| 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 | 60.4 | Low | 64.2 | Low | 244 Ų | 244 | 123.6 Ų | 123.6 | 100% | 1.202 | 71% | 0.712 | S | S | * | * | 0 | 66.8 | 0 | -61.5 | -169 | -162.6 | 0 | 0 | 110.1 | |||||
| 2 | L | 65.1 | Low | 64.5 | Low | 180 Ų | 180 | 118.8 Ų | 118.8 | 94% | 0.942 | 68% | 0.677 | S | S | * | * | trans | -93.1 | 106.6 | 172.4 | -85.2 | 90.6 | 0 | 0 | 0 | 108.3 | H4 | L2-H4 PolarHBondContact O-N 3.39Š| ||
| 3 | S | 70.4 | Confident | 65.3 | Low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -59.9 | 120.9 | 173.5 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | V5 | S3-V5 PolarHBondContact O-N 3.05Š| ||
| 4 | H | 71.3 | Confident | 66.1 | Low | 157 Ų | 157 | 118 Ų | 118 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | trans | -61.1 | 115.6 | 170.3 | -176.2 | -105.7 | 0 | 0 | 0 | 109.9 | L2 E6 | L2-H4 PolarHBondContact O-N 3.39Å; H4-E6 IonicContact CE1-OE2 3.44Å | ||
| 5 | V | 67.8 | Low | 66.7 | Low | 73 Ų | 73 | 123.5 Ų | 123.5 | 44% | 0.442 | 67% | 0.67 | S | S | . | * | trans | -91.8 | 102.5 | 167.9 | 174.5 | 0 | 0 | 0 | 0 | 107 | S3 M7 | S3-V5 PolarHBondContact O-N 3.05Å; V5-M7 PolarHBondContact O-N 3.45Å | ||
| 6 | E | 67.6 | Low | 67.3 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | -72.5 | 116.7 | 172.8 | -173.1 | 163.3 | 112.7 | 0 | 0 | 109.5 | H4 A8 | H4-E6 IonicContact CE1-OE2 3.44Å; E6-A8 PolarHBondContact O-N 3.34Å | ||
| 7 | M | 53.9 | Low | 67.7 | Low | 165 Ų | 165 | 122.9 Ų | 122.9 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -79.4 | 97.4 | 172.8 | -80 | 99.2 | 170.5 | 0 | 0 | 109.9 | V5 | V5-M7 PolarHBondContact O-N 3.45Š| ||
| 8 | A | 55.6 | Low | 68.3 | Low | 63 Ų | 63 | 120.7 Ų | 120.7 | 52% | 0.521 | 67% | 0.67 | S | S | . | * | trans | -82.6 | 143.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E6 G10 | E6-A8 PolarHBondContact O-N 3.34Å; A8-G10 PolarHBondContact O-N 3Å | ||
| 9 | P | 59.4 | Low | 68.4 | Low | 140 Ų | 140 | 118.2 Ų | 118.2 | 91% | 0.909 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 99.9 | 175 | 27.9 | -32.3 | 0 | 0 | 0 | 109 | ||
| 10 | G | 64 | Low | 68.8 | Low | 57 Ų | 57 | 116.9 Ų | 116.9 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.4 | -2.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | A8 | A8-G10 PolarHBondContact O-N 3Š|
| 11 | G | 70.3 | Confident | 68.8 | Low | 23 Ų | 23 | 118.1 Ų | 118.1 | 24% | 0.237 | 65% | 0.651 | C | S | . | * | trans | 138.9 | 162.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I19 | G11-I19 CarbonylContact C-O 3.57Å; G11-I19 WeakPolarHBondContact CA-O 3.29Å | ||
| 12 | F | 68.8 | Low | 68.7 | Low | 66 Ų | 66 | 112.6 Ų | 112.6 | 29% | 0.289 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.2 | 178.5 | 58.6 | -77.6 | 0 | 0 | 0 | 110.1 | L14 I19 Q21 | F12-L14 HydrophobicContact CD2-CD1 3.85Å; F12-L14 HydrophobicContact CD2-CG 3.94Å; F12-L14 HydrophobicContact CE2-CD1 3.47Å; F12-L14 VanDerWaalsContact CE2-CD1 3.47Å; F12-L14 HydrophobicContact CE2-CG 4.08Å; F12-I19 HydrophobicContact CE1-CB 4.24Å; F12-I19 HydrophobicContact CE1-CG2 4.06Å; F12-I19 HydrophobicContact CE2-CB 4.34Å; F12-I19 HydrophobicContact CE2-CD1 3.95Å; F12-I19 HydrophobicContact CZ-CB 4.13Å; F12-I19 HydrophobicContact CZ-CD1 4.22Å; F12-I19 HydrophobicContact CZ-CG2 3.95Å; F12-I19 PolarHBondContact N-O 3.32Å; F12-I19 PolarHBondContact O-N 3.41Å; F12-Q21 HydrophobicContact CD1-CG 4.17Å; F12-Q21 HydrophobicContact CE1-CG 3.83Å |
| 13 | K | 75 | Confident | 68.3 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.2 | 176.8 | -80.9 | 177.3 | 172.3 | 172.2 | 0 | 109.9 | K17 V18 | K13-K17 WeakPolarHBondContact CA-O 3.33Å; K13-V18 HydrophobicContact CD-CG2 4.13Å; K13-V18 VanDerWaalsContact CE-CG2 3.41Å; K13-V18 HydrophobicContact CG-CB 4.42Å; K13-V18 HydrophobicContact CG-CG2 3.59Å |
| 14 | L | 75.7 | Confident | 67.5 | Low | 78 Ų | 78 | 112.3 Ų | 112.3 | 41% | 0.408 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.3 | 166.4 | -78.7 | 172.8 | 0 | 0 | 0 | 108.5 | F12 G16 K17 I19 | F12-L14 HydrophobicContact CD2-CD1 3.85Å; F12-L14 HydrophobicContact CD2-CG 3.94Å; F12-L14 HydrophobicContact CE2-CD1 3.47Å; F12-L14 VanDerWaalsContact CE2-CD1 3.47Å; F12-L14 HydrophobicContact CE2-CG 4.08Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 3.29Å; L14-K17 PolarHBondContact N-O 2.94Å; L14-K17 PolarHBondContact O-N 3.2Å; L14-K17 VanDerWaalsContact O-N 3.08Å; L14-K17 VanDerWaalsContact O-O 3.13Å; L14-I19 HydrophobicContact CB-CD1 4.11Å; L14-I19 HydrophobicContact CD1-CD1 4.04Å |
| 15 | F | 75.4 | Confident | 66.7 | Low | 200 Ų | 200 | 110 Ų | 110 | 88% | 0.877 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.6 | 42.2 | 176.8 | -51.9 | -77.5 | 0 | 0 | 0 | 114.5 | K17 | F15-K17 PolarHBondContact O-N 3.27Å; F15-K17 VanDerWaalsContact O-N 3.16Å |
| 16 | G | 76.3 | Confident | 66.3 | Low | 79 Ų | 79 | 110.4 Ų | 110.4 | 81% | 0.814 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.2 | 4.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | L14 | L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 3.29Å |
| 17 | K | 74.7 | Confident | 66.3 | Low | 158 Ų | 158 | 108.9 Ų | 108.9 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.5 | 174.8 | -72.6 | 166.7 | 177.3 | 162.8 | 0 | 109.8 | K13 L14 F15 I19 | K13-K17 WeakPolarHBondContact CA-O 3.33Å; L14-K17 PolarHBondContact N-O 2.94Å; L14-K17 PolarHBondContact O-N 3.2Å; L14-K17 VanDerWaalsContact O-N 3.08Å; L14-K17 VanDerWaalsContact O-O 3.13Å; F15-K17 PolarHBondContact O-N 3.27Å; F15-K17 VanDerWaalsContact O-N 3.16Å; K17-I19 PolarHBondContact O-N 3.26Å |
| 18 | V | 77.9 | Confident | 66.7 | Low | 84 Ų | 84 | 107 Ų | 107 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 115.3 | 172 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | K13 T20 | K13-V18 HydrophobicContact CD-CG2 4.13Å; K13-V18 VanDerWaalsContact CE-CG2 3.41Å; K13-V18 HydrophobicContact CG-CB 4.42Å; K13-V18 HydrophobicContact CG-CG2 3.59Å; V18-T20 PolarHBondContact O-N 2.93Å |
| 19 | I | 70.9 | Confident | 67.1 | Low | 73 Ų | 73 | 108.2 Ų | 108.2 | 37% | 0.374 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 94.9 | 169.8 | -54.7 | 177.5 | 0 | 0 | 0 | 106.1 | G11 F12 L14 K17 Q21 | G11-I19 CarbonylContact C-O 3.57Å; G11-I19 WeakPolarHBondContact CA-O 3.29Å; F12-I19 HydrophobicContact CE1-CB 4.24Å; F12-I19 HydrophobicContact CE1-CG2 4.06Å; F12-I19 HydrophobicContact CE2-CB 4.34Å; F12-I19 HydrophobicContact CE2-CD1 3.95Å; F12-I19 HydrophobicContact CZ-CB 4.13Å; F12-I19 HydrophobicContact CZ-CD1 4.22Å; F12-I19 HydrophobicContact CZ-CG2 3.95Å; F12-I19 PolarHBondContact N-O 3.32Å; F12-I19 PolarHBondContact O-N 3.41Å; L14-I19 HydrophobicContact CB-CD1 4.11Å; L14-I19 HydrophobicContact CD1-CD1 4.04Å; K17-I19 PolarHBondContact O-N 3.26Å; I19-Q21 PolarHBondContact O-N 3.06Å |
| 20 | T | 76.4 | Confident | 67.5 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | trans | -65.7 | 117.9 | 169 | -48 | 0 | 0 | 0 | 0 | 107.1 | V18 C22 | V18-T20 PolarHBondContact O-N 2.93Å; T20-C22 PolarHBondContact O-N 2.76Å; T20-C22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | Q | 67.6 | Low | 67.1 | Low | 143 Ų | 143 | 110.4 Ų | 110.4 | 67% | 0.668 | 66% | 0.662 | S | S | * | * | trans | -63.8 | 115.6 | 169.9 | -76.9 | -176.4 | -9.8 | 0 | 0 | 107.1 | F12 I19 A23 | F12-Q21 HydrophobicContact CD1-CG 4.17Å; F12-Q21 HydrophobicContact CE1-CG 3.83Å; I19-Q21 PolarHBondContact O-N 3.06Å; Q21-A23 PolarHBondContact O-N 2.83Å | ||
| 22 | C | 59.6 | Low | 66.3 | Low | 127 Ų | 127 | 117.8 Ų | 117.8 | 86% | 0.858 | 69% | 0.69 | S | S | * | * | trans | -59.4 | 107.1 | 167.9 | -61.6 | 0 | 0 | 0 | 0 | 106.8 | T20 E24 | T20-C22 PolarHBondContact O-N 2.76Å; T20-C22 VanDerWaalsContact O-N 3.09Å; C22-E24 PolarHBondContact O-N 3.19Å | ||
| 23 | A | 55.9 | Low | 65.5 | Low | 91 Ų | 91 | 119.2 Ų | 119.2 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | -54.3 | 123.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107 | Q21 S25 | Q21-A23 PolarHBondContact O-N 2.83Å; A23-S25 VanDerWaalsContact C-N 3.28Å; A23-S25 PolarHBondContact O-N 2.83Å | ||
| 24 | E | 54.1 | Low | 64.2 | Low | 191 Ų | 191 | 116.7 Ų | 116.7 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | trans | -49.6 | 94 | 170 | -174.2 | 97.4 | 92.1 | 0 | 0 | 108.1 | C22 A26 | C22-E24 PolarHBondContact O-N 3.19Å; E24-A26 PolarHBondContact O-N 3.03Å; E24-A26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | S | 53.1 | Low | 62.9 | Low | 108 Ų | 108 | 116.7 Ų | 116.7 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -70.9 | 110.4 | 174.4 | 54.6 | 0 | 0 | 0 | 0 | 106.7 | A23 | A23-S25 VanDerWaalsContact C-N 3.28Å; A23-S25 PolarHBondContact O-N 2.83Å | ||
| 26 | A | 61.1 | Low | 61.6 | Low | 82 Ų | 82 | 111 Ų | 111 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | -42.2 | 140 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E24 | E24-A26 PolarHBondContact O-N 3.03Å; E24-A26 VanDerWaalsContact O-N 3.14Å | ||
| 27 | P | 66.6 | Low | 60.3 | Low | 118 Ų | 118 | 111.5 Ų | 111.5 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 138 | -178.5 | 24.6 | -33.3 | 0 | 0 | 0 | 110.4 | A29 | P27-A29 PolarHBondContact O-N 2.75Š|
| 28 | P | 63 | Low | 59.4 | Low | 127 Ų | 127 | 108.5 Ų | 108.5 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 128.8 | 178.7 | 26 | -32.9 | 0 | 0 | 0 | 110 | ||
| 29 | A | 62.4 | Low | 58.2 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | P27 | P27-A29 PolarHBondContact O-N 2.75Š|
| 30 | P | 68 | Low | 57.1 | Low | 108 Ų | 108 | 116 Ų | 116 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 139.1 | -179.1 | 25.5 | -33.2 | 0 | 0 | 0 | 111.6 | E32 | P30-E32 VanDerWaalsContact C-N 3.3Å; P30-E32 PolarHBondContact O-N 3.25Å |
