| 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 | 48.2 | Very low | 51.7 | Low | 200 Ų | 200 | 121 Ų | 121 | 99% | 0.985 | 57% | 0.572 | S | S | * | * | 0 | -27.1 | 0 | -82.6 | -176.7 | 174.2 | 0 | 0 | 115 | W3 L4 H5 | M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-H5 PolarHBondContact O-CD2 3.23Å | |||
| 2 | A | 47.8 | Very low | 51.1 | Low | 51 Ų | 51 | 120.1 Ų | 120.1 | 42% | 0.421 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58 | -33.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L4 H5 M6 V24 | A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.24Å; A2-H5 PolarHBondContact O-N 3.25Å; A2-M6 PolarHBondContact O-N 3.18Å; A2-V24 HydrophobicContact CB-CG1 4.37Å |
| 3 | W | 47.3 | Very low | 50.6 | Low | 183 Ų | 183 | 114.2 Ų | 114.2 | 69% | 0.693 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.7 | -34.4 | 178.9 | -167.1 | 80.7 | 0 | 0 | 0 | 113.4 | M1 R7 | M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.34Å; W3-R7 WeakPolarHBondContact O-CB 3.24Å; W3-R7 PolarHBondContact O-N 3.27Å |
| 4 | L | 52.7 | Low | 50.3 | Low | 112 Ų | 112 | 117.3 Ų | 117.3 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.2 | -34.8 | 175.5 | -100 | 146.2 | 0 | 0 | 0 | 112.2 | M1 A2 R7 K8 | M1-L4 PolarHBondContact O-N 3.09Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.24Å; L4-R7 PolarHBondContact O-N 3.32Å; L4-K8 PolarHBondContact O-N 2.99Å; L4-K8 VanDerWaalsContact O-N 3.11Å |
| 5 | H | 52.6 | Low | 49.8 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 57% | 0.569 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.5 | -40.5 | 175.4 | -76.7 | -78.2 | 0 | 0 | 0 | 112.2 | M1 A2 R7 K8 A9 | M1-H5 PolarHBondContact O-CD2 3.23Å; A2-H5 PolarHBondContact O-N 3.25Å; H5-R7 VanDerWaalsContact C-N 3.31Å; H5-R7 PolarHBondContact O-N 3.33Å; H5-K8 PolarHBondContact O-N 3.28Å; H5-A9 VanDerWaalsContact O-CB 3.28Å; H5-A9 WeakPolarHBondContact O-CB 3.36Å; H5-A9 PolarHBondContact O-N 3.5Å |
| 6 | M | 54.7 | Low | 49.2 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 50% | 0.498 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -40.5 | 171.4 | -75.9 | -163.5 | 175.2 | 0 | 0 | 111.5 | A2 K8 A9 Y10 V24 | A2-M6 PolarHBondContact O-N 3.18Å; M6-K8 PolarHBondContact O-N 3Å; M6-A9 WeakPolarHBondContact O-CB 3.32Å; M6-A9 PolarHBondContact O-N 3.5Å; M6-Y10 VanDerWaalsContact O-CD2 3.32Å; M6-Y10 WeakPolarHBondContact O-CD2 3.38Å; M6-Y10 PolarHBondContact O-N 3.35Å; M6-V24 HydrophobicContact CE-CG2 4.21Å; M6-V24 HydrophobicContact CG-CG2 4.37Å |
| 7 | R | 54.3 | Low | 48.7 | Very low | 154 Ų | 154 | 119.5 Ų | 119.5 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.6 | -37.6 | 179.6 | -158.8 | 174.1 | -176.4 | -176.9 | -0.3 | 113.3 | W3 L4 H5 | W3-R7 WeakPolarHBondContact O-CB 3.24Å; W3-R7 PolarHBondContact O-N 3.27Å; L4-R7 PolarHBondContact O-N 3.32Å; H5-R7 VanDerWaalsContact C-N 3.31Å; H5-R7 PolarHBondContact O-N 3.33Å |
| 8 | K | 51.8 | Low | 48.1 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.6 | -40.5 | 172.2 | -88.9 | -177.9 | 175.6 | 179.9 | 0 | 112.3 | L4 H5 M6 Y10 S11 L12 | L4-K8 PolarHBondContact O-N 2.99Å; L4-K8 VanDerWaalsContact O-N 3.11Å; H5-K8 PolarHBondContact O-N 3.28Å; M6-K8 PolarHBondContact O-N 3Å; K8-Y10 VanDerWaalsContact C-N 3.34Å; K8-Y10 PolarHBondContact O-N 3Å; K8-S11 PolarHBondContact O-N 3.38Å; K8-S11 PolarHBondContact O-OG 3.17Å; K8-L12 PolarHBondContact O-N 2.94Å |
| 9 | A | 53.9 | Low | 47.9 | Very low | 19 Ų | 19 | 126.7 Ų | 126.7 | 16% | 0.157 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -60 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | H5 M6 S11 P13 V22 | H5-A9 VanDerWaalsContact O-CB 3.28Å; H5-A9 WeakPolarHBondContact O-CB 3.36Å; H5-A9 PolarHBondContact O-N 3.5Å; M6-A9 WeakPolarHBondContact O-CB 3.32Å; M6-A9 PolarHBondContact O-N 3.5Å; A9-S11 VanDerWaalsContact C-N 3.32Å; A9-S11 PolarHBondContact O-N 2.81Å; A9-P13 WeakPolarHBondContact O-CD 3.44Å; A9-V22 HydrophobicContact CB-CB 4Å; A9-V22 HydrophobicContact CB-CG1 4.11Å; A9-V22 HydrophobicContact CB-CG2 3.41Å; A9-V22 VanDerWaalsContact CB-CG2 3.41Å |
| 10 | Y | 52.7 | Low | 47.8 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 68% | 0.675 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.3 | -25.3 | 176.9 | -89.6 | -82.1 | 0 | 0 | 0 | 113.6 | M6 K8 Y14 | M6-Y10 VanDerWaalsContact O-CD2 3.32Å; M6-Y10 WeakPolarHBondContact O-CD2 3.38Å; M6-Y10 PolarHBondContact O-N 3.35Å; K8-Y10 VanDerWaalsContact C-N 3.34Å; K8-Y10 PolarHBondContact O-N 3Å; Y10-Y14 WeakPolarHBondContact O-CD2 3.35Å |
| 11 | S | 53 | Low | 47.6 | Very low | 69 Ų | 69 | 122 Ų | 122 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -84.2 | -21 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | K8 A9 | K8-S11 PolarHBondContact O-N 3.38Å; K8-S11 PolarHBondContact O-OG 3.17Å; A9-S11 VanDerWaalsContact C-N 3.32Å; A9-S11 PolarHBondContact O-N 2.81Å |
| 12 | L | 43.6 | Very low | 47.6 | Very low | 110 Ų | 110 | 116 Ų | 116 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -76 | -40 | -175.2 | -92 | 153.2 | 0 | 0 | 0 | 115.9 | K8 Y14 M15 | K8-L12 PolarHBondContact O-N 2.94Å; L12-Y14 PolarHBondContact O-N 2.97Å; L12-M15 PolarHBondContact O-N 3.46Å |
| 13 | P | 45.6 | Very low | 47.6 | Very low | 43 Ų | 43 | 121.4 Ų | 121.4 | 28% | 0.279 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -69.8 | -21.3 | 180 | 25 | -31.9 | 0 | 0 | 0 | 112.8 | A9 M15 C16 S17 | A9-P13 WeakPolarHBondContact O-CD 3.44Å; P13-M15 VanDerWaalsContact C-N 3.26Å; P13-M15 PolarHBondContact O-N 3.26Å; P13-C16 PolarHBondContact O-N 3.18Å; P13-S17 PolarHBondContact O-N 2.78Å |
| 14 | Y | 45.7 | Very low | 47.5 | Very low | 158 Ų | 158 | 115.5 Ų | 115.5 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -72.6 | -11.4 | 178.3 | -85.6 | -80.6 | 0 | 0 | 0 | 114.7 | Y10 L12 | Y10-Y14 WeakPolarHBondContact O-CD2 3.35Å; L12-Y14 PolarHBondContact O-N 2.97Å |
| 15 | M | 42.7 | Very low | 46.9 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 85% | 0.847 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -104.3 | -9.8 | 175.5 | -66.2 | -147.2 | 125.9 | 0 | 0 | 114.2 | L12 P13 | L12-M15 PolarHBondContact O-N 3.46Å; P13-M15 VanDerWaalsContact C-N 3.26Å; P13-M15 PolarHBondContact O-N 3.26Å |
| 16 | C | 40.9 | Very low | 46.3 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 62% | 0.622 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 7.9 | -169.9 | -79.1 | 0 | 0 | 0 | 0 | 116.8 | P13 R18 | P13-C16 PolarHBondContact O-N 3.18Å; C16-R18 PolarHBondContact O-N 2.9Å |
| 17 | S | 40.3 | Very low | 45.5 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 88% | 0.881 | 63% | 0.633 | S | S | * | * | trans | 43.4 | 45.9 | 178.4 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | P13 | P13-S17 PolarHBondContact O-N 2.78Š| ||
| 18 | R | 38.4 | Very low | 44.8 | Very low | 196 Ų | 196 | 117.7 Ų | 117.7 | 74% | 0.74 | 64% | 0.639 | S | S | * | * | trans | -125.2 | 134.5 | 174.4 | -82 | -175.2 | 174.4 | 177.7 | -1.1 | 109.2 | C16 V20 | C16-R18 PolarHBondContact O-N 2.9Å; R18-V20 PolarHBondContact O-N 3.05Å | ||
| 19 | D | 42.9 | Very low | 44.3 | Very low | 179 Ų | 179 | 118.1 Ų | 118.1 | 96% | 0.957 | 65% | 0.647 | S | S | * | * | trans | -67 | 102.6 | 172.6 | -75.1 | -32.4 | 0 | 0 | 0 | 109.4 | ||||
| 20 | V | 46.9 | Very low | 43.4 | Very low | 80 Ų | 80 | 123 Ų | 123 | 49% | 0.485 | 68% | 0.678 | S | S | . | * | trans | -99.4 | 101 | 174.9 | -176 | 0 | 0 | 0 | 0 | 108.5 | R18 V22 | R18-V20 PolarHBondContact O-N 3.05Å; V20-V22 HydrophobicContact CG1-CG2 3.93Å | ||
| 21 | G | 43.3 | Very low | 42.5 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | -75.7 | 119.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 22 | V | 48.3 | Very low | 41.9 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 46% | 0.455 | 70% | 0.695 | S | S | . | * | trans | -103.2 | 107.2 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | A9 V20 V24 | A9-V22 HydrophobicContact CB-CB 4Å; A9-V22 HydrophobicContact CB-CG1 4.11Å; A9-V22 HydrophobicContact CB-CG2 3.41Å; A9-V22 VanDerWaalsContact CB-CG2 3.41Å; V20-V22 HydrophobicContact CG1-CG2 3.93Å; V22-V24 HydrophobicContact CG1-CG2 3.93Å; V22-V24 PolarHBondContact O-N 3.04Å | ||
