| 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 | 41 | Very low | 40.3 | Very low | 247 Ų | 247 | 141.3 Ų | 141.3 | 100% | 1.217 | 83% | 0.829 | S | S | * | * | 0 | 129.4 | 0 | -60.2 | -179.7 | -156.9 | 0 | 0 | 106.7 | |||||
| 2 | G | 41.6 | Very low | 39.8 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | 68.7 | 129.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 3 | A | 43 | Very low | 39.5 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | cis | 58.5 | 133.8 | 13.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 4 | E | 45.6 | Very low | 39.2 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | cis | -165.2 | -175.6 | -3.4 | 50.8 | -167.1 | 103.1 | 0 | 0 | 108.7 | ||||
| 5 | Q | 43.8 | Very low | 38.7 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | cis | -152.2 | -147.6 | 16.6 | -148.8 | -175.5 | 78.7 | 0 | 0 | 112.7 | ||||
| 6 | S | 46.3 | Very low | 38.7 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -86.6 | 169.3 | -166.5 | -55.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 7 | G | 32.9 | Very low | 38.3 | Very low | 81 Ų | 81 | 147.1 Ų | 147.1 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -172.5 | 104.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 8 | D | 37.8 | Very low | 38.3 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -96 | 150.1 | -175.3 | -177.2 | 24.7 | 0 | 0 | 0 | 112.7 | ||||
| 9 | S | 40.7 | Very low | 38.3 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -173.7 | 95.9 | 165.2 | -80.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 10 | E | 33.2 | Very low | 38.4 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 21 | 112.3 | 146 | -63 | -178.9 | 79.8 | 0 | 0 | 120.6 | ||||
| 11 | H | 36.9 | Very low | 38.8 | Very low | 197 Ų | 197 | 141 Ų | 141 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -93.1 | 107.7 | 153.3 | -103.4 | 60.6 | 0 | 0 | 0 | 110.5 | H13 | H11-H13 PolarHBondContact O-N 3.2Š| ||
| 12 | K | 34.6 | Very low | 39 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -79.7 | 85.5 | -180 | -166.7 | 173.3 | -175 | 174.6 | 0 | 111.6 | T14 | K12-T14 PolarHBondContact O-N 3.01Š| ||
| 13 | H | 36.6 | Very low | 39.2 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | trans | -63.2 | 125.2 | 172.4 | -143.7 | -103.9 | 0 | 0 | 0 | 109.5 | H11 D15 | H11-H13 PolarHBondContact O-N 3.2Å; H13-D15 IonicContact ND1-OD1 2.81Å | ||
| 14 | T | 34.1 | Very low | 39.6 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -98.3 | 97.4 | -176.1 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | K12 Y16 | K12-T14 PolarHBondContact O-N 3.01Å; T14-Y16 PolarHBondContact O-N 3.2Å | ||
| 15 | D | 32.4 | Very low | 39.9 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 114.3 | -177.6 | -69.4 | -33.8 | 0 | 0 | 0 | 111.7 | H13 S17 | H13-D15 IonicContact ND1-OD1 2.81Å; D15-S17 PolarHBondContact O-N 3.33Å | ||
| 16 | Y | 38.6 | Very low | 40.5 | Very low | 223 Ų | 223 | 137.2 Ų | 137.2 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 103.2 | 175 | -134.2 | -93.5 | 0 | 0 | 0 | 108.9 | T14 S18 | T14-Y16 PolarHBondContact O-N 3.2Å; Y16-S18 PolarHBondContact O-N 3.34Å | ||
| 17 | S | 32.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -64.2 | 92.4 | 177.3 | -81.5 | 0 | 0 | 0 | 0 | 112 | D15 S19 | D15-S17 PolarHBondContact O-N 3.33Å; S17-S19 PolarHBondContact O-N 2.88Å | ||
