V193 WeakPolarHBondContact O-CB 3.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.35Å; V189-V193 PolarHBondContact O-N 3.07Å |
| 190 | L | 81 | Confident | 74 | Confident | 82 Ų | 82 | 114.2 Ų | 114.2 | 43% | 0.429 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.9 | -42.2 | 175.4 | -74 | 166.5 | 0 | 0 | 0 | 111.4 | L186 T187 A192 F194 | L186-L190 HydrophobicContact CD2-CD1 3.83Å; L186-L190 HydrophobicContact CG-CD1 4.45Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.22Å; T187-L190 PolarHBondContact O-N 2.99Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.08Å; L190-F194 HydrophobicContact CD2-CD2 3.9Å; L190-F194 HydrophobicContact CD2-CE2 3.6Å; L190-F194 VanDerWaalsContact O-CB 3.26Å; L190-F194 WeakPolarHBondContact O-CB 3.38Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 3.49Å |
| 191 | A | 77.8 | Confident | 71.3 | Confident | 72 Ų | 72 | 115.3 Ų | 115.3 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.3 | -32 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T187 W188 V189 | T187-A191 VanDerWaalsContact O-CB 3.31Å; T187-A191 WeakPolarHBondContact O-CB 3.31Å; T187-A191 PolarHBondContact O-N 3.25Å; W188-A191 PolarHBondContact O-N 3.38Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 2.8Å |
| 192 | A | 74.9 | Confident | 68.3 | Low | 61 Ų | 61 | 116.2 Ų | 116.2 | 50% | 0.504 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -81 | -34.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | W188 V189 L190 | W188-A192 VanDerWaalsContact O-CB 3.28Å; W188-A192 WeakPolarHBondContact O-CB 3.28Å; W188-A192 PolarHBondContact O-N 3.3Å; V189-A192 PolarHBondContact O-N 3.38Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.08Å |
| 193 | V | 69.8 | Low | 65.7 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.8 | -26.9 | -178.8 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | V189 P195 | V189-V193 HydrophobicContact CG1-CG2 3.87Å; V189-V193 WeakPolarHBondContact O-CB 3.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.35Å; V189-V193 PolarHBondContact O-N 3.07Å; V193-P195 WeakPolarHBondContact O-CD 3.49Å |
| 194 | F | 62.4 | Low | 62.7 | Low | 147 Ų | 147 | 118 Ų | 118 | 65% | 0.645 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -105.4 | 74.8 | 169 | -65.4 | -82.7 | 0 | 0 | 0 | 111.2 | L190 R196 | L190-F194 HydrophobicContact CD2-CD2 3.9Å; L190-F194 HydrophobicContact CD2-CE2 3.6Å; L190-F194 VanDerWaalsContact O-CB 3.26Å; L190-F194 WeakPolarHBondContact O-CB 3.38Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 3.49Å; F194-R196 PolarHBondContact O-N 2.68Å |
| 195 | P | 53.3 | Low | 59.9 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | trans | -70.1 | 107.9 | 166.4 | 29.2 | -29.8 | 0 | 0 | 0 | 108.7 | V193 | V193-P195 WeakPolarHBondContact O-CD 3.49Š| ||
| 196 | R | 56.4 | Low | 57 | Low | 245 Ų | 245 | 118 Ų | 118 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | trans | 40.5 | 104.7 | 155.8 | -80.7 | -176.1 | 168 | 93.7 | -0.5 | 117.5 | F194 | F194-R196 PolarHBondContact O-N 2.68Š| ||