| 31 | P | 57.1 | Low | 56.1 | Low | 135 Ų | 135 | 118.2 Ų | 118.2 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 74.9 | 179.9 | 34.2 | -35.3 | 0 | 0 | 0 | 110.5 | ||
| 32 | E | 53 | Low | 55.1 | Low | 178 Ų | 178 | 114.6 Ų | 114.6 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | -8.8 | 173.7 | -133.7 | -178.5 | 122.6 | 0 | 0 | 114.5 | P30 | P30-E32 VanDerWaalsContact C-N 3.3Å; P30-E32 PolarHBondContact O-N 3.25Å |
| 33 | A | 51.4 | Low | 54.4 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -96.3 | -9.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 34 | A | 48.7 | Very low | 53.6 | Low | 95 Ų | 95 | 118.4 Ų | 118.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -93.3 | -10.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 35 | A | 48.1 | Very low | 53.4 | Low | 78 Ų | 78 | 120.2 Ų | 120.2 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -95.2 | -5.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 36 | A | 47.3 | Very low | 53.3 | Low | 81 Ų | 81 | 122.2 Ų | 122.2 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -89.7 | -11.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 37 | A | 49.8 | Very low | 53 | Low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -9.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 38 | S | 55.2 | Low | 52 | Low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 2.5 | -174.8 | 45.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 39 | R | 52.8 | Low | 51 | Low | 226 Ų | 226 | 130.8 Ų | 130.8 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -102.8 | 7.8 | 178.8 | -75 | -179.2 | 135.3 | 175.4 | -4.7 | 114.5 | T41 | R39-T41 VanDerWaalsContact C-N 3.35Å; R39-T41 PolarHBondContact O-N 2.96Å |
| 40 | A | 47.9 | Very low | 50.5 | Low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 16.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 41 | T | 54.7 | Low | 49.7 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 17.1 | -169.7 | 10.5 | 0 | 0 | 0 | 0 | 116.5 | R39 | R39-T41 VanDerWaalsContact C-N 3.35Å; R39-T41 PolarHBondContact O-N 2.96Å |
| 42 | A | 46.8 | Very low | 49.3 | Very low | 67 Ų | 67 | 134 Ų | 134 | 55% | 0.554 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -137.8 | 139.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 43 | F | 44.9 | Very low | 49.2 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 90% | 0.899 | 75% | 0.75 | S | S | * | * | trans | 86.6 | 53.1 | -179.9 | -43.4 | -68 | 0 | 0 | 0 | 115.9 | ||||
| 44 | A | 39 | Very low | 49.1 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -78 | 150.9 | 145.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 45 | R | 50.9 | Low | 48.7 | Very low | 229 Ų | 229 | 141 Ų | 141 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | 89.9 | 120.3 | -174.6 | -51.8 | -170.4 | 128.1 | 84 | 9.9 | 111.4 | ||||
| 46 | E | 50.9 | Low | 48.7 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -174.1 | 136.4 | 35.1 | -170.2 | 151.1 | 98 | 0 | 0 | 109.8 | ||||
| 47 | R | 53.7 | Low | 48.3 | Very low | 215 Ų | 215 | 146.6 Ų | 146.6 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 57.1 | 147.3 | 143.8 | -70.1 | 166.1 | 117.3 | -116.7 | -3.6 | 119.7 | ||||
| 48 | D | 46.6 | Very low | 48.5 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | cis | -177.1 | 134.1 | -10.6 | -162.8 | -128.5 | 0 | 0 | 0 | 102.5 | ||||
| 49 | D | 42.6 | Very low | 48.1 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -65.6 | -174.4 | 171.1 | -118.1 | -81 | 0 | 0 | 0 | 110.8 | ||||
| 50 | P | 51.2 | Low | 48.1 | Very low | 103 Ų | 103 | 153 Ų | 153 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | -131 | -179.1 | -20.9 | 27.9 | -5.2 | 0 | 0 | 0 | 111.3 | ||||
| 51 | D | 51.3 | Low | 48.2 | Very low | 144 Ų | 144 | 155.5 Ų | 155.5 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | 164.4 | 157.1 | 122.8 | -143.3 | -93.9 | 0 | 0 | 0 | 112.1 | |||||
| 52 | E | 48.4 | Very low | 47.3 | Very low | 151 Ų | 151 | 154 Ų | 154 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -95.8 | 170.8 | -157.2 | -152.2 | -151.7 | 112.7 | 0 | 0 | 111.7 | ||||
| 53 | R | 50.4 | Low | 47.4 | Very low | 188 Ų | 188 | 155.4 Ų | 155.4 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | 77.9 | 109.1 | 165.7 | -47.7 | -165.4 | -52.8 | -82.7 | -5.7 | 117.1 | ||||
| 54 | D | 49.3 | Very low | 47.2 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | 174.5 | 118.7 | 99.3 | -143.4 | -105.2 | 0 | 0 | 0 | 108.2 | |||||
| 55 | Q | 40.9 | Very low | 48 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -95.6 | 148.1 | 164.8 | -74.2 | -148.2 | 42.7 | 0 | 0 | 109.1 | ||||
| 56 | P | 47.4 | Very low | 47.9 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | -142.1 | 125.1 | 122.5 | 29.9 | -12.4 | 0 | 0 | 0 | 115 | |||||
| 57 | M | 40.1 | Very low | 48.3 | Very low | 166 Ų | 166 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 33.4 | 110.5 | 123.5 | -166.2 | 163.6 | 77.4 | 0 | 0 | 119.8 | |||||
| 58 | V | 54.2 | Low | 48 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -157 | 95.1 | 142.9 | -79.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 59 | K | 47.1 | Very low | 47.8 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | 59.4 | 102.1 | 92.2 | -168.2 | 154.7 | -178.9 | 174.6 | 0 | 116.2 | |||||
| 60 | R | 51.7 | Low | 48.1 | Very low | 224 Ų | 224 | 143.8 Ų | 143.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -167 | 98.9 | 140.9 | -151.6 | 154.2 | -171.9 | 156.5 | 1.6 | 110.2 | ||||
| 61 | E | 50.3 | Low | 47.5 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | 57.7 | 102.4 | 96.2 | -62 | 178.4 | 125.8 | 0 | 0 | 112.7 | |||||
| 62 | A | 36.6 | Very low | 47.6 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | 79.6 | 101.2 | 56.8 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 63 | A | 47.6 | Very low | 47.3 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -165.2 | 94.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 64 | A | 41.4 | Very low | 47.6 | Very low | 89 Ų | 89 | 141.4 Ų | 141.4 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | 55.8 | 104.6 | 69 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 65 | S | 55.1 | Low | 47.5 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | trans | -168.3 | 95 | 148.4 | -74.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 66 | D | 50.2 | Low | 47.9 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -58.5 | 147 | 160.6 | -65.5 | -88.1 | 0 | 0 | 0 | 112.1 | ||||
| 67 | H | 58.7 | Low | 47.9 | Very low | 195 Ų | 195 | 142 Ų | 142 | 90% | 0.903 | 77% | 0.769 | S | S | * | * | trans | -145.5 | 97.5 | 151.4 | -104.3 | -63.4 | 0 | 0 | 0 | 111 | ||||
| 68 | D | 46.5 | Very low | 48.4 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -62.9 | 137 | 159.1 | -133.3 | -70.2 | 0 | 0 | 0 | 110.8 | ||||
| 69 | F | 43.7 | Very low | 48.3 | Very low | 182 Ų | 182 | 141 Ų | 141 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | -156.8 | 88.8 | 151.3 | -167.1 | -100 | 0 | 0 | 0 | 111.8 | ||||
| 70 | A | 47.6 | Very low | 47.9 | Very low | 59 Ų | 59 | 136.5 Ų | 136.5 | 49% | 0.488 | 77% | 0.769 | S | S | . | * | 32.9 | 114.5 | 123.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 71 | A | 38.3 | Very low | 47.2 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | 3.3 | 123.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 72 | V | 54 | Low | 47 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | -138.5 | 105.5 | 144.3 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 73 | D | 43.3 | Very low | 47.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -59.7 | 130.8 | 158.1 | -169.4 | -78.1 | 0 | 0 | 0 | 109.8 | H75 | D73-H75 IonicContact OD1-CD2 3.94Å; D73-H75 PolarHBondContact OD1-CD2 3.19Å | ||
| 74 | K | 54.8 | Low | 47.1 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -153.4 | 101 | 159.8 | -142 | 172.3 | 178.9 | 179 | 0 | 111.9 | ||||
| 75 | H | 48.4 | Very low | 47.5 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 62% | 0.616 | 78% | 0.779 | S | S | * | * | trans | -37.9 | 131 | 157.7 | -79.7 | -126.9 | 0 | 0 | 0 | 113 | D73 | D73-H75 IonicContact OD1-CD2 3.94Å; D73-H75 PolarHBondContact OD1-CD2 3.19Å | ||
| 76 | H | 49.4 | Very low | 47 | Very low | 168 Ų | 168 | 126 Ų | 126 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -138.4 | 87.6 | 150.4 | -105.8 | 62.7 | 0 | 0 | 0 | 108.6 | ||||
| 77 | Q | 46.5 | Very low | 47.3 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -70 | 136 | 149.2 | -60.6 | 176.6 | 23.2 | 0 | 0 | 106.6 | ||||
| 78 | H | 50.5 | Low | 46.7 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -176.8 | 127.9 | 145 | -94.2 | -67.4 | 0 | 0 | 0 | 110.6 | ||||
| 79 | S | 53.2 | Low | 46.9 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 58 | 116.7 | 153.3 | 53.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 80 | G | 38 | Very low | 47.2 | Very low | 84 Ų | 84 | 117 Ų | 117 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | cis | 94.1 | 108.6 | 47.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 81 | G | 37.8 | Very low | 47.2 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 175 | 77.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 82 | S | 46.4 | Very low | 48 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -34.9 | 141.5 | 163.2 | 45.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 83 | G | 43.5 | Very low | 48.2 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 170 | 81.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 84 | G | 42.4 | Very low | 48.8 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -106.2 | -167.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 85 | P | 50.1 | Low | 48.9 | Very low | 136 Ų | 136 | 121.7 Ų | 121.7 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | cis | -124.8 | -176 | -31.3 | 30.1 | -9 | 0 | 0 | 0 | 111.2 | ||||