| 18 | S | 38.1 | Very low | 42.7 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -73.6 | 112.3 | 165.6 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | Y16 V20 | Y16-S18 PolarHBondContact O-N 3.34Å; S18-V20 PolarHBondContact O-N 2.91Å | ||
| 19 | S | 37.8 | Very low | 43.9 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 92.6 | 176 | -168.3 | 0 | 0 | 0 | 0 | 110 | S17 V21 | S17-S19 PolarHBondContact O-N 2.88Å; S19-V21 PolarHBondContact O-N 3.09Å | ||
| 20 | V | 41.2 | Very low | 45.4 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 104.5 | 173 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | S18 | S18-V20 PolarHBondContact O-N 2.91Š| ||
| 21 | V | 46.3 | Very low | 46.6 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | trans | -60.2 | 127 | 164.7 | -94.7 | 0 | 0 | 0 | 0 | 109.6 | S19 S23 | S19-V21 PolarHBondContact O-N 3.09Å; V21-S23 PolarHBondContact O-N 2.91Å | ||
| 22 | P | 45 | Very low | 47.8 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -74.6 | 112 | 179 | 28.4 | -31.7 | 0 | 0 | 0 | 110.1 | ||||
| 23 | S | 46.5 | Very low | 49 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 140.7 | 167.7 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | V21 A25 | V21-S23 PolarHBondContact O-N 2.91Å; S23-A25 PolarHBondContact O-N 2.81Å |
| 24 | P | 50.5 | Low | 50.3 | Low | 126 Ų | 126 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.9 | -178.5 | 23.7 | -33.2 | 0 | 0 | 0 | 110.5 | K26 | P24-K26 PolarHBondContact O-N 3.12Š|
| 25 | A | 52.1 | Low | 51.7 | Low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.2 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | S23 Q27 | S23-A25 PolarHBondContact O-N 2.81Å; A25-Q27 PolarHBondContact O-N 3.22Å |
| 26 | K | 55.3 | Low | 53.4 | Low | 207 Ų | 207 | 137.3 Ų | 137.3 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | trans | -61.5 | 95.5 | 176.5 | -65.7 | -179.2 | -179.9 | -179.2 | 0 | 109.7 | P24 K28 | P24-K26 PolarHBondContact O-N 3.12Å; K26-K28 PolarHBondContact O-N 2.98Å; K26-K28 VanDerWaalsContact O-N 3.12Å | ||
| 27 | Q | 61.8 | Low | 54.6 | Low | 193 Ų | 193 | 132.5 Ų | 132.5 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -60.6 | 114.8 | 168.4 | -74.3 | 179.7 | -25.9 | 0 | 0 | 107.8 | A25 A29 | A25-Q27 PolarHBondContact O-N 3.22Å; Q27-A29 PolarHBondContact O-N 3.39Å | ||
| 28 | K | 65.3 | Low | 56.2 | Low | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 118.5 | 170 | -68.6 | -175.5 | 177.3 | -177.2 | 0 | 107.4 | K26 | K26-K28 PolarHBondContact O-N 2.98Å; K26-K28 VanDerWaalsContact O-N 3.12Å |
| 29 | A | 63.2 | Low | 57 | Low | 82 Ų | 82 | 135.2 Ų | 135.2 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q27 D33 | Q27-A29 PolarHBondContact O-N 3.39Å; A29-D33 HydrophobicContact CB-CB 4.46Å |
| 30 | K | 72.2 | Confident | 57.8 | Low | 158 Ų | 158 | 132.6 Ų | 132.6 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 162.2 | 175 | -66.5 | -176.6 | 178.9 | -179.1 | 0 | 109.4 | D32 D33 | K30-D32 PolarHBondContact O-N 3.08Å; K30-D33 WeakPolarHBondContact O-CB 3.5Å; K30-D33 PolarHBondContact O-N 3.36Å |
| 31 | M | 58.2 | Low | 58.5 | Low | 164 Ų | 164 | 133.2 Ų | 133.2 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -60.5 | -29.4 | 179.8 | -82.1 | -175.1 | 135.3 | 0 | 0 | 113.3 | D33 I34 | M31-D33 PolarHBondContact O-N 3.43Å; M31-I34 HydrophobicContact CG-CD1 4.39Å; M31-I34 WeakPolarHBondContact O-CB 3.38Å; M31-I34 WeakPolarHBondContact O-CG1 3.4Å; M31-I34 PolarHBondContact O-N 3.41Å |
