| 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 | 56.7 | Low | 61.9 | Low | 236 Ų | 236 | 162.1 Ų | 162.1 | 100% | 1.163 | 84% | 0.837 | S | S | * | * | 0 | 122.1 | 0 | -57.4 | -156.7 | -57.3 | 0 | 0 | 106.6 | |||||
| 2 | M | 60.3 | Low | 61.4 | Low | 190 Ų | 190 | 159.7 Ų | 159.7 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | trans | -106.3 | 118.3 | 176.9 | -63.2 | -59.2 | -175.3 | 0 | 0 | 107.8 | ||||
| 3 | S | 65.8 | Low | 61.2 | Low | 112 Ų | 112 | 154.6 Ų | 154.6 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -83 | 129.1 | 178.4 | 46.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | T | 72.2 | Confident | 60.8 | Low | 141 Ų | 141 | 155.2 Ų | 155.2 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -88.4 | 103.3 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | E | 63.6 | Low | 60.7 | Low | 183 Ų | 183 | 154.3 Ų | 154.3 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 118.9 | 166.8 | -68.9 | -170.2 | 137.7 | 0 | 0 | 109.1 | ||
| 6 | Q | 61.2 | Low | 60.4 | Low | 162 Ų | 162 | 159.4 Ų | 159.4 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 117.7 | -179.4 | -160.1 | -152.9 | 114.9 | 0 | 0 | 108.9 | ||
| 7 | M | 65.5 | Low | 60.2 | Low | 182 Ų | 182 | 159.2 Ų | 159.2 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 128.6 | 171.1 | -70.6 | -167.9 | 131.1 | 0 | 0 | 109.9 | ||
| 8 | Q | 62.3 | Low | 60.3 | Low | 163 Ų | 163 | 158.6 Ų | 158.6 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 135.6 | 176.5 | -69.8 | -77.3 | -41.8 | 0 | 0 | 110.6 | L10 | Q8-L10 PolarHBondContact O-N 3.04Š|
| 9 | P | 61.1 | Low | 60.4 | Low | 96 Ų | 96 | 160.5 Ų | 160.5 | 62% | 0.623 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.8 | 174.6 | -21.2 | 32.9 | 0 | 0 | 0 | 111.3 | E11 | P9-E11 PolarHBondContact O-N 3.1Å; P9-E11 VanDerWaalsContact O-N 3.11Å |
| 10 | L | 58.9 | Low | 60.5 | Low | 146 Ų | 146 | 160.3 Ų | 160.3 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -73.2 | 98.6 | 174.3 | -177.2 | 66.2 | 0 | 0 | 0 | 108.3 | Q8 L12 | Q8-L10 PolarHBondContact O-N 3.04Å; L10-L12 HydrophobicContact CD2-CD2 4.05Å; L10-L12 HydrophobicContact CG-CD2 4.16Å; L10-L12 PolarHBondContact O-N 3.2Å | ||
| 11 | E | 52.8 | Low | 60.7 | Low | 172 Ų | 172 | 157.5 Ų | 157.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -57.1 | 101.4 | 172 | -67.2 | -71.1 | 141.6 | 0 | 0 | 109.3 | P9 S13 | P9-E11 PolarHBondContact O-N 3.1Å; P9-E11 VanDerWaalsContact O-N 3.11Å; E11-S13 PolarHBondContact O-N 2.81Å; E11-S13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | L | 56.6 | Low | 61.1 | Low | 133 Ų | 133 | 151.2 Ų | 151.2 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | -80.1 | 87.4 | 177.6 | -66.6 | 179.2 | 0 | 0 | 0 | 108.9 | L10 E14 | L10-L12 HydrophobicContact CD2-CD2 4.05Å; L10-L12 HydrophobicContact CG-CD2 4.16Å; L10-L12 PolarHBondContact O-N 3.2Å; L12-E14 PolarHBondContact O-N 3.19Å; L12-E14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | S | 58.2 | Low | 61.2 | Low | 94 Ų | 94 | 151.8 Ų | 151.8 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -50.5 | 118.2 | 175.3 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | E11 D15 | E11-S13 PolarHBondContact O-N 2.81Å; E11-S13 VanDerWaalsContact O-N 3.11Å; S13-D15 PolarHBondContact O-N 2.6Å | ||
| 14 | E | 56.4 | Low | 60.9 | Low | 163 Ų | 163 | 150.5 Ų | 150.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -73 | 13.6 | 179.8 | -59.8 | 84.2 | 178.1 | 0 | 0 | 114.5 | L12 R16 | L12-E14 PolarHBondContact O-N 3.19Å; L12-E14 VanDerWaalsContact O-N 3.17Å; E14-R16 PolarHBondContact O-N 3.26Å | ||
| 15 | D | 58.8 | Low | 60.4 | Low | 141 Ų | 141 | 147.9 Ų | 147.9 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 16.6 | -171.6 | -167.4 | 44.1 | 0 | 0 | 0 | 115.2 | S13 | S13-D15 PolarHBondContact O-N 2.6Š|
| 16 | R | 55.6 | Low | 60.5 | Low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -1.7 | -177.4 | -70.1 | -163.1 | 163.1 | 168.6 | -1.4 | 115.4 | E14 | E14-R16 PolarHBondContact O-N 3.26Š|
| 17 | L | 58 | Low | 60.7 | Low | 156 Ų | 156 | 142.4 Ų | 142.4 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -16.6 | -178.6 | -85.6 | 157.7 | 0 | 0 | 0 | 114.4 | ||
| 18 | D | 60.9 | Low | 60.9 | Low | 147 Ų | 147 | 138.7 Ų | 138.7 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 0.2 | -167.1 | -141.4 | 25 | 0 | 0 | 0 | 115.2 | L20 | D18-L20 PolarHBondContact O-N 3.49Š|
| 19 | K | 61.7 | Low | 61.4 | Low | 196 Ų | 196 | 136.5 Ų | 136.5 | 85% | 0.852 | 70% | 0.7 | S | S | * | * | trans | -94.8 | 76.5 | 169.1 | -103.9 | 69.9 | 171.7 | -174.3 | 0 | 109.4 | D21 | K19-D21 PolarHBondContact O-N 3.21Å; K19-D21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | L | 62.6 | Low | 62 | Low | 156 Ų | 156 | 135.6 Ų | 135.6 | 82% | 0.817 | 69% | 0.69 | S | S | * | * | trans | -63.9 | 113.7 | 160.6 | -66.6 | 179 | 0 | 0 | 0 | 107.8 | D18 P22 | D18-L20 PolarHBondContact O-N 3.49Å; L20-P22 WeakPolarHBondContact O-CD 3.34Å | ||
| 21 | D | 66.1 | Low | 62.6 | Low | 102 Ų | 102 | 131.1 Ų | 131.1 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | trans | -60.1 | 118.8 | -179.9 | -178.1 | 1.9 | 0 | 0 | 0 | 109.9 | K19 R23 C24 | K19-D21 PolarHBondContact O-N 3.21Å; K19-D21 VanDerWaalsContact O-N 3.17Å; D21-R23 PolarHBondContact O-N 3.45Å; D21-R23 WeakPolarHBondContact OD1-CB 3.14Å; D21-R23 WeakPolarHBondContact OD1-CG 3.34Å; D21-R23 PolarHBondContact OD1-N 3.26Å; D21-R23 VanDerWaalsContact OD1-N 3.09Å; D21-C24 PolarHBondContact O-N 2.93Å | ||
| 22 | P | 64.7 | Low | 63.6 | Low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -55.7 | -22.1 | 179.2 | -24.2 | 32.7 | 0 | 0 | 0 | 113.4 | L20 C24 S25 | L20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-C24 PolarHBondContact O-N 3.16Å; P22-S25 PolarHBondContact O-N 3.14Å; P22-S25 PolarHBondContact O-OG 2.69Å |
| 23 | R | 61.1 | Low | 64.6 | Low | 202 Ų | 202 | 126.1 Ų | 126.1 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -62.5 | -22.8 | 177.9 | -60.7 | -61.7 | -160 | 171.3 | 7 | 113.6 | D21 S25 | D21-R23 PolarHBondContact O-N 3.45Å; D21-R23 WeakPolarHBondContact OD1-CB 3.14Å; D21-R23 WeakPolarHBondContact OD1-CG 3.34Å; D21-R23 PolarHBondContact OD1-N 3.26Å; D21-R23 VanDerWaalsContact OD1-N 3.09Å; R23-S25 VanDerWaalsContact C-N 3.31Å; R23-S25 PolarHBondContact O-N 3.13Å |