| 197 | A | 42.7 | Very low | 54.6 | Low | 93 Ų | 93 | 121 Ų | 121 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -135.8 | 117.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 198 | T | 46.1 | Very low | 51.8 | Low | 140 Ų | 140 | 124.7 Ų | 124.7 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | cis | -164.4 | 148.3 | 24.7 | 19 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 199 | R | 45 | Very low | 49.3 | Very low | 255 Ų | 255 | 124.3 Ų | 124.3 | 96% | 0.962 | 74% | 0.736 | S | S | * | * | trans | -95.1 | 133.4 | 160.6 | -164.4 | -176.6 | -166.3 | -178.8 | 3.4 | 106.6 | ||||
| 200 | G | 37 | Very low | 47.4 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | 155.3 | 97.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 201 | A | 36 | Very low | 45.3 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | 77.1 | 124.5 | 101.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 202 | C | 31.1 | Very low | 43.1 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | cis | -157.2 | 160.3 | 47.8 | -85.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 203 | V | 37.3 | Very low | 41 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -61.9 | 137.4 | 165.9 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 204 | C | 30.5 | Very low | 39.1 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | 176.5 | 136 | 126.3 | -95.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 205 | G | 32.9 | Very low | 38.4 | Very low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -83 | 169.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 206 | S | 30.4 | Very low | 37.3 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -171.7 | 142.5 | 142.6 | -169 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 207 | E | 39.7 | Very low | 36.3 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -63.6 | 170.6 | 175.7 | -69 | 163.1 | 104.2 | 0 | 0 | 113.1 | ||||
| 208 | D | 29.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 118.7 | 108.5 | 150.4 | -59.7 | -33.6 | 0 | 0 | 0 | 118.2 | ||||
| 209 | E | 36.9 | Very low | 36 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -59.3 | 162.9 | 138.3 | -126.4 | -162.8 | 75.1 | 0 | 0 | 109.1 | ||||
| 210 | P | 44.3 | Very low | 35.8 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | cis | -149.2 | -175.8 | 28.4 | 36.6 | -11.2 | 0 | 0 | 0 | 117 | ||||
| 211 | L | 37.9 | Very low | 35.8 | Very low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | 20.4 | 128.5 | 155.3 | -93.5 | 88.1 | 0 | 0 | 0 | 120.8 | ||||
| 212 | K | 31.6 | Very low | 36.1 | Very low | 214 Ų | 214 | 133.2 Ų | 133.2 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | -164.4 | 153.2 | 120.2 | -125.9 | 174.4 | 177.4 | 175.7 | 0 | 115 | |||||
| 213 | E | 30.3 | Very low | 37.1 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -104.1 | 146.7 | -163.1 | 176.7 | 171.4 | -173.5 | 0 | 0 | 112.7 | ||||
| 214 | G | 29.1 | Very low | 37.5 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 82.7 | 174.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 215 | P | 47.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -129.7 | 159.7 | -73.3 | 37.2 | -25.7 | 0 | 0 | 0 | 111.3 | |||||
| 216 | D | 31.3 | Very low | 39.3 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | 177.8 | 146.6 | 129.8 | -117.2 | -31 | 0 | 0 | 0 | 115.8 | |||||
| 217 | A | 34.5 | Very low | 40.2 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 63.7 | 105.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 218 | A | 38.9 | Very low | 40.7 | Very low | 79 Ų | 79 | 139 Ų | 139 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | -68.8 | 171.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V220 | A218-V220 HydrophobicContact CB-CG2 4.06Š| ||