| 32 | D | 60.5 | Low | 58.9 | Low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -71.2 | -11.2 | 176.8 | -47.3 | -65.8 | 0 | 0 | 0 | 113.8 | K30 I34 | K30-D32 PolarHBondContact O-N 3.08Å; D32-I34 VanDerWaalsContact C-N 3.28Å |
| 33 | D | 60.4 | Low | 59.3 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -85.7 | -3.7 | 175.9 | -146.1 | 15.5 | 0 | 0 | 0 | 111.5 | A29 K30 M31 V35 | A29-D33 HydrophobicContact CB-CB 4.46Å; K30-D33 WeakPolarHBondContact O-CB 3.5Å; K30-D33 PolarHBondContact O-N 3.36Å; M31-D33 PolarHBondContact O-N 3.43Å; D33-V35 PolarHBondContact O-N 3.49Å; D33-V35 VanDerWaalsContact O-N 3.15Å |
| 34 | I | 63.8 | Low | 59.7 | Low | 110 Ų | 110 | 137.5 Ų | 137.5 | 56% | 0.564 | 76% | 0.764 | S | S | * | * | trans | -83.7 | 88 | 177.8 | -54.6 | 174.1 | 0 | 0 | 0 | 109.2 | M31 D32 V36 | M31-I34 HydrophobicContact CG-CD1 4.39Å; M31-I34 WeakPolarHBondContact O-CB 3.38Å; M31-I34 WeakPolarHBondContact O-CG1 3.4Å; M31-I34 PolarHBondContact O-N 3.41Å; D32-I34 VanDerWaalsContact C-N 3.28Å; I34-V36 HydrophobicContact CG2-CG2 4.21Å; I34-V36 PolarHBondContact O-N 2.8Å | ||
| 35 | V | 64.4 | Low | 60.1 | Low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -68.5 | 100.1 | 165.2 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | D33 V37 | D33-V35 PolarHBondContact O-N 3.49Å; D33-V35 VanDerWaalsContact O-N 3.15Å; V35-V37 VanDerWaalsContact C-N 3.33Å; V35-V37 PolarHBondContact O-N 2.8Å | ||
| 36 | V | 67.5 | Low | 60.4 | Low | 124 Ų | 124 | 139.8 Ų | 139.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | -68.8 | 94.3 | 168.8 | -179 | 0 | 0 | 0 | 0 | 108 | I34 A38 | I34-V36 HydrophobicContact CG2-CG2 4.21Å; I34-V36 PolarHBondContact O-N 2.8Å; V36-A38 PolarHBondContact O-N 2.99Å | ||
| 37 | V | 63.7 | Low | 60.8 | Low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | trans | -56.9 | 124.9 | 166.9 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | V35 Q39 | V35-V37 VanDerWaalsContact C-N 3.33Å; V35-V37 PolarHBondContact O-N 2.8Å; V37-Q39 PolarHBondContact O-N 3.13Å | ||
| 38 | A | 65.8 | Low | 61 | Low | 82 Ų | 82 | 133.7 Ų | 133.7 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -49.7 | 138.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | V36 G40 | V36-A38 PolarHBondContact O-N 2.99Å; A38-G40 PolarHBondContact O-N 3.25Å | ||
| 39 | Q | 55.8 | Low | 61.2 | Low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 71% | 0.709 | S | S | * | * | trans | -51.8 | 109.6 | 178.3 | -74 | -176.5 | -11.2 | 0 | 0 | 108.8 | V37 T41 | V37-Q39 PolarHBondContact O-N 3.13Å; Q39-T41 PolarHBondContact O-N 2.9Å | ||
| 40 | G | 54.1 | Low | 62.1 | Low | 62 Ų | 62 | 127.7 Ų | 127.7 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | trans | -54.6 | 131.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A38 Q42 | A38-G40 PolarHBondContact O-N 3.25Å; G40-Q42 PolarHBondContact O-N 3.44Å | ||
| 41 | T | 56.6 | Low | 62.5 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 82% | 0.816 | 68% | 0.678 | S | S | * | * | trans | -55.4 | 107.3 | -179.1 | 29.2 | 0 | 0 | 0 | 0 | 109 | Q39 S43 | Q39-T41 PolarHBondContact O-N 2.9Å; T41-S43 PolarHBondContact O-N 3.4Å | ||
| 42 | Q | 53.6 | Low | 63.6 | Low | 189 Ų | 189 | 120.3 Ų | 120.3 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -71.3 | 62.3 | 166.9 | -66.7 | -167.5 | 36.6 | 0 | 0 | 108.9 | G40 L44 | G40-Q42 PolarHBondContact O-N 3.44Å; Q42-L44 PolarHBondContact O-N 3.34Å | ||