| 24 | C | 61.4 | Low | 65.3 | Low | 85 Ų | 85 | 128.1 Ų | 128.1 | 57% | 0.574 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -66.8 | -33.3 | -179.4 | -124.5 | 0 | 0 | 0 | 0 | 112.4 | D21 P22 H26 L27 | D21-C24 PolarHBondContact O-N 2.93Å; P22-C24 PolarHBondContact O-N 3.16Å; C24-H26 PolarHBondContact O-N 2.81Å; C24-L27 PolarHBondContact O-N 3.16Å |
| 25 | S | 61.6 | Low | 66.1 | Low | 86 Ų | 86 | 126.2 Ų | 126.2 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.2 | -26.3 | -177.7 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | P22 R23 | P22-S25 PolarHBondContact O-N 3.14Å; P22-S25 PolarHBondContact O-OG 2.69Å; R23-S25 VanDerWaalsContact C-N 3.31Å; R23-S25 PolarHBondContact O-N 3.13Å |
| 26 | H | 64.8 | Low | 66.9 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 55% | 0.546 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -80.6 | -21.5 | -178.6 | -166.6 | 50.5 | 0 | 0 | 0 | 113.2 | C24 | C24-H26 PolarHBondContact O-N 2.81Å |
| 27 | L | 65.5 | Low | 67.7 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 58% | 0.581 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.6 | -32.6 | -179.8 | -68.6 | -179.9 | 0 | 0 | 0 | 112.2 | C24 L30 S31 | C24-L27 PolarHBondContact O-N 3.16Å; L27-L30 PolarHBondContact O-N 3.14Å; L27-S31 PolarHBondContact O-N 3.19Å |
| 28 | D | 69.8 | Low | 68.1 | Low | 105 Ų | 105 | 118.3 Ų | 118.3 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63 | -45.3 | 179.6 | -67 | -35.2 | 0 | 0 | 0 | 111 | L30 S31 D32 | D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 2.97Å; D28-S31 WeakPolarHBondContact O-CB 3.45Å; D28-S31 PolarHBondContact O-N 3.06Å; D28-S31 VanDerWaalsContact O-N 3.1Å; D28-S31 PolarHBondContact O-OG 3.27Å; D28-D32 PolarHBondContact O-N 3.12Å |
| 29 | D | 73.3 | Confident | 68.5 | Low | 117 Ų | 117 | 116.7 Ų | 116.7 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -58.6 | -39.8 | 177.4 | -100.7 | 2.9 | 0 | 0 | 0 | 113 | Q33 | D29-Q33 PolarHBondContact O-N 3.48Å |
| 30 | L | 72.6 | Confident | 68.9 | Low | 77 Ų | 77 | 113.6 Ų | 113.6 | 40% | 0.403 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.7 | -37.6 | 177.8 | -65.2 | 177.7 | 0 | 0 | 0 | 111.3 | L27 D28 D32 Q33 F34 | L27-L30 PolarHBondContact O-N 3.14Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 2.97Å; L30-D32 VanDerWaalsContact C-N 3.35Å; L30-D32 PolarHBondContact O-N 2.95Å; L30-Q33 WeakPolarHBondContact O-CB 3.46Å; L30-Q33 PolarHBondContact O-N 3.01Å; L30-F34 HydrophobicContact CB-CE2 4.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.14Å; L30-F34 PolarHBondContact O-N 3.28Å |
| 31 | S | 71.5 | Confident | 69.1 | Low | 52 Ų | 52 | 113.4 Ų | 113.4 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.7 | -41.6 | -179.3 | 79.8 | 0 | 0 | 0 | 0 | 111.8 | L27 D28 F34 I35 | L27-S31 PolarHBondContact O-N 3.19Å; D28-S31 WeakPolarHBondContact O-CB 3.45Å; D28-S31 PolarHBondContact O-N 3.06Å; D28-S31 VanDerWaalsContact O-N 3.1Å; D28-S31 PolarHBondContact O-OG 3.27Å; S31-F34 PolarHBondContact O-N 3.33Å; S31-I35 WeakPolarHBondContact O-CD1 3.35Å; S31-I35 VanDerWaalsContact O-CG1 3.32Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; S31-I35 PolarHBondContact O-N 3.38Å |
| 32 | D | 74.7 | Confident | 69.2 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68 | -36 | 177.3 | -76.4 | -25.4 | 0 | 0 | 0 | 112 | D28 L30 I35 K36 | D28-D32 PolarHBondContact O-N 3.12Å; L30-D32 VanDerWaalsContact C-N 3.35Å; L30-D32 PolarHBondContact O-N 2.95Å; D32-I35 PolarHBondContact O-N 3.47Å; D32-K36 PolarHBondContact O-N 3.33Å |
| 33 | Q | 76.8 | Confident | 69.4 | Low | 100 Ų | 100 | 121.1 Ų | 121.1 | 47% | 0.467 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.7 | -47.8 | 174.6 | -176.6 | 64.6 | 56.5 | 0 | 0 | 111.4 | D29 L30 I35 K36 D37 | D29-Q33 PolarHBondContact O-N 3.48Å; L30-Q33 WeakPolarHBondContact O-CB 3.46Å; L30-Q33 PolarHBondContact O-N 3.01Å; Q33-I35 VanDerWaalsContact C-N 3.33Å; Q33-I35 PolarHBondContact O-N 3.27Å; Q33-K36 WeakPolarHBondContact O-CB 3.32Å; Q33-K36 PolarHBondContact O-N 2.95Å; Q33-K36 VanDerWaalsContact O-N 3.17Å; Q33-D37 PolarHBondContact NE2-OD1 2.8Å; Q33-D37 PolarHBondContact NE2-OD2 2.99Å; Q33-D37 VanDerWaalsContact NE2-OD2 3.08Å; Q33-D37 VanDerWaalsContact O-CG 3.31Å; Q33-D37 PolarHBondContact O-N 2.97Å |
| 34 | F | 73.8 | Confident | 69.7 | Low | 137 Ų | 137 | 117.4 Ų | 117.4 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.3 | -39 | 178.4 | -68.3 | -63.6 | 0 | 0 | 0 | 112.6 | L30 S31 K36 D37 C38 | L30-F34 HydrophobicContact CB-CE2 4.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.14Å; L30-F34 PolarHBondContact O-N 3.28Å; S31-F34 PolarHBondContact O-N 3.33Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 3.04Å; F34-D37 PolarHBondContact O-N 3.17Å; F34-C38 PolarHBondContact O-N 3.01Å; F34-C38 PolarHBondContact O-SG 3.21Å |
| 35 | I | 73.7 | Confident | 69.9 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.9 | -39.5 | 177 | -65.5 | 163.7 | 0 | 0 | 0 | 110 | S31 D32 Q33 C38 | S31-I35 WeakPolarHBondContact O-CD1 3.35Å; S31-I35 VanDerWaalsContact O-CG1 3.32Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; S31-I35 PolarHBondContact O-N 3.38Å; D32-I35 PolarHBondContact O-N 3.47Å; Q33-I35 VanDerWaalsContact C-N 3.33Å; Q33-I35 PolarHBondContact O-N 3.27Å; I35-C38 PolarHBondContact O-N 3.13Å |
| 36 | K | 74.2 | Confident | 70 | Confident | 173 Ų | 173 | 130.4 Ų | 130.4 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.8 | -39.5 | 176.4 | -118.9 | -173.3 | 179.7 | -168.4 | 0 | 113 | D32 Q33 F34 C38 | D32-K36 PolarHBondContact O-N 3.33Å; Q33-K36 WeakPolarHBondContact O-CB 3.32Å; Q33-K36 PolarHBondContact O-N 2.95Å; Q33-K36 VanDerWaalsContact O-N 3.17Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 3.04Å; K36-C38 PolarHBondContact O-N 3.32Å |
| 37 | D | 72.6 | Confident | 69.7 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.2 | -13.7 | -177.5 | -65.1 | -27.1 | 0 | 0 | 0 | 112.8 | Q33 F34 D39 | Q33-D37 PolarHBondContact NE2-OD1 2.8Å; Q33-D37 PolarHBondContact NE2-OD2 2.99Å; Q33-D37 VanDerWaalsContact NE2-OD2 3.08Å; Q33-D37 VanDerWaalsContact O-CG 3.31Å; Q33-D37 PolarHBondContact O-N 2.97Å; F34-D37 PolarHBondContact O-N 3.17Å; D37-D39 PolarHBondContact O-N 3.44Å |