| 219 | P | 44.4 | Very low | 41.6 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | -133.5 | 118.2 | 89.5 | 33.6 | -20.3 | 0 | 0 | 0 | 111.4 | |||||
| 220 | V | 39.8 | Very low | 42 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | 45.1 | 95.8 | 95.8 | -171.1 | 0 | 0 | 0 | 0 | 113.6 | A218 T222 | A218-V220 HydrophobicContact CB-CG2 4.06Å; V220-T222 VanDerWaalsContact CG1-OG1 3.3Å; V220-T222 WeakPolarHBondContact CG1-OG1 3.37Å | |||
| 221 | F | 36.8 | Very low | 42.1 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | trans | -121 | 95.1 | 144.8 | -81.8 | -84 | 0 | 0 | 0 | 107.2 | L223 | F221-L223 PolarHBondContact O-N 3.19Š| ||
| 222 | T | 44 | Very low | 42.2 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -74.4 | 107 | 172.4 | -36.8 | 0 | 0 | 0 | 0 | 107.6 | V220 | V220-T222 VanDerWaalsContact CG1-OG1 3.3Å; V220-T222 WeakPolarHBondContact CG1-OG1 3.37Å | ||
| 223 | L | 50.8 | Low | 42.9 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | trans | -85.9 | 108.3 | 160.3 | -90.2 | 156.9 | 0 | 0 | 0 | 107.1 | F221 Y225 | F221-L223 PolarHBondContact O-N 3.19Å; L223-Y225 HydrophobicContact CB-CD2 4.43Å; L223-Y225 HydrophobicContact CB-CE2 3.99Å; L223-Y225 PolarHBondContact O-N 3.2Å | ||
| 224 | D | 47.1 | Very low | 43.8 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 101.5 | 174.6 | -173.8 | 25 | 0 | 0 | 0 | 108.9 | ||||
| 225 | Y | 48 | Very low | 44.4 | Very low | 197 Ų | 197 | 148 Ų | 148 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -89.7 | 104.7 | 168.3 | -74.3 | -84.2 | 0 | 0 | 0 | 107.6 | L223 E227 | L223-Y225 HydrophobicContact CB-CD2 4.43Å; L223-Y225 HydrophobicContact CB-CE2 3.99Å; L223-Y225 PolarHBondContact O-N 3.2Å; Y225-E227 PolarHBondContact O-N 3.34Å | ||
| 226 | G | 52.1 | Low | 44.2 | Very low | 70 Ų | 70 | 147.8 Ų | 147.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -59.5 | 109.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 227 | E | 48.8 | Very low | 45.1 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -76.3 | 114.4 | 170.5 | -170.9 | 166.3 | -171.4 | 0 | 0 | 108.9 | Y225 D229 | Y225-E227 PolarHBondContact O-N 3.34Å; E227-D229 PolarHBondContact O-N 3.02Å | ||
| 228 | L | 51.8 | Low | 45.7 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | -84.4 | 98.5 | 169.1 | -78.5 | 162.2 | 0 | 0 | 0 | 108.3 | F230 | L228-F230 HydrophobicContact CB-CD2 4.11Å; L228-F230 HydrophobicContact CB-CE2 3.53Å; L228-F230 HydrophobicContact CB-CZ 3.93Å; L228-F230 HydrophobicContact CD1-CE2 4.23Å; L228-F230 HydrophobicContact CD1-CZ 4Å; L228-F230 HydrophobicContact CG-CE2 4.43Å; L228-F230 HydrophobicContact CG-CZ 4.4Å; L228-F230 WeakPolarHBondContact O-CD2 3.25Å; L228-F230 PolarHBondContact O-N 3.02Å; L228-F230 VanDerWaalsContact O-N 3.13Å | ||
| 229 | D | 46.8 | Very low | 46.4 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | trans | -70.4 | 98.8 | 166.2 | -177.6 | 24.2 | 0 | 0 | 0 | 108.9 | E227 Q231 | E227-D229 PolarHBondContact O-N 3.02Å; D229-Q231 VanDerWaalsContact C-N 3.27Å; D229-Q231 PolarHBondContact O-N 3.41Å; D229-Q231 VanDerWaalsContact O-N 3.15Å; D229-Q231 WeakPolarHBondContact OD2-CG 3.36Å; D229-Q231 PolarHBondContact OD2-NE2 3.47Å | ||