| 43 | S | 55.1 | Low | 64.7 | Low | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | trans | -49.7 | 128.1 | 146.7 | 54.7 | 0 | 0 | 0 | 0 | 106.1 | T41 R45 | T41-S43 PolarHBondContact O-N 3.4Å; S43-R45 PolarHBondContact O-N 3.49Å; S43-R45 WeakPolarHBondContact OG-CG 3.5Å | ||
| 44 | L | 54.6 | Low | 65.9 | Low | 184 Ų | 184 | 112.6 Ų | 112.6 | 96% | 0.963 | 62% | 0.622 | S | S | * | * | trans | -65.6 | 66.1 | 172.5 | -70.9 | 158.8 | 0 | 0 | 0 | 109.1 | Q42 N46 | Q42-L44 PolarHBondContact O-N 3.34Å; L44-N46 PolarHBondContact O-N 2.88Å; L44-N46 VanDerWaalsContact O-N 3.1Å | ||
| 45 | R | 57.7 | Low | 66.8 | Low | 175 Ų | 175 | 112.8 Ų | 112.8 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | trans | -64.2 | 113.3 | 166.8 | -64.5 | -167.8 | -178.4 | -165.2 | -0.7 | 104.7 | S43 I47 | S43-R45 PolarHBondContact O-N 3.49Å; S43-R45 WeakPolarHBondContact OG-CG 3.5Å; R45-I47 VanDerWaalsContact C-N 3.32Å; R45-I47 PolarHBondContact O-N 2.97Å | ||
| 46 | N | 59.1 | Low | 67.6 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | trans | -57.9 | 104.3 | 165.7 | -174.8 | -11.2 | 0 | 0 | 0 | 106.1 | L44 Q48 N49 | L44-N46 PolarHBondContact O-N 2.88Å; L44-N46 VanDerWaalsContact O-N 3.1Å; N46-Q48 PolarHBondContact O-N 3.23Å; N46-Q48 VanDerWaalsContact OD1-CB 3.31Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.28Å; N46-Q48 PolarHBondContact OD1-N 2.78Å; N46-N49 HydrophobicContact CB-CB 4.49Å; N46-N49 WeakPolarHBondContact O-CB 3.45Å; N46-N49 PolarHBondContact O-N 2.85Å | ||
| 47 | I | 63.5 | Low | 68.2 | Low | 126 Ų | 126 | 113.7 Ų | 113.7 | 65% | 0.646 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -57.6 | -26.8 | -170.3 | -62.1 | 169.8 | 0 | 0 | 0 | 110.5 | R45 N49 D50 V53 | R45-I47 VanDerWaalsContact C-N 3.32Å; R45-I47 PolarHBondContact O-N 2.97Å; I47-N49 PolarHBondContact O-N 2.9Å; I47-D50 PolarHBondContact O-N 2.94Å; I47-V53 HydrophobicContact CG2-CG2 4.32Å |
| 48 | Q | 65.3 | Low | 69.1 | Low | 145 Ų | 145 | 114.8 Ų | 114.8 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -67 | -17.1 | 176 | -155.8 | 166 | 2.6 | 0 | 0 | 114.1 | N46 | N46-Q48 PolarHBondContact O-N 3.23Å; N46-Q48 VanDerWaalsContact OD1-CB 3.31Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.28Å; N46-Q48 PolarHBondContact OD1-N 2.78Å |
| 49 | N | 70.8 | Confident | 69.9 | Low | 114 Ų | 114 | 115.3 Ų | 115.3 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -108.4 | 6.5 | 178.5 | -64.7 | -12.4 | 0 | 0 | 0 | 112.9 | N46 I47 | N46-N49 HydrophobicContact CB-CB 4.49Å; N46-N49 WeakPolarHBondContact O-CB 3.45Å; N46-N49 PolarHBondContact O-N 2.85Å; I47-N49 PolarHBondContact O-N 2.9Å |
| 50 | D | 81.2 | Confident | 70.8 | Confident | 39 Ų | 39 | 110.3 Ų | 110.3 | 21% | 0.209 | 58% | 0.582 | C | S | . | * | trans | -73.9 | 125.4 | 177.2 | -168.2 | -64.3 | 0 | 0 | 0 | 109.8 | I47 D52 V53 I54 | I47-D50 PolarHBondContact O-N 2.94Å; D50-D52 PolarHBondContact O-N 2.99Å; D50-D52 VanDerWaalsContact O-N 3.17Å; D50-D52 PolarHBondContact OD1-N 3.16Å; D50-D52 VanDerWaalsContact OD1-N 3.08Å; D50-V53 HydrophobicContact CB-CB 4.11Å; D50-V53 HydrophobicContact CB-CG2 3.85Å; D50-V53 PolarHBondContact O-N 3.15Å; D50-V53 VanDerWaalsContact O-N 3.12Å; D50-I54 WeakPolarHBondContact O-CG1 3.48Å; D50-I54 PolarHBondContact O-N 3.39Å | ||
| 51 | P | 81.7 | Confident | 71.8 | Confident | 78 Ų | 78 | 114 Ų | 114 | 51% | 0.506 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.8 | -25.6 | -172.2 | 25.9 | -36.1 | 0 | 0 | 0 | 113.6 | K55 | P51-K55 VanDerWaalsContact O-CG 3.29Å; P51-K55 WeakPolarHBondContact O-CG 3.2Å; P51-K55 PolarHBondContact O-N 2.94Å |