| 23 | I | 47.4 | Very low | 41.4 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | -84.9 | 101.9 | 171.3 | -57.7 | 174.5 | 0 | 0 | 0 | 107.6 | R25 | I23-R25 PolarHBondContact O-N 2.85Š| ||
| 24 | V | 46.3 | Very low | 41 | Very low | 59 Ų | 59 | 124.9 Ų | 124.9 | 36% | 0.358 | 72% | 0.72 | S | S | . | * | trans | -83.1 | 108.8 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | A2 M6 V22 A26 | A2-V24 HydrophobicContact CB-CG1 4.37Å; M6-V24 HydrophobicContact CE-CG2 4.21Å; M6-V24 HydrophobicContact CG-CG2 4.37Å; V22-V24 HydrophobicContact CG1-CG2 3.93Å; V22-V24 PolarHBondContact O-N 3.04Å; V24-A26 PolarHBondContact O-N 3.49Å | ||
| 25 | R | 39.9 | Very low | 40.6 | Very low | 231 Ų | 231 | 123 Ų | 123 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | -73 | 113.9 | 164.8 | -82.6 | -175.2 | 175.7 | 178 | -1 | 108.6 | I23 | I23-R25 PolarHBondContact O-N 2.85Š| ||
| 26 | A | 40.2 | Very low | 40.2 | Very low | 75 Ų | 75 | 117.3 Ų | 117.3 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | trans | -66.9 | 134.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | V24 S28 | V24-A26 PolarHBondContact O-N 3.49Å; A26-S28 VanDerWaalsContact C-N 3.31Å; A26-S28 PolarHBondContact O-N 2.99Å; A26-S28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | P | 37.3 | Very low | 39.9 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -84.9 | 77.3 | 174.8 | 34.1 | -29.7 | 0 | 0 | 0 | 109.3 | ||
| 28 | S | 39.1 | Very low | 39.8 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | -176.9 | 69.1 | 157.1 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | A26 | A26-S28 VanDerWaalsContact C-N 3.31Å; A26-S28 PolarHBondContact O-N 2.99Å; A26-S28 VanDerWaalsContact O-N 3.08Å | ||
| 29 | L | 41.1 | Very low | 39.9 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -126.4 | 125.4 | 150.2 | -72.9 | 171.9 | 0 | 0 | 0 | 104.9 | V31 | L29-V31 PolarHBondContact O-N 3Š|
| 30 | P | 35 | Very low | 39.5 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -58.6 | 130.6 | 176 | 25.6 | -31 | 0 | 0 | 0 | 107.5 | S32 | P30-S32 PolarHBondContact O-N 3.09Š| ||
| 31 | V | 35.4 | Very low | 39.3 | Very low | 144 Ų | 144 | 121.1 Ų | 121.1 | 87% | 0.873 | 74% | 0.737 | S | S | * | * | trans | -64.3 | 90.1 | 171 | -179.5 | 0 | 0 | 0 | 0 | 106.2 | L29 S33 | L29-V31 PolarHBondContact O-N 3Å; V31-S33 PolarHBondContact O-N 3.31Å | ||
| 32 | S | 39 | Very low | 39.2 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -71.9 | 107.5 | 164.1 | 172.2 | 0 | 0 | 0 | 0 | 107 | P30 S34 | P30-S32 PolarHBondContact O-N 3.09Å; S32-S34 PolarHBondContact O-N 3.31Å | ||
| 33 | S | 33.3 | Very low | 39.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -65.3 | 80.2 | 165.6 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | V31 | V31-S33 PolarHBondContact O-N 3.31Š| ||
| 34 | S | 37 | Very low | 39.4 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | trans | -152.3 | 87.6 | 160 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | S32 A36 | S32-S34 PolarHBondContact O-N 3.31Å; S34-A36 PolarHBondContact O-N 3.05Å | ||
| 35 | A | 37.3 | Very low | 39.7 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 98% | 0.975 | 79% | 0.785 | S | S | * | * | trans | -68.5 | 69 | 148.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 36 | A | 34.5 | Very low | 40.4 | Very low | 54 Ų | 54 | 138.2 Ų | 138.2 | 45% | 0.446 | 79% | 0.787 | S | S | . | * | trans | -95.8 | 110.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | S34 Y38 | S34-A36 PolarHBondContact O-N 3.05Å; A36-Y38 HydrophobicContact CB-CD2 4.18Å; A36-Y38 HydrophobicContact CB-CE2 4.21Å; A36-Y38 PolarHBondContact O-N 2.92Å | ||
| 37 | S | 35.2 | Very low | 41.3 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -50.2 | 104.9 | 162 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | Y | 37.8 | Very low | 42.4 | Very low | 211 Ų | 211 | 145.2 Ų | 145.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -99.7 | 93.3 | 166.9 | -97.8 | -89.7 | 0 | 0 | 0 | 108.9 | A36 | A36-Y38 HydrophobicContact CB-CD2 4.18Å; A36-Y38 HydrophobicContact CB-CE2 4.21Å; A36-Y38 PolarHBondContact O-N 2.92Å | ||
| 39 | D | 40.3 | Very low | 43.5 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -76.6 | 111.4 | 152.2 | -172 | 20.9 | 0 | 0 | 0 | 107.4 | ||||
| 40 | K | 35.2 | Very low | 44.4 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 163.9 | 105 | 160 | -93.6 | 168.2 | -173.6 | -175.3 | 0 | 109.4 | ||
| 41 | G | 41.5 | Very low | 46.1 | Very low | 74 Ų | 74 | 144.7 Ų | 144.7 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 85.4 | 70.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L43 | G41-L43 PolarHBondContact O-N 2.91Š| ||
| 42 | Q | 42 | Very low | 47.9 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -63.8 | 94.8 | 169 | -81.2 | -179.3 | -3.9 | 0 | 0 | 111 | ||||
| 43 | L | 50.2 | Low | 49.2 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -64.2 | 131.5 | 151.8 | -84 | 156 | 0 | 0 | 0 | 107.6 | G41 R45 | G41-L43 PolarHBondContact O-N 2.91Å; L43-R45 PolarHBondContact O-N 3.46Å; L43-R45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | P | 49.2 | Very low | 51.3 | Low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -60.6 | 126.4 | -178.4 | 24.8 | -32.1 | 0 | 0 | 0 | 108.6 | R46 | P44-R46 VanDerWaalsContact C-N 3.32Å; P44-R46 PolarHBondContact O-N 2.87Å | ||
| 45 | R | 53.5 | Low | 53.4 | Low | 249 Ų | 249 | 143.6 Ų | 143.6 | 94% | 0.94 | 76% | 0.755 | S | S | * | * | trans | -56.5 | 93.2 | 178.1 | -157.9 | 176.6 | -171.6 | 165.7 | 2.4 | 108.6 | L43 R47 | L43-R45 PolarHBondContact O-N 3.46Å; L43-R45 VanDerWaalsContact O-N 3.16Å; R45-R47 PolarHBondContact O-N 3.41Å; R45-R47 VanDerWaalsContact O-N 3.09Å | ||
| 46 | R | 54.1 | Low | 55.2 | Low | 242 Ų | 242 | 141.6 Ų | 141.6 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | -61.3 | 113.4 | -179 | -126 | -179.6 | -176.7 | -178.2 | 1.2 | 107.4 | P44 | P44-R46 VanDerWaalsContact C-N 3.32Å; P44-R46 PolarHBondContact O-N 2.87Å | ||
| 47 | R | 60 | Low | 57.1 | Low | 230 Ų | 230 | 141.8 Ų | 141.8 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.3 | 172.2 | -69.3 | -176.6 | -171.2 | 177.2 | 3.3 | 107.6 | R45 A49 | R45-R47 PolarHBondContact O-N 3.41Å; R45-R47 VanDerWaalsContact O-N 3.09Å; R47-A49 PolarHBondContact O-N 3.35Å |
| 48 | P | 60.3 | Low | 59 | Low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 133.8 | 172.5 | 23.4 | -31.4 | 0 | 0 | 0 | 108.1 | ||
| 49 | A | 60.6 | Low | 60.9 | Low | 89 Ų | 89 | 134.6 Ų | 134.6 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R47 Y51 | R47-A49 PolarHBondContact O-N 3.35Å; A49-Y51 PolarHBondContact O-N 3.45Å |
| 50 | P | 61.8 | Low | 62.8 | Low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 132.8 | 177.2 | 23.5 | -31.9 | 0 | 0 | 0 | 108.9 | V52 | P50-V52 PolarHBondContact O-N 2.98Š|
| 51 | Y | 69.7 | Low | 64.8 | Low | 166 Ų | 166 | 126.8 Ų | 126.8 | 65% | 0.651 | 66% | 0.657 | S | S | * | * | trans | -59.2 | 114.4 | 177.5 | 171.7 | -103.1 | 0 | 0 | 0 | 109.1 | A49 P53 D57 | A49-Y51 PolarHBondContact O-N 3.45Å; Y51-P53 HydrophobicContact CD1-CB 4.45Å; Y51-P53 HydrophobicContact CE1-CB 3.79Å; Y51-P53 VanDerWaalsContact O-CD 3.31Å; Y51-P53 WeakPolarHBondContact O-CD 3.49Å; Y51-D57 WeakPolarHBondContact OH-CB 3.34Å; Y51-D57 PolarHBondContact OH-OD1 3.24Å; Y51-D57 PolarHBondContact OH-OD2 3.24Å | ||
| 52 | V | 73.6 | Confident | 66.5 | Low | 117 Ų | 117 | 128.6 Ų | 128.6 | 71% | 0.709 | 65% | 0.647 | S | S | * | * | trans | -93.9 | 105.3 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | P50 T54 | P50-V52 PolarHBondContact O-N 2.98Å; V52-T54 PolarHBondContact O-N 2.94Å | ||
| 53 | P | 66.6 | Low | 68.4 | Low | 54 Ų | 54 | 122.3 Ų | 122.3 | 35% | 0.351 | 63% | 0.625 | S | S | . | * | trans | -62.9 | 126.8 | -177.3 | 23.2 | -31.6 | 0 | 0 | 0 | 109.7 | Y51 D57 K58 | Y51-P53 HydrophobicContact CD1-CB 4.45Å; Y51-P53 HydrophobicContact CE1-CB 3.79Å; Y51-P53 VanDerWaalsContact O-CD 3.31Å; Y51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-D57 HydrophobicContact CB-CB 4.15Å; P53-K58 HydrophobicContact CB-CG 4.3Å | ||