| 230 | F | 45.9 | Very low | 46.6 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -83.9 | 78.5 | 167.8 | -64.8 | -80.4 | 0 | 0 | 0 | 108.7 | L228 W232 | L228-F230 HydrophobicContact CB-CD2 4.11Å; L228-F230 HydrophobicContact CB-CE2 3.53Å; L228-F230 HydrophobicContact CB-CZ 3.93Å; L228-F230 HydrophobicContact CD1-CE2 4.23Å; L228-F230 HydrophobicContact CD1-CZ 4Å; L228-F230 HydrophobicContact CG-CE2 4.43Å; L228-F230 HydrophobicContact CG-CZ 4.4Å; L228-F230 WeakPolarHBondContact O-CD2 3.25Å; L228-F230 PolarHBondContact O-N 3.02Å; L228-F230 VanDerWaalsContact O-N 3.13Å; F230-W232 PolarHBondContact O-N 3.35Å | ||
| 231 | Q | 46.7 | Very low | 47.2 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | trans | -64.5 | 92 | 161.7 | -90.9 | -176.9 | 63.7 | 0 | 0 | 109 | D229 R233 | D229-Q231 VanDerWaalsContact C-N 3.27Å; D229-Q231 PolarHBondContact O-N 3.41Å; D229-Q231 VanDerWaalsContact O-N 3.15Å; D229-Q231 WeakPolarHBondContact OD2-CG 3.36Å; D229-Q231 PolarHBondContact OD2-NE2 3.47Å; Q231-R233 PolarHBondContact O-N 3.25Å | ||
| 232 | W | 39.4 | Very low | 47.6 | Very low | 227 Ų | 227 | 147.2 Ų | 147.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -65 | 81.2 | 162.4 | -175.1 | -95 | 0 | 0 | 0 | 108.2 | F230 E234 | F230-W232 PolarHBondContact O-N 3.35Å; W232-E234 PolarHBondContact O-N 3.23Å; W232-E234 VanDerWaalsContact O-N 3.11Å | ||
| 233 | R | 47.3 | Very low | 47.7 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -76.3 | 97.9 | 165.3 | -156 | -159.8 | -75.4 | -108.1 | 6.6 | 106.3 | Q231 K235 | Q231-R233 PolarHBondContact O-N 3.25Å; R233-K235 PolarHBondContact O-N 3.5Å | ||
| 234 | E | 49.6 | Very low | 47.7 | Very low | 160 Ų | 160 | 145 Ų | 145 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -52.3 | 99.5 | 169.5 | -162.8 | 172 | -164.9 | 0 | 0 | 108.5 | W232 T236 | W232-E234 PolarHBondContact O-N 3.23Å; W232-E234 VanDerWaalsContact O-N 3.11Å; E234-T236 PolarHBondContact O-N 3.02Å | ||
| 235 | K | 39.8 | Very low | 47.9 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -85.9 | 97.5 | -179.3 | -160 | 165.2 | -174.5 | 177.4 | 0 | 107.4 | R233 | R233-K235 PolarHBondContact O-N 3.5Š| ||
| 236 | T | 45.5 | Very low | 48 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -44.3 | 134.3 | 168.3 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | E234 E238 | E234-T236 PolarHBondContact O-N 3.02Å; T236-E238 PolarHBondContact O-N 3.3Å | ||
| 237 | P | 48.6 | Very low | 48.1 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 123.6 | 174.6 | -16.6 | 29.3 | 0 | 0 | 0 | 109.8 | ||
| 238 | E | 48.3 | Very low | 48.4 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71 | 133.6 | 173.2 | -155.1 | 168.3 | -166.5 | 0 | 0 | 108.9 | T236 | T236-E238 PolarHBondContact O-N 3.3Š|
| 239 | P | 53.7 | Low | 48.9 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 145.2 | -178.5 | -4.8 | 16.5 | 0 | 0 | 0 | 110.9 | A241 | P239-A241 PolarHBondContact O-N 3.43Š|
| 240 | P | 48.7 | Very low | 49.5 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 131.6 | 174.9 | 25.6 | -31.4 | 0 | 0 | 0 | 110.3 | ||
| 241 | A | 51.3 | Low | 50.6 | Low | 85 Ų | 85 | 147.1 Ų | 147.1 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 143.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P239 C243 | P239-A241 PolarHBondContact O-N 3.43Å; A241-C243 PolarHBondContact O-N 2.95Å |