| 52 | D | 81.1 | Confident | 72.4 | Confident | 90 Ų | 90 | 116.3 Ų | 116.3 | 48% | 0.481 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -84.2 | -31.6 | 178.3 | -66.9 | -25 | 0 | 0 | 0 | 111.3 | D50 I54 K55 L56 | D50-D52 PolarHBondContact O-N 2.99Å; D50-D52 VanDerWaalsContact O-N 3.17Å; D50-D52 PolarHBondContact OD1-N 3.16Å; D50-D52 VanDerWaalsContact OD1-N 3.08Å; D52-I54 VanDerWaalsContact C-N 3.35Å; D52-K55 PolarHBondContact O-N 3.27Å; D52-K55 IonicContact OD1-NZ 3.2Å; D52-K55 PolarHBondContact OD1-NZ 3.03Å; D52-L56 WeakPolarHBondContact O-CB 3.43Å; D52-L56 WeakPolarHBondContact O-CD1 3.49Å; D52-L56 WeakPolarHBondContact O-CG 3.44Å; D52-L56 PolarHBondContact O-N 3.04Å |
| 53 | V | 83 | Confident | 73.1 | Confident | 46 Ų | 46 | 114 Ų | 114 | 28% | 0.279 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -38.8 | 170.5 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | I47 D50 L56 Q57 | I47-V53 HydrophobicContact CG2-CG2 4.32Å; D50-V53 HydrophobicContact CB-CB 4.11Å; D50-V53 HydrophobicContact CB-CG2 3.85Å; D50-V53 PolarHBondContact O-N 3.15Å; D50-V53 VanDerWaalsContact O-N 3.12Å; V53-L56 WeakPolarHBondContact O-CB 3.37Å; V53-L56 PolarHBondContact O-N 3.06Å; V53-Q57 PolarHBondContact O-N 3.15Å; V53-Q57 VanDerWaalsContact O-N 3.12Å |
| 54 | I | 85.2 | Confident | 73.5 | Confident | 68 Ų | 68 | 114 Ų | 114 | 35% | 0.349 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -50.2 | 175.5 | -66.8 | 166.7 | 0 | 0 | 0 | 110.5 | D50 D52 L56 Q57 E58 | D50-I54 WeakPolarHBondContact O-CG1 3.48Å; D50-I54 PolarHBondContact O-N 3.39Å; D52-I54 VanDerWaalsContact C-N 3.35Å; I54-L56 VanDerWaalsContact C-N 3.25Å; I54-L56 PolarHBondContact O-N 2.95Å; I54-Q57 WeakPolarHBondContact O-CA 3.47Å; I54-Q57 WeakPolarHBondContact O-CB 3.42Å; I54-Q57 PolarHBondContact O-N 3.06Å; I54-E58 PolarHBondContact O-N 3.41Å; I54-E58 VanDerWaalsContact O-N 3.07Å |
| 55 | K | 84.1 | Confident | 74 | Confident | 115 Ų | 115 | 113 Ų | 113 | 50% | 0.5 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.3 | -36.8 | 175.5 | -69.2 | 168 | -159 | 156.6 | 0 | 112.6 | P51 D52 Q57 E58 I59 | P51-K55 VanDerWaalsContact O-CG 3.29Å; P51-K55 WeakPolarHBondContact O-CG 3.2Å; P51-K55 PolarHBondContact O-N 2.94Å; D52-K55 PolarHBondContact O-N 3.27Å; D52-K55 IonicContact OD1-NZ 3.2Å; D52-K55 PolarHBondContact OD1-NZ 3.03Å; K55-Q57 VanDerWaalsContact C-N 3.3Å; K55-Q57 PolarHBondContact O-N 3.45Å; K55-E58 PolarHBondContact O-N 3.46Å; K55-I59 PolarHBondContact O-N 2.69Å |
| 56 | L | 81.1 | Confident | 74.1 | Confident | 119 Ų | 119 | 109.3 Ų | 109.3 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.3 | -31.5 | 174.8 | -87.9 | 155.1 | 0 | 0 | 0 | 112.6 | D52 V53 I54 I59 | D52-L56 WeakPolarHBondContact O-CB 3.43Å; D52-L56 WeakPolarHBondContact O-CD1 3.49Å; D52-L56 WeakPolarHBondContact O-CG 3.44Å; D52-L56 PolarHBondContact O-N 3.04Å; V53-L56 WeakPolarHBondContact O-CB 3.37Å; V53-L56 PolarHBondContact O-N 3.06Å; I54-L56 VanDerWaalsContact C-N 3.25Å; I54-L56 PolarHBondContact O-N 2.95Å; L56-I59 HydrophobicContact CD2-CD1 4.12Å |
| 57 | Q | 79.1 | Confident | 74.2 | Confident | 148 Ų | 148 | 108.9 Ų | 108.9 | 69% | 0.692 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -77.1 | -26.2 | 172.8 | -69.7 | -178.1 | 13.9 | 0 | 0 | 113.3 | V53 I54 K55 I59 | V53-Q57 PolarHBondContact O-N 3.15Å; V53-Q57 VanDerWaalsContact O-N 3.12Å; I54-Q57 WeakPolarHBondContact O-CA 3.47Å; I54-Q57 WeakPolarHBondContact O-CB 3.42Å; I54-Q57 PolarHBondContact O-N 3.06Å; K55-Q57 VanDerWaalsContact C-N 3.3Å; K55-Q57 PolarHBondContact O-N 3.45Å; Q57-I59 VanDerWaalsContact C-N 3.27Å; Q57-I59 PolarHBondContact O-N 2.91Å |