| 54 | T | 77.4 | Confident | 69.9 | Low | 71 Ų | 71 | 118.8 Ų | 118.8 | 44% | 0.436 | 61% | 0.607 | S | S | . | * | trans | -67.1 | 162.8 | 172.3 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | V52 S56 D57 K58 | V52-T54 PolarHBondContact O-N 2.94Å; T54-S56 PolarHBondContact O-N 2.98Å; T54-S56 PolarHBondContact OG1-OG 3.01Å; T54-D57 WeakPolarHBondContact CB-OD2 3.33Å; T54-D57 PolarHBondContact N-OD2 3.13Å; T54-D57 WeakPolarHBondContact O-CB 3.48Å; T54-D57 PolarHBondContact O-N 3.5Å; T54-D57 PolarHBondContact OG1-N 2.86Å; T54-D57 PolarHBondContact OG1-OD2 3.45Å; T54-K58 PolarHBondContact O-N 3.32Å; T54-K58 VanDerWaalsContact O-N 3.16Å | ||
| 55 | F | 80 | Confident | 71.4 | Confident | 167 Ų | 167 | 119.4 Ų | 119.4 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -56.6 | -38.1 | 176.1 | -178.1 | -99.3 | 0 | 0 | 0 | 111.8 | D57 K58 C59 | F55-D57 VanDerWaalsContact C-N 3.32Å; F55-D57 PolarHBondContact O-N 3.04Å; F55-K58 PolarHBondContact O-N 3.46Å; F55-C59 VanDerWaalsContact CE1-SG 3.51Å; F55-C59 PolarHBondContact O-N 3.34Å; F55-C59 PolarHBondContact O-SG 2.86Å |
| 56 | S | 75.4 | Confident | 72.8 | Confident | 77 Ų | 77 | 111.2 Ų | 111.2 | 54% | 0.538 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.8 | -40.6 | 173.5 | 34 | 0 | 0 | 0 | 0 | 112.8 | T54 K58 C59 L60 | T54-S56 PolarHBondContact O-N 2.98Å; T54-S56 PolarHBondContact OG1-OG 3.01Å; S56-K58 PolarHBondContact O-N 3.22Å; S56-C59 PolarHBondContact O-N 3.41Å; S56-L60 WeakPolarHBondContact O-CB 3.46Å; S56-L60 PolarHBondContact O-N 3.3Å |
| 57 | D | 75 | Confident | 74.2 | Confident | 57 Ų | 57 | 106.8 Ų | 106.8 | 31% | 0.305 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -38.9 | 179.3 | -60.7 | -43.4 | 0 | 0 | 0 | 111.4 | Y51 P53 T54 F55 L60 H61 | Y51-D57 WeakPolarHBondContact OH-CB 3.34Å; Y51-D57 PolarHBondContact OH-OD1 3.24Å; Y51-D57 PolarHBondContact OH-OD2 3.24Å; P53-D57 HydrophobicContact CB-CB 4.15Å; T54-D57 WeakPolarHBondContact CB-OD2 3.33Å; T54-D57 PolarHBondContact N-OD2 3.13Å; T54-D57 WeakPolarHBondContact O-CB 3.48Å; T54-D57 PolarHBondContact O-N 3.5Å; T54-D57 PolarHBondContact OG1-N 2.86Å; T54-D57 PolarHBondContact OG1-OD2 3.45Å; F55-D57 VanDerWaalsContact C-N 3.32Å; F55-D57 PolarHBondContact O-N 3.04Å; D57-L60 PolarHBondContact O-N 3.29Å; D57-H61 VanDerWaalsContact O-CB 3.31Å; D57-H61 WeakPolarHBondContact O-CB 3.48Å; D57-H61 PolarHBondContact O-N 2.84Å |
| 58 | K | 75 | Confident | 75.2 | Confident | 120 Ų | 120 | 99.8 Ų | 99.8 | 52% | 0.522 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 174.8 | -64.9 | -179.8 | -176.3 | 178.4 | 0 | 111.6 | P53 T54 F55 S56 H61 M62 | P53-K58 HydrophobicContact CB-CG 4.3Å; T54-K58 PolarHBondContact O-N 3.32Å; T54-K58 VanDerWaalsContact O-N 3.16Å; F55-K58 PolarHBondContact O-N 3.46Å; S56-K58 PolarHBondContact O-N 3.22Å; K58-H61 PolarHBondContact O-N 3.17Å; K58-M62 WeakPolarHBondContact O-CG 3.37Å; K58-M62 PolarHBondContact O-N 3.17Å |
| 59 | C | 77.4 | Confident | 76.2 | Confident | 61 Ų | 61 | 97.7 Ų | 97.7 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.1 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | F55 S56 H61 M62 S63 | F55-C59 VanDerWaalsContact CE1-SG 3.51Å; F55-C59 PolarHBondContact O-N 3.34Å; F55-C59 PolarHBondContact O-SG 2.86Å; S56-C59 PolarHBondContact O-N 3.41Å; C59-H61 VanDerWaalsContact C-N 3.33Å; C59-H61 PolarHBondContact O-N 3.07Å; C59-M62 PolarHBondContact O-N 3.05Å; C59-S63 PolarHBondContact O-N 3.49Å; C59-S63 PolarHBondContact O-OG 3.5Å |
| 60 | L | 80.4 | Confident | 77.2 | Confident | 108 Ų | 108 | 100 Ų | 100 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 177.1 | -162 | 146.1 | 0 | 0 | 0 | 110.9 | S56 D57 M62 S63 L64 | S56-L60 WeakPolarHBondContact O-CB 3.46Å; S56-L60 PolarHBondContact O-N 3.3Å; D57-L60 PolarHBondContact O-N 3.29Å; L60-M62 PolarHBondContact O-N 3.19Å; L60-S63 WeakPolarHBondContact CA-OG 3.44Å; L60-S63 PolarHBondContact O-N 2.93Å; L60-S63 PolarHBondContact O-OG 2.85Å; L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.38Å |
| 61 | H | 77.8 | Confident | 78.1 | Confident | 76 Ų | 76 | 100.3 Ų | 100.3 | 35% | 0.352 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 174.4 | -163 | -47.9 | 0 | 0 | 0 | 112.5 | D57 K58 C59 R65 | D57-H61 VanDerWaalsContact O-CB 3.31Å; D57-H61 WeakPolarHBondContact O-CB 3.48Å; D57-H61 PolarHBondContact O-N 2.84Å; K58-H61 PolarHBondContact O-N 3.17Å; C59-H61 VanDerWaalsContact C-N 3.33Å; C59-H61 PolarHBondContact O-N 3.07Å; H61-R65 PolarHBondContact CE1-NE 3.41Å; H61-R65 PolarHBondContact CE1-NH2 3.43Å; H61-R65 PolarHBondContact ND1-NE 2.93Å; H61-R65 WeakPolarHBondContact O-CG 3.41Å; H61-R65 PolarHBondContact O-N 3.34Å; H61-R65 VanDerWaalsContact O-N 3.1Å |
| 62 | M | 76.9 | Confident | 78.4 | Confident | 112 Ų | 112 | 94.6 Ų | 94.6 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.2 | -43 | 176.4 | -74.8 | -57.7 | -162.7 | 0 | 0 | 112 | K58 C59 L60 L64 R65 V66 | K58-M62 WeakPolarHBondContact O-CG 3.37Å; K58-M62 PolarHBondContact O-N 3.17Å; C59-M62 PolarHBondContact O-N 3.05Å; L60-M62 PolarHBondContact O-N 3.19Å; M62-L64 VanDerWaalsContact C-N 3.3Å; M62-L64 PolarHBondContact O-N 2.95Å; M62-R65 PolarHBondContact O-N 3.47Å; M62-R65 VanDerWaalsContact O-N 3.15Å; M62-V66 WeakPolarHBondContact O-CG2 3.39Å; M62-V66 PolarHBondContact O-N 2.89Å |
| 63 | S | 81.1 | Confident | 78.6 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 177.4 | 63 | 0 | 0 | 0 | 0 | 112.6 | C59 L60 R67 | C59-S63 PolarHBondContact O-N 3.49Å; C59-S63 PolarHBondContact O-OG 3.5Å; L60-S63 WeakPolarHBondContact CA-OG 3.44Å; L60-S63 PolarHBondContact O-N 2.93Å; L60-S63 PolarHBondContact O-OG 2.85Å; S63-R67 WeakPolarHBondContact O-CB 3.48Å; S63-R67 PolarHBondContact O-N 3.36Å |
| 64 | L | 82.4 | Confident | 79.2 | Confident | 85 Ų | 85 | 99.6 Ų | 99.6 | 45% | 0.445 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 171.6 | -77.9 | 169 | 0 | 0 | 0 | 112 | L60 M62 V66 R67 D68 | L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.38Å; M62-L64 VanDerWaalsContact C-N 3.3Å; M62-L64 PolarHBondContact O-N 2.95Å; L64-V66 PolarHBondContact O-N 3.46Å; L64-R67 PolarHBondContact O-N 3.38Å; L64-D68 PolarHBondContact O-N 2.96Å |
| 65 | R | 81.3 | Confident | 79 | Confident | 124 Ų | 124 | 105.9 Ų | 105.9 | 47% | 0.468 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 176.6 | -75.1 | -178.8 | -179.2 | 175.7 | 4.8 | 111.6 | H61 M62 R67 D68 S69 | H61-R65 PolarHBondContact CE1-NE 3.41Å; H61-R65 PolarHBondContact CE1-NH2 3.43Å; H61-R65 PolarHBondContact ND1-NE 2.93Å; H61-R65 WeakPolarHBondContact O-CG 3.41Å; H61-R65 PolarHBondContact O-N 3.34Å; H61-R65 VanDerWaalsContact O-N 3.1Å; M62-R65 PolarHBondContact O-N 3.47Å; M62-R65 VanDerWaalsContact O-N 3.15Å; R65-R67 VanDerWaalsContact C-N 3.31Å; R65-R67 PolarHBondContact O-N 3.22Å; R65-D68 PolarHBondContact O-N 3.23Å; R65-S69 PolarHBondContact O-N 2.88Å; R65-S69 PolarHBondContact O-OG 3.21Å |
| 66 | V | 81.3 | Confident | 78.9 | Confident | 77 Ų | 77 | 104.4 Ų | 104.4 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | M62 L64 D68 S69 F70 | M62-V66 WeakPolarHBondContact O-CG2 3.39Å; M62-V66 PolarHBondContact O-N 2.89Å; L64-V66 PolarHBondContact O-N 3.46Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.21Å; V66-S69 WeakPolarHBondContact O-CB 3.49Å; V66-S69 PolarHBondContact O-N 2.66Å; V66-F70 HydrophobicContact CG1-CD2 3.65Å; V66-F70 HydrophobicContact CG1-CE2 3.54Å; V66-F70 VanDerWaalsContact O-CD2 3.23Å; V66-F70 WeakPolarHBondContact O-CD2 3.33Å; V66-F70 PolarHBondContact O-N 2.89Å |
| 67 | R | 84.2 | Confident | 79.2 | Confident | 150 Ų | 150 | 103.6 Ų | 103.6 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -39.8 | 178.2 | -175.1 | 177.4 | -179.5 | 173.5 | 3.1 | 112.7 | S63 L64 R65 F70 R71 | S63-R67 WeakPolarHBondContact O-CB 3.48Å; S63-R67 PolarHBondContact O-N 3.36Å; L64-R67 PolarHBondContact O-N 3.38Å; R65-R67 VanDerWaalsContact C-N 3.31Å; R65-R67 PolarHBondContact O-N 3.22Å; R67-F70 PolarHBondContact O-N 3.44Å; R67-R71 PolarHBondContact O-N 2.89Å |