| 86 | G | 43.8 | Very low | 49.1 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -70.8 | -170 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 87 | P | 56.5 | Low | 48.9 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | -134.4 | 146.9 | 124.8 | 30.2 | -13.9 | 0 | 0 | 0 | 110.4 | |||||
| 88 | G | 45.6 | Very low | 49.1 | Very low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | 91.5 | 114.3 | 60.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 89 | P | 51.7 | Low | 49 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | trans | -92.2 | 132.3 | -171.5 | 34.5 | -29.2 | 0 | 0 | 0 | 111.7 | ||||
| 90 | D | 48.6 | Very low | 48.9 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -131.5 | 116.3 | 166.5 | 68.8 | -72.8 | 0 | 0 | 0 | 109.5 | ||||
| 91 | E | 49 | Very low | 49.4 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -161.6 | 104.1 | 142.4 | -133.6 | 174.8 | 77.8 | 0 | 0 | 107.5 | ||||
| 92 | S | 54.6 | Low | 49.9 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -109.3 | 116.3 | 164.7 | -54.3 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 93 | D | 57.6 | Low | 50.1 | Low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -156.9 | 132 | 158.8 | -151.4 | -114 | 0 | 0 | 0 | 112 | ||||
| 94 | D | 55.9 | Low | 50.5 | Low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 80% | 0.804 | S | S | * | * | trans | 43.2 | 106.3 | 158.2 | -92.4 | -115.4 | 0 | 0 | 0 | 121.3 | ||||
| 95 | S | 57.6 | Low | 51.2 | Low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | 63.3 | 123.6 | 74.5 | -67.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 96 | K | 52.9 | Low | 51.5 | Low | 214 Ų | 214 | 148.6 Ų | 148.6 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | 84 | 102.7 | 147.6 | -157 | 179.1 | -176.2 | -171.1 | 0 | 117.8 | ||||
| 97 | G | 44 | Very low | 52.2 | Low | 64 Ų | 64 | 150.1 Ų | 150.1 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | trans | 165 | 89 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 98 | Q | 51.1 | Low | 52.1 | Low | 193 Ų | 193 | 153 Ų | 153 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 73.4 | 110 | 142.7 | -61.9 | 179 | 77.4 | 0 | 0 | 118.9 | Q100 | Q98-Q100 PolarHBondContact O-N 2.93Š| ||
| 99 | Q | 48.4 | Very low | 52.6 | Low | 184 Ų | 184 | 156.6 Ų | 156.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -49.4 | 122.1 | 156.5 | -67.6 | 164.2 | 12.2 | 0 | 0 | 110.9 | ||||
| 100 | Q | 50.9 | Low | 52.8 | Low | 195 Ų | 195 | 158.1 Ų | 158.1 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -142.4 | 118.9 | 145.2 | -116.4 | 167.3 | 48.3 | 0 | 0 | 109.1 | Q98 | Q98-Q100 PolarHBondContact O-N 2.93Š| ||
| 101 | Q | 49.8 | Very low | 53.2 | Low | 158 Ų | 158 | 157.3 Ų | 157.3 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -67.6 | 146.8 | -178.1 | -56.7 | 164.9 | 21.7 | 0 | 0 | 109.2 | ||||
| 102 | Q | 48.3 | Very low | 53.4 | Low | 158 Ų | 158 | 154.3 Ų | 154.3 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 133.9 | 116.3 | 136.4 | -68.6 | 171.8 | 72.4 | 0 | 0 | 114.3 | ||||
| 103 | H | 49.1 | Very low | 53.5 | Low | 164 Ų | 164 | 154.1 Ų | 154.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 76.3 | 83.6 | 163 | -53.4 | -71.3 | 0 | 0 | 0 | 119.4 | P105 | H103-P105 WeakPolarHBondContact O-CD 3.39Š| ||
| 104 | H | 52.1 | Low | 53.6 | Low | 193 Ų | 193 | 152.9 Ų | 152.9 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 116.9 | 157.4 | -69.5 | 78.2 | 0 | 0 | 0 | 110 | ||
| 105 | P | 58.1 | Low | 53.7 | Low | 122 Ų | 122 | 152.8 Ų | 152.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.3 | 165.1 | 29 | -30.1 | 0 | 0 | 0 | 109.3 | H103 | H103-P105 WeakPolarHBondContact O-CD 3.39Š|
| 106 | R | 56.9 | Low | 53.8 | Low | 233 Ų | 233 | 153.2 Ų | 153.2 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 142.1 | -177.1 | -61.4 | 172.1 | 85.2 | -164.9 | 7.3 | 111.3 | R108 | R106-R108 PolarHBondContact O-N 3.48Š|
| 107 | P | 58.2 | Low | 54 | Low | 103 Ų | 103 | 147.9 Ų | 147.9 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 123.3 | -177.4 | -8.7 | 22.4 | 0 | 0 | 0 | 110.7 | H109 | P107-H109 HydrophobicContact CB-CB 4.48Å; P107-H109 PolarHBondContact O-N 2.96Å |
| 108 | R | 53.1 | Low | 54.7 | Low | 195 Ų | 195 | 149.5 Ų | 149.5 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | -71.7 | 41.8 | 169.4 | -78 | -158.9 | 161.7 | -166.4 | -1 | 112.6 | R106 H110 | R106-R108 PolarHBondContact O-N 3.48Å; R108-H110 PolarHBondContact O-N 2.89Å | ||
| 109 | H | 57.1 | Low | 55.2 | Low | 137 Ų | 137 | 144 Ų | 144 | 63% | 0.634 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.4 | -14.9 | -179 | -101.7 | -82.4 | 0 | 0 | 0 | 114 | P107 | P107-H109 HydrophobicContact CB-CB 4.48Å; P107-H109 PolarHBondContact O-N 2.96Å |
| 110 | H | 56.1 | Low | 56 | Low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.787 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.4 | -23.7 | -179 | -72.8 | 74.6 | 0 | 0 | 0 | 113.7 | R108 | R108-H110 PolarHBondContact O-N 2.89Å |
| 111 | Q | 55.6 | Low | 56.7 | Low | 130 Ų | 130 | 134.1 Ų | 134.1 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.5 | -35.8 | -176.9 | -151.1 | 174.4 | 62.3 | 0 | 0 | 111.8 | H113 H114 Q115 | Q111-H113 VanDerWaalsContact C-N 3.34Å; Q111-H113 PolarHBondContact O-N 2.91Å; Q111-H114 PolarHBondContact O-N 3.35Å; Q111-Q115 PolarHBondContact O-N 3.17Å |
| 112 | H | 53.6 | Low | 57.2 | Low | 130 Ų | 130 | 130.7 Ų | 130.7 | 60% | 0.602 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.5 | -34 | 176 | -83.5 | -110 | 0 | 0 | 0 | 113 | H114 Q115 Q116 | H112-H114 VanDerWaalsContact C-N 3.3Å; H112-H114 PolarHBondContact O-N 3.46Å; H112-Q115 PolarHBondContact O-N 3.21Å; H112-Q116 PolarHBondContact O-N 3.18Å; H112-Q116 VanDerWaalsContact O-N 3.1Å |
| 113 | H | 58.1 | Low | 57.8 | Low | 114 Ų | 114 | 125.2 Ų | 125.2 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.2 | -31.7 | 179.1 | -111.1 | -78.3 | 0 | 0 | 0 | 112.9 | Q111 Q117 | Q111-H113 VanDerWaalsContact C-N 3.34Å; Q111-H113 PolarHBondContact O-N 2.91Å; H113-Q117 WeakPolarHBondContact O-CB 3.46Å; H113-Q117 WeakPolarHBondContact O-CG 3.4Å; H113-Q117 PolarHBondContact O-N 3.4Å; H113-Q117 PolarHBondContact O-NE2 2.9Å |
| 114 | H | 58 | Low | 58.3 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77 | -38.4 | -179.8 | -135.1 | 75.7 | 0 | 0 | 0 | 111.8 | Q111 H112 Q117 Q118 | Q111-H114 PolarHBondContact O-N 3.35Å; H112-H114 VanDerWaalsContact C-N 3.3Å; H112-H114 PolarHBondContact O-N 3.46Å; H114-Q117 PolarHBondContact O-N 2.9Å; H114-Q118 WeakPolarHBondContact O-CG 3.18Å; H114-Q118 PolarHBondContact O-N 3.16Å |
| 115 | Q | 59.2 | Low | 58.7 | Low | 124 Ų | 124 | 120.6 Ų | 120.6 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.6 | -45.7 | 176 | -154.6 | 95.5 | 84.5 | 0 | 0 | 111.3 | Q111 H112 Q117 Q118 D119 | Q111-Q115 PolarHBondContact O-N 3.17Å; H112-Q115 PolarHBondContact O-N 3.21Å; Q115-Q117 VanDerWaalsContact C-N 3.29Å; Q115-Q117 PolarHBondContact O-N 3.18Å; Q115-Q118 PolarHBondContact O-N 3.31Å; Q115-D119 PolarHBondContact O-N 3.36Å; Q115-D119 VanDerWaalsContact O-N 3.12Å |
| 116 | Q | 58.4 | Low | 58.7 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.8 | -34.6 | 176.7 | -77.3 | 178.2 | 5.3 | 0 | 0 | 112.9 | H112 D119 T120 | H112-Q116 PolarHBondContact O-N 3.18Å; H112-Q116 VanDerWaalsContact O-N 3.1Å; Q116-D119 PolarHBondContact O-N 2.9Å; Q116-T120 WeakPolarHBondContact O-CG2 3.46Å; Q116-T120 PolarHBondContact O-N 3.01Å |
| 117 | Q | 58.7 | Low | 58.5 | Low | 101 Ų | 101 | 108.5 Ų | 108.5 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 176.5 | -78.9 | 170.6 | 63.4 | 0 | 0 | 111.9 | H113 H114 Q115 T120 V121 | H113-Q117 WeakPolarHBondContact O-CB 3.46Å; H113-Q117 WeakPolarHBondContact O-CG 3.4Å; H113-Q117 PolarHBondContact O-N 3.4Å; H113-Q117 PolarHBondContact O-NE2 2.9Å; H114-Q117 PolarHBondContact O-N 2.9Å; Q115-Q117 VanDerWaalsContact C-N 3.29Å; Q115-Q117 PolarHBondContact O-N 3.18Å; Q117-T120 PolarHBondContact O-N 3.16Å; Q117-T120 PolarHBondContact O-OG1 2.7Å; Q117-V121 PolarHBondContact O-N 2.94Å |
| 118 | Q | 58.8 | Low | 58.4 | Low | 99 Ų | 99 | 106.9 Ų | 106.9 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 175.3 | -69.8 | 174.4 | -8 | 0 | 0 | 111.8 | H114 Q115 T120 V121 E122 | H114-Q118 WeakPolarHBondContact O-CG 3.18Å; H114-Q118 PolarHBondContact O-N 3.16Å; Q115-Q118 PolarHBondContact O-N 3.31Å; Q118-T120 PolarHBondContact O-N 3.42Å; Q118-V121 WeakPolarHBondContact O-CG2 3.23Å; Q118-V121 PolarHBondContact O-N 3.05Å; Q118-E122 PolarHBondContact O-N 3.08Å |
| 119 | D | 61.4 | Low | 58.5 | Low | 77 Ų | 77 | 100.5 Ų | 100.5 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 176.3 | -65.4 | -41.1 | 0 | 0 | 0 | 112.1 | Q115 Q116 A123 | Q115-D119 PolarHBondContact O-N 3.36Å; Q115-D119 VanDerWaalsContact O-N 3.12Å; Q116-D119 PolarHBondContact O-N 2.9Å; D119-A123 WeakPolarHBondContact O-CB 3.01Å; D119-A123 PolarHBondContact O-N 3.27Å |
| 120 | T | 63.6 | Low | 58.5 | Low | 79 Ų | 79 | 99 Ų | 99 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.5 | -34.3 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | Q116 Q117 Q118 R124 | Q116-T120 WeakPolarHBondContact O-CG2 3.46Å; Q116-T120 PolarHBondContact O-N 3.01Å; Q117-T120 PolarHBondContact O-N 3.16Å; Q117-T120 PolarHBondContact O-OG1 2.7Å; Q118-T120 PolarHBondContact O-N 3.42Å; T120-R124 WeakPolarHBondContact O-CG 3.4Å; T120-R124 PolarHBondContact O-N 3.44Å; T120-R124 VanDerWaalsContact O-N 3.08Å |