| 58 | E | 83.1 | Confident | 73.9 | Confident | 144 Ų | 144 | 105.5 Ų | 105.5 | 67% | 0.673 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.9 | -16.2 | 174.8 | -68.7 | 176.8 | 169.3 | 0 | 0 | 113.3 | I54 K55 P60 | I54-E58 PolarHBondContact O-N 3.41Å; I54-E58 VanDerWaalsContact O-N 3.07Å; K55-E58 PolarHBondContact O-N 3.46Å; E58-P60 WeakPolarHBondContact O-CD 3.35Å |
| 59 | I | 81.8 | Confident | 73.4 | Confident | 94 Ų | 94 | 104 Ų | 104 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -66 | 121.9 | 176.2 | -61.1 | 174.7 | 0 | 0 | 0 | 109.5 | K55 L56 Q57 T61 | K55-I59 PolarHBondContact O-N 2.69Å; L56-I59 HydrophobicContact CD2-CD1 4.12Å; Q57-I59 VanDerWaalsContact C-N 3.27Å; Q57-I59 PolarHBondContact O-N 2.91Å; I59-T61 PolarHBondContact O-N 3.25Å |
| 60 | P | 76.1 | Confident | 72.7 | Confident | 91 Ų | 91 | 105.3 Ų | 105.3 | 59% | 0.591 | 56% | 0.564 | S | S | * | * | trans | -57.4 | 123.1 | 175.3 | -24.7 | 34.9 | 0 | 0 | 0 | 111 | E58 F62 | E58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-F62 VanDerWaalsContact O-CD2 3.24Å; P60-F62 WeakPolarHBondContact O-CD2 3.22Å; P60-F62 WeakPolarHBondContact O-CE2 3.36Å; P60-F62 PolarHBondContact O-N 2.93Å; P60-F62 VanDerWaalsContact O-N 3.11Å | ||
| 61 | T | 75.2 | Confident | 71.3 | Confident | 140 Ų | 140 | 107.6 Ų | 107.6 | 86% | 0.859 | 58% | 0.583 | S | S | * | * | trans | -76 | 104.3 | -179.1 | 47.8 | 0 | 0 | 0 | 0 | 110.5 | I59 Q63 | I59-T61 PolarHBondContact O-N 3.25Å; T61-Q63 PolarHBondContact O-N 3.41Å | ||
| 62 | F | 68.3 | Low | 70.1 | Confident | 181 Ų | 181 | 107.8 Ų | 107.8 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123.8 | 173.2 | -60.1 | -81 | 0 | 0 | 0 | 109.9 | P60 | P60-F62 VanDerWaalsContact O-CD2 3.24Å; P60-F62 WeakPolarHBondContact O-CD2 3.22Å; P60-F62 WeakPolarHBondContact O-CE2 3.36Å; P60-F62 PolarHBondContact O-N 2.93Å; P60-F62 VanDerWaalsContact O-N 3.11Å |
| 63 | Q | 67.4 | Low | 68.7 | Low | 140 Ų | 140 | 110.7 Ų | 110.7 | 65% | 0.654 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 134.1 | 172.1 | -66.8 | -179.6 | -19.6 | 0 | 0 | 109 | T61 L65 | T61-Q63 PolarHBondContact O-N 3.41Å; Q63-L65 PolarHBondContact O-N 3.06Å |
| 64 | P | 64.4 | Low | 67.1 | Low | 67 Ų | 67 | 117.2 Ų | 117.2 | 44% | 0.435 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 137.6 | 177.5 | 25.2 | -33.8 | 0 | 0 | 0 | 109.9 | L66 K67 L70 | P64-L66 CarbonylContact O-C 3.59Å; P64-L66 PolarHBondContact O-N 2.96Å; P64-L66 VanDerWaalsContact O-N 3.14Å; P64-K67 PolarHBondContact O-N 3.09Å; P64-L70 HydrophobicContact CB-CD1 4.45Å |
| 65 | L | 64.3 | Low | 65.4 | Low | 163 Ų | 163 | 118.1 Ų | 118.1 | 85% | 0.853 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -53.5 | -36.4 | -179.8 | -65.7 | 170.9 | 0 | 0 | 0 | 111.7 | Q63 | Q63-L65 PolarHBondContact O-N 3.06Š|
| 66 | L | 60.6 | Low | 63.9 | Low | 98 Ų | 98 | 118.6 Ų | 118.6 | 51% | 0.513 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -102.6 | 89.7 | 168.1 | -65.2 | 105.5 | 0 | 0 | 0 | 110.7 | P64 G68 V69 L81 | P64-L66 CarbonylContact O-C 3.59Å; P64-L66 PolarHBondContact O-N 2.96Å; P64-L66 VanDerWaalsContact O-N 3.14Å; L66-G68 PolarHBondContact O-N 3.46Å; L66-V69 HydrophobicContact CB-CG2 3.98Å; L66-V69 HydrophobicContact CD2-CG2 4.47Å; L66-L81 HydrophobicContact CD2-CD1 4.08Å |