| 68 | D | 81.6 | Confident | 79.6 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.2 | -35.8 | 177.5 | -74.9 | -24.3 | 0 | 0 | 0 | 112 | L64 R65 V66 F70 R71 A72 | L64-D68 PolarHBondContact O-N 2.96Å; R65-D68 PolarHBondContact O-N 3.23Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.21Å; D68-F70 VanDerWaalsContact C-N 3.34Å; D68-F70 PolarHBondContact O-N 2.98Å; D68-R71 PolarHBondContact O-N 3.35Å; D68-R71 IonicContact OD1-CZ 3.9Å; D68-R71 IonicContact OD1-NH1 2.81Å; D68-R71 PolarHBondContact OD1-NH1 3.37Å; D68-A72 PolarHBondContact O-N 3.32Å |
| 69 | S | 80.8 | Confident | 80.1 | Confident | 77 Ų | 77 | 105.8 Ų | 105.8 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 168.8 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | R65 V66 R71 A72 L73 | R65-S69 PolarHBondContact O-N 2.88Å; R65-S69 PolarHBondContact O-OG 3.21Å; V66-S69 WeakPolarHBondContact O-CB 3.49Å; V66-S69 PolarHBondContact O-N 2.66Å; S69-R71 VanDerWaalsContact C-N 3.34Å; S69-R71 PolarHBondContact O-N 3.48Å; S69-A72 PolarHBondContact O-N 2.86Å; S69-L73 WeakPolarHBondContact O-CB 3.49Å; S69-L73 PolarHBondContact O-N 2.86Å |
| 70 | F | 80.8 | Confident | 80.4 | Confident | 138 Ų | 138 | 112.1 Ų | 112.1 | 61% | 0.605 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 175.1 | -87.7 | -70.2 | 0 | 0 | 0 | 112.6 | V66 R67 D68 L73 K74 | V66-F70 HydrophobicContact CG1-CD2 3.65Å; V66-F70 HydrophobicContact CG1-CE2 3.54Å; V66-F70 VanDerWaalsContact O-CD2 3.23Å; V66-F70 WeakPolarHBondContact O-CD2 3.33Å; V66-F70 PolarHBondContact O-N 2.89Å; R67-F70 PolarHBondContact O-N 3.44Å; D68-F70 VanDerWaalsContact C-N 3.34Å; D68-F70 PolarHBondContact O-N 2.98Å; F70-L73 PolarHBondContact O-N 2.96Å; F70-K74 WeakPolarHBondContact O-CB 3.34Å; F70-K74 PolarHBondContact O-N 3.45Å |
| 71 | R | 80.9 | Confident | 80.8 | Confident | 119 Ų | 119 | 109.7 Ų | 109.7 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 174.2 | -79.5 | -176.2 | -174.7 | 137.7 | -5.3 | 112.3 | R67 D68 S69 K74 R75 | R67-R71 PolarHBondContact O-N 2.89Å; D68-R71 PolarHBondContact O-N 3.35Å; D68-R71 IonicContact OD1-CZ 3.9Å; D68-R71 IonicContact OD1-NH1 2.81Å; D68-R71 PolarHBondContact OD1-NH1 3.37Å; S69-R71 VanDerWaalsContact C-N 3.34Å; S69-R71 PolarHBondContact O-N 3.48Å; R71-K74 PolarHBondContact O-N 2.9Å; R71-R75 PolarHBondContact O-N 3.25Å |
| 72 | A | 76.5 | Confident | 81.3 | Confident | 45 Ų | 45 | 111 Ų | 111 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | D68 S69 K74 R75 Y76 | D68-A72 PolarHBondContact O-N 3.32Å; S69-A72 PolarHBondContact O-N 2.86Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 3.42Å; A72-R75 WeakPolarHBondContact O-CB 3.34Å; A72-R75 PolarHBondContact O-N 2.86Å; A72-Y76 WeakPolarHBondContact O-CD2 3.47Å; A72-Y76 PolarHBondContact O-N 2.87Å |
| 73 | L | 77.2 | Confident | 82 | Confident | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56 | -42.8 | 176.4 | -163 | 80.4 | 0 | 0 | 0 | 111.7 | S69 F70 R75 Y76 S77 | S69-L73 WeakPolarHBondContact O-CB 3.49Å; S69-L73 PolarHBondContact O-N 2.86Å; F70-L73 PolarHBondContact O-N 2.96Å; L73-R75 VanDerWaalsContact C-N 3.28Å; L73-R75 PolarHBondContact O-N 3.47Å; L73-Y76 CarbonylContact O-C 3.58Å; L73-Y76 PolarHBondContact O-N 2.92Å; L73-S77 WeakPolarHBondContact O-CB 3.4Å; L73-S77 PolarHBondContact O-N 2.86Å |
| 74 | K | 78.7 | Confident | 82.5 | Confident | 161 Ų | 161 | 106.4 Ų | 106.4 | 70% | 0.7 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -27.2 | 178 | -167.1 | 174.7 | -177.8 | 176.5 | 0 | 113.6 | F70 R71 A72 S77 | F70-K74 WeakPolarHBondContact O-CB 3.34Å; F70-K74 PolarHBondContact O-N 3.45Å; R71-K74 PolarHBondContact O-N 2.9Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 3.42Å; K74-S77 PolarHBondContact O-OG 3.45Å |
| 75 | R | 75 | Confident | 83 | Confident | 203 Ų | 203 | 108.4 Ų | 108.4 | 77% | 0.766 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.1 | -41 | 173.1 | -72.4 | -179.6 | 178.1 | 179.4 | -1 | 111.2 | R71 A72 L73 | R71-R75 PolarHBondContact O-N 3.25Å; A72-R75 WeakPolarHBondContact O-CB 3.34Å; A72-R75 PolarHBondContact O-N 2.86Å; L73-R75 VanDerWaalsContact C-N 3.28Å; L73-R75 PolarHBondContact O-N 3.47Å |
| 76 | Y | 78 | Confident | 83.6 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -78.7 | -22.2 | 178.4 | -64.4 | -70.8 | 0 | 0 | 0 | 113 | A72 L73 L78 L79 W80 | A72-Y76 WeakPolarHBondContact O-CD2 3.47Å; A72-Y76 PolarHBondContact O-N 2.87Å; L73-Y76 CarbonylContact O-C 3.58Å; L73-Y76 PolarHBondContact O-N 2.92Å; Y76-L78 PolarHBondContact O-N 2.81Å; Y76-L79 HydrophobicContact CD1-CD1 4.07Å; Y76-L79 WeakPolarHBondContact O-CB 3.22Å; Y76-L79 PolarHBondContact O-N 3.49Å; Y76-W80 PolarHBondContact O-N 2.8Å |
| 77 | S | 81.4 | Confident | 84.2 | Confident | 59 Ų | 59 | 105.7 Ų | 105.7 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -33.8 | -179.4 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | L73 K74 W80 S81 | L73-S77 WeakPolarHBondContact O-CB 3.4Å; L73-S77 PolarHBondContact O-N 2.86Å; K74-S77 PolarHBondContact O-OG 3.45Å; S77-W80 PolarHBondContact O-N 3.02Å; S77-S81 WeakPolarHBondContact O-CB 3.32Å; S77-S81 PolarHBondContact O-N 3.37Å; S77-S81 PolarHBondContact O-OG 2.85Å |
| 78 | L | 82.7 | Confident | 84.7 | Confident | 113 Ų | 113 | 104.3 Ų | 104.3 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | 174.7 | -113.6 | 159.5 | 0 | 0 | 0 | 111.2 | Y76 W80 S81 I82 | Y76-L78 PolarHBondContact O-N 2.81Å; L78-W80 PolarHBondContact O-N 3.05Å; L78-S81 WeakPolarHBondContact CA-OG 3.5Å; L78-S81 PolarHBondContact O-N 2.88Å; L78-S81 PolarHBondContact O-OG 3.33Å; L78-I82 HydrophobicContact CD2-CD1 4.35Å; L78-I82 WeakPolarHBondContact O-CG1 3.36Å; L78-I82 PolarHBondContact O-N 3.44Å |
| 79 | L | 85.1 | Confident | 85.3 | Confident | 110 Ų | 110 | 106.6 Ų | 106.6 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 176.1 | -69.6 | 170.5 | 0 | 0 | 0 | 111.7 | Y76 S81 I82 A83 | Y76-L79 HydrophobicContact CD1-CD1 4.07Å; Y76-L79 WeakPolarHBondContact O-CB 3.22Å; Y76-L79 PolarHBondContact O-N 3.49Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 2.95Å; L79-I82 PolarHBondContact O-N 2.66Å; L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 3.21Å |
| 80 | W | 85.2 | Confident | 85.8 | Confident | 194 Ų | 194 | 109.3 Ų | 109.3 | 74% | 0.735 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 174.7 | -76.3 | 112.3 | 0 | 0 | 0 | 112.3 | Y76 S77 L78 A83 G84 | Y76-W80 PolarHBondContact O-N 2.8Å; S77-W80 PolarHBondContact O-N 3.02Å; L78-W80 PolarHBondContact O-N 3.05Å; W80-A83 PolarHBondContact O-N 2.84Å; W80-G84 PolarHBondContact O-N 3.5Å |
| 81 | S | 87 | Confident | 86.2 | Confident | 58 Ų | 58 | 104 Ų | 104 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 176.6 | 70.2 | 0 | 0 | 0 | 0 | 112 | S77 L78 L79 G84 M85 | S77-S81 WeakPolarHBondContact O-CB 3.32Å; S77-S81 PolarHBondContact O-N 3.37Å; S77-S81 PolarHBondContact O-OG 2.85Å; L78-S81 WeakPolarHBondContact CA-OG 3.5Å; L78-S81 PolarHBondContact O-N 2.88Å; L78-S81 PolarHBondContact O-OG 3.33Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 2.95Å; S81-G84 PolarHBondContact O-N 2.86Å; S81-M85 WeakPolarHBondContact O-CB 3.47Å; S81-M85 VanDerWaalsContact O-CG 3.24Å; S81-M85 WeakPolarHBondContact O-CG 3.26Å; S81-M85 PolarHBondContact O-N 3.39Å |
| 82 | I | 89.8 | Confident | 86.8 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 177.5 | -66 | 164.2 | 0 | 0 | 0 | 110 | L78 L79 M85 A86 | L78-I82 HydrophobicContact CD2-CD1 4.35Å; L78-I82 WeakPolarHBondContact O-CG1 3.36Å; L78-I82 PolarHBondContact O-N 3.44Å; L79-I82 PolarHBondContact O-N 2.66Å; I82-M85 PolarHBondContact O-N 3.28Å; I82-A86 WeakPolarHBondContact O-CB 3.24Å; I82-A86 PolarHBondContact O-N 3.18Å |
| 83 | A | 90.5 | Very high | 87.4 | Confident | 48 Ų | 48 | 106.6 Ų | 106.6 | 40% | 0.397 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L79 W80 M85 A86 V87 | L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 3.21Å; W80-A83 PolarHBondContact O-N 2.84Å; A83-M85 PolarHBondContact O-N 2.95Å; A83-A86 PolarHBondContact O-N 3.23Å; A83-V87 VanDerWaalsContact O-CG2 3.3Å; A83-V87 WeakPolarHBondContact O-CG2 3.31Å; A83-V87 PolarHBondContact O-N 3.49Å |
| 84 | G | 92.4 | Very high | 87.8 | Confident | 34 Ų | 34 | 103.8 Ų | 103.8 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W80 S81 A86 V87 L88 | W80-G84 PolarHBondContact O-N 3.5Å; S81-G84 PolarHBondContact O-N 2.86Å; G84-A86 PolarHBondContact O-N 3.19Å; G84-V87 PolarHBondContact O-N 3.32Å; G84-L88 WeakPolarHBondContact O-CG 3.36Å; G84-L88 PolarHBondContact O-N 2.89Å |