| 121 | V | 66.1 | Low | 58.5 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.9 | -37.5 | 176.9 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | Q117 Q118 R124 A125 | Q117-V121 PolarHBondContact O-N 2.94Å; Q118-V121 WeakPolarHBondContact O-CG2 3.23Å; Q118-V121 PolarHBondContact O-N 3.05Å; V121-R124 PolarHBondContact O-N 2.9Å; V121-A125 PolarHBondContact O-N 2.78Å |
| 122 | E | 61.3 | Low | 58.9 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.2 | -36.1 | 179.3 | -146.3 | 139.2 | 108 | 0 | 0 | 111.2 | Q118 R124 A125 A126 N156 | Q118-E122 PolarHBondContact O-N 3.08Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 2.87Å; E122-A125 PolarHBondContact O-N 2.93Å; E122-A126 PolarHBondContact O-N 3.37Å; E122-N156 VanDerWaalsContact CG-OD1 3.26Å; E122-N156 WeakPolarHBondContact CG-OD1 3.19Å; E122-N156 PolarHBondContact OE1-ND2 3.46Å; E122-N156 PolarHBondContact OE1-OD1 3.06Å |
| 123 | A | 59.6 | Low | 59.8 | Low | 44 Ų | 44 | 91.8 Ų | 91.8 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D119 A126 A127 | D119-A123 WeakPolarHBondContact O-CB 3.01Å; D119-A123 PolarHBondContact O-N 3.27Å; A123-A126 PolarHBondContact O-N 2.81Å; A123-A127 WeakPolarHBondContact O-CB 3.34Å; A123-A127 PolarHBondContact O-N 2.82Å |
| 124 | R | 60.8 | Low | 60.5 | Low | 196 Ų | 196 | 89.8 Ų | 89.8 | 74% | 0.74 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.1 | -37.4 | 173.4 | -80.1 | 178.5 | 176.2 | -175.9 | 0.3 | 112.3 | T120 V121 E122 A126 A127 A128 | T120-R124 WeakPolarHBondContact O-CG 3.4Å; T120-R124 PolarHBondContact O-N 3.44Å; T120-R124 VanDerWaalsContact O-N 3.08Å; V121-R124 PolarHBondContact O-N 2.9Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 2.87Å; R124-A126 VanDerWaalsContact C-N 3.32Å; R124-A127 WeakPolarHBondContact O-CB 3.25Å; R124-A127 PolarHBondContact O-N 3.24Å; R124-A128 PolarHBondContact O-N 3.06Å |
| 125 | A | 59.3 | Low | 61.6 | Low | 64 Ų | 64 | 88.6 Ų | 88.6 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V121 E122 A127 A128 A129 | V121-A125 PolarHBondContact O-N 2.78Å; E122-A125 PolarHBondContact O-N 2.93Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-A127 PolarHBondContact O-N 3.07Å; A125-A128 PolarHBondContact O-N 3.43Å; A125-A129 PolarHBondContact O-N 3.02Å |
| 126 | A | 57.9 | Low | 63 | Low | 40 Ų | 40 | 86.2 Ų | 86.2 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E122 A123 R124 A129 F150 | E122-A126 PolarHBondContact O-N 3.37Å; A123-A126 PolarHBondContact O-N 2.81Å; R124-A126 VanDerWaalsContact C-N 3.32Å; A126-A129 PolarHBondContact O-N 3.48Å; A126-F150 HydrophobicContact CB-CE1 3.9Å; A126-F150 HydrophobicContact CB-CZ 3.63Å |
| 127 | A | 54.3 | Low | 64.5 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.8 | -36.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | A123 R124 A125 A129 S130 | A123-A127 WeakPolarHBondContact O-CB 3.34Å; A123-A127 PolarHBondContact O-N 2.82Å; R124-A127 WeakPolarHBondContact O-CB 3.25Å; R124-A127 PolarHBondContact O-N 3.24Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-A127 PolarHBondContact O-N 3.07Å; A127-A129 PolarHBondContact O-N 3.02Å; A127-S130 VanDerWaalsContact O-CB 3.28Å; A127-S130 WeakPolarHBondContact O-CB 3.35Å; A127-S130 PolarHBondContact O-N 3.48Å; A127-S130 PolarHBondContact O-OG 3.47Å |
| 128 | A | 54.7 | Low | 65.9 | Low | 70 Ų | 70 | 78.7 Ų | 78.7 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -27.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R124 A125 S130 S131 | R124-A128 PolarHBondContact O-N 3.06Å; A125-A128 PolarHBondContact O-N 3.43Å; A128-S130 PolarHBondContact O-N 3.37Å; A128-S131 PolarHBondContact O-OG 2.87Å |
| 129 | A | 55.7 | Low | 67.2 | Low | 61 Ų | 61 | 75.8 Ų | 75.8 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -71.6 | -6.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A125 A126 A127 S131 A132 | A125-A129 PolarHBondContact O-N 3.02Å; A126-A129 PolarHBondContact O-N 3.48Å; A127-A129 PolarHBondContact O-N 3.02Å; A129-S131 PolarHBondContact O-N 2.85Å; A129-A132 WeakPolarHBondContact O-CB 3.34Å; A129-A132 PolarHBondContact O-N 2.78Å |
| 130 | S | 57.4 | Low | 68.5 | Low | 104 Ų | 104 | 74.7 Ų | 74.7 | 73% | 0.727 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -73.6 | -11.1 | 179.7 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | A127 A128 | A127-S130 VanDerWaalsContact O-CB 3.28Å; A127-S130 WeakPolarHBondContact O-CB 3.35Å; A127-S130 PolarHBondContact O-N 3.48Å; A127-S130 PolarHBondContact O-OG 3.47Å; A128-S130 PolarHBondContact O-N 3.37Å |
| 131 | S | 56.8 | Low | 69.7 | Low | 111 Ų | 111 | 80.6 Ų | 80.6 | 78% | 0.776 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -90.5 | -6.9 | 172.5 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | A128 A129 | A128-S131 PolarHBondContact O-OG 2.87Å; A129-S131 PolarHBondContact O-N 2.85Å |
| 132 | A | 64 | Low | 70.8 | Confident | 58 Ų | 58 | 76.8 Ų | 76.8 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -70.2 | 142.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A129 | A129-A132 WeakPolarHBondContact O-CB 3.34Å; A129-A132 PolarHBondContact O-N 2.78Å |
| 133 | P | 71.3 | Confident | 72.3 | Confident | 111 Ų | 111 | 82.3 Ų | 82.3 | 72% | 0.721 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 132.2 | 176.2 | 21.6 | -32.3 | 0 | 0 | 0 | 109.8 | L135 | P133-L135 PolarHBondContact O-N 3.32Å; P133-L135 VanDerWaalsContact O-N 3.1Å |
| 134 | P | 73.1 | Confident | 73.8 | Confident | 72 Ų | 72 | 84.4 Ų | 84.4 | 47% | 0.468 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 120.9 | -173.9 | 23.8 | -33.4 | 0 | 0 | 0 | 109.4 | ||
| 135 | L | 81 | Confident | 75.3 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 133.1 | 178.8 | -70.5 | 169.8 | 0 | 0 | 0 | 109.7 | P133 T145 W169 A171 | P133-L135 PolarHBondContact O-N 3.32Å; P133-L135 VanDerWaalsContact O-N 3.1Å; L135-T145 PolarHBondContact O-OG1 3.06Å; L135-W169 HydrophobicContact CB-CH2 3.75Å; L135-W169 HydrophobicContact CB-CZ3 4.39Å; L135-W169 HydrophobicContact CD1-CH2 4.48Å; L135-A171 HydrophobicContact CD1-CB 3.54Å |
| 136 | P | 88.7 | Confident | 76.9 | Confident | 73 Ų | 73 | 79.7 Ų | 79.7 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -66 | 142.2 | -177.9 | 27.3 | -34 | 0 | 0 | 0 | 110.2 | P138 S142 | P136-P138 WeakPolarHBondContact O-CD 3.46Å; P136-S142 WeakPolarHBondContact CA-O 2.85Å |
| 137 | C | 90.3 | Very high | 78.6 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.007 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 124.2 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 110 | R139 C140 R141 S142 T145 C162 | C137-R139 PolarHBondContact O-N 3.28Å; C137-C140 PolarHBondContact O-N 3.43Å; C137-R141 WeakPolarHBondContact O-CA 3.4Å; C137-R141 PolarHBondContact O-N 3.08Å; C137-S142 WeakPolarHBondContact CB-OG 3.36Å; C137-S142 PolarHBondContact N-O 3.16Å; C137-T145 HydrophobicContact CB-CG2 3.76Å; C137-C162 HydrophobicContact CB-CB 3.95Å; C137-C162 VanDerWaalsContact SG-CB 3.58Å; C137-C162 VanDerWaalsContact SG-SG 3.67Å |
| 138 | P | 88.2 | Confident | 80.4 | Confident | 58 Ų | 58 | 82 Ų | 82 | 38% | 0.377 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.4 | -177.5 | 25.9 | -35.3 | 0 | 0 | 0 | 113.7 | P136 W169 L175 | P136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-W169 HydrophobicContact CG-CB 4.37Å; P138-W169 HydrophobicContact CG-CG 4.46Å; P138-L175 HydrophobicContact CB-CD2 4.11Å; P138-L175 HydrophobicContact CG-CD1 4.15Å; P138-L175 HydrophobicContact CG-CD2 4.35Å |
| 139 | R | 85.6 | Confident | 82.3 | Confident | 38 Ų | 38 | 83.5 Ų | 83.5 | 14% | 0.143 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -37.5 | -177.2 | -57.1 | -175.8 | 179.8 | 170.3 | 4 | 113.6 | C137 Y168 V178 | C137-R139 PolarHBondContact O-N 3.28Å; R139-Y168 PolarHBondContact NH2-O 2.9Å; R139-V178 HydrophobicContact CG-CG1 3.95Å |
| 140 | C | 88.9 | Confident | 84.1 | Confident | 54 Ų | 54 | 83.9 Ų | 83.9 | 37% | 0.365 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 2.1 | -173.3 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | C137 S142 C165 | C137-C140 PolarHBondContact O-N 3.43Å; C140-S142 PolarHBondContact O-N 2.78Å; C140-S142 VanDerWaalsContact O-N 3.07Å; C140-S142 PolarHBondContact SG-OG 3.02Å; C140-C165 HydrophobicContact CB-CB 4.2Å; C140-C165 VanDerWaalsContact SG-SG 3.65Å |
| 141 | R | 88.7 | Confident | 85.6 | Confident | 203 Ų | 203 | 79.7 Ų | 79.7 | 77% | 0.766 | 42% | 0.415 | S | S | * | . | trans | 59.7 | 12.8 | -179.1 | -55.2 | 177.2 | -176.9 | 169.3 | -0.5 | 114.9 | C137 | C137-R141 WeakPolarHBondContact O-CA 3.4Å; C137-R141 PolarHBondContact O-N 3.08Å | ||
| 142 | S | 89.9 | Confident | 87.1 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | trans | -66.1 | 143.1 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | P136 C137 C140 N144 C162 D164 | P136-S142 WeakPolarHBondContact CA-O 2.85Å; C137-S142 WeakPolarHBondContact CB-OG 3.36Å; C137-S142 PolarHBondContact N-O 3.16Å; C140-S142 PolarHBondContact O-N 2.78Å; C140-S142 VanDerWaalsContact O-N 3.07Å; C140-S142 PolarHBondContact SG-OG 3.02Å; S142-N144 VanDerWaalsContact C-N 3.31Å; S142-C162 PolarHBondContact OG-SG 3.4Å; S142-D164 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 143 | R | 92.4 | Very high | 88.2 | Confident | 200 Ų | 200 | 89 Ų | 89 | 76% | 0.755 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -84.7 | -2.5 | 168.3 | -64.9 | -177.7 | 177.2 | 129.3 | -2.3 | 113.7 | T145 | R143-T145 PolarHBondContact O-N 2.94Š|
| 144 | N | 91.7 | Very high | 88.7 | Confident | 89 Ų | 89 | 87.2 Ų | 87.2 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | trans | -81.7 | 59.1 | 178.6 | -60.1 | -46.9 | 0 | 0 | 0 | 112.1 | S142 K163 D164 | S142-N144 VanDerWaalsContact C-N 3.31Å; N144-K163 HydrophobicContact CB-CB 4.06Å; N144-K163 HydrophobicContact CB-CD 4.34Å; N144-K163 PolarHBondContact O-N 3.4Å; N144-D164 WeakPolarHBondContact CB-OD2 3.16Å; N144-D164 PolarHBondContact ND2-OD2 3.47Å | ||