| 38 | C | 67.4 | Low | 69.4 | Low | 86 Ų | 86 | 131.6 Ų | 131.6 | 58% | 0.581 | 65% | 0.652 | S | S | * | * | trans | -75.8 | 31.9 | 177.3 | -70.9 | 0 | 0 | 0 | 0 | 114.8 | F34 I35 K36 L40 | F34-C38 PolarHBondContact O-N 3.01Å; F34-C38 PolarHBondContact O-SG 3.21Å; I35-C38 PolarHBondContact O-N 3.13Å; K36-C38 PolarHBondContact O-N 3.32Å; C38-L40 PolarHBondContact O-N 3.06Å | ||
| 39 | D | 69.1 | Low | 68.4 | Low | 113 Ų | 113 | 133.3 Ų | 133.3 | 60% | 0.604 | 66% | 0.662 | S | S | * | * | trans | -70.5 | 65.2 | 167.7 | -172.4 | 36.2 | 0 | 0 | 0 | 110.2 | D37 K41 | D37-D39 PolarHBondContact O-N 3.44Å; D39-K41 VanDerWaalsContact C-N 3.34Å; D39-K41 PolarHBondContact O-N 3.45Å; D39-K41 IonicContact OD2-NZ 3.19Å; D39-K41 PolarHBondContact OD2-NZ 2.79Å | ||
| 40 | L | 68.8 | Low | 67.3 | Low | 131 Ų | 131 | 133.4 Ų | 133.4 | 69% | 0.686 | 67% | 0.666 | S | S | * | * | trans | -61.2 | 97.9 | 172.2 | -82.5 | 160.8 | 0 | 0 | 0 | 107.3 | C38 K42 | C38-L40 PolarHBondContact O-N 3.06Å; L40-K42 PolarHBondContact O-N 3.31Å | ||
| 41 | K | 67.6 | Low | 66.2 | Low | 152 Ų | 152 | 137.4 Ų | 137.4 | 66% | 0.661 | 68% | 0.683 | S | S | * | * | trans | -41.6 | 107.3 | 169.3 | -65.4 | -58.9 | 178.2 | -147.1 | 0 | 108.5 | D39 K43 | D39-K41 VanDerWaalsContact C-N 3.34Å; D39-K41 PolarHBondContact O-N 3.45Å; D39-K41 IonicContact OD2-NZ 3.19Å; D39-K41 PolarHBondContact OD2-NZ 2.79Å; K41-K43 PolarHBondContact O-N 3.06Å | ||
| 42 | K | 68.7 | Low | 65.1 | Low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | trans | -66.2 | 82.2 | 177.2 | -57.2 | -66.2 | -176.5 | -178.7 | 0 | 107.6 | L40 P44 | L40-K42 PolarHBondContact O-N 3.31Å; K42-P44 VanDerWaalsContact O-CD 3.29Å; K42-P44 WeakPolarHBondContact O-CD 2.85Å | ||
| 43 | K | 69.3 | Low | 63.8 | Low | 178 Ų | 178 | 140.2 Ų | 140.2 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | trans | -71.5 | 119 | 163.6 | -66.5 | -61.7 | -178.1 | -179.2 | 0 | 105.7 | K41 R45 | K41-K43 PolarHBondContact O-N 3.06Å; K43-R45 PolarHBondContact O-N 3.37Å | ||
| 44 | P | 65.6 | Low | 62.6 | Low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | trans | -59.4 | 106 | 173.3 | 22.8 | -30.5 | 0 | 0 | 0 | 106.6 | K42 K46 | K42-P44 VanDerWaalsContact O-CD 3.29Å; K42-P44 WeakPolarHBondContact O-CD 2.85Å; P44-K46 VanDerWaalsContact C-N 3.32Å; P44-K46 PolarHBondContact O-N 2.98Å | ||
| 45 | R | 67.1 | Low | 61.4 | Low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.917 | 73% | 0.726 | S | S | * | * | trans | -65.8 | 101.4 | 173 | -170.7 | 178.4 | 179.9 | 111.8 | -2.8 | 104.7 | K43 G47 | K43-R45 PolarHBondContact O-N 3.37Å; R45-G47 PolarHBondContact O-N 3.2Å | ||
| 46 | K | 63.9 | Low | 60.4 | Low | 202 Ų | 202 | 141.3 Ų | 141.3 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | trans | -64.3 | 78 | 172.7 | -166.8 | 89 | 171.5 | -174.8 | 0 | 107 | P44 K48 | P44-K46 VanDerWaalsContact C-N 3.32Å; P44-K46 PolarHBondContact O-N 2.98Å; K46-K48 PolarHBondContact O-N 3.41Å | ||
| 47 | G | 58.5 | Low | 59.4 | Low | 59 Ų | 59 | 139.3 Ų | 139.3 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | -66.2 | 101.8 | 168 | 0 | 0 | 0 | 0 | 0 | 106.3 | R45 N49 | R45-G47 PolarHBondContact O-N 3.2Å; G47-N49 VanDerWaalsContact C-N 3.29Å; G47-N49 PolarHBondContact O-N 3.46Å | ||
| 48 | K | 57.9 | Low | 58.5 | Low | 194 Ų | 194 | 139.4 Ų | 139.4 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -52.6 | 97.5 | 165.8 | 26.8 | 176.4 | 175.4 | 177.1 | 0 | 107.9 | K46 V50 | K46-K48 PolarHBondContact O-N 3.41Å; K48-V50 VanDerWaalsContact C-N 3.25Å; K48-V50 PolarHBondContact O-N 2.89Å | ||
| 49 | N | 49.5 | Very low | 57.9 | Low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -75.1 | 76.8 | 174.6 | -174.1 | -11.5 | 0 | 0 | 0 | 108 | G47 | G47-N49 VanDerWaalsContact C-N 3.29Å; G47-N49 PolarHBondContact O-N 3.46Å | ||
| 50 | V | 51.2 | Low | 57.5 | Low | 119 Ų | 119 | 143.6 Ų | 143.6 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -147.8 | 74.2 | 174.8 | -170.4 | 0 | 0 | 0 | 0 | 108 | K48 | K48-V50 VanDerWaalsContact C-N 3.25Å; K48-V50 PolarHBondContact O-N 2.89Å | ||
| 51 | Q | 48.6 | Very low | 57.4 | Low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 164.6 | 70.4 | 151 | -89.2 | 170.8 | 45.7 | 0 | 0 | 107.4 | T53 | Q51-T53 PolarHBondContact O-N 2.73Š| ||
| 52 | A | 48.6 | Very low | 58 | Low | 89 Ų | 89 | 145.5 Ų | 145.5 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -76 | 22 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 53 | T | 47.4 | Very low | 58.6 | Low | 122 Ų | 122 | 142.7 Ų | 142.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -102 | 2 | -168.2 | 43.2 | 0 | 0 | 0 | 0 | 115.7 | Q51 | Q51-T53 PolarHBondContact O-N 2.73Š|
| 54 | L | 51.3 | Low | 59.2 | Low | 132 Ų | 132 | 140.7 Ų | 140.7 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -152.4 | 53.6 | 173.3 | -145.6 | 157.6 | 0 | 0 | 0 | 112.5 | ||
| 55 | N | 48.3 | Very low | 60.2 | Low | 129 Ų | 129 | 143 Ų | 143 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | trans | -120.9 | 52.3 | 164.8 | -94 | -67.3 | 0 | 0 | 0 | 109.5 | E57 | N55-E57 PolarHBondContact O-N 2.84Š| ||
| 56 | V | 53.1 | Low | 61.2 | Low | 121 Ų | 121 | 141.7 Ų | 141.7 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 17.7 | 164.3 | -170 | 0 | 0 | 0 | 0 | 110.6 | ||
| 57 | E | 52.5 | Low | 62.4 | Low | 131 Ų | 131 | 137.1 Ų | 137.1 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 29.7 | 167.6 | -152.1 | 77 | -156.5 | 0 | 0 | 111.1 | N55 K61 | N55-E57 PolarHBondContact O-N 2.84Å; E57-K61 WeakPolarHBondContact OE1-CE 3.29Å; E57-K61 IonicContact OE1-NZ 2.91Å; E57-K61 PolarHBondContact OE1-NZ 3.09Å |
| 58 | S | 54.6 | Low | 63.7 | Low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -85.5 | 9.8 | 153.8 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 59 | D | 55.6 | Low | 64.9 | Low | 103 Ų | 103 | 133.2 Ų | 133.2 | 55% | 0.551 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -59 | 143.9 | 177.6 | -150.3 | 2.4 | 0 | 0 | 0 | 110 | K61 | D59-K61 PolarHBondContact O-N 3.05Š|