| 85 | M | 93.4 | Very high | 88.2 | Confident | 127 Ų | 127 | 102.1 Ų | 102.1 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 177 | -73.4 | -59.1 | -64.7 | 0 | 0 | 112.4 | S81 I82 A83 L88 F89 | S81-M85 WeakPolarHBondContact O-CB 3.47Å; S81-M85 VanDerWaalsContact O-CG 3.24Å; S81-M85 WeakPolarHBondContact O-CG 3.26Å; S81-M85 PolarHBondContact O-N 3.39Å; I82-M85 PolarHBondContact O-N 3.28Å; A83-M85 PolarHBondContact O-N 2.95Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 HydrophobicContact SD-CD1 4.46Å; M85-F89 VanDerWaalsContact O-CB 3.28Å; M85-F89 WeakPolarHBondContact O-CB 3.44Å; M85-F89 PolarHBondContact O-N 2.88Å |
| 86 | A | 93.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 98.7 Ų | 98.7 | 32% | 0.322 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I82 A83 G84 L88 F89 F90 | I82-A86 WeakPolarHBondContact O-CB 3.24Å; I82-A86 PolarHBondContact O-N 3.18Å; A83-A86 PolarHBondContact O-N 3.23Å; G84-A86 PolarHBondContact O-N 3.19Å; A86-L88 PolarHBondContact O-N 3.34Å; A86-F89 PolarHBondContact O-N 3.49Å; A86-F90 HydrophobicContact CB-CD2 4.46Å; A86-F90 WeakPolarHBondContact O-CD2 3.29Å; A86-F90 PolarHBondContact O-N 3.29Å |
| 87 | V | 93.7 | Very high | 89.2 | Confident | 106 Ų | 106 | 93.2 Ų | 93.2 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | A83 G84 G91 | A83-V87 VanDerWaalsContact O-CG2 3.3Å; A83-V87 WeakPolarHBondContact O-CG2 3.31Å; A83-V87 PolarHBondContact O-N 3.49Å; G84-V87 PolarHBondContact O-N 3.32Å; V87-G91 WeakPolarHBondContact O-CA 3.47Å; V87-G91 PolarHBondContact O-N 3.02Å |
| 88 | L | 94.9 | Very high | 89.3 | Confident | 120 Ų | 120 | 97.8 Ų | 97.8 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 175.6 | -71.5 | 172.8 | 0 | 0 | 0 | 111.9 | G84 M85 A86 S92 | G84-L88 WeakPolarHBondContact O-CG 3.36Å; G84-L88 PolarHBondContact O-N 2.89Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 HydrophobicContact SD-CD1 4.46Å; A86-L88 PolarHBondContact O-N 3.34Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.25Å; L88-S92 PolarHBondContact O-N 2.92Å; L88-S92 PolarHBondContact O-OG 2.94Å |
| 89 | F | 94.6 | Very high | 89.5 | Confident | 132 Ų | 132 | 102.7 Ų | 102.7 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -52.6 | 178 | -178.3 | -97.2 | 0 | 0 | 0 | 111.9 | M85 A86 G91 S92 Y93 | M85-F89 VanDerWaalsContact O-CB 3.28Å; M85-F89 WeakPolarHBondContact O-CB 3.44Å; M85-F89 PolarHBondContact O-N 2.88Å; A86-F89 PolarHBondContact O-N 3.49Å; F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 2.8Å; F89-S92 PolarHBondContact O-N 3.5Å; F89-S92 PolarHBondContact O-OG 3.41Å; F89-Y93 VanDerWaalsContact O-CB 3.26Å; F89-Y93 WeakPolarHBondContact O-CB 3.42Å; F89-Y93 PolarHBondContact O-N 3.11Å |
| 90 | F | 90.1 | Very high | 89.6 | Confident | 133 Ų | 133 | 102.7 Ų | 102.7 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -35.7 | 177.7 | -73.8 | -67 | 0 | 0 | 0 | 112.3 | A86 T94 | A86-F90 HydrophobicContact CB-CD2 4.46Å; A86-F90 WeakPolarHBondContact O-CD2 3.29Å; A86-F90 PolarHBondContact O-N 3.29Å; F90-T94 WeakPolarHBondContact O-CB 3.39Å; F90-T94 VanDerWaalsContact O-CG2 3.26Å; F90-T94 WeakPolarHBondContact O-CG2 3.43Å; F90-T94 PolarHBondContact O-N 3.45Å; F90-T94 PolarHBondContact O-OG1 3.17Å |
| 91 | G | 90.9 | Very high | 89.4 | Confident | 28 Ų | 28 | 98.3 Ų | 98.3 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V87 F89 T94 L95 | V87-G91 WeakPolarHBondContact O-CA 3.47Å; V87-G91 PolarHBondContact O-N 3.02Å; F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 2.8Å; G91-T94 PolarHBondContact O-N 2.99Å; G91-T94 PolarHBondContact O-OG1 3.43Å; G91-L95 WeakPolarHBondContact O-CB 3.14Å; G91-L95 WeakPolarHBondContact O-CG 3.34Å; G91-L95 PolarHBondContact O-N 2.89Å |
| 92 | S | 92.8 | Very high | 88.9 | Confident | 71 Ų | 71 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.2 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | L88 F89 T94 L95 Y96 | L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.25Å; L88-S92 PolarHBondContact O-N 2.92Å; L88-S92 PolarHBondContact O-OG 2.94Å; F89-S92 PolarHBondContact O-N 3.5Å; F89-S92 PolarHBondContact O-OG 3.41Å; S92-T94 PolarHBondContact O-N 3.45Å; S92-L95 PolarHBondContact O-N 3.27Å; S92-Y96 VanDerWaalsContact O-CB 3.31Å; S92-Y96 WeakPolarHBondContact O-CB 3.43Å; S92-Y96 PolarHBondContact O-N 3.38Å |
| 93 | Y | 89.2 | Confident | 88.2 | Confident | 146 Ų | 146 | 101.7 Ų | 101.7 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.5 | -45.4 | 175.4 | 177.3 | -97.7 | 0 | 0 | 0 | 112.2 | F89 Y96 A97 | F89-Y93 VanDerWaalsContact O-CB 3.26Å; F89-Y93 WeakPolarHBondContact O-CB 3.42Å; F89-Y93 PolarHBondContact O-N 3.11Å; Y93-Y96 PolarHBondContact O-N 3.49Å; Y93-A97 VanDerWaalsContact O-CB 3.32Å; Y93-A97 WeakPolarHBondContact O-CB 3.28Å; Y93-A97 PolarHBondContact O-N 2.87Å |
| 94 | T | 85.1 | Confident | 87.3 | Confident | 57 Ų | 57 | 102.3 Ų | 102.3 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -39 | 179.6 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | F90 G91 S92 A97 R98 I106 | F90-T94 WeakPolarHBondContact O-CB 3.39Å; F90-T94 VanDerWaalsContact O-CG2 3.26Å; F90-T94 WeakPolarHBondContact O-CG2 3.43Å; F90-T94 PolarHBondContact O-N 3.45Å; F90-T94 PolarHBondContact O-OG1 3.17Å; G91-T94 PolarHBondContact O-N 2.99Å; G91-T94 PolarHBondContact O-OG1 3.43Å; S92-T94 PolarHBondContact O-N 3.45Å; T94-A97 PolarHBondContact O-N 3.46Å; T94-R98 WeakPolarHBondContact O-CB 3.26Å; T94-R98 PolarHBondContact O-N 2.8Å; T94-I106 HydrophobicContact CG2-CG2 4.05Å |
| 95 | L | 88 | Confident | 86.2 | Confident | 127 Ų | 127 | 101.9 Ų | 101.9 | 67% | 0.665 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 172.1 | -76 | 167.8 | 0 | 0 | 0 | 111.7 | G91 S92 R98 W99 | G91-L95 WeakPolarHBondContact O-CB 3.14Å; G91-L95 WeakPolarHBondContact O-CG 3.34Å; G91-L95 PolarHBondContact O-N 2.89Å; S92-L95 PolarHBondContact O-N 3.27Å; L95-R98 PolarHBondContact O-N 3.06Å; L95-W99 PolarHBondContact O-N 3.34Å |
| 96 | Y | 89.1 | Confident | 85.1 | Confident | 131 Ų | 131 | 99.1 Ų | 99.1 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.5 | 179.9 | -97.6 | 0 | 0 | 0 | 111.9 | S92 Y93 R98 W99 K100 | S92-Y96 VanDerWaalsContact O-CB 3.31Å; S92-Y96 WeakPolarHBondContact O-CB 3.43Å; S92-Y96 PolarHBondContact O-N 3.38Å; Y93-Y96 PolarHBondContact O-N 3.49Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3.23Å; Y96-W99 PolarHBondContact O-N 3.29Å; Y96-K100 HydrophobicContact CE1-CD 4.05Å; Y96-K100 WeakPolarHBondContact O-CB 3.39Å; Y96-K100 PolarHBondContact O-N 3.36Å |
| 97 | A | 83.7 | Confident | 84.2 | Confident | 21 Ų | 21 | 101 Ų | 101 | 17% | 0.174 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y93 T94 W99 K100 Y101 | Y93-A97 VanDerWaalsContact O-CB 3.32Å; Y93-A97 WeakPolarHBondContact O-CB 3.28Å; Y93-A97 PolarHBondContact O-N 2.87Å; T94-A97 PolarHBondContact O-N 3.46Å; A97-W99 VanDerWaalsContact C-N 3.31Å; A97-W99 PolarHBondContact O-N 3.32Å; A97-K100 PolarHBondContact O-N 3.41Å; A97-Y101 PolarHBondContact O-N 3.2Å |
| 98 | R | 84 | Confident | 83.3 | Confident | 154 Ų | 154 | 102.4 Ų | 102.4 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -35.9 | 176.6 | -168.7 | 169.3 | -178.5 | 128.7 | 0.1 | 112.5 | T94 L95 Y96 P102 I106 | T94-R98 WeakPolarHBondContact O-CB 3.26Å; T94-R98 PolarHBondContact O-N 2.8Å; L95-R98 PolarHBondContact O-N 3.06Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3.23Å; R98-P102 WeakPolarHBondContact O-CA 3.3Å; R98-I106 HydrophobicContact CB-CD1 3.7Å; R98-I106 HydrophobicContact CG-CD1 3.83Å |
| 99 | W | 86.7 | Confident | 82.2 | Confident | 217 Ų | 217 | 105.3 Ų | 105.3 | 82% | 0.822 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.6 | -39.3 | 178.2 | -169.6 | 45.6 | 0 | 0 | 0 | 112.3 | L95 Y96 A97 | L95-W99 PolarHBondContact O-N 3.34Å; Y96-W99 PolarHBondContact O-N 3.29Å; A97-W99 VanDerWaalsContact C-N 3.31Å; A97-W99 PolarHBondContact O-N 3.32Å |
| 100 | K | 86.7 | Confident | 81.4 | Confident | 110 Ų | 110 | 102.6 Ų | 102.6 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.9 | -32.9 | 179.7 | -169.2 | 172.4 | -177.7 | 174.1 | 0 | 113.2 | Y96 A97 | Y96-K100 HydrophobicContact CE1-CD 4.05Å; Y96-K100 WeakPolarHBondContact O-CB 3.39Å; Y96-K100 PolarHBondContact O-N 3.36Å; A97-K100 PolarHBondContact O-N 3.41Å |