| 242 | P | 45.9 | Very low | 51.4 | Low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.4 | 175.9 | -18.8 | 30.2 | 0 | 0 | 0 | 110.8 | A244 | P242-A244 PolarHBondContact O-N 3.37Å; P242-A244 VanDerWaalsContact O-N 3.16Å |
| 243 | C | 45.1 | Very low | 52.5 | Low | 127 Ų | 127 | 141.7 Ų | 141.7 | 86% | 0.858 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56 | 117.4 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 110 | A241 | A241-C243 PolarHBondContact O-N 2.95Š|
| 244 | A | 52.2 | Low | 53.4 | Low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | P242 E246 | P242-A244 PolarHBondContact O-N 3.37Å; P242-A244 VanDerWaalsContact O-N 3.16Å; A244-E246 PolarHBondContact O-N 3.45Å; A244-E246 VanDerWaalsContact O-N 3.09Å |
| 245 | P | 51.3 | Low | 53.8 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -69.3 | 110.4 | 176.7 | 27.4 | -30.8 | 0 | 0 | 0 | 108.7 | Q247 | P245-Q247 PolarHBondContact O-N 2.98Å; P245-Q247 VanDerWaalsContact O-N 3.16Å | ||
| 246 | E | 49.6 | Very low | 54.3 | Low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -59.5 | 116.6 | 162.7 | -109.5 | 176.9 | 155 | 0 | 0 | 107.5 | A244 T248 | A244-E246 PolarHBondContact O-N 3.45Å; A244-E246 VanDerWaalsContact O-N 3.09Å; E246-T248 PolarHBondContact O-N 3.01Å | ||
| 247 | Q | 53.4 | Low | 54.4 | Low | 191 Ų | 191 | 132.3 Ų | 132.3 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -60 | 106.5 | 173.2 | -77.1 | 179.4 | -5 | 0 | 0 | 108.4 | P245 E249 | P245-Q247 PolarHBondContact O-N 2.98Å; P245-Q247 VanDerWaalsContact O-N 3.16Å; Q247-E249 PolarHBondContact O-N 3.07Å | ||
| 248 | T | 55.9 | Low | 54.5 | Low | 98 Ų | 98 | 137.8 Ų | 137.8 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | trans | -67.8 | 100.6 | 166.1 | 49.4 | 0 | 0 | 0 | 0 | 108 | E246 Y250 | E246-T248 PolarHBondContact O-N 3.01Å; T248-Y250 VanDerWaalsContact O-CD2 3.3Å; T248-Y250 WeakPolarHBondContact O-CD2 3.33Å; T248-Y250 WeakPolarHBondContact O-CE2 3.43Å; T248-Y250 PolarHBondContact O-N 3.29Å; T248-Y250 WeakPolarHBondContact OG1-CE2 3.42Å; T248-Y250 PolarHBondContact OG1-OH 2.78Å | ||
| 249 | E | 62.9 | Low | 54.4 | Low | 190 Ų | 190 | 134.9 Ų | 134.9 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -74.8 | 112.6 | 168.8 | -171.8 | 176.4 | 177.4 | 0 | 0 | 108.5 | Q247 | Q247-E249 PolarHBondContact O-N 3.07Š| ||
| 250 | Y | 59 | Low | 53.9 | Low | 194 Ų | 194 | 134.4 Ų | 134.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -85 | 116.4 | 176.3 | -62.7 | -90.7 | 0 | 0 | 0 | 109.2 | T248 | T248-Y250 VanDerWaalsContact O-CD2 3.3Å; T248-Y250 WeakPolarHBondContact O-CD2 3.33Å; T248-Y250 WeakPolarHBondContact O-CE2 3.43Å; T248-Y250 PolarHBondContact O-N 3.29Å; T248-Y250 WeakPolarHBondContact OG1-CE2 3.42Å; T248-Y250 PolarHBondContact OG1-OH 2.78Å | ||
| 251 | A | 68.4 | Low | 53.7 | Low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -85.1 | 115.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | I253 | A251-I253 PolarHBondContact O-N 3.05Š| ||
| 252 | T | 63.5 | Low | 53.4 | Low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -78.3 | 112.2 | 172 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | V254 | T252-V254 HydrophobicContact CG2-CG2 4.23Å; T252-V254 PolarHBondContact O-N 3Å | ||