| 60 | Q | 60.6 | Low | 66.5 | Low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | trans | -67.6 | 58.9 | -163.8 | -55.9 | 179.3 | 10.9 | 0 | 0 | 113.4 | K62 | Q60-K62 PolarHBondContact O-N 2.86Å; Q60-K62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | K | 65.6 | Low | 68 | Low | 140 Ų | 140 | 131.6 Ų | 131.6 | 61% | 0.609 | 69% | 0.694 | S | S | * | * | trans | -64.4 | 122.3 | -179.2 | -62 | -69.4 | 167.6 | 149.5 | 0 | 107.3 | E57 D59 | E57-K61 WeakPolarHBondContact OE1-CE 3.29Å; E57-K61 IonicContact OE1-NZ 2.91Å; E57-K61 PolarHBondContact OE1-NZ 3.09Å; D59-K61 PolarHBondContact O-N 3.05Å | ||
| 62 | K | 80.1 | Confident | 69.7 | Low | 183 Ų | 183 | 131.3 Ų | 131.3 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | trans | -42.4 | 147.4 | 168.2 | -65.1 | 179.9 | 179.4 | 179.4 | 0 | 109.5 | Q60 R64 | Q60-K62 PolarHBondContact O-N 2.86Å; Q60-K62 VanDerWaalsContact O-N 3.16Å; K62-R64 PolarHBondContact O-N 3.38Å | ||
| 63 | P | 82.3 | Confident | 71.3 | Confident | 130 Ų | 130 | 133.5 Ų | 133.5 | 84% | 0.844 | 69% | 0.69 | S | S | * | * | trans | -42.2 | 115.8 | 175.8 | -30 | 34.9 | 0 | 0 | 0 | 110.4 | ||||
| 64 | R | 80.2 | Confident | 73 | Confident | 136 Ų | 136 | 131.7 Ų | 131.7 | 51% | 0.513 | 68% | 0.68 | S | S | . | * | trans | -73.1 | 133.4 | -178.8 | 178.6 | 162.5 | 142.3 | -147.4 | -24.1 | 108.4 | K62 T68 P69 | K62-R64 PolarHBondContact O-N 3.38Å; R64-T68 HydrophobicContact CG-CG2 4.14Å; R64-T68 PolarHBondContact NE-O 3.43Å; R64-T68 PolarHBondContact NH2-O 3.33Å; R64-P69 VanDerWaalsContact CZ-C 3.47Å; R64-P69 PolarHBondContact NH2-O 2.64Å | ||
| 65 | R | 87.7 | Confident | 74.3 | Confident | 173 Ų | 173 | 130.4 Ų | 130.4 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | trans | -63.9 | 145.8 | 174.5 | -58.2 | 169.9 | 55.1 | 130.9 | -3.4 | 109.6 | D67 T68 | R65-D67 WeakPolarHBondContact CB-OD1 3.32Å; R65-D67 IonicContact CZ-OD2 2.82Å; R65-D67 IonicContact NE-OD1 2.84Å; R65-D67 PolarHBondContact NE-OD1 2.93Å; R65-D67 IonicContact NE-OD2 2.73Å; R65-D67 PolarHBondContact NE-OD2 2.98Å; R65-D67 IonicContact NH2-OD2 3.51Å; R65-D67 PolarHBondContact NH2-OD2 3.04Å; R65-D67 PolarHBondContact O-N 2.73Å; R65-T68 PolarHBondContact O-N 3.16Å; R65-T68 VanDerWaalsContact O-N 3.08Å | ||
| 66 | K | 88.6 | Confident | 75.6 | Confident | 216 Ų | 216 | 131 Ų | 131 | 94% | 0.939 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -21.7 | -175.6 | -59.5 | -62.2 | -177.8 | 178.2 | 0 | 113.5 | ||
| 67 | D | 89.2 | Confident | 76.8 | Confident | 106 Ų | 106 | 129.8 Ų | 129.8 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -11.6 | 175.9 | 58.1 | -13.6 | 0 | 0 | 0 | 113.5 | R65 P69 | R65-D67 WeakPolarHBondContact CB-OD1 3.32Å; R65-D67 IonicContact CZ-OD2 2.82Å; R65-D67 IonicContact NE-OD1 2.84Å; R65-D67 PolarHBondContact NE-OD1 2.93Å; R65-D67 IonicContact NE-OD2 2.73Å; R65-D67 PolarHBondContact NE-OD2 2.98Å; R65-D67 IonicContact NH2-OD2 3.51Å; R65-D67 PolarHBondContact NH2-OD2 3.04Å; R65-D67 PolarHBondContact O-N 2.73Å; D67-P69 VanDerWaalsContact O-CD 3.32Å; D67-P69 WeakPolarHBondContact O-CD 2.85Å |
| 68 | T | 84.2 | Confident | 77.9 | Confident | 63 Ų | 63 | 128.5 Ų | 128.5 | 39% | 0.387 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -82.5 | 117.1 | 176.5 | -50.9 | 0 | 0 | 0 | 0 | 108.4 | R64 R65 | R64-T68 HydrophobicContact CG-CG2 4.14Å; R64-T68 PolarHBondContact NE-O 3.43Å; R64-T68 PolarHBondContact NH2-O 3.33Å; R65-T68 PolarHBondContact O-N 3.16Å; R65-T68 VanDerWaalsContact O-N 3.08Å |
| 69 | P | 84.8 | Confident | 78.8 | Confident | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -70 | 157.1 | 178.7 | 29.2 | -35.2 | 0 | 0 | 0 | 111.8 | R64 D67 | R64-P69 VanDerWaalsContact CZ-C 3.47Å; R64-P69 PolarHBondContact NH2-O 2.64Å; D67-P69 VanDerWaalsContact O-CD 3.32Å; D67-P69 WeakPolarHBondContact O-CD 2.85Å |
| 70 | A | 83.1 | Confident | 79.5 | Confident | 74 Ų | 74 | 126.4 Ų | 126.4 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 133.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | H72 | A70-H72 PolarHBondContact O-N 2.7Å; A70-H72 VanDerWaalsContact O-N 3.09Å |
| 71 | L | 82.8 | Confident | 80 | Confident | 153 Ų | 153 | 121.6 Ų | 121.6 | 80% | 0.801 | 65% | 0.647 | S | S | * | * | trans | -67.6 | 111.5 | 171.7 | -171.6 | 64.7 | 0 | 0 | 0 | 107.6 | I73 | L71-I73 PolarHBondContact O-N 3.41Š| ||
| 72 | H | 84 | Confident | 80.1 | Confident | 153 Ų | 153 | 118.3 Ų | 118.3 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | trans | -82 | 109.7 | 176.9 | 177.6 | -94.9 | 0 | 0 | 0 | 109 | A70 | A70-H72 PolarHBondContact O-N 2.7Å; A70-H72 VanDerWaalsContact O-N 3.09Å | ||
| 73 | I | 82.5 | Confident | 79.3 | Confident | 136 Ų | 136 | 117.2 Ų | 117.2 | 70% | 0.697 | 64% | 0.639 | S | S | * | * | trans | -95.7 | 113.9 | 171.8 | -57.5 | 174.2 | 0 | 0 | 0 | 106.8 | L71 | L71-I73 PolarHBondContact O-N 3.41Š| ||
| 74 | P | 81.8 | Confident | 78.4 | Confident | 83 Ų | 83 | 117.4 Ų | 117.4 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 154.8 | 176.9 | 27.8 | -34 | 0 | 0 | 0 | 110.7 | F76 | P74-F76 PolarHBondContact O-N 3.09Š|
| 75 | P | 78.5 | Confident | 77.8 | Confident | 106 Ų | 106 | 114.6 Ų | 114.6 | 69% | 0.688 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.8 | 177.1 | 25.7 | -34.2 | 0 | 0 | 0 | 110.9 | I77 | P75-I77 PolarHBondContact O-N 2.94Š|
| 76 | F | 76.6 | Confident | 76.8 | Confident | 142 Ų | 142 | 111 Ų | 111 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.3 | 171.6 | 179.7 | -99.3 | 0 | 0 | 0 | 109.6 | P74 P78 F81 | P74-F76 PolarHBondContact O-N 3.09Å; F76-P78 HydrophobicContact CD1-CG 4.19Å; F76-P78 HydrophobicContact CE1-CB 4.27Å; F76-P78 HydrophobicContact CE1-CG 3.95Å; F76-F81 HydrophobicContact CD2-CD2 4.14Å; F76-F81 AromaticContact CD2-CE2 3.85Å; F76-F81 HydrophobicContact CD2-CE2 3.85Å; F76-F81 AromaticContact CE2-CD2 3.84Å; F76-F81 HydrophobicContact CE2-CD2 3.84Å; F76-F81 HydrophobicContact CE2-CE2 4.05Å |
| 77 | I | 77.3 | Confident | 75.6 | Confident | 95 Ų | 95 | 108.4 Ų | 108.4 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | trans | -104.2 | 115.1 | 172 | -52.6 | 174.3 | 0 | 0 | 0 | 107.5 | P75 G79 V80 | P75-I77 PolarHBondContact O-N 2.94Å; I77-G79 PolarHBondContact O-N 3.02Å; I77-V80 HydrophobicContact CB-CG1 3.9Å; I77-V80 HydrophobicContact CB-CG2 3.81Å; I77-V80 HydrophobicContact CG2-CG1 3.5Å; I77-V80 VanDerWaalsContact CG2-CG1 3.5Å; I77-V80 HydrophobicContact CG2-CG2 4.36Å; I77-V80 WeakPolarHBondContact O-CG2 3.01Å | ||