| 101 | Y | 81.1 | Confident | 80.9 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | trans | -133.3 | 75.5 | -176.5 | -51.7 | -67.3 | 0 | 0 | 0 | 110.3 | A97 D103 Q104 | A97-Y101 PolarHBondContact O-N 3.2Å; Y101-D103 PolarHBondContact O-N 3.23Å; Y101-Q104 PolarHBondContact O-N 3.47Å | ||
| 102 | P | 75.9 | Confident | 80.3 | Confident | 93 Ų | 93 | 105.7 Ų | 105.7 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.3 | -173.4 | 23.9 | -33.9 | 0 | 0 | 0 | 113.4 | R98 | R98-P102 WeakPolarHBondContact O-CA 3.3Š|
| 103 | D | 75.5 | Confident | 79.8 | Confident | 141 Ų | 141 | 106.1 Ų | 106.1 | 75% | 0.754 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -3.3 | -176 | -53.3 | -45 | 0 | 0 | 0 | 113.4 | Y101 | Y101-D103 PolarHBondContact O-N 3.23Š|
| 104 | Q | 72.2 | Confident | 79.2 | Confident | 60 Ų | 60 | 101.5 Ų | 101.5 | 28% | 0.28 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -89.6 | 130.8 | -179.5 | -70.3 | -169.8 | -23.9 | 0 | 0 | 111.3 | Y101 I106 K127 | Y101-Q104 PolarHBondContact O-N 3.47Å; Q104-I106 PolarHBondContact O-N 3.04Å; Q104-K127 VanDerWaalsContact NE2-NZ 3.13Å |
| 105 | P | 69.7 | Low | 79 | Confident | 26 Ų | 26 | 104.3 Ų | 104.3 | 17% | 0.169 | 48% | 0.482 | C | S | . | . | trans | -64.6 | 128.8 | 175.2 | 27.8 | -36 | 0 | 0 | 0 | 110 | Q110 W111 L114 M124 | P105-Q110 HydrophobicContact CB-CB 3.63Å; P105-W111 HydrophobicContact CG-CB 4.44Å; P105-W111 HydrophobicContact CG-CD2 4.37Å; P105-W111 HydrophobicContact CG-CE3 3.44Å; P105-W111 VanDerWaalsContact CG-CE3 3.44Å; P105-W111 HydrophobicContact CG-CZ3 4.02Å; P105-L114 HydrophobicContact CB-CD1 3.85Å; P105-L114 HydrophobicContact CG-CD1 3.96Å; P105-M124 VanDerWaalsContact CD-SD 3.6Å; P105-M124 HydrophobicContact CG-CE 3.49Å; P105-M124 VanDerWaalsContact CG-CE 3.49Å | ||
| 106 | I | 70.1 | Confident | 78.8 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 35% | 0.349 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -83.6 | -23.1 | -173.3 | -58.2 | 165.5 | 0 | 0 | 0 | 110.6 | T94 R98 Q104 | T94-I106 HydrophobicContact CG2-CG2 4.05Å; R98-I106 HydrophobicContact CB-CD1 3.7Å; R98-I106 HydrophobicContact CG-CD1 3.83Å; Q104-I106 PolarHBondContact O-N 3.04Å |
| 107 | N | 74 | Confident | 78.5 | Confident | 78 Ų | 78 | 104.9 Ų | 104.9 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -129.2 | 160.5 | -179.6 | 85.8 | 15 | 0 | 0 | 0 | 112.8 | Y109 Q110 W111 | N107-Y109 PolarHBondContact O-N 2.99Å; N107-Y109 VanDerWaalsContact OD1-CA 3.29Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.48Å; N107-Y109 VanDerWaalsContact OD1-CB 3.25Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Y109 PolarHBondContact OD1-N 3.42Å; N107-Q110 PolarHBondContact O-N 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CB 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.5Å; N107-Q110 PolarHBondContact OD1-N 3.43Å; N107-W111 PolarHBondContact O-N 3Å |
| 108 | L | 74.3 | Confident | 78.2 | Confident | 136 Ų | 136 | 111.2 Ų | 111.2 | 71% | 0.712 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -26.6 | 177.5 | -72.5 | 164.7 | 0 | 0 | 0 | 113.2 | R112 | L108-R112 PolarHBondContact O-N 2.92Å |
| 109 | Y | 73.6 | Confident | 77.9 | Confident | 181 Ų | 181 | 110.4 Ų | 110.4 | 71% | 0.71 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.4 | -46.7 | 176.2 | -84.5 | -85.8 | 0 | 0 | 0 | 111.8 | N107 W111 R112 T113 | N107-Y109 PolarHBondContact O-N 2.99Å; N107-Y109 VanDerWaalsContact OD1-CA 3.29Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.48Å; N107-Y109 VanDerWaalsContact OD1-CB 3.25Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Y109 PolarHBondContact OD1-N 3.42Å; Y109-W111 VanDerWaalsContact C-N 3.29Å; Y109-W111 PolarHBondContact O-N 3.27Å; Y109-R112 PolarHBondContact O-N 3.47Å; Y109-T113 WeakPolarHBondContact O-CG2 3.3Å; Y109-T113 PolarHBondContact O-N 3.19Å; Y109-T113 PolarHBondContact O-OG1 2.97Å |
| 110 | Q | 76.7 | Confident | 77.2 | Confident | 75 Ų | 75 | 101.4 Ų | 101.4 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.3 | -75.9 | -177.9 | -22.2 | 0 | 0 | 110 | P105 N107 T113 L114 | P105-Q110 HydrophobicContact CB-CB 3.63Å; N107-Q110 PolarHBondContact O-N 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CB 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.5Å; N107-Q110 PolarHBondContact OD1-N 3.43Å; Q110-T113 VanDerWaalsContact CA-OG1 3.24Å; Q110-T113 WeakPolarHBondContact CA-OG1 3.44Å; Q110-T113 PolarHBondContact O-N 2.95Å; Q110-T113 PolarHBondContact O-OG1 2.81Å; Q110-L114 WeakPolarHBondContact O-CB 3.45Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.25Å |
| 111 | W | 79.8 | Confident | 76.8 | Confident | 69 Ų | 69 | 99.8 Ų | 99.8 | 26% | 0.261 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.9 | -53.6 | 172 | -170.7 | -81 | 0 | 0 | 0 | 111.3 | P105 N107 Y109 T113 L114 E115 L120 M124 | P105-W111 HydrophobicContact CG-CB 4.44Å; P105-W111 HydrophobicContact CG-CD2 4.37Å; P105-W111 HydrophobicContact CG-CE3 3.44Å; P105-W111 VanDerWaalsContact CG-CE3 3.44Å; P105-W111 HydrophobicContact CG-CZ3 4.02Å; N107-W111 PolarHBondContact O-N 3Å; Y109-W111 VanDerWaalsContact C-N 3.29Å; Y109-W111 PolarHBondContact O-N 3.27Å; W111-T113 VanDerWaalsContact C-N 3.32Å; W111-T113 PolarHBondContact O-N 3.42Å; W111-L114 PolarHBondContact O-N 2.96Å; W111-E115 WeakPolarHBondContact O-CB 3.48Å; W111-E115 PolarHBondContact O-N 2.92Å; W111-L120 HydrophobicContact CD2-CD2 4.48Å; W111-L120 HydrophobicContact CH2-CD2 3.59Å; W111-L120 HydrophobicContact CZ2-CD2 3.32Å; W111-L120 HydrophobicContact CZ3-CD2 4.31Å; W111-M124 HydrophobicContact CE3-CE 3.89Å; W111-M124 HydrophobicContact CH2-CB 4.25Å; W111-M124 HydrophobicContact CH2-CE 3.9Å; W111-M124 HydrophobicContact CZ3-CE 3.39Å |
| 112 | R | 77.7 | Confident | 76.8 | Confident | 158 Ų | 158 | 100 Ų | 100 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.1 | -36 | 178.9 | -77.1 | -169.9 | -152.8 | 175.1 | 6.2 | 113.4 | L108 Y109 K116 | L108-R112 PolarHBondContact O-N 2.92Å; Y109-R112 PolarHBondContact O-N 3.47Å; R112-K116 WeakPolarHBondContact O-CB 3.34Å; R112-K116 WeakPolarHBondContact O-CG 3.12Å; R112-K116 PolarHBondContact O-N 3.07Å |
| 113 | T | 82.6 | Confident | 77.1 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | Y109 Q110 W111 E115 K116 D117 | Y109-T113 WeakPolarHBondContact O-CG2 3.3Å; Y109-T113 PolarHBondContact O-N 3.19Å; Y109-T113 PolarHBondContact O-OG1 2.97Å; Q110-T113 VanDerWaalsContact CA-OG1 3.24Å; Q110-T113 WeakPolarHBondContact CA-OG1 3.44Å; Q110-T113 PolarHBondContact O-N 2.95Å; Q110-T113 PolarHBondContact O-OG1 2.81Å; W111-T113 VanDerWaalsContact C-N 3.32Å; W111-T113 PolarHBondContact O-N 3.42Å; T113-E115 VanDerWaalsContact C-N 3.32Å; T113-E115 PolarHBondContact O-N 3.25Å; T113-K116 PolarHBondContact O-N 3.05Å; T113-D117 WeakPolarHBondContact O-CB 3.33Å; T113-D117 PolarHBondContact O-N 3.41Å |
| 114 | L | 77.7 | Confident | 77.2 | Confident | 49 Ų | 49 | 96.2 Ų | 96.2 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 176.4 | -70.9 | 168.1 | 0 | 0 | 0 | 111.5 | P105 Q110 W111 D117 D118 K119 L120 M124 | P105-L114 HydrophobicContact CB-CD1 3.85Å; P105-L114 HydrophobicContact CG-CD1 3.96Å; Q110-L114 WeakPolarHBondContact O-CB 3.45Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.25Å; W111-L114 PolarHBondContact O-N 2.96Å; L114-D117 PolarHBondContact O-N 3.23Å; L114-D118 PolarHBondContact O-N 3.08Å; L114-K119 HydrophobicContact CD2-CB 4.17Å; L114-K119 PolarHBondContact O-N 3.39Å; L114-L120 HydrophobicContact CB-CD1 3.6Å; L114-L120 HydrophobicContact CB-CG 4.38Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å; L114-M124 HydrophobicContact CD1-CE 4.49Å |
| 115 | E | 79.5 | Confident | 77.6 | Confident | 116 Ų | 116 | 96.6 Ų | 96.6 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 178 | -174.2 | 177.6 | -157.6 | 0 | 0 | 111.6 | W111 T113 D118 L120 | W111-E115 WeakPolarHBondContact O-CB 3.48Å; W111-E115 PolarHBondContact O-N 2.92Å; T113-E115 VanDerWaalsContact C-N 3.32Å; T113-E115 PolarHBondContact O-N 3.25Å; E115-D118 PolarHBondContact O-N 3.35Å; E115-L120 HydrophobicContact CB-CD1 3.89Å |