| 67 | K | 60.2 | Low | 62.5 | Low | 81 Ų | 81 | 115.4 Ų | 115.4 | 35% | 0.352 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | 120.7 | 166.9 | -63.1 | 179.1 | -174.4 | 169.8 | 0 | 108.9 | P64 S77 L79 | P64-K67 PolarHBondContact O-N 3.09Å; K67-S77 WeakPolarHBondContact O-CB 3.36Å; K67-S77 PolarHBondContact O-OG 2.98Å; K67-S77 VanDerWaalsContact O-OG 3.14Å; K67-L79 HydrophobicContact CB-CD1 4.27Å; K67-L79 HydrophobicContact CD-CD1 3.62Å; K67-L79 HydrophobicContact CD-CG 4.3Å; K67-L79 HydrophobicContact CG-CD1 3.86Å |
| 68 | G | 57.9 | Low | 61.2 | Low | 55 Ų | 55 | 114.3 Ų | 114.3 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.8 | -11.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L66 | L66-G68 PolarHBondContact O-N 3.46Š|
| 69 | V | 55.9 | Low | 59.7 | Low | 113 Ų | 113 | 111.4 Ų | 111.4 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -88.9 | -28 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 113.1 | L66 | L66-V69 HydrophobicContact CB-CG2 3.98Å; L66-V69 HydrophobicContact CD2-CG2 4.47Å |
| 70 | L | 54.7 | Low | 58.4 | Low | 142 Ų | 142 | 112.3 Ų | 112.3 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -103.4 | 2.8 | -167.4 | -71.4 | 169.1 | 0 | 0 | 0 | 115.3 | P64 | P64-L70 HydrophobicContact CB-CD1 4.45Š|
| 71 | S | 52.7 | Low | 57.4 | Low | 86 Ų | 86 | 113.4 Ų | 113.4 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -148.9 | 125.7 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | Q73 | S71-Q73 PolarHBondContact O-N 2.93Š|
| 72 | G | 55.2 | Low | 56.9 | Low | 82 Ų | 82 | 115.9 Ų | 115.9 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -68.5 | 27.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 73 | Q | 52.1 | Low | 57 | Low | 151 Ų | 151 | 117.9 Ų | 117.9 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | -94.5 | 100.5 | 168.9 | -70.8 | -88.3 | -78.5 | 0 | 0 | 107.3 | S71 S75 | S71-Q73 PolarHBondContact O-N 2.93Å; Q73-S75 PolarHBondContact O-N 3.24Å | ||
| 74 | M | 50.1 | Low | 57.3 | Low | 183 Ų | 183 | 118.5 Ų | 118.5 | 90% | 0.901 | 68% | 0.676 | S | S | * | * | trans | -72.1 | 56.7 | 169.2 | -73.4 | 91.8 | 78.6 | 0 | 0 | 111.6 | ||||
| 75 | S | 50.4 | Low | 58.3 | Low | 88 Ų | 88 | 118.8 Ų | 118.8 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | trans | -69.8 | 125.8 | 156.8 | 56.6 | 0 | 0 | 0 | 0 | 107.1 | Q73 S77 | Q73-S75 PolarHBondContact O-N 3.24Å; S75-S77 PolarHBondContact O-N 3.11Å | ||
| 76 | P | 52.4 | Low | 59.5 | Low | 125 Ų | 125 | 115.7 Ų | 115.7 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | trans | -66.8 | 104.4 | -179.5 | 26.1 | -32.8 | 0 | 0 | 0 | 108.5 | S78 | P76-S78 PolarHBondContact O-N 3.43Š| ||
| 77 | S | 50.6 | Low | 61.1 | Low | 52 Ų | 52 | 113.9 Ų | 113.9 | 36% | 0.364 | 67% | 0.665 | S | S | . | * | trans | -62.3 | 110.7 | 172.8 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | K67 S75 L79 | K67-S77 WeakPolarHBondContact O-CB 3.36Å; K67-S77 PolarHBondContact O-OG 2.98Å; K67-S77 VanDerWaalsContact O-OG 3.14Å; S75-S77 PolarHBondContact O-N 3.11Å; S77-L79 PolarHBondContact O-N 3.24Å | ||
| 78 | S | 52.4 | Low | 62.7 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -66.4 | 6.5 | 175.5 | 48.9 | 0 | 0 | 0 | 0 | 114 | P76 C80 | P76-S78 PolarHBondContact O-N 3.43Å; S78-C80 VanDerWaalsContact C-N 3.26Å; S78-C80 PolarHBondContact O-N 2.89Å |