| 78 | P | 76.8 | Confident | 74.4 | Confident | 103 Ų | 103 | 111.7 Ų | 111.7 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 134.1 | 173.1 | -23.9 | 33.7 | 0 | 0 | 0 | 111.3 | F76 V80 | F76-P78 HydrophobicContact CD1-CG 4.19Å; F76-P78 HydrophobicContact CE1-CB 4.27Å; F76-P78 HydrophobicContact CE1-CG 3.95Å; P78-V80 PolarHBondContact O-N 3.06Å |
| 79 | G | 72 | Confident | 73.3 | Confident | 83 Ų | 83 | 115.7 Ų | 115.7 | 86% | 0.856 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.9 | -8 | 172 | 0 | 0 | 0 | 0 | 0 | 117.1 | I77 | I77-G79 PolarHBondContact O-N 3.02Š|
| 80 | V | 70.9 | Confident | 72.1 | Confident | 87 Ų | 87 | 114.3 Ų | 114.3 | 53% | 0.527 | 61% | 0.605 | S | S | . | * | trans | -84.9 | -23.8 | 177.6 | -56 | 0 | 0 | 0 | 0 | 113.3 | I77 P78 | I77-V80 HydrophobicContact CB-CG1 3.9Å; I77-V80 HydrophobicContact CB-CG2 3.81Å; I77-V80 HydrophobicContact CG2-CG1 3.5Å; I77-V80 VanDerWaalsContact CG2-CG1 3.5Å; I77-V80 HydrophobicContact CG2-CG2 4.36Å; I77-V80 WeakPolarHBondContact O-CG2 3.01Å; P78-V80 PolarHBondContact O-N 3.06Å | ||
| 81 | F | 70.4 | Confident | 70.8 | Confident | 83 Ų | 83 | 116.3 Ų | 116.3 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -88.7 | 118.1 | -179.4 | -58.6 | -59.6 | 0 | 0 | 0 | 109.7 | F76 L85 I86 | F76-F81 HydrophobicContact CD2-CD2 4.14Å; F76-F81 AromaticContact CD2-CE2 3.85Å; F76-F81 HydrophobicContact CD2-CE2 3.85Å; F76-F81 AromaticContact CE2-CD2 3.84Å; F76-F81 HydrophobicContact CE2-CD2 3.84Å; F76-F81 HydrophobicContact CE2-CE2 4.05Å; F81-L85 HydrophobicContact CB-CD2 4.37Å; F81-L85 HydrophobicContact CD1-CD2 3.33Å; F81-L85 HydrophobicContact CE1-CD2 3.89Å; F81-L85 HydrophobicContact CG-CD2 4.15Å; F81-I86 HydrophobicContact CB-CG1 4.24Å |
| 82 | S | 67.4 | Low | 69.5 | Low | 72 Ų | 72 | 116.5 Ų | 116.5 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | trans | -57.6 | 141.5 | 166.4 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | H84 L85 | S82-H84 PolarHBondContact O-N 3.28Å; S82-H84 PolarHBondContact OG-ND1 3.02Å; S82-L85 WeakPolarHBondContact O-CB 3.41Å; S82-L85 PolarHBondContact O-N 2.89Å | ||
| 83 | E | 64.8 | Low | 68.3 | Low | 159 Ų | 159 | 114.5 Ų | 114.5 | 74% | 0.743 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -45.2 | -35.7 | 176.8 | -173.4 | 179 | -175.6 | 0 | 0 | 112.9 | L85 I86 K87 | E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 2.58Å; E83-I86 PolarHBondContact O-N 2.88Å; E83-K87 PolarHBondContact O-N 3.19Å |
| 84 | H | 63.1 | Low | 66.9 | Low | 134 Ų | 134 | 116.9 Ų | 116.9 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.1 | -29.1 | 176.3 | -54 | 92 | 0 | 0 | 0 | 114.4 | S82 R88 | S82-H84 PolarHBondContact O-N 3.28Å; S82-H84 PolarHBondContact OG-ND1 3.02Å; H84-R88 WeakPolarHBondContact O-CG 3.49Å; H84-R88 PolarHBondContact O-N 2.74Å; H84-R88 PolarHBondContact O-NE 2.83Å |
| 85 | L | 66.8 | Low | 65.2 | Low | 77 Ų | 77 | 120.4 Ų | 120.4 | 40% | 0.403 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -79.5 | -40.5 | 177.8 | -167.5 | 70.1 | 0 | 0 | 0 | 111 | F81 S82 E83 K87 R88 Y89 | F81-L85 HydrophobicContact CB-CD2 4.37Å; F81-L85 HydrophobicContact CD1-CD2 3.33Å; F81-L85 HydrophobicContact CE1-CD2 3.89Å; F81-L85 HydrophobicContact CG-CD2 4.15Å; S82-L85 WeakPolarHBondContact O-CB 3.41Å; S82-L85 PolarHBondContact O-N 2.89Å; E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 2.58Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.28Å; L85-R88 PolarHBondContact O-N 2.91Å; L85-Y89 PolarHBondContact O-N 2.66Å |
| 86 | I | 66.3 | Low | 63.9 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.8 | -44.3 | 176.4 | -56.6 | 169.8 | 0 | 0 | 0 | 109.6 | F81 E83 R88 Y89 D90 | F81-I86 HydrophobicContact CB-CG1 4.24Å; E83-I86 PolarHBondContact O-N 2.88Å; I86-R88 VanDerWaalsContact C-N 3.29Å; I86-R88 PolarHBondContact O-N 3.23Å; I86-Y89 PolarHBondContact O-N 3.08Å; I86-Y89 VanDerWaalsContact O-N 3.13Å; I86-D90 PolarHBondContact O-N 2.87Å |
| 87 | K | 63.8 | Low | 62.6 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.4 | -37.5 | 176.7 | -170.6 | 177.5 | -179.8 | -179 | 0 | 112.8 | E83 L85 V91 | E83-K87 PolarHBondContact O-N 3.19Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.32Å; K87-V91 PolarHBondContact O-N 2.82Å |
| 88 | R | 65.1 | Low | 60.9 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 66% | 0.66 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.7 | -34.3 | 176.9 | -76.8 | -170.4 | -80.9 | 169.2 | -7.1 | 112.5 | H84 L85 I86 | H84-R88 WeakPolarHBondContact O-CG 3.49Å; H84-R88 PolarHBondContact O-N 2.74Å; H84-R88 PolarHBondContact O-NE 2.83Å; L85-R88 PolarHBondContact O-N 2.91Å; I86-R88 VanDerWaalsContact C-N 3.29Å; I86-R88 PolarHBondContact O-N 3.23Å |
| 89 | Y | 61.1 | Low | 59.5 | Low | 147 Ų | 147 | 128.6 Ų | 128.6 | 58% | 0.576 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.5 | -44 | 178.2 | -171.2 | -100.8 | 0 | 0 | 0 | 112.1 | L85 I86 V91 Q92 E93 | L85-Y89 PolarHBondContact O-N 2.66Å; I86-Y89 PolarHBondContact O-N 3.08Å; I86-Y89 VanDerWaalsContact O-N 3.13Å; Y89-V91 VanDerWaalsContact C-N 3.3Å; Y89-V91 PolarHBondContact O-N 2.71Å; Y89-Q92 PolarHBondContact O-N 2.99Å; Y89-E93 PolarHBondContact O-N 3.1Å |
| 90 | D | 58 | Low | 58.1 | Low | 79 Ų | 79 | 133 Ų | 133 | 42% | 0.422 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63 | -34.3 | 179.9 | -167.6 | 26.5 | 0 | 0 | 0 | 112.4 | I86 Q92 R94 | I86-D90 PolarHBondContact O-N 2.87Å; D90-Q92 VanDerWaalsContact C-N 3.27Å; D90-Q92 PolarHBondContact O-N 2.85Å; D90-R94 WeakPolarHBondContact O-CG 3.45Å; D90-R94 PolarHBondContact O-N 2.86Å; D90-R94 IonicContact OD1-NE 3.28Å |
| 91 | V | 57.6 | Low | 56.6 | Low | 116 Ų | 116 | 136.6 Ų | 136.6 | 70% | 0.703 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.9 | -31.1 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | K87 Y89 | K87-V91 WeakPolarHBondContact O-CG2 3.32Å; K87-V91 PolarHBondContact O-N 2.82Å; Y89-V91 VanDerWaalsContact C-N 3.3Å; Y89-V91 PolarHBondContact O-N 2.71Å |