| 116 | K | 84.4 | Confident | 78.4 | Confident | 180 Ų | 180 | 99.9 Ų | 99.9 | 78% | 0.783 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.2 | -35.7 | 173.4 | -76.3 | -177.8 | 177.1 | -169.2 | 0 | 113.3 | R112 T113 D118 | R112-K116 WeakPolarHBondContact O-CB 3.34Å; R112-K116 WeakPolarHBondContact O-CG 3.12Å; R112-K116 PolarHBondContact O-N 3.07Å; T113-K116 PolarHBondContact O-N 3.05Å; K116-D118 PolarHBondContact O-N 3.45Å |
| 117 | D | 82.6 | Confident | 79 | Confident | 91 Ų | 91 | 101.4 Ų | 101.4 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.5 | -179.3 | -84.1 | 18.2 | 0 | 0 | 0 | 113.2 | T113 L114 K119 | T113-D117 WeakPolarHBondContact O-CB 3.33Å; T113-D117 PolarHBondContact O-N 3.41Å; L114-D117 PolarHBondContact O-N 3.23Å; D117-K119 HydrophobicContact CB-CB 4.31Å; D117-K119 HydrophobicContact CB-CD 3.92Å; D117-K119 HydrophobicContact CB-CG 4.05Å; D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 VanDerWaalsContact O-N 3.07Å; D117-K119 IonicContact OD2-NZ 2.89Å; D117-K119 PolarHBondContact OD2-NZ 3.23Å |
| 118 | D | 76.9 | Confident | 79.3 | Confident | 154 Ų | 154 | 99.2 Ų | 99.2 | 82% | 0.824 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 25.5 | -174.1 | -130.1 | 4.5 | 0 | 0 | 0 | 113.5 | L114 E115 K116 L120 | L114-D118 PolarHBondContact O-N 3.08Å; E115-D118 PolarHBondContact O-N 3.35Å; K116-D118 PolarHBondContact O-N 3.45Å; D118-L120 VanDerWaalsContact C-N 3.35Å |
| 119 | K | 77.6 | Confident | 79.9 | Confident | 137 Ų | 137 | 99.2 Ų | 99.2 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | trans | -92 | 9 | -178.8 | -75.6 | 173.5 | -168.4 | 153.4 | 0 | 113.1 | L114 D117 T121 | L114-K119 HydrophobicContact CD2-CB 4.17Å; L114-K119 PolarHBondContact O-N 3.39Å; D117-K119 HydrophobicContact CB-CB 4.31Å; D117-K119 HydrophobicContact CB-CD 3.92Å; D117-K119 HydrophobicContact CB-CG 4.05Å; D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 VanDerWaalsContact O-N 3.07Å; D117-K119 IonicContact OD2-NZ 2.89Å; D117-K119 PolarHBondContact OD2-NZ 3.23Å; K119-T121 PolarHBondContact O-N 3.41Å | ||
| 120 | L | 73 | Confident | 80.5 | Confident | 27 Ų | 27 | 97.5 Ų | 97.5 | 14% | 0.141 | 47% | 0.473 | C | S | . | . | trans | -70.5 | 123 | 177.3 | -96 | 96.3 | 0 | 0 | 0 | 110.6 | W111 L114 E115 D118 M124 I125 | W111-L120 HydrophobicContact CD2-CD2 4.48Å; W111-L120 HydrophobicContact CH2-CD2 3.59Å; W111-L120 HydrophobicContact CZ2-CD2 3.32Å; W111-L120 HydrophobicContact CZ3-CD2 4.31Å; L114-L120 HydrophobicContact CB-CD1 3.6Å; L114-L120 HydrophobicContact CB-CG 4.38Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å; E115-L120 HydrophobicContact CB-CD1 3.89Å; D118-L120 VanDerWaalsContact C-N 3.35Å; L120-M124 HydrophobicContact CD2-CB 4.26Å; L120-M124 HydrophobicContact CD2-CE 3.91Å; L120-M124 HydrophobicContact CG-CE 4.01Å; L120-I125 HydrophobicContact CB-CD1 4.08Å; L120-I125 HydrophobicContact CB-CG1 3.9Å; L120-I125 HydrophobicContact CD2-CG1 3.97Å | ||
| 121 | T | 78.8 | Confident | 80.9 | Confident | 76 Ų | 76 | 99.5 Ų | 99.5 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | trans | -64 | 144.9 | 171 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | K119 E123 M124 I125 | K119-T121 PolarHBondContact O-N 3.41Å; T121-E123 PolarHBondContact O-N 3.04Å; T121-E123 VanDerWaalsContact O-N 3.13Å; T121-M124 WeakPolarHBondContact O-CB 3.45Å; T121-M124 PolarHBondContact O-N 3.38Å; T121-I125 PolarHBondContact O-N 3.34Å | ||
| 122 | P | 80.6 | Confident | 81.2 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -29.5 | -178.5 | 22.3 | -32.9 | 0 | 0 | 0 | 112.3 | I125 N126 | P122-I125 PolarHBondContact O-N 3.39Å; P122-N126 WeakPolarHBondContact O-CB 3.28Å; P122-N126 PolarHBondContact O-N 3.47Å |
| 123 | E | 82.2 | Confident | 81.8 | Confident | 141 Ų | 141 | 95.1 Ų | 95.1 | 66% | 0.659 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 173.1 | -72.8 | -162.6 | 157.3 | 0 | 0 | 113.2 | T121 N126 K127 | T121-E123 PolarHBondContact O-N 3.04Å; T121-E123 VanDerWaalsContact O-N 3.13Å; E123-N126 PolarHBondContact O-N 3.48Å; E123-K127 WeakPolarHBondContact O-CG 3.32Å; E123-K127 PolarHBondContact O-N 3.15Å |
| 124 | M | 77.3 | Confident | 81.9 | Confident | 14 Ų | 14 | 97.2 Ų | 97.2 | 7% | 0.069 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 178.3 | -80.6 | -174.8 | 37.3 | 0 | 0 | 111.7 | P105 W111 L114 L120 T121 N126 K127 S128 | P105-M124 VanDerWaalsContact CD-SD 3.6Å; P105-M124 HydrophobicContact CG-CE 3.49Å; P105-M124 VanDerWaalsContact CG-CE 3.49Å; W111-M124 HydrophobicContact CE3-CE 3.89Å; W111-M124 HydrophobicContact CH2-CB 4.25Å; W111-M124 HydrophobicContact CH2-CE 3.9Å; W111-M124 HydrophobicContact CZ3-CE 3.39Å; L114-M124 HydrophobicContact CD1-CE 4.49Å; L120-M124 HydrophobicContact CD2-CB 4.26Å; L120-M124 HydrophobicContact CD2-CE 3.91Å; L120-M124 HydrophobicContact CG-CE 4.01Å; T121-M124 WeakPolarHBondContact O-CB 3.45Å; T121-M124 PolarHBondContact O-N 3.38Å; M124-N126 VanDerWaalsContact C-N 3.26Å; M124-N126 PolarHBondContact O-N 2.92Å; M124-K127 PolarHBondContact O-N 2.84Å; M124-S128 PolarHBondContact O-N 2.92Å |
| 125 | I | 81.4 | Confident | 82.3 | Confident | 68 Ų | 68 | 97.6 Ų | 97.6 | 35% | 0.349 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 174.6 | -60.5 | 172.8 | 0 | 0 | 0 | 110.2 | L120 T121 P122 S128 K129 | L120-I125 HydrophobicContact CB-CD1 4.08Å; L120-I125 HydrophobicContact CB-CG1 3.9Å; L120-I125 HydrophobicContact CD2-CG1 3.97Å; T121-I125 PolarHBondContact O-N 3.34Å; P122-I125 PolarHBondContact O-N 3.39Å; I125-S128 PolarHBondContact O-N 2.91Å; I125-S128 PolarHBondContact O-OG 2.8Å; I125-K129 HydrophobicContact CG2-CD 4.36Å; I125-K129 WeakPolarHBondContact O-CG 3.44Å; I125-K129 PolarHBondContact O-N 3.47Å |
| 126 | N | 85.5 | Confident | 82.8 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.9 | -35.6 | 179.4 | -142.5 | -4.5 | 0 | 0 | 0 | 111.7 | P122 E123 M124 K130 | P122-N126 WeakPolarHBondContact O-CB 3.28Å; P122-N126 PolarHBondContact O-N 3.47Å; E123-N126 PolarHBondContact O-N 3.48Å; M124-N126 VanDerWaalsContact C-N 3.26Å; M124-N126 PolarHBondContact O-N 2.92Å; N126-K130 WeakPolarHBondContact O-CG 3Å; N126-K130 PolarHBondContact O-N 3.19Å; N126-K130 VanDerWaalsContact O-N 3.09Å |
| 127 | K | 82.2 | Confident | 83 | Confident | 101 Ų | 101 | 96.3 Ų | 96.3 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 172.5 | -80.7 | 176.5 | 176.8 | 166.9 | 0 | 112 | Q104 E123 M124 K130 L131 | Q104-K127 VanDerWaalsContact NE2-NZ 3.13Å; E123-K127 WeakPolarHBondContact O-CG 3.32Å; E123-K127 PolarHBondContact O-N 3.15Å; M124-K127 PolarHBondContact O-N 2.84Å; K127-K130 PolarHBondContact O-N 3.31Å; K127-L131 PolarHBondContact O-N 3.49Å |
| 128 | S | 81.8 | Confident | 83 | Confident | 32 Ų | 32 | 96.3 Ų | 96.3 | 22% | 0.224 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | M124 I125 K130 L131 D132 | M124-S128 PolarHBondContact O-N 2.92Å; I125-S128 PolarHBondContact O-N 2.91Å; I125-S128 PolarHBondContact O-OG 2.8Å; S128-K130 VanDerWaalsContact C-N 3.31Å; S128-K130 PolarHBondContact O-N 3.1Å; S128-L131 CarbonylContact O-C 3.59Å; S128-L131 WeakPolarHBondContact O-CA 3.43Å; S128-L131 WeakPolarHBondContact O-CB 3.32Å; S128-L131 PolarHBondContact O-N 3.33Å; S128-D132 PolarHBondContact O-N 2.9Å |
| 129 | K | 85.6 | Confident | 83.5 | Confident | 136 Ų | 136 | 95.9 Ų | 95.9 | 59% | 0.591 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.3 | -41.6 | 175.3 | -73.8 | 179.1 | 180 | -177.2 | 0 | 113 | I125 L131 D132 A133 | I125-K129 HydrophobicContact CG2-CD 4.36Å; I125-K129 WeakPolarHBondContact O-CG 3.44Å; I125-K129 PolarHBondContact O-N 3.47Å; K129-L131 VanDerWaalsContact C-N 3.31Å; K129-D132 PolarHBondContact O-N 3.45Å; K129-A133 WeakPolarHBondContact O-CB 3.23Å; K129-A133 PolarHBondContact O-N 3.26Å |
| 130 | K | 87.2 | Confident | 83.9 | Confident | 145 Ų | 145 | 96.7 Ų | 96.7 | 63% | 0.63 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.6 | -37.3 | 175.2 | -77 | 178 | -178.4 | -179.5 | 0 | 112.1 | N126 K127 S128 F134 | N126-K130 WeakPolarHBondContact O-CG 3Å; N126-K130 PolarHBondContact O-N 3.19Å; N126-K130 VanDerWaalsContact O-N 3.09Å; K127-K130 PolarHBondContact O-N 3.31Å; S128-K130 VanDerWaalsContact C-N 3.31Å; S128-K130 PolarHBondContact O-N 3.1Å; K130-F134 WeakPolarHBondContact O-CB 3.48Å; K130-F134 PolarHBondContact O-N 2.72Å |