| 253 | I | 63.3 | Low | 53 | Low | 132 Ų | 132 | 133.6 Ų | 133.6 | 68% | 0.677 | 79% | 0.787 | S | S | * | * | trans | -80.1 | 106.8 | 174.3 | -56.3 | 173.7 | 0 | 0 | 0 | 108.4 | A251 F255 | A251-I253 PolarHBondContact O-N 3.05Å; I253-F255 HydrophobicContact CG2-CE1 4.21Å; I253-F255 HydrophobicContact CG2-CE2 4.18Å; I253-F255 HydrophobicContact CG2-CZ 3.98Å | ||
| 254 | V | 66.2 | Low | 52.6 | Low | 120 Ų | 120 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 113.4 | 170.9 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | T252 | T252-V254 HydrophobicContact CG2-CG2 4.23Å; T252-V254 PolarHBondContact O-N 3Å | ||
| 255 | F | 56.3 | Low | 52 | Low | 174 Ų | 174 | 146 Ų | 146 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.6 | 171.2 | -63.9 | -81.3 | 0 | 0 | 0 | 109.3 | I253 G257 | I253-F255 HydrophobicContact CG2-CE1 4.21Å; I253-F255 HydrophobicContact CG2-CE2 4.18Å; I253-F255 HydrophobicContact CG2-CZ 3.98Å; F255-G257 PolarHBondContact O-N 3.03Å |
| 256 | P | 51.7 | Low | 51.1 | Low | 122 Ų | 122 | 145.2 Ų | 145.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.7 | 170 | 25.2 | -30.2 | 0 | 0 | 0 | 108.3 | R258 | P256-R258 PolarHBondContact O-N 3.29Š|
| 257 | G | 46.8 | Very low | 50.7 | Low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 123.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F255 | F255-G257 PolarHBondContact O-N 3.03Š|
| 258 | R | 51.2 | Low | 49.8 | Very low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 135.7 | 170.7 | 178 | 179.1 | -102.1 | -126.4 | -1 | 108.3 | P256 A260 | P256-R258 PolarHBondContact O-N 3.29Å; R258-A260 PolarHBondContact O-N 3.19Å |
| 259 | P | 46.3 | Very low | 49 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 116 | 175 | 20.7 | -30.4 | 0 | 0 | 0 | 109.5 | S261 | P259-S261 PolarHBondContact O-N 3.28Š|
| 260 | A | 43.3 | Very low | 47.6 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 121.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R258 | R258-A260 PolarHBondContact O-N 3.19Š|
| 261 | S | 44.1 | Very low | 46.7 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142 | 161.8 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | P259 | P259-S261 PolarHBondContact O-N 3.28Š|
| 262 | P | 44.2 | Very low | 45.1 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -78 | 130.8 | -165.1 | 29.7 | -32.5 | 0 | 0 | 0 | 111.6 | ||
| 263 | G | 37.8 | Very low | 43.7 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 131.3 | 93.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 264 | R | 37.4 | Very low | 42.3 | Very low | 245 Ų | 245 | 135 Ų | 135 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | -175.6 | 115.1 | 112.5 | -171.1 | 170.3 | -81.4 | -145.6 | -2.1 | 108.8 | |||||
| 265 | R | 38.8 | Very low | 40.6 | Very low | 231 Ų | 231 | 138.1 Ų | 138.1 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -62.1 | 126.1 | 175.4 | 178 | -176.6 | -68.4 | -134.7 | -2.1 | 110.4 | ||||