| 92 | Q | 54.5 | Low | 55.5 | Low | 158 Ų | 158 | 137.4 Ų | 137.4 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -86 | -31.4 | -178 | -163.5 | 172.1 | 99.5 | 0 | 0 | 112.8 | Y89 D90 | Y89-Q92 PolarHBondContact O-N 2.99Å; D90-Q92 VanDerWaalsContact C-N 3.27Å; D90-Q92 PolarHBondContact O-N 2.85Å |
| 93 | E | 59 | Low | 54.3 | Low | 110 Ų | 110 | 140.3 Ų | 140.3 | 51% | 0.514 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -80.4 | -28 | -178.1 | -151.6 | -147 | 147.9 | 0 | 0 | 113.3 | Y89 H95 | Y89-E93 PolarHBondContact O-N 3.1Å; E93-H95 PolarHBondContact O-CD2 3.42Å; E93-H95 VanDerWaalsContact O-CD2 3.31Å; E93-H95 PolarHBondContact O-N 3.36Å |
| 94 | R | 52.3 | Low | 53.6 | Low | 187 Ų | 187 | 139.2 Ų | 139.2 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -74.3 | 76.3 | 175.9 | -66.5 | -110.1 | -163.4 | 154.9 | 6.4 | 110.6 | D90 P96 | D90-R94 WeakPolarHBondContact O-CG 3.45Å; D90-R94 PolarHBondContact O-N 2.86Å; D90-R94 IonicContact OD1-NE 3.28Å; R94-P96 WeakPolarHBondContact O-CD 2.94Å; R94-P96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | H | 47.3 | Very low | 52.9 | Low | 157 Ų | 157 | 140.2 Ų | 140.2 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -56.3 | 112.8 | 163.7 | -60.6 | -70.1 | 0 | 0 | 0 | 109.2 | E93 K97 | E93-H95 PolarHBondContact O-CD2 3.42Å; E93-H95 VanDerWaalsContact O-CD2 3.31Å; E93-H95 PolarHBondContact O-N 3.36Å; H95-K97 PolarHBondContact O-N 3.28Å | ||
| 96 | P | 50.9 | Low | 52.1 | Low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -76.9 | 94.4 | -177.9 | 28.9 | -29.6 | 0 | 0 | 0 | 109.8 | R94 G98 | R94-P96 WeakPolarHBondContact O-CD 2.94Å; R94-P96 VanDerWaalsContact O-N 3.12Å; P96-G98 PolarHBondContact O-N 3.18Å | ||
| 97 | K | 49.6 | Very low | 51.5 | Low | 220 Ų | 220 | 143.2 Ų | 143.2 | 96% | 0.957 | 71% | 0.714 | S | S | * | * | trans | -75 | 71.9 | 157.9 | -79 | -179.3 | 177.7 | 171.1 | 0 | 108.5 | H95 | H95-K97 PolarHBondContact O-N 3.28Š| ||
| 98 | G | 41.4 | Very low | 51.2 | Low | 57 Ų | 57 | 142.6 Ų | 142.6 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | trans | -152.6 | 106.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P96 M100 | P96-G98 PolarHBondContact O-N 3.18Å; G98-M100 PolarHBondContact O-N 3.34Å; G98-M100 VanDerWaalsContact O-N 3.14Å | ||
| 99 | K | 46.6 | Very low | 50.8 | Low | 215 Ų | 215 | 141.1 Ų | 141.1 | 94% | 0.935 | 72% | 0.723 | S | S | * | * | trans | -70.3 | 99.3 | -174.9 | -59.7 | 168.2 | 179.2 | 176.7 | 0 | 110.4 | ||||
| 100 | M | 42.8 | Very low | 50.6 | Low | 176 Ų | 176 | 139.9 Ų | 139.9 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -141.4 | 98.8 | 162.8 | -72.2 | -176.4 | 73.9 | 0 | 0 | 110.3 | G98 | G98-M100 PolarHBondContact O-N 3.34Å; G98-M100 VanDerWaalsContact O-N 3.14Å | ||
| 101 | I | 40.7 | Very low | 50.7 | Low | 161 Ų | 161 | 144.7 Ų | 144.7 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | 26.6 | 143.7 | 133.3 | -41 | -178.6 | 0 | 0 | 0 | 118.3 | ||||
| 102 | P | 46.8 | Very low | 51.2 | Low | 100 Ų | 100 | 146.3 Ų | 146.3 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | cis | -132.8 | 162.1 | -39.2 | 39.4 | -21.9 | 0 | 0 | 0 | 113.1 | L104 | P102-L104 PolarHBondContact O-N 3.01Š| ||
| 103 | V | 42.1 | Very low | 52.5 | Low | 134 Ų | 134 | 147.3 Ų | 147.3 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | 32.6 | 78.1 | 138.7 | -167.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 104 | L | 49.9 | Very low | 53.7 | Low | 135 Ų | 135 | 148.7 Ų | 148.7 | 71% | 0.707 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -156 | -19.5 | 149.6 | -155.5 | 72.2 | 0 | 0 | 0 | 115.4 | P102 | P102-L104 PolarHBondContact O-N 3.01Š|
| 105 | H | 48.9 | Very low | 55.2 | Low | 156 Ų | 156 | 145.6 Ų | 145.6 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -133 | 62.5 | -169.3 | -49.5 | -69.5 | 0 | 0 | 0 | 113.2 | ||
| 106 | N | 48.9 | Very low | 57.3 | Low | 126 Ų | 126 | 147.4 Ų | 147.4 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | -131.5 | 24.1 | 175 | -74.5 | -55.4 | 0 | 0 | 0 | 113.7 | ||||
| 107 | T | 54.3 | Low | 59.2 | Low | 112 Ų | 112 | 151.1 Ų | 151.1 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -85.8 | -14.6 | 174.9 | 43.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 108 | D | 57.4 | Low | 61.2 | Low | 147 Ų | 147 | 146.2 Ų | 146.2 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -91.7 | -31.8 | -179.1 | -167.4 | 48 | 0 | 0 | 0 | 113.4 | ||
| 109 | L | 56 | Low | 63.3 | Low | 145 Ų | 145 | 146.4 Ų | 146.4 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -98.8 | 14.6 | -178.2 | -74.6 | 167.8 | 0 | 0 | 0 | 113.9 | Q111 | L109-Q111 PolarHBondContact O-N 3.17Š|
| 110 | E | 58.5 | Low | 65.1 | Low | 120 Ų | 120 | 141.1 Ų | 141.1 | 56% | 0.561 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -65.2 | 103.8 | 173.9 | -168 | -142.9 | -171.8 | 0 | 0 | 108.5 | K112 | E110-K112 VanDerWaalsContact C-N 3.33Å; E110-K112 WeakPolarHBondContact O-CD 3.17Å; E110-K112 WeakPolarHBondContact O-CG 3.47Å; E110-K112 PolarHBondContact O-N 3.47Å; E110-K112 IonicContact OE2-NZ 3.67Å; E110-K112 PolarHBondContact OE2-NZ 3.18Å |
| 111 | Q | 59.4 | Low | 67 | Low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | trans | -24.7 | 85.1 | 175.1 | -59.8 | -172.3 | -16.6 | 0 | 0 | 113.1 | L109 K113 | L109-Q111 PolarHBondContact O-N 3.17Å; Q111-K113 PolarHBondContact O-N 2.98Å | ||
| 112 | K | 68.9 | Low | 69 | Low | 150 Ų | 150 | 136.7 Ų | 136.7 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | trans | -70.2 | 106.7 | -176.7 | -65.4 | -57.4 | 175.4 | -165 | 0 | 107.8 | E110 | E110-K112 VanDerWaalsContact C-N 3.33Å; E110-K112 WeakPolarHBondContact O-CD 3.17Å; E110-K112 WeakPolarHBondContact O-CG 3.47Å; E110-K112 PolarHBondContact O-N 3.47Å; E110-K112 IonicContact OE2-NZ 3.67Å; E110-K112 PolarHBondContact OE2-NZ 3.18Å | ||
| 113 | K | 80.8 | Confident | 70.6 | Confident | 180 Ų | 180 | 139.1 Ų | 139.1 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -50 | 149.3 | 164.7 | -67.7 | 177.9 | -179.5 | 173.4 | 0 | 108.4 | Q111 R115 | Q111-K113 PolarHBondContact O-N 2.98Å; K113-R115 PolarHBondContact O-N 3.38Å |