| 131 | L | 84.1 | Confident | 84.5 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68 | -45.6 | 178 | -149.7 | 111.3 | 0 | 0 | 0 | 110.8 | K127 S128 K129 A133 F134 V135 | K127-L131 PolarHBondContact O-N 3.49Å; S128-L131 CarbonylContact O-C 3.59Å; S128-L131 WeakPolarHBondContact O-CA 3.43Å; S128-L131 WeakPolarHBondContact O-CB 3.32Å; S128-L131 PolarHBondContact O-N 3.33Å; K129-L131 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 2.93Å; L131-F134 WeakPolarHBondContact O-CA 3.47Å; L131-F134 WeakPolarHBondContact O-CB 3.48Å; L131-F134 PolarHBondContact O-N 3.47Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.62Å |
| 132 | D | 87.2 | Confident | 84.3 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.5 | -67.1 | -28.7 | 0 | 0 | 0 | 110.9 | S128 K129 F134 V135 E136 | S128-D132 PolarHBondContact O-N 2.9Å; K129-D132 PolarHBondContact O-N 3.45Å; D132-F134 PolarHBondContact O-N 2.91Å; D132-V135 PolarHBondContact O-N 2.93Å; D132-E136 WeakPolarHBondContact O-CB 3.31Å; D132-E136 PolarHBondContact O-N 3.38Å |
| 133 | A | 89.3 | Confident | 83.9 | Confident | 37 Ų | 37 | 100.1 Ų | 100.1 | 31% | 0.306 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -25.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | K129 L131 R137 | K129-A133 WeakPolarHBondContact O-CB 3.23Å; K129-A133 PolarHBondContact O-N 3.26Å; L131-A133 PolarHBondContact O-N 2.93Å; A133-R137 WeakPolarHBondContact O-CB 3.37Å; A133-R137 WeakPolarHBondContact O-CG 3.39Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 PolarHBondContact O-NE 3.5Å |
| 134 | F | 86.1 | Confident | 82.7 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.8 | -44.4 | 173.1 | 177.2 | -94.2 | 0 | 0 | 0 | 111.2 | K130 L131 D132 E136 R137 R138 | K130-F134 WeakPolarHBondContact O-CB 3.48Å; K130-F134 PolarHBondContact O-N 2.72Å; L131-F134 WeakPolarHBondContact O-CA 3.47Å; L131-F134 WeakPolarHBondContact O-CB 3.48Å; L131-F134 PolarHBondContact O-N 3.47Å; D132-F134 PolarHBondContact O-N 2.91Å; F134-E136 VanDerWaalsContact C-N 3.34Å; F134-R137 PolarHBondContact O-N 2.77Å; F134-R138 HydrophobicContact CD1-CG 4.45Å; F134-R138 HydrophobicContact CE1-CG 4Å; F134-R138 HydrophobicContact CZ-CG 4.15Å; F134-R138 PolarHBondContact O-N 3.27Å |
| 135 | V | 85.7 | Confident | 82.9 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 35% | 0.345 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L131 D132 R137 R138 K139 | L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.62Å; D132-V135 PolarHBondContact O-N 2.93Å; V135-R137 PolarHBondContact O-N 3.35Å; V135-R138 WeakPolarHBondContact O-CB 3.38Å; V135-R138 PolarHBondContact O-N 3.16Å; V135-K139 WeakPolarHBondContact O-CG 3.5Å; V135-K139 PolarHBondContact O-N 3.01Å |
| 136 | E | 90.1 | Very high | 83 | Confident | 122 Ų | 122 | 106.6 Ų | 106.6 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -39.4 | 179 | -164.1 | 165.7 | -158.1 | 0 | 0 | 111.8 | D132 F134 R138 K139 Q140 | D132-E136 WeakPolarHBondContact O-CB 3.31Å; D132-E136 PolarHBondContact O-N 3.38Å; F134-E136 VanDerWaalsContact C-N 3.34Å; E136-R138 PolarHBondContact O-N 3.02Å; E136-K139 PolarHBondContact O-N 3.02Å; E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 3.06Å |
| 137 | R | 87.6 | Confident | 82.9 | Confident | 147 Ų | 147 | 107.3 Ų | 107.3 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 171.3 | -83.3 | -177.1 | -81.9 | -162.7 | -3.4 | 112.5 | A133 F134 V135 Q140 I141 | A133-R137 WeakPolarHBondContact O-CB 3.37Å; A133-R137 WeakPolarHBondContact O-CG 3.39Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 PolarHBondContact O-NE 3.5Å; F134-R137 PolarHBondContact O-N 2.77Å; V135-R137 PolarHBondContact O-N 3.35Å; R137-Q140 PolarHBondContact O-N 3.25Å; R137-I141 WeakPolarHBondContact O-CD1 3.46Å; R137-I141 VanDerWaalsContact O-CG1 3.24Å; R137-I141 WeakPolarHBondContact O-CG1 3.31Å; R137-I141 PolarHBondContact O-N 3.03Å |
| 138 | R | 83.6 | Confident | 82.9 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 34% | 0.343 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 176.1 | -79.3 | -106.6 | -62.9 | -162.6 | 1.1 | 112.5 | F134 V135 E136 I141 G142 I143 D144 | F134-R138 HydrophobicContact CD1-CG 4.45Å; F134-R138 HydrophobicContact CE1-CG 4Å; F134-R138 HydrophobicContact CZ-CG 4.15Å; F134-R138 PolarHBondContact O-N 3.27Å; V135-R138 WeakPolarHBondContact O-CB 3.38Å; V135-R138 PolarHBondContact O-N 3.16Å; E136-R138 PolarHBondContact O-N 3.02Å; R138-I141 PolarHBondContact O-N 2.92Å; R138-G142 PolarHBondContact O-N 2.76Å; R138-I143 PolarHBondContact O-N 3.26Å; R138-D144 IonicContact CZ-OD1 3.69Å; R138-D144 IonicContact CZ-OD2 3.64Å; R138-D144 IonicContact NE-OD1 3.17Å; R138-D144 IonicContact NE-OD2 3.89Å; R138-D144 PolarHBondContact NE-OD2 3.16Å; R138-D144 IonicContact NH2-OD1 3.38Å; R138-D144 PolarHBondContact NH2-OD1 3.48Å; R138-D144 IonicContact NH2-OD2 2.78Å; R138-D144 PolarHBondContact NH2-OD2 3.09Å |
| 139 | K | 86.6 | Confident | 83 | Confident | 145 Ų | 145 | 112.4 Ų | 112.4 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.3 | -43.6 | 174.2 | -76.4 | -177.5 | 177 | -178.3 | 0 | 112.1 | V135 E136 I141 G142 | V135-K139 WeakPolarHBondContact O-CG 3.5Å; V135-K139 PolarHBondContact O-N 3.01Å; E136-K139 PolarHBondContact O-N 3.02Å; K139-I141 VanDerWaalsContact C-N 3.25Å; K139-I141 PolarHBondContact O-N 3.29Å; K139-G142 PolarHBondContact O-N 3.29Å; K139-G142 VanDerWaalsContact O-N 3.09Å |
| 140 | Q | 86 | Confident | 82.8 | Confident | 153 Ų | 153 | 110.8 Ų | 110.8 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.3 | -29.8 | 178.3 | -73.2 | 177.9 | 0.9 | 0 | 0 | 113.2 | E136 R137 G142 | E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 3.06Å; R137-Q140 PolarHBondContact O-N 3.25Å; Q140-G142 VanDerWaalsContact C-N 3.3Å |
| 141 | I | 86.2 | Confident | 82.5 | Confident | 122 Ų | 122 | 108.4 Ų | 108.4 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -83.6 | -7.6 | 177.7 | -56.7 | 161.3 | 0 | 0 | 0 | 111.4 | R137 R138 K139 I143 | R137-I141 WeakPolarHBondContact O-CD1 3.46Å; R137-I141 VanDerWaalsContact O-CG1 3.24Å; R137-I141 WeakPolarHBondContact O-CG1 3.31Å; R137-I141 PolarHBondContact O-N 3.03Å; R138-I141 PolarHBondContact O-N 2.92Å; K139-I141 VanDerWaalsContact C-N 3.25Å; K139-I141 PolarHBondContact O-N 3.29Å; I141-I143 HydrophobicContact CB-CD1 4.11Å; I141-I143 HydrophobicContact CB-CG1 4.28Å; I141-I143 HydrophobicContact CG2-CD1 3.53Å; I141-I143 HydrophobicContact CG2-CG1 3.86Å |
| 142 | G | 73.6 | Confident | 82.4 | Confident | 62 Ų | 62 | 107.8 Ų | 107.8 | 64% | 0.639 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 26.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R138 K139 Q140 D144 | R138-G142 PolarHBondContact O-N 2.76Å; K139-G142 PolarHBondContact O-N 3.29Å; K139-G142 VanDerWaalsContact O-N 3.09Å; Q140-G142 VanDerWaalsContact C-N 3.3Å; G142-D144 VanDerWaalsContact C-N 3.34Å |
| 143 | I | 73.6 | Confident | 82 | Confident | 96 Ų | 96 | 108.5 Ų | 108.5 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | trans | -88 | -6.4 | -179.1 | -65.2 | 172.6 | 0 | 0 | 0 | 111.9 | R138 I141 | R138-I143 PolarHBondContact O-N 3.26Å; I141-I143 HydrophobicContact CB-CD1 4.11Å; I141-I143 HydrophobicContact CB-CG1 4.28Å; I141-I143 HydrophobicContact CG2-CD1 3.53Å; I141-I143 HydrophobicContact CG2-CG1 3.86Å | ||
| 144 | D | 55.5 | Low | 81.3 | Confident | 147 Ų | 147 | 115 Ų | 115 | 79% | 0.786 | 57% | 0.567 | S | S | * | * | trans | -126.4 | 0 | 174.8 | -66.9 | -51 | 0 | 0 | 0 | 111 | R138 G142 | R138-D144 IonicContact CZ-OD1 3.69Å; R138-D144 IonicContact CZ-OD2 3.64Å; R138-D144 IonicContact NE-OD1 3.17Å; R138-D144 IonicContact NE-OD2 3.89Å; R138-D144 PolarHBondContact NE-OD2 3.16Å; R138-D144 IonicContact NH2-OD1 3.38Å; R138-D144 PolarHBondContact NH2-OD1 3.48Å; R138-D144 IonicContact NH2-OD2 2.78Å; R138-D144 PolarHBondContact NH2-OD2 3.09Å; G142-D144 VanDerWaalsContact C-N 3.34Å |
Retrieved 144 of 144 residues in 35.3 ms
(Link to these results)