| 266 | A | 33.4 | Very low | 39.9 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -147.3 | 116.6 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 267 | S | 39.8 | Very low | 40.2 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -77.7 | 143.1 | -173.1 | -49.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 268 | A | 35.1 | Very low | 39.4 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -160.8 | 104.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 269 | S | 39.1 | Very low | 39.3 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -71.1 | 136.4 | 165.2 | 41.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 270 | S | 33.3 | Very low | 38.9 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | 165.3 | 124.1 | 113.6 | -80.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 271 | L | 41.1 | Very low | 38.6 | Very low | 169 Ų | 169 | 136 Ų | 136 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -81.8 | 136.5 | 163.4 | -95.1 | 116 | 0 | 0 | 0 | 109.7 | ||||
| 272 | Q | 34.9 | Very low | 38.1 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -161.4 | 127.7 | 135.4 | -139.8 | 124.9 | 50.9 | 0 | 0 | 110 | ||||
| 273 | G | 33.6 | Very low | 38.1 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | -92.6 | 172.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 274 | A | 33.7 | Very low | 37.8 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | 143.1 | 122.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 275 | Q | 31.1 | Very low | 37.7 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -62.8 | -178.8 | 174.8 | -169.6 | 162.6 | -50.4 | 0 | 0 | 113 | ||||
| 276 | P | 41.4 | Very low | 37.6 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | cis | -128.8 | -170.4 | -1 | 6 | 23.9 | 0 | 0 | 0 | 115.8 | ||||
| 277 | P | 57.3 | Low | 38.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -100.4 | 167.5 | -163.7 | 40.6 | -33.8 | 0 | 0 | 0 | 115.5 | ||||
| 278 | S | 31.1 | Very low | 38.9 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -175.2 | 169.2 | 151.1 | -124.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 279 | P | 49.4 | Very low | 39.1 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | -125.5 | -168.6 | -124 | 26.8 | 0.5 | 0 | 0 | 0 | 112.9 | |||||
| 280 | E | 37.3 | Very low | 39.1 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | trans | 77.9 | 134.7 | 165.4 | -52.6 | -169.2 | 127 | 0 | 0 | 114 | ||||
| 281 | D | 37.2 | Very low | 39.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 84% | 0.839 | S | S | * | * | cis | -154.4 | 156.2 | 21.1 | -90.4 | -48.7 | 0 | 0 | 0 | 109.8 | ||||
| 282 | G | 33.6 | Very low | 39.3 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | trans | -73.8 | -143.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 283 | P | 44.7 | Very low | 39.6 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | cis | -132.1 | 175.3 | -27.4 | 39 | -22.9 | 0 | 0 | 0 | 113.4 | ||||
| 284 | G | 30.6 | Very low | 40 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | 87.6 | 154 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 285 | L | 34.7 | Very low | 40.4 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | cis | -164.9 | 146.5 | 5.7 | -101 | 135.7 | 0 | 0 | 0 | 105.2 | ||||
| 286 | W | 37.6 | Very low | 41.1 | Very low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -54.9 | 159.1 | 166.1 | -57.1 | 95.8 | 0 | 0 | 0 | 111.2 | ||||
| 287 | P | 59.5 | Low | 41.1 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | -151.9 | 161 | 81.9 | 35.7 | -14.7 | 0 | 0 | 0 | 118.1 | |||||
| 288 | L | 40.3 | Very low | 39.6 | Very low | 245 Ų | 245 | 143.8 Ų | 143.8 | 100% | 1.283 | 84% | 0.837 | S | S | * | * | trans | 72.8 | 0 | 157.7 | -65.8 | 165.6 | 0 | 0 | 0 | 119.7 |
Retrieved 288 of 288 residues in 491.8 ms
(Link to these results)