| 114 | P | 83.5 | Confident | 72.4 | Confident | 138 Ų | 138 | 138.7 Ų | 138.7 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 117.7 | 173.6 | -27.9 | 35 | 0 | 0 | 0 | 110.3 | ||
| 115 | R | 84.1 | Confident | 73.9 | Confident | 123 Ų | 123 | 136.2 Ų | 136.2 | 46% | 0.464 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -90.9 | 142.4 | 179 | -168.1 | 178.3 | 61.6 | 56.5 | -23.7 | 108.2 | K113 T119 | K113-R115 PolarHBondContact O-N 3.38Å; R115-T119 HydrophobicContact CG-CG2 3.96Å; R115-T119 PolarHBondContact NH1-O 3.41Å; R115-T119 PolarHBondContact NH2-O 3.34Å |
| 116 | R | 91 | Very high | 75.3 | Confident | 195 Ų | 195 | 134.1 Ų | 134.1 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 141.6 | 171.2 | -60.7 | -177.3 | 161.4 | 142.2 | -3 | 109.5 | D118 T119 | R116-D118 WeakPolarHBondContact CB-OD1 3.39Å; R116-D118 PolarHBondContact O-N 3.19Å; R116-T119 PolarHBondContact O-N 3.31Å; R116-T119 PolarHBondContact O-OG1 3.08Å |
| 117 | K | 90.6 | Very high | 76.4 | Confident | 203 Ų | 203 | 135.4 Ų | 135.4 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -26.6 | -172.8 | 63.7 | -94.3 | -176.2 | 174.7 | 0 | 115 | ||
| 118 | D | 92.3 | Very high | 76.9 | Confident | 118 Ų | 118 | 133.1 Ų | 133.1 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -14.6 | -179.7 | 58 | -55.8 | 0 | 0 | 0 | 114.3 | R116 | R116-D118 WeakPolarHBondContact CB-OD1 3.39Å; R116-D118 PolarHBondContact O-N 3.19Å |
| 119 | T | 85.4 | Confident | 77.2 | Confident | 61 Ų | 61 | 131.5 Ų | 131.5 | 37% | 0.374 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -71.7 | 135.3 | 172.8 | -41.4 | 0 | 0 | 0 | 0 | 108.7 | R115 R116 | R115-T119 HydrophobicContact CG-CG2 3.96Å; R115-T119 PolarHBondContact NH1-O 3.41Å; R115-T119 PolarHBondContact NH2-O 3.34Å; R116-T119 PolarHBondContact O-N 3.31Å; R116-T119 PolarHBondContact O-OG1 3.08Å |
| 120 | P | 85.2 | Confident | 77.4 | Confident | 104 Ų | 104 | 128.2 Ų | 128.2 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 151.5 | 172.3 | 25.4 | -31.1 | 0 | 0 | 0 | 110.7 | ||
| 121 | A | 82.9 | Confident | 77.3 | Confident | 76 Ų | 76 | 127.3 Ų | 127.3 | 63% | 0.628 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 134.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | H123 | A121-H123 PolarHBondContact O-N 3.24Å; A121-H123 VanDerWaalsContact O-N 3.09Å |
| 122 | L | 81.3 | Confident | 77.1 | Confident | 168 Ų | 168 | 124.3 Ų | 124.3 | 88% | 0.88 | 69% | 0.689 | S | S | * | * | trans | -71.8 | 104.8 | 169.2 | -66 | 177.9 | 0 | 0 | 0 | 107.5 | M124 | L122-M124 PolarHBondContact O-N 3.49Š| ||
| 123 | H | 81.1 | Confident | 76.5 | Confident | 150 Ų | 150 | 122.6 Ų | 122.6 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | trans | -75.8 | 114 | 174.8 | 179.3 | -96.2 | 0 | 0 | 0 | 109 | A121 | A121-H123 PolarHBondContact O-N 3.24Å; A121-H123 VanDerWaalsContact O-N 3.09Å | ||
| 124 | M | 79.8 | Confident | 75.3 | Confident | 126 Ų | 126 | 119.6 Ų | 119.6 | 62% | 0.621 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 117.9 | 161.9 | -64.2 | -136.3 | 75.8 | 0 | 0 | 107.3 | L122 F127 | L122-M124 PolarHBondContact O-N 3.49Å; M124-F127 HydrophobicContact CE-CZ 4.45Å |
| 125 | S | 81.2 | Confident | 74 | Confident | 83 Ų | 83 | 122.1 Ų | 122.1 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -54 | 135.1 | 173 | -65 | 0 | 0 | 0 | 0 | 109.3 | F127 | S125-F127 PolarHBondContact O-N 3.2Å; S125-F127 VanDerWaalsContact O-N 3.17Å |
| 126 | P | 78.3 | Confident | 72.6 | Confident | 111 Ų | 111 | 123.5 Ų | 123.5 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 127.3 | 176.8 | -23.4 | 30.9 | 0 | 0 | 0 | 109.4 | A128 | P126-A128 PolarHBondContact O-N 3.1Š|
| 127 | F | 72.2 | Confident | 70.9 | Confident | 154 Ų | 154 | 119.9 Ų | 119.9 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | trans | -65.1 | 105.2 | 169.6 | -62 | -81.7 | 0 | 0 | 0 | 107 | M124 S125 A129 | M124-F127 HydrophobicContact CE-CZ 4.45Å; S125-F127 PolarHBondContact O-N 3.2Å; S125-F127 VanDerWaalsContact O-N 3.17Å; F127-A129 PolarHBondContact O-N 3.33Å | ||
| 128 | A | 65.8 | Low | 69.2 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | trans | -61.6 | 121 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | P126 G130 V131 | P126-A128 PolarHBondContact O-N 3.1Å; A128-G130 PolarHBondContact O-N 3.37Å; A128-V131 HydrophobicContact CB-CG2 4.16Å; A128-V131 PolarHBondContact O-N 3.17Å | ||
| 129 | A | 62 | Low | 67.8 | Low | 113 Ų | 113 | 121.1 Ų | 121.1 | 93% | 0.934 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 112.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | F127 | F127-A129 PolarHBondContact O-N 3.33Š|
| 130 | G | 60.4 | Low | 66.7 | Low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.1 | -13.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | A128 T132 | A128-G130 PolarHBondContact O-N 3.37Å; G130-T132 PolarHBondContact O-N 3.19Å; G130-T132 VanDerWaalsContact O-N 3.13Å |
| 131 | V | 56.4 | Low | 66.1 | Low | 101 Ų | 101 | 125.1 Ų | 125.1 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | trans | -88.4 | 80.5 | 172.5 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | A128 L133 | A128-V131 HydrophobicContact CB-CG2 4.16Å; A128-V131 PolarHBondContact O-N 3.17Å; V131-L133 PolarHBondContact O-N 2.69Å; V131-L133 VanDerWaalsContact O-N 3.12Å | ||
| 132 | T | 55.7 | Low | 65.5 | Low | 116 Ų | 116 | 129.6 Ų | 129.6 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | -57.3 | 118.7 | 155.2 | 48.4 | 0 | 0 | 0 | 0 | 105.6 | G130 L134 | G130-T132 PolarHBondContact O-N 3.19Å; G130-T132 VanDerWaalsContact O-N 3.13Å; T132-L134 PolarHBondContact O-N 3.45Å | ||
| 133 | L | 56.8 | Low | 65.3 | Low | 115 Ų | 115 | 127.7 Ų | 127.7 | 60% | 0.602 | 71% | 0.711 | S | S | * | * | trans | -71.1 | 67.5 | 173.6 | -150 | 155 | 0 | 0 | 0 | 106.7 | V131 R135 | V131-L133 PolarHBondContact O-N 2.69Å; V131-L133 VanDerWaalsContact O-N 3.12Å; L133-R135 HydrophobicContact CD2-CG 3.71Å; L133-R135 PolarHBondContact O-N 3.18Å | ||
| 134 | L | 56.4 | Low | 65.1 | Low | 117 Ų | 117 | 129.3 Ų | 129.3 | 61% | 0.613 | 72% | 0.718 | S | S | * | * | trans | -73.2 | 79.9 | 176.1 | -170.4 | 70.6 | 0 | 0 | 0 | 105.4 | T132 D136 E137 | T132-L134 PolarHBondContact O-N 3.45Å; L134-D136 PolarHBondContact O-N 3.36Å; L134-D136 VanDerWaalsContact O-N 3.16Å; L134-E137 HydrophobicContact CD2-CB 4.36Å | ||