| 145 | T | 92.4 | Very high | 89.4 | Confident | 21 Ų | 21 | 87 Ų | 87 | 13% | 0.129 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.7 | 176.3 | 60.9 | 0 | 0 | 0 | 0 | 109.9 | L135 C137 R143 F161 C162 W169 | L135-T145 PolarHBondContact O-OG1 3.06Å; C137-T145 HydrophobicContact CB-CG2 3.76Å; R143-T145 PolarHBondContact O-N 2.94Å; T145-F161 CarbonylContact C-O 3.49Å; T145-F161 WeakPolarHBondContact CA-O 3.21Å; T145-C162 HydrophobicContact CG2-CB 4.2Å; T145-W169 HydrophobicContact CG2-CZ2 3.67Å |
| 146 | K | 92.9 | Very high | 89.7 | Confident | 140 Ų | 140 | 87 Ų | 87 | 61% | 0.609 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.5 | 178.2 | -167.9 | -170.5 | 172.2 | 177.7 | 0 | 109.5 | C148 H160 F161 | K146-C148 PolarHBondContact O-N 3.25Å; K146-H160 CarbonylContact O-C 3.19Å; K146-H160 VanDerWaalsContact O-CA 3.27Å; K146-H160 WeakPolarHBondContact O-CA 3.41Å; K146-F161 PolarHBondContact N-O 3.24Å; K146-F161 PolarHBondContact O-N 3.27Å |
| 147 | F | 92.2 | Very high | 89.7 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 134.5 | 165.5 | 175.2 | -98.5 | 0 | 0 | 0 | 110.4 | F150 P158 | F147-F150 HydrophobicContact CE1-CE2 4.31Å; F147-F150 HydrophobicContact CE2-CD1 4.05Å; F147-F150 HydrophobicContact CE2-CD2 4.43Å; F147-F150 AromaticContact CE2-CE1 3.86Å; F147-F150 HydrophobicContact CE2-CE1 3.86Å; F147-F150 HydrophobicContact CE2-CE2 4.23Å; F147-F150 HydrophobicContact CE2-CG 4.35Å; F147-F150 AromaticContact CE2-CZ 3.94Å; F147-F150 HydrophobicContact CE2-CZ 3.94Å; F147-F150 HydrophobicContact CZ-CD1 4.14Å; F147-F150 AromaticContact CZ-CD2 3.71Å; F147-F150 HydrophobicContact CZ-CD2 3.71Å; F147-F150 AromaticContact CZ-CE1 3.98Å; F147-F150 HydrophobicContact CZ-CE1 3.98Å; F147-F150 AromaticContact CZ-CE2 3.5Å; F147-F150 HydrophobicContact CZ-CE2 3.5Å; F147-F150 HydrophobicContact CZ-CG 4.02Å; F147-F150 AromaticContact CZ-CZ 3.65Å; F147-F150 HydrophobicContact CZ-CZ 3.65Å; F147-P158 HydrophobicContact CD2-CB 3.84Å; F147-P158 HydrophobicContact CE2-CB 3.56Å |
| 148 | C | 93.2 | Very high | 89.7 | Confident | 60 Ų | 60 | 87.8 Ų | 87.8 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -57.1 | -176.8 | -163.1 | 0 | 0 | 0 | 0 | 112.1 | K146 R159 F161 Y168 | K146-C148 PolarHBondContact O-N 3.25Å; C148-R159 PolarHBondContact N-O 3.28Å; C148-F161 HydrophobicContact CB-CB 4.45Å; C148-Y168 HydrophobicContact CB-CE1 4.28Å |
| 149 | Y | 94.8 | Very high | 89.9 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 163.5 | 179.4 | 62.6 | -78.9 | 0 | 0 | 0 | 110 | R159 Y168 | Y149-R159 HydrophobicContact CE1-CB 4.49Å; Y149-R159 VanDerWaalsContact CE2-CD 3.42Å; Y149-R159 WeakPolarHBondContact O-CB 3.28Å; Y149-R159 PolarHBondContact O-N 3.1Å; Y149-R159 WeakPolarHBondContact OH-CD 3.19Å; Y149-Y168 HydrophobicContact CE1-CE1 4.42Å |
| 150 | F | 93.2 | Very high | 90.3 | Very high | 69 Ų | 69 | 86.6 Ų | 86.6 | 30% | 0.303 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 152 | 172.1 | -66.1 | -73.8 | 0 | 0 | 0 | 111.4 | A126 F147 V155 P158 | A126-F150 HydrophobicContact CB-CE1 3.9Å; A126-F150 HydrophobicContact CB-CZ 3.63Å; F147-F150 HydrophobicContact CE1-CE2 4.31Å; F147-F150 HydrophobicContact CE2-CD1 4.05Å; F147-F150 HydrophobicContact CE2-CD2 4.43Å; F147-F150 AromaticContact CE2-CE1 3.86Å; F147-F150 HydrophobicContact CE2-CE1 3.86Å; F147-F150 HydrophobicContact CE2-CE2 4.23Å; F147-F150 HydrophobicContact CE2-CG 4.35Å; F147-F150 AromaticContact CE2-CZ 3.94Å; F147-F150 HydrophobicContact CE2-CZ 3.94Å; F147-F150 HydrophobicContact CZ-CD1 4.14Å; F147-F150 AromaticContact CZ-CD2 3.71Å; F147-F150 HydrophobicContact CZ-CD2 3.71Å; F147-F150 AromaticContact CZ-CE1 3.98Å; F147-F150 HydrophobicContact CZ-CE1 3.98Å; F147-F150 AromaticContact CZ-CE2 3.5Å; F147-F150 HydrophobicContact CZ-CE2 3.5Å; F147-F150 HydrophobicContact CZ-CG 4.02Å; F147-F150 AromaticContact CZ-CZ 3.65Å; F147-F150 HydrophobicContact CZ-CZ 3.65Å; F150-V155 WeakPolarHBondContact CD1-O 3.34Å; F150-P158 HydrophobicContact CD1-CB 4.07Å; F150-P158 HydrophobicContact CE1-CB 3.97Å |
| 151 | N | 89.1 | Confident | 90.5 | Very high | 15 Ų | 15 | 86.8 Ų | 86.8 | 8% | 0.08 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 134.8 | 176.8 | -169.5 | 20.4 | 0 | 0 | 0 | 110.9 | Y153 N154 Q157 R159 | N151-Y153 PolarHBondContact O-N 3.29Å; N151-Y153 VanDerWaalsContact O-N 3.16Å; N151-N154 CarbonylContact O-C 3.58Å; N151-N154 PolarHBondContact O-N 3.03Å; N151-N154 VanDerWaalsContact O-N 3.08Å; N151-Q157 HydrophobicContact CB-CB 4.07Å; N151-Q157 PolarHBondContact N-O 2.89Å; N151-Q157 PolarHBondContact ND2-OE1 3.03Å; N151-R159 VanDerWaalsContact CG-NH2 3.3Å; N151-R159 PolarHBondContact ND2-NH2 2.94Å; N151-R159 PolarHBondContact OD1-NH2 2.96Å |
| 152 | N | 87 | Confident | 90.7 | Very high | 154 Ų | 154 | 77.1 Ų | 77.1 | 82% | 0.824 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.3 | -179.9 | -62.8 | -32.8 | 0 | 0 | 0 | 113.5 | ||
| 153 | Y | 86.9 | Confident | 90.8 | Very high | 212 Ų | 212 | 82.2 Ų | 82.2 | 83% | 0.831 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -21.5 | 178.4 | -57.6 | -76.3 | 0 | 0 | 0 | 113.1 | N151 | N151-Y153 PolarHBondContact O-N 3.29Å; N151-Y153 VanDerWaalsContact O-N 3.16Å |
| 154 | N | 83 | Confident | 90.7 | Very high | 73 Ų | 73 | 75.4 Ų | 75.4 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 111.5 | -177.7 | -174.5 | -9.5 | 0 | 0 | 0 | 110 | N151 N156 Q157 | N151-N154 CarbonylContact O-C 3.58Å; N151-N154 PolarHBondContact O-N 3.03Å; N151-N154 VanDerWaalsContact O-N 3.08Å; N154-N156 PolarHBondContact O-N 3.09Å; N154-N156 WeakPolarHBondContact OD1-CA 3.27Å; N154-N156 VanDerWaalsContact OD1-CB 3.28Å; N154-N156 WeakPolarHBondContact OD1-CB 3.49Å; N154-N156 PolarHBondContact OD1-N 3.39Å; N154-Q157 HydrophobicContact CB-CB 4.13Å; N154-Q157 WeakPolarHBondContact O-CB 3.02Å; N154-Q157 PolarHBondContact O-N 3.18Å |
| 155 | V | 86.8 | Confident | 90.6 | Very high | 66 Ų | 66 | 71.8 Ų | 71.8 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | -26.2 | 176.6 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | F150 Q157 | F150-V155 WeakPolarHBondContact CD1-O 3.34Å; V155-Q157 PolarHBondContact O-N 2.81Å |
| 156 | N | 87.9 | Confident | 90.6 | Very high | 98 Ų | 98 | 77.1 Ų | 77.1 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 9 | 176.8 | -64.9 | -30.8 | 0 | 0 | 0 | 114 | E122 N154 P158 | E122-N156 VanDerWaalsContact CG-OD1 3.26Å; E122-N156 WeakPolarHBondContact CG-OD1 3.19Å; E122-N156 PolarHBondContact OE1-ND2 3.46Å; E122-N156 PolarHBondContact OE1-OD1 3.06Å; N154-N156 PolarHBondContact O-N 3.09Å; N154-N156 WeakPolarHBondContact OD1-CA 3.27Å; N154-N156 VanDerWaalsContact OD1-CB 3.28Å; N154-N156 WeakPolarHBondContact OD1-CB 3.49Å; N154-N156 PolarHBondContact OD1-N 3.39Å; N156-P158 VanDerWaalsContact C-CD 3.42Å; N156-P158 WeakPolarHBondContact O-CD 3.49Å |
| 157 | Q | 88.1 | Confident | 90.5 | Very high | 59 Ų | 59 | 74.3 Ų | 74.3 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 76.3 | 177.8 | -162.8 | -178 | 16.5 | 0 | 0 | 111.7 | N151 N154 V155 R159 T170 | N151-Q157 HydrophobicContact CB-CB 4.07Å; N151-Q157 PolarHBondContact N-O 2.89Å; N151-Q157 PolarHBondContact ND2-OE1 3.03Å; N154-Q157 HydrophobicContact CB-CB 4.13Å; N154-Q157 WeakPolarHBondContact O-CB 3.02Å; N154-Q157 PolarHBondContact O-N 3.18Å; V155-Q157 PolarHBondContact O-N 2.81Å; Q157-R159 PolarHBondContact O-N 3.27Å; Q157-T170 HydrophobicContact CG-CG2 3.89Å |
| 158 | P | 91.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 75.6 Ų | 75.6 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 128.7 | 179.2 | 26.6 | -34.7 | 0 | 0 | 0 | 112 | F147 F150 N156 H160 | F147-P158 HydrophobicContact CD2-CB 3.84Å; F147-P158 HydrophobicContact CE2-CB 3.56Å; F150-P158 HydrophobicContact CD1-CB 4.07Å; F150-P158 HydrophobicContact CE1-CB 3.97Å; N156-P158 VanDerWaalsContact C-CD 3.42Å; N156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-H160 PolarHBondContact O-ND1 3.22Å |
| 159 | R | 92.1 | Very high | 90.3 | Very high | 37 Ų | 37 | 73.5 Ų | 73.5 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.3 | 175.2 | -63.9 | 176.7 | 178.9 | -78 | -1.3 | 110.6 | C148 Y149 N151 Q157 T170 | C148-R159 PolarHBondContact N-O 3.28Å; Y149-R159 HydrophobicContact CE1-CB 4.49Å; Y149-R159 VanDerWaalsContact CE2-CD 3.42Å; Y149-R159 WeakPolarHBondContact O-CB 3.28Å; Y149-R159 PolarHBondContact O-N 3.1Å; Y149-R159 WeakPolarHBondContact OH-CD 3.19Å; N151-R159 VanDerWaalsContact CG-NH2 3.3Å; N151-R159 PolarHBondContact ND2-NH2 2.94Å; N151-R159 PolarHBondContact OD1-NH2 2.96Å; Q157-R159 PolarHBondContact O-N 3.27Å; R159-T170 HydrophobicContact CG-CG2 3.89Å |
| 160 | H | 93.6 | Very high | 90.1 | Very high | 35 Ų | 35 | 69.9 Ų | 69.9 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.9 | 178.2 | -63.4 | 76.2 | 0 | 0 | 0 | 109.9 | K146 P158 Y168 W169 | K146-H160 CarbonylContact O-C 3.19Å; K146-H160 VanDerWaalsContact O-CA 3.27Å; K146-H160 WeakPolarHBondContact O-CA 3.41Å; P158-H160 PolarHBondContact O-ND1 3.22Å; H160-Y168 CarbonylContact O-C 3.53Å; H160-Y168 VanDerWaalsContact O-CA 3.25Å; H160-Y168 WeakPolarHBondContact O-CA 3.39Å; H160-W169 HydrophobicContact CB-CD2 3.92Å; H160-W169 HydrophobicContact CB-CE3 4.47Å; H160-W169 HydrophobicContact CB-CG 4.39Å; H160-W169 HydrophobicContact CB-CH2 3.95Å; H160-W169 HydrophobicContact CB-CZ2 3.4Å; H160-W169 HydrophobicContact CB-CZ3 4.49Å; H160-W169 AromaticContact CG-CH2 3.76Å; H160-W169 AromaticContact CG-CZ2 3.67Å; H160-W169 PolarHBondContact N-O 2.79Å; H160-W169 PolarHBondContact O-N 3.14Å |
| 161 | F | 92.6 | Very high | 89.6 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 25% | 0.25 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.4 | 172.9 | -179.3 | -103.4 | 0 | 0 | 0 | 109.8 | T145 K146 C148 K163 H166 Y168 | T145-F161 CarbonylContact C-O 3.49Å; T145-F161 WeakPolarHBondContact CA-O 3.21Å; K146-F161 PolarHBondContact N-O 3.24Å; K146-F161 PolarHBondContact O-N 3.27Å; C148-F161 HydrophobicContact CB-CB 4.45Å; F161-K163 HydrophobicContact CD1-CG 4.41Å; F161-K163 HydrophobicContact CE1-CG 4.36Å; F161-H166 HydrophobicContact CZ-CB 4.23Å; F161-Y168 HydrophobicContact CB-CD1 4.04Å; F161-Y168 HydrophobicContact CB-CE1 3.95Å; F161-Y168 AromaticContact CD2-CD1 3.89Å; F161-Y168 HydrophobicContact CD2-CD1 3.89Å; F161-Y168 AromaticContact CD2-CE1 3.6Å; F161-Y168 HydrophobicContact CD2-CE1 3.6Å; F161-Y168 HydrophobicContact CD2-CE2 4.24Å; F161-Y168 HydrophobicContact CD2-CG 4.34Å; F161-Y168 AromaticContact CD2-CZ 3.78Å; F161-Y168 HydrophobicContact CG-CD1 4.47Å; F161-Y168 HydrophobicContact CG-CE1 4.17Å |
| 162 | C | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.5 | 171.1 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | C137 S142 T145 D164 C165 H166 R167 | C137-C162 HydrophobicContact CB-CB 3.95Å; C137-C162 VanDerWaalsContact SG-CB 3.58Å; C137-C162 VanDerWaalsContact SG-SG 3.67Å; S142-C162 PolarHBondContact OG-SG 3.4Å; T145-C162 HydrophobicContact CG2-CB 4.2Å; C162-D164 PolarHBondContact SG-N 3.48Å; C162-D164 VanDerWaalsContact SG-N 3.44Å; C162-C165 PolarHBondContact SG-N 3.48Å; C162-C165 VanDerWaalsContact SG-N 3.4Å; C162-C165 PolarHBondContact SG-SG 3.1Å; C162-H166 WeakPolarHBondContact O-CA 3.28Å; C162-H166 PolarHBondContact O-N 3.18Å; C162-R167 PolarHBondContact N-O 3Å; C162-R167 PolarHBondContact O-N 3.2Å |
| 163 | K | 92.1 | Very high | 88.7 | Confident | 121 Ų | 121 | 66 Ų | 66 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -30.6 | 177.9 | -70 | 170 | 174.8 | -89.9 | 0 | 112.9 | N144 F161 H166 | N144-K163 HydrophobicContact CB-CB 4.06Å; N144-K163 HydrophobicContact CB-CD 4.34Å; N144-K163 PolarHBondContact O-N 3.4Å; F161-K163 HydrophobicContact CD1-CG 4.41Å; F161-K163 HydrophobicContact CE1-CG 4.36Å; K163-H166 PolarHBondContact O-CD2 3.28Å; K163-H166 PolarHBondContact O-NE2 3.24Å |
| 164 | D | 90.8 | Very high | 87.9 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -40.5 | -176.6 | -69.9 | -55.8 | 0 | 0 | 0 | 113.2 | S142 N144 C162 R184 | S142-D164 WeakPolarHBondContact CB-OD2 3.35Å; N144-D164 WeakPolarHBondContact CB-OD2 3.16Å; N144-D164 PolarHBondContact ND2-OD2 3.47Å; C162-D164 PolarHBondContact SG-N 3.48Å; C162-D164 VanDerWaalsContact SG-N 3.44Å; D164-R184 PolarHBondContact O-NH1 3.04Å; D164-R184 PolarHBondContact O-NH2 3.32Å |
| 165 | C | 90.2 | Very high | 87.4 | Confident | 13 Ų | 13 | 60 Ų | 60 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 4.3 | 178.6 | 70.1 | 0 | 0 | 0 | 0 | 114.6 | C140 C162 R167 | C140-C165 HydrophobicContact CB-CB 4.2Å; C140-C165 VanDerWaalsContact SG-SG 3.65Å; C162-C165 PolarHBondContact SG-N 3.48Å; C162-C165 VanDerWaalsContact SG-N 3.4Å; C162-C165 PolarHBondContact SG-SG 3.1Å; C165-R167 VanDerWaalsContact C-N 3.3Å; C165-R167 HydrophobicContact CB-CB 4.5Å; C165-R167 WeakPolarHBondContact O-CB 3.26Å; C165-R167 WeakPolarHBondContact O-CD 3.45Å; C165-R167 VanDerWaalsContact O-CG 3.23Å; C165-R167 WeakPolarHBondContact O-CG 3.49Å; C165-R167 PolarHBondContact O-N 3.12Å |
| 166 | H | 91 | Very high | 86.8 | Confident | 133 Ų | 133 | 66.3 Ų | 66.3 | 62% | 0.616 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 44.9 | 175.9 | -67.8 | -139.9 | 0 | 0 | 0 | 112.9 | F161 C162 K163 | F161-H166 HydrophobicContact CZ-CB 4.23Å; C162-H166 WeakPolarHBondContact O-CA 3.28Å; C162-H166 PolarHBondContact O-N 3.18Å; K163-H166 PolarHBondContact O-CD2 3.28Å; K163-H166 PolarHBondContact O-NE2 3.24Å |
| 167 | R | 90.4 | Very high | 85.3 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 30% | 0.302 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 131.7 | -162.9 | -95.7 | 173.7 | 177.5 | -96.1 | 14 | 110.7 | C162 C165 A182 | C162-R167 PolarHBondContact N-O 3Å; C162-R167 PolarHBondContact O-N 3.2Å; C165-R167 VanDerWaalsContact C-N 3.3Å; C165-R167 HydrophobicContact CB-CB 4.5Å; C165-R167 WeakPolarHBondContact O-CB 3.26Å; C165-R167 WeakPolarHBondContact O-CD 3.45Å; C165-R167 VanDerWaalsContact O-CG 3.23Å; C165-R167 WeakPolarHBondContact O-CG 3.49Å; C165-R167 PolarHBondContact O-N 3.12Å; R167-A182 PolarHBondContact NH2-O 3.46Å |
| 168 | Y | 91.8 | Very high | 83.8 | Confident | 116 Ų | 116 | 68 Ų | 68 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 141.5 | 174.8 | -58.5 | -81 | 0 | 0 | 0 | 111.8 | R139 C148 Y149 H160 F161 | R139-Y168 PolarHBondContact NH2-O 2.9Å; C148-Y168 HydrophobicContact CB-CE1 4.28Å; Y149-Y168 HydrophobicContact CE1-CE1 4.42Å; H160-Y168 CarbonylContact O-C 3.53Å; H160-Y168 VanDerWaalsContact O-CA 3.25Å; H160-Y168 WeakPolarHBondContact O-CA 3.39Å; F161-Y168 HydrophobicContact CB-CD1 4.04Å; F161-Y168 HydrophobicContact CB-CE1 3.95Å; F161-Y168 AromaticContact CD2-CD1 3.89Å; F161-Y168 HydrophobicContact CD2-CD1 3.89Å; F161-Y168 AromaticContact CD2-CE1 3.6Å; F161-Y168 HydrophobicContact CD2-CE1 3.6Å; F161-Y168 HydrophobicContact CD2-CE2 4.24Å; F161-Y168 HydrophobicContact CD2-CG 4.34Å; F161-Y168 AromaticContact CD2-CZ 3.78Å; F161-Y168 HydrophobicContact CG-CD1 4.47Å; F161-Y168 HydrophobicContact CG-CE1 4.17Å |
| 169 | W | 90.3 | Very high | 82.7 | Confident | 16 Ų | 16 | 71 Ų | 71 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 168.4 | 175.4 | 65 | -83.7 | 0 | 0 | 0 | 110.2 | L135 P138 T145 H160 A171 | L135-W169 HydrophobicContact CB-CH2 3.75Å; L135-W169 HydrophobicContact CB-CZ3 4.39Å; L135-W169 HydrophobicContact CD1-CH2 4.48Å; P138-W169 HydrophobicContact CG-CB 4.37Å; P138-W169 HydrophobicContact CG-CG 4.46Å; T145-W169 HydrophobicContact CG2-CZ2 3.67Å; H160-W169 HydrophobicContact CB-CD2 3.92Å; H160-W169 HydrophobicContact CB-CE3 4.47Å; H160-W169 HydrophobicContact CB-CG 4.39Å; H160-W169 HydrophobicContact CB-CH2 3.95Å; H160-W169 HydrophobicContact CB-CZ2 3.4Å; H160-W169 HydrophobicContact CB-CZ3 4.49Å; H160-W169 AromaticContact CG-CH2 3.76Å; H160-W169 AromaticContact CG-CZ2 3.67Å; H160-W169 PolarHBondContact N-O 2.79Å; H160-W169 PolarHBondContact O-N 3.14Å; W169-A171 HydrophobicContact CZ3-CB 3.97Å |
| 170 | T | 90.9 | Very high | 81.3 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 15% | 0.153 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.2 | -179.9 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | Q157 R159 | Q157-T170 HydrophobicContact CG-CG2 3.89Å; R159-T170 HydrophobicContact CG-CG2 3.89Å |
| 171 | A | 83.5 | Confident | 80 | Confident | 35 Ų | 35 | 75.9 Ų | 75.9 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 133.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L135 W169 G173 | L135-A171 HydrophobicContact CD1-CB 3.54Å; W169-A171 HydrophobicContact CZ3-CB 3.97Å; A171-G173 PolarHBondContact O-N 3.28Å |
| 172 | G | 79.1 | Confident | 78.6 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 96% | 0.959 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | -5.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 173 | G | 77.7 | Confident | 77.3 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 29% | 0.289 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -81.5 | 147.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A171 L175 | A171-G173 PolarHBondContact O-N 3.28Å; G173-L175 PolarHBondContact O-N 2.94Å |
| 174 | A | 68.6 | Low | 75.9 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 81% | 0.81 | 47% | 0.469 | S | S | * | . | trans | -55.4 | 115.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | R176 | A174-R176 PolarHBondContact O-N 2.9Å; A174-R176 VanDerWaalsContact O-N 3.16Å | ||
| 175 | L | 73.9 | Confident | 74.5 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 32% | 0.319 | 50% | 0.498 | S | S | . | . | trans | -63 | 120.7 | 172.1 | -174 | 63.2 | 0 | 0 | 0 | 106.5 | P138 G173 N177 V178 | P138-L175 HydrophobicContact CB-CD2 4.11Å; P138-L175 HydrophobicContact CG-CD1 4.15Å; P138-L175 HydrophobicContact CG-CD2 4.35Å; G173-L175 PolarHBondContact O-N 2.94Å; L175-N177 PolarHBondContact O-N 3.49Å; L175-V178 HydrophobicContact CD1-CB 4.27Å; L175-V178 HydrophobicContact CD1-CG2 3.83Å; L175-V178 HydrophobicContact CD2-CB 3.86Å; L175-V178 HydrophobicContact CD2-CG2 4.3Å; L175-V178 HydrophobicContact CG-CB 3.92Å; L175-V178 HydrophobicContact CG-CG2 3.81Å | ||
| 176 | R | 73.2 | Confident | 73.1 | Confident | 199 Ų | 199 | 96.9 Ų | 96.9 | 75% | 0.751 | 53% | 0.531 | S | S | * | . | trans | -59.7 | 88.1 | 176.3 | -64.8 | 180 | -173.4 | 140 | -3.6 | 109.3 | A174 V178 | A174-R176 PolarHBondContact O-N 2.9Å; A174-R176 VanDerWaalsContact O-N 3.16Å; R176-V178 WeakPolarHBondContact O-CG2 3.18Å; R176-V178 PolarHBondContact O-N 3.21Å | ||
| 177 | N | 57.7 | Low | 71.3 | Confident | 164 Ų | 164 | 97.7 Ų | 97.7 | 88% | 0.877 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 10.3 | 77.1 | -175.1 | -69.7 | -37.9 | 0 | 0 | 0 | 113.6 | L175 P179 | L175-N177 PolarHBondContact O-N 3.49Å; N177-P179 WeakPolarHBondContact O-CD 3.45Å |
| 178 | V | 56.3 | Low | 69.6 | Low | 30 Ų | 30 | 104 Ų | 104 | 18% | 0.182 | 56% | 0.563 | C | S | . | * | trans | -105.4 | 106.6 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | R139 L175 R176 V180 | R139-V178 HydrophobicContact CG-CG1 3.95Å; L175-V178 HydrophobicContact CD1-CB 4.27Å; L175-V178 HydrophobicContact CD1-CG2 3.83Å; L175-V178 HydrophobicContact CD2-CB 3.86Å; L175-V178 HydrophobicContact CD2-CG2 4.3Å; L175-V178 HydrophobicContact CG-CB 3.92Å; L175-V178 HydrophobicContact CG-CG2 3.81Å; R176-V178 WeakPolarHBondContact O-CG2 3.18Å; R176-V178 PolarHBondContact O-N 3.21Å; V178-V180 PolarHBondContact O-N 3.44Å | ||