| 135 | R | 54.5 | Low | 64.9 | Low | 190 Ų | 190 | 130.6 Ų | 130.6 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.2 | 119.1 | 153.4 | -59.1 | -65.9 | -172.2 | 178.3 | -6.5 | 104.8 | L133 | L133-R135 HydrophobicContact CD2-CG 3.71Å; L133-R135 PolarHBondContact O-N 3.18Å |
| 136 | D | 55.3 | Low | 64.7 | Low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.7 | 13.8 | 162.6 | -49.3 | -20.8 | 0 | 0 | 0 | 118.2 | L134 R138 | L134-D136 PolarHBondContact O-N 3.36Å; L134-D136 VanDerWaalsContact O-N 3.16Å; D136-R138 PolarHBondContact O-N 2.78Å |
| 137 | E | 55.6 | Low | 64.6 | Low | 118 Ų | 118 | 136 Ų | 136 | 55% | 0.551 | 74% | 0.739 | S | S | * | * | trans | -85.4 | 100.8 | 165.6 | -158.6 | 172.6 | -174.4 | 0 | 0 | 111.1 | L134 K140 | L134-E137 HydrophobicContact CD2-CB 4.36Å; E137-K140 WeakPolarHBondContact OE1-CE 3.37Å; E137-K140 IonicContact OE1-NZ 2.6Å; E137-K140 PolarHBondContact OE1-NZ 3.09Å | ||
| 138 | R | 55.3 | Low | 64.7 | Low | 217 Ų | 217 | 137 Ų | 137 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | trans | -51.5 | 146.3 | 176.3 | -67.1 | -176 | 173.7 | 177.6 | -1.8 | 111.6 | D136 K140 | D136-R138 PolarHBondContact O-N 2.78Å; R138-K140 PolarHBondContact O-N 3.25Å | ||
| 139 | P | 61.5 | Low | 64.9 | Low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -58.5 | 106.8 | -178.5 | 20.8 | -30.3 | 0 | 0 | 0 | 110.6 | A141 | P139-A141 PolarHBondContact O-N 2.97Å; P139-A141 VanDerWaalsContact O-N 3.16Å | ||
| 140 | K | 62.5 | Low | 65.1 | Low | 157 Ų | 157 | 139.2 Ų | 139.2 | 68% | 0.683 | 75% | 0.747 | S | S | * | * | trans | -76.6 | 96.4 | 168.6 | -72.3 | 167.7 | 174.4 | 178.4 | 0 | 106.6 | E137 R138 I142 | E137-K140 WeakPolarHBondContact OE1-CE 3.37Å; E137-K140 IonicContact OE1-NZ 2.6Å; E137-K140 PolarHBondContact OE1-NZ 3.09Å; R138-K140 PolarHBondContact O-N 3.25Å; K140-I142 PolarHBondContact O-N 3.05Å; K140-I142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | A | 72.5 | Confident | 65.5 | Low | 93 Ų | 93 | 143.1 Ų | 143.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -60.9 | 113.2 | 169 | 0 | 0 | 0 | 0 | 0 | 107.7 | P139 V143 | P139-A141 PolarHBondContact O-N 2.97Å; P139-A141 VanDerWaalsContact O-N 3.16Å; A141-V143 PolarHBondContact O-N 3.38Å | ||
| 142 | I | 71.4 | Confident | 66.1 | Low | 169 Ų | 169 | 148 Ų | 148 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -81.4 | 114.1 | 178 | -35.3 | 167.8 | 0 | 0 | 0 | 105.1 | K140 | K140-I142 PolarHBondContact O-N 3.05Å; K140-I142 VanDerWaalsContact O-N 3.14Å | ||
| 143 | V | 75.8 | Confident | 66.8 | Low | 129 Ų | 129 | 150.2 Ų | 150.2 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 129.9 | 176.3 | 175.2 | 0 | 0 | 0 | 0 | 107.5 | A141 D145 | A141-V143 PolarHBondContact O-N 3.38Å; V143-D145 PolarHBondContact O-N 3.17Å |
| 144 | E | 78 | Confident | 67.4 | Low | 183 Ų | 183 | 149.5 Ų | 149.5 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.2 | 173.2 | -75.4 | -178.6 | 138.4 | 0 | 0 | 109.7 | ||
| 145 | D | 76.3 | Confident | 67.5 | Low | 154 Ų | 154 | 155.1 Ų | 155.1 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 116.8 | 176.9 | -174 | 33.4 | 0 | 0 | 0 | 108.2 | V143 E147 | V143-D145 PolarHBondContact O-N 3.17Å; D145-E147 PolarHBondContact O-N 2.91Å |
| 146 | D | 76.9 | Confident | 68.2 | Low | 132 Ų | 132 | 153.4 Ų | 153.4 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -66.8 | 115.5 | 178.1 | -74.9 | -42.2 | 0 | 0 | 0 | 109.7 | K148 | D146-K148 PolarHBondContact O-N 3.04Š| ||
| 147 | E | 76.1 | Confident | 68.9 | Low | 175 Ų | 175 | 153.4 Ų | 153.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -49.3 | 119.6 | 174.1 | -173.4 | 177.3 | 155.6 | 0 | 0 | 110.1 | D145 D149 | D145-E147 PolarHBondContact O-N 2.91Å; E147-D149 PolarHBondContact O-N 3.17Å | ||
| 148 | K | 72.7 | Confident | 69.6 | Low | 176 Ų | 176 | 155.3 Ų | 155.3 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | -75.6 | 110.2 | 174.9 | -62.9 | -60.6 | -179.5 | -161.9 | 0 | 108.4 | D146 G150 | D146-K148 PolarHBondContact O-N 3.04Å; K148-G150 VanDerWaalsContact C-N 3.3Å; K148-G150 PolarHBondContact O-N 3.11Å | ||
| 149 | D | 70.2 | Confident | 70.4 | Confident | 150 Ų | 150 | 151.7 Ų | 151.7 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | -54.5 | 95.3 | 163.9 | -85.7 | -40.9 | 0 | 0 | 0 | 108.8 | E147 D151 | E147-D149 PolarHBondContact O-N 3.17Å; D149-D151 PolarHBondContact O-N 2.96Å | ||
| 150 | G | 67.7 | Low | 71 | Confident | 72 Ų | 72 | 153.1 Ų | 153.1 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | -60.7 | 118.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | K148 | K148-G150 VanDerWaalsContact C-N 3.3Å; K148-G150 PolarHBondContact O-N 3.11Å | ||
| 151 | D | 67.5 | Low | 71.6 | Confident | 158 Ų | 158 | 152.8 Ų | 152.8 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -45 | 133.9 | -174.2 | -66.5 | -52.5 | 0 | 0 | 0 | 113.7 | D149 I153 | D149-D151 PolarHBondContact O-N 2.96Å; D151-I153 PolarHBondContact O-N 3.39Å; D151-I153 VanDerWaalsContact O-N 3.1Å | ||
| 152 | K | 70.2 | Confident | 71.5 | Confident | 203 Ų | 203 | 157.1 Ų | 157.1 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -61.8 | 114.8 | 178.3 | -55.3 | -151.5 | -177.8 | -157.1 | 0 | 109.6 | A154 | K152-A154 PolarHBondContact O-N 3.11Š| ||
| 153 | I | 69.4 | Low | 71.5 | Confident | 163 Ų | 163 | 156.2 Ų | 156.2 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | -47.1 | 111.1 | 162.6 | 17.6 | 168 | 0 | 0 | 0 | 109.3 | D151 | D151-I153 PolarHBondContact O-N 3.39Å; D151-I153 VanDerWaalsContact O-N 3.1Å | ||
| 154 | A | 69.5 | Low | 71.1 | Confident | 100 Ų | 100 | 158.4 Ų | 158.4 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | trans | -76.2 | 123.9 | 167 | 0 | 0 | 0 | 0 | 0 | 108.2 | K152 | K152-A154 PolarHBondContact O-N 3.11Š| ||
| 155 | I | 59.3 | Low | 70.5 | Confident | 235 Ų | 235 | 156.2 Ų | 156.2 | 100% | 1.205 | 84% | 0.841 | S | S | * | * | trans | -87 | 0 | 169.8 | -60.6 | 172.2 | 0 | 0 | 0 | 108.3 |
Retrieved 155 of 155 residues in 50.4 ms
(Link to these results)