| 179 | P | 67.5 | Low | 68 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 60% | 0.597 | 57% | 0.572 | S | S | * | * | trans | -61.4 | 136 | 168 | 23.2 | -30.3 | 0 | 0 | 0 | 110.2 | N177 G181 A182 | N177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-G181 PolarHBondContact O-N 3.43Å; P179-G181 VanDerWaalsContact O-N 3.17Å; P179-A182 HydrophobicContact CG-CB 4.03Å; P179-A182 PolarHBondContact O-N 2.88Å | ||
| 180 | V | 63.1 | Low | 66.4 | Low | 108 Ų | 108 | 111.2 Ų | 111.2 | 66% | 0.655 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 119.3 | 175.1 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | V178 | V178-V180 PolarHBondContact O-N 3.44Š|
| 181 | G | 65.5 | Low | 64.8 | Low | 68 Ų | 68 | 112 Ų | 112 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108 | -9.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | P179 G183 | P179-G181 PolarHBondContact O-N 3.43Å; P179-G181 VanDerWaalsContact O-N 3.17Å; G181-G183 PolarHBondContact O-N 3.27Å |
| 182 | A | 64.5 | Low | 63.6 | Low | 62 Ų | 62 | 115.3 Ų | 115.3 | 51% | 0.512 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | 23.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R167 P179 | R167-A182 PolarHBondContact NH2-O 3.46Å; P179-A182 HydrophobicContact CG-CB 4.03Å; P179-A182 PolarHBondContact O-N 2.88Å |
| 183 | G | 64.8 | Low | 62.3 | Low | 23 Ų | 23 | 117.5 Ų | 117.5 | 24% | 0.237 | 64% | 0.641 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -33.3 | -159.4 | 0 | 0 | 0 | 0 | 0 | 117 | G181 | G181-G183 PolarHBondContact O-N 3.27Š|
| 184 | R | 63.4 | Low | 61.1 | Low | 181 Ų | 181 | 119.5 Ų | 119.5 | 68% | 0.683 | 65% | 0.648 | S | S | * | * | trans | -99 | 102.3 | -175.5 | -76.2 | -166.6 | -174.1 | -74.9 | -0.8 | 110.2 | D164 K186 | D164-R184 PolarHBondContact O-NH1 3.04Å; D164-R184 PolarHBondContact O-NH2 3.32Å; R184-K186 PolarHBondContact O-N 3.23Å | ||
| 185 | R | 61.3 | Low | 60.5 | Low | 242 Ų | 242 | 119.8 Ų | 119.8 | 91% | 0.913 | 65% | 0.65 | S | S | * | * | trans | -67.3 | 90.6 | 148.7 | -65.3 | -172.9 | -169 | -169.7 | 3.7 | 105.6 | N187 | R185-N187 PolarHBondContact O-N 3.32Š| ||
| 186 | K | 61.6 | Low | 59.3 | Low | 180 Ų | 180 | 120.5 Ų | 120.5 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | trans | -52.7 | 123.3 | 159.7 | -175.8 | 96.6 | 172.8 | -171.1 | 0 | 104.1 | R184 R188 | R184-K186 PolarHBondContact O-N 3.23Å; K186-R188 PolarHBondContact O-N 2.76Å | ||
| 187 | N | 53.1 | Low | 58.5 | Low | 151 Ų | 151 | 113.9 Ų | 113.9 | 81% | 0.807 | 66% | 0.661 | S | S | * | * | trans | -52 | 102.5 | 164.9 | -65.8 | -28.4 | 0 | 0 | 0 | 104.8 | R185 P189 | R185-N187 PolarHBondContact O-N 3.32Å; N187-P189 WeakPolarHBondContact O-CD 3.36Å | ||
| 188 | R | 53.5 | Low | 58.6 | Low | 211 Ų | 211 | 112.6 Ų | 112.6 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | trans | -60.4 | 120 | 166.9 | -166.1 | 122.4 | 68 | -112.2 | 4.3 | 102.3 | K186 L190 | K186-R188 PolarHBondContact O-N 2.76Å; R188-L190 PolarHBondContact O-N 2.88Å | ||
| 189 | P | 59 | Low | 58.9 | Low | 98 Ų | 98 | 116.3 Ų | 116.3 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | trans | -49.8 | 133.9 | 160.7 | 24.1 | -30.8 | 0 | 0 | 0 | 105 | N187 G191 | N187-P189 WeakPolarHBondContact O-CD 3.36Å; P189-G191 VanDerWaalsContact C-N 3.34Å; P189-G191 PolarHBondContact O-N 3.22Å | ||
| 190 | L | 57.2 | Low | 58.8 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 98% | 0.979 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -47.1 | 108.2 | 168.9 | -66.8 | 160 | 0 | 0 | 0 | 106.2 | R188 | R188-L190 PolarHBondContact O-N 2.88Š|
| 191 | G | 56.4 | Low | 59.1 | Low | 41 Ų | 41 | 118.2 Ų | 118.2 | 42% | 0.423 | 70% | 0.695 | S | S | . | * | S | Bend | trans | 83.3 | 139.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | P189 V193 | P189-G191 VanDerWaalsContact C-N 3.34Å; P189-G191 PolarHBondContact O-N 3.22Å; G191-V193 PolarHBondContact O-N 3.32Å |
| 192 | P | 57.8 | Low | 59.2 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | trans | -64.3 | 116.5 | 150.3 | 30.1 | -28.2 | 0 | 0 | 0 | 106.9 | V194 | P192-V194 HydrophobicContact CB-CG1 4.11Å; P192-V194 HydrophobicContact CG-CG1 4.32Å; P192-V194 PolarHBondContact O-N 3.44Å | ||
| 193 | V | 51.3 | Low | 59.4 | Low | 139 Ų | 139 | 123.3 Ų | 123.3 | 84% | 0.842 | 71% | 0.708 | S | S | * | * | trans | -65.6 | 93.1 | 137.8 | 178.7 | 0 | 0 | 0 | 0 | 103.1 | G191 A195 | G191-V193 PolarHBondContact O-N 3.32Å; V193-A195 PolarHBondContact O-N 2.95Å | ||
| 194 | V | 54.1 | Low | 59.6 | Low | 71 Ų | 71 | 128.3 Ų | 128.3 | 43% | 0.43 | 73% | 0.734 | S | S | . | * | trans | -54.9 | 83.5 | 161.1 | -89.5 | 0 | 0 | 0 | 0 | 106.5 | P192 G196 A197 | P192-V194 HydrophobicContact CB-CG1 4.11Å; P192-V194 HydrophobicContact CG-CG1 4.32Å; P192-V194 PolarHBondContact O-N 3.44Å; V194-G196 PolarHBondContact O-N 2.85Å; V194-A197 HydrophobicContact CB-CB 4.38Å; V194-A197 HydrophobicContact CG1-CB 4.2Å; V194-A197 VanDerWaalsContact CG2-O 3.29Å; V194-A197 WeakPolarHBondContact CG2-O 3.39Å | ||
| 195 | A | 55.1 | Low | 59.8 | Low | 103 Ų | 103 | 124.6 Ų | 124.6 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 87.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | V193 | V193-A195 PolarHBondContact O-N 2.95Š|
| 196 | G | 49.5 | Very low | 59.9 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.1 | 54.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V194 | V194-G196 PolarHBondContact O-N 2.85Š|
| 197 | A | 55.7 | Low | 60.1 | Low | 60 Ų | 60 | 117.3 Ų | 117.3 | 50% | 0.496 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -171.9 | 121.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | V194 | V194-A197 HydrophobicContact CB-CB 4.38Å; V194-A197 HydrophobicContact CG1-CB 4.2Å; V194-A197 VanDerWaalsContact CG2-O 3.29Å; V194-A197 WeakPolarHBondContact CG2-O 3.39Å |
| 198 | V | 60.6 | Low | 60.7 | Low | 137 Ų | 137 | 118.4 Ų | 118.4 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | trans | -53.5 | 122.2 | -179 | -162.3 | 0 | 0 | 0 | 0 | 110 | V200 | V198-V200 PolarHBondContact O-N 3.23Š| ||
| 199 | P | 62.1 | Low | 61.4 | Low | 107 Ų | 107 | 116.8 Ų | 116.8 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | -77.2 | 113.1 | 174.3 | 29.7 | -29.1 | 0 | 0 | 0 | 108.6 | ||||
| 200 | V | 66.1 | Low | 61.4 | Low | 121 Ų | 121 | 120.9 Ų | 120.9 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -72.8 | 124.9 | 164.1 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | V198 V202 | V198-V200 PolarHBondContact O-N 3.23Å; V200-V202 PolarHBondContact O-N 3.4Å | ||
| 201 | P | 69 | Low | 62 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -75.3 | 109.1 | 176.8 | 29.2 | -30.4 | 0 | 0 | 0 | 109.1 | ||||
| 202 | V | 67 | Low | 62 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | trans | -95.2 | 119.4 | 166.3 | -165.3 | 0 | 0 | 0 | 0 | 107.4 | V200 V204 | V200-V202 PolarHBondContact O-N 3.4Å; V202-V204 PolarHBondContact O-N 3.34Å | ||
| 203 | P | 69.3 | Low | 62.2 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -74.5 | 114.1 | 176.2 | 27.9 | -29.9 | 0 | 0 | 0 | 109.5 | ||||
| 204 | V | 67.7 | Low | 62.5 | Low | 128 Ų | 128 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 124.8 | 168.4 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | V202 A206 | V202-V204 PolarHBondContact O-N 3.34Å; V204-A206 PolarHBondContact O-N 2.88Å |
| 205 | P | 68.1 | Low | 62.4 | Low | 103 Ų | 103 | 133.9 Ų | 133.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 127.8 | 179.3 | 27.7 | -31.4 | 0 | 0 | 0 | 110.2 | H207 | P205-H207 PolarHBondContact O-N 2.72Š|
| 206 | A | 63.1 | Low | 62.3 | Low | 80 Ų | 80 | 133.5 Ų | 133.5 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 117.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | V204 H208 | V204-A206 PolarHBondContact O-N 2.88Å; A206-H208 VanDerWaalsContact C-N 3.35Å; A206-H208 PolarHBondContact O-N 3.46Å |
| 207 | H | 67.1 | Low | 62.4 | Low | 188 Ų | 188 | 134.9 Ų | 134.9 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 96.7 | 163.3 | -73.7 | -73.1 | 0 | 0 | 0 | 108.1 | P205 H209 | P205-H207 PolarHBondContact O-N 2.72Å; H207-H209 PolarHBondContact O-N 3.2Å | ||
| 208 | H | 66.1 | Low | 62.1 | Low | 175 Ų | 175 | 136.5 Ų | 136.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -64.7 | 126.4 | 168.4 | -88 | -69.6 | 0 | 0 | 0 | 109.8 | A206 H210 | A206-H208 VanDerWaalsContact C-N 3.35Å; A206-H208 PolarHBondContact O-N 3.46Å; H208-H210 PolarHBondContact O-N 3.38Å | ||
| 209 | H | 66.9 | Low | 61.6 | Low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -59.3 | 123.6 | 159 | -91.7 | -58 | 0 | 0 | 0 | 109 | H207 H211 | H207-H209 PolarHBondContact O-N 3.2Å; H209-H211 PolarHBondContact O-N 3.25Å | ||
| 210 | H | 59.4 | Low | 61 | Low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -72 | 96.2 | 177.9 | -136.2 | -31.6 | 0 | 0 | 0 | 109.1 | H208 | H208-H210 PolarHBondContact O-N 3.38Š| ||
| 211 | H | 69.8 | Low | 60.3 | Low | 164 Ų | 164 | 132.8 Ų | 132.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -100.2 | 124.9 | 158.1 | -83.6 | -81.5 | 0 | 0 | 0 | 108.3 | H209 L213 | H209-H211 PolarHBondContact O-N 3.25Å; H211-L213 PolarHBondContact O-N 3.28Å | ||
| 212 | H | 55.8 | Low | 59.4 | Low | 186 Ų | 186 | 132 Ų | 132 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 114.9 | -177.9 | -149.2 | -81.2 | 0 | 0 | 0 | 109.2 | ||||
| 213 | L | 61.6 | Low | 58.7 | Low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -133.7 | 133.5 | 171.3 | -78.6 | 172.9 | 0 | 0 | 0 | 111.7 | H211 | H211-L213 PolarHBondContact O-N 3.28Š| ||
| 214 | H | 58.3 | Low | 58.2 | Low | 186 Ų | 186 | 130.2 Ų | 130.2 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -59.4 | 139.9 | 174.8 | -139.2 | -120 | 0 | 0 | 0 | 111.2 | ||||
| 215 | P | 53.1 | Low | 57.3 | Low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -99.9 | 143.8 | 179.4 | 36.1 | -28.9 | 0 | 0 | 0 | 112.1 | ||||
| 216 | A | 51.9 | Low | 56.9 | Low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -158 | 122.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 217 | A | 50.9 | Low | 56.8 | Low | 107 Ų | 107 | 134.4 Ų | 134.4 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | 61.9 | 144.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 218 | A | 50.8 | Low | 57.1 | Low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | cis | -174.2 | 171.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 219 | A | 49.1 | Very low | 56.4 | Low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 77.7 | 105.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 220 | A | 50.3 | Low | 56.3 | Low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | 72.3 | 133.4 | 74.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 221 | A | 50.6 | Low | 56.4 | Low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | cis | -163.8 | 164.1 | 15.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 222 | A | 51 | Low | 55.5 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | 60.6 | 144.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 223 | A | 52.6 | Low | 55.4 | Low | 96 Ų | 96 | 121.7 Ų | 121.7 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | cis | -170.2 | 148.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 224 | A | 58.1 | Low | 55.2 | Low | 104 Ų | 104 | 122 Ų | 122 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 154.9 | 100.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 225 | G | 49.4 | Very low | 55 | Low | 77 Ų | 77 | 121.2 Ų | 121.2 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 138.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 226 | F | 58.8 | Low | 55.1 | Low | 189 Ų | 189 | 121 Ų | 121 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -130.4 | 108.7 | 157 | -143.8 | -92.7 | 0 | 0 | 0 | 107.1 | L228 | F226-L228 HydrophobicContact CD1-CD1 4.49Å; F226-L228 HydrophobicContact CD1-CG 4.36Å; F226-L228 HydrophobicContact CE1-CD1 3.8Å; F226-L228 HydrophobicContact CE1-CG 4.06Å | ||
| 227 | V | 61.8 | Low | 55 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 114.9 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 228 | L | 72 | Confident | 55.1 | Low | 147 Ų | 147 | 122.2 Ų | 122.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -142.4 | 116.5 | 153 | -72.2 | -178.5 | 0 | 0 | 0 | 107.7 | F226 | F226-L228 HydrophobicContact CD1-CD1 4.49Å; F226-L228 HydrophobicContact CD1-CG 4.36Å; F226-L228 HydrophobicContact CE1-CD1 3.8Å; F226-L228 HydrophobicContact CE1-CG 4.06Å | ||
| 229 | G | 51.9 | Low | 55.6 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 154.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 230 | F | 64.6 | Low | 55.9 | Low | 208 Ų | 208 | 125.2 Ų | 125.2 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -117.6 | 120.3 | 162.8 | -106.6 | -90.5 | 0 | 0 | 0 | 108.3 | ||||
| 231 | P | 62.3 | Low | 56.3 | Low | 122 Ų | 122 | 126 Ų | 126 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -81.9 | 149.9 | 169.6 | 33.3 | -29.9 | 0 | 0 | 0 | 110.3 | ||||
| 232 | G | 50.7 | Low | 56.9 | Low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -75.3 | 162 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 233 | Q | 54.8 | Low | 57.1 | Low | 187 Ų | 187 | 127.3 Ų | 127.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -151.5 | 108.3 | 146.9 | -79.3 | -149.3 | 26.2 | 0 | 0 | 105.3 | ||||
| 234 | Q | 56.2 | Low | 57.8 | Low | 168 Ų | 168 | 128.4 Ų | 128.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | 57.5 | 95 | 80.1 | -65.5 | -166 | 0.2 | 0 | 0 | 115.1 | |||||
| 235 | H | 54.4 | Low | 57.9 | Low | 169 Ų | 169 | 127.9 Ų | 127.9 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | 65.5 | 164.4 | 142.6 | -69.5 | -84.7 | 0 | 0 | 0 | 119.4 | ||||
| 236 | P | 54.5 | Low | 58.6 | Low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -131 | 166.5 | -4.9 | 21.5 | 2.9 | 0 | 0 | 0 | 115.4 | ||||
| 237 | S | 49.9 | Very low | 58.5 | Low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -35.7 | 141.2 | 161.3 | -36.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 238 | S | 54.3 | Low | 58.1 | Low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -152.8 | 152.5 | 153.3 | -83 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 239 | P | 59.5 | Low | 57.2 | Low | 112 Ų | 112 | 126.8 Ų | 126.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -99.2 | 157 | -133.9 | 35.3 | -34.4 | 0 | 0 | 0 | 115.1 | ||||
| 240 | T | 55.4 | Low | 57.1 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -30.5 | 123.4 | 154.9 | 42.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 241 | S | 58.7 | Low | 56.9 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -112.1 | 123.8 | 160.2 | -113.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 242 | P | 64.6 | Low | 56.5 | Low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -81.4 | 137.8 | 176.1 | 30.9 | -30.7 | 0 | 0 | 0 | 111.8 | ||||
| 243 | S | 55.3 | Low | 57.3 | Low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -59.7 | 132.9 | 168.5 | -179.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 244 | P | 67 | Low | 57.9 | Low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -90.6 | 102.2 | 155.6 | 31.4 | -25.3 | 0 | 0 | 0 | 109.2 | ||||
| 245 | S | 59.7 | Low | 58.2 | Low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -58.1 | 128.5 | 163.7 | -43 | 0 | 0 | 0 | 0 | 109.2 | V247 | S245-V247 PolarHBondContact O-N 3.31Š| ||
| 246 | P | 64.2 | Low | 58.9 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 109.4 | 162.4 | 28.5 | -28.4 | 0 | 0 | 0 | 106.6 | Y248 | P246-Y248 PolarHBondContact O-N 3.08Š| ||
| 247 | V | 57.5 | Low | 59.2 | Low | 125 Ų | 125 | 130 Ų | 130 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -54 | 112.1 | 169.2 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | S245 A249 | S245-V247 PolarHBondContact O-N 3.31Å; V247-A249 HydrophobicContact CG1-CB 4.13Å; V247-A249 PolarHBondContact O-N 3.02Å | ||
| 248 | Y | 51.9 | Low | 59.8 | Low | 202 Ų | 202 | 136.7 Ų | 136.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 78 | 163.6 | -162.7 | -90.5 | 0 | 0 | 0 | 106.2 | P246 D250 | P246-Y248 PolarHBondContact O-N 3.08Å; Y248-D250 PolarHBondContact O-N 3.31Å | ||
| 249 | A | 53.5 | Low | 60.5 | Low | 74 Ų | 74 | 141 Ų | 141 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | trans | -77.9 | 104.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | V247 R251 | V247-A249 HydrophobicContact CG1-CB 4.13Å; V247-A249 PolarHBondContact O-N 3.02Å; A249-R251 PolarHBondContact O-N 2.9Å | ||
| 250 | D | 51.3 | Low | 60.3 | Low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -42.3 | 102.7 | 158.3 | -81.5 | -70.3 | 0 | 0 | 0 | 110.6 | Y248 | Y248-D250 PolarHBondContact O-N 3.31Š| ||
| 251 | R | 59.2 | Low | 60.5 | Low | 228 Ų | 228 | 149.5 Ų | 149.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -153.3 | 71 | 168.1 | -149.8 | 158.9 | 164.4 | -154.8 | -5.1 | 110.6 | A249 | A249-R251 PolarHBondContact O-N 2.9Š| ||
| 252 | W | 54.5 | Low | 60.6 | Low | 216 Ų | 216 | 151 Ų | 151 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -61.5 | 128.5 | 156.9 | -70.3 | 91.6 | 0 | 0 | 0 | 107.9 | V254 | W252-V254 PolarHBondContact O-N 3.22Š| ||
| 253 | P | 67.8 | Low | 60.4 | Low | 114 Ų | 114 | 152.8 Ų | 152.8 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 107.8 | 176.4 | -16.6 | 28.7 | 0 | 0 | 0 | 109 | C255 | P253-C255 PolarHBondContact O-N 3.32Š| ||
| 254 | V | 66.2 | Low | 60.7 | Low | 134 Ų | 134 | 155.8 Ų | 155.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -70.6 | 107.3 | 160.7 | -175.6 | 0 | 0 | 0 | 0 | 105.2 | W252 P256 | W252-V254 PolarHBondContact O-N 3.22Å; V254-P256 WeakPolarHBondContact O-CD 3.46Å | ||
| 255 | C | 63.3 | Low | 60.3 | Low | 114 Ų | 114 | 158.1 Ų | 158.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -56.1 | 124.1 | 171.3 | -68.8 | 0 | 0 | 0 | 0 | 109.1 | P253 | P253-C255 PolarHBondContact O-N 3.32Š| ||
| 256 | P | 68.4 | Low | 60.3 | Low | 110 Ų | 110 | 162.5 Ų | 162.5 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -80.5 | 146.5 | 171.1 | 33.1 | -29.6 | 0 | 0 | 0 | 110 | V254 | V254-P256 WeakPolarHBondContact O-CD 3.46Š| ||
| 257 | D | 61.8 | Low | 60 | Low | 127 Ų | 127 | 165.2 Ų | 165.2 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | trans | 60.4 | 100.4 | 154.8 | -91 | -81.8 | 0 | 0 | 0 | 119.3 | R259 | D257-R259 WeakPolarHBondContact OD1-CG 3.15Å; D257-R259 IonicContact OD1-NE 3.99Å | ||
| 258 | R | 62.1 | Low | 60.2 | Low | 249 Ų | 249 | 168.3 Ų | 168.3 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -106.3 | 105.8 | 132.9 | -102 | -165.8 | 175.2 | -150.1 | 1.2 | 108.2 | ||||
| 259 | R | 67.9 | Low | 60.9 | Low | 210 Ų | 210 | 165.5 Ų | 165.5 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -99.5 | 141.7 | 158.4 | -86.8 | -173.8 | 178.7 | -157 | 0.4 | 108.7 | D257 | D257-R259 WeakPolarHBondContact OD1-CG 3.15Å; D257-R259 IonicContact OD1-NE 3.99Å | ||
| 260 | F | 55.2 | Low | 61.6 | Low | 278 Ų | 278 | 173.8 Ų | 173.8 | 100% | 1.219 | 82% | 0.823 | S | S | * | * | trans | 77.8 | 0 | -174.9 | -73.8 | -86 | 0 | 0 | 0 | 116.6 |
Retrieved 260 of 260 residues in 224.5 ms
(Link to these results)