| 79 | L | 51.1 | Low | 64.4 | Low | 83 Ų | 83 | 116.6 Ų | 116.6 | 44% | 0.435 | 67% | 0.668 | S | S | . | * | trans | -71.7 | 85.6 | 159 | -61.4 | -177.4 | 0 | 0 | 0 | 108.5 | K67 S77 L81 | K67-L79 HydrophobicContact CB-CD1 4.27Å; K67-L79 HydrophobicContact CD-CD1 3.62Å; K67-L79 HydrophobicContact CD-CG 4.3Å; K67-L79 HydrophobicContact CG-CD1 3.86Å; S77-L79 PolarHBondContact O-N 3.24Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 2.99Å | ||
| 80 | C | 53.6 | Low | 66.3 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 76% | 0.757 | 66% | 0.663 | S | S | * | * | trans | -59.5 | 102.1 | 159.9 | -170.7 | 0 | 0 | 0 | 0 | 107.1 | S78 E82 | S78-C80 VanDerWaalsContact C-N 3.26Å; S78-C80 PolarHBondContact O-N 2.89Å; C80-E82 PolarHBondContact O-N 3.47Å; C80-E82 VanDerWaalsContact O-N 3.16Å | ||
| 81 | L | 56.1 | Low | 68.3 | Low | 115 Ų | 115 | 115.7 Ų | 115.7 | 60% | 0.602 | 66% | 0.656 | S | S | * | * | trans | -56.2 | 121.4 | 165.3 | -69.1 | 172.4 | 0 | 0 | 0 | 106.3 | L66 L79 R83 | L66-L81 HydrophobicContact CD2-CD1 4.08Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 2.99Å; L81-R83 PolarHBondContact O-N 3.44Å | ||
| 82 | E | 64.1 | Low | 70.4 | Confident | 192 Ų | 192 | 116.6 Ų | 116.6 | 90% | 0.897 | 65% | 0.654 | S | S | * | * | trans | -57 | 101.8 | -177.3 | -168.9 | 170.2 | -150.8 | 0 | 0 | 108.4 | C80 L84 | C80-E82 PolarHBondContact O-N 3.47Å; C80-E82 VanDerWaalsContact O-N 3.16Å; E82-L84 PolarHBondContact O-N 3.22Å | ||
| 83 | R | 70.8 | Confident | 72.5 | Confident | 222 Ų | 222 | 116.1 Ų | 116.1 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | trans | -69.1 | 124.7 | -175.1 | -67.2 | -174.1 | 67.6 | 167.4 | 0.7 | 106.7 | L81 D85 | L81-R83 PolarHBondContact O-N 3.44Å; R83-D85 PolarHBondContact O-N 3.45Å; R83-D85 VanDerWaalsContact O-N 3.1Å | ||
| 84 | L | 73.9 | Confident | 74.7 | Confident | 153 Ų | 153 | 112.7 Ų | 112.7 | 80% | 0.801 | 62% | 0.622 | S | S | * | * | trans | -48.3 | 122 | 170.3 | -69.3 | 172.7 | 0 | 0 | 0 | 108.8 | E82 S86 V89 | E82-L84 PolarHBondContact O-N 3.22Å; L84-S86 PolarHBondContact O-N 2.95Å; L84-S86 VanDerWaalsContact O-N 3.1Å; L84-V89 HydrophobicContact CB-CG2 4.12Å | ||
| 85 | D | 86.3 | Confident | 77 | Confident | 74 Ų | 74 | 112 Ų | 112 | 40% | 0.396 | 61% | 0.61 | S | S | . | * | trans | -62.2 | 113.6 | 178.9 | 175.6 | 2.6 | 0 | 0 | 0 | 109 | R83 A87 Q88 V89 | R83-D85 PolarHBondContact O-N 3.45Å; R83-D85 VanDerWaalsContact O-N 3.1Å; D85-A87 PolarHBondContact O-N 2.91Å; D85-A87 WeakPolarHBondContact OD1-CB 3.39Å; D85-A87 PolarHBondContact OD1-N 3.04Å; D85-Q88 HydrophobicContact CB-CB 4.18Å; D85-Q88 HydrophobicContact CB-CG 4.26Å; D85-Q88 PolarHBondContact O-N 3.41Å; D85-Q88 VanDerWaalsContact O-N 3.12Å; D85-Q88 WeakPolarHBondContact OD2-CG 3.36Å; D85-Q88 PolarHBondContact OD2-NE2 3.44Å; D85-V89 WeakPolarHBondContact O-CG2 3.49Å; D85-V89 PolarHBondContact O-N 3.37Å | ||
| 86 | S | 89.2 | Confident | 79.2 | Confident | 97 Ų | 97 | 114.6 Ų | 114.6 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.4 | -25.2 | -176.6 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | L84 L90 | L84-S86 PolarHBondContact O-N 2.95Å; L84-S86 VanDerWaalsContact O-N 3.1Å; S86-L90 VanDerWaalsContact O-CB 3.29Å; S86-L90 WeakPolarHBondContact O-CB 3.33Å; S86-L90 PolarHBondContact O-N 3.15Å |
| 87 | A | 93.4 | Very high | 81.4 | Confident | 60 Ų | 60 | 115.1 Ų | 115.1 | 50% | 0.496 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.6 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D85 L90 Q91 | D85-A87 PolarHBondContact O-N 2.91Å; D85-A87 WeakPolarHBondContact OD1-CB 3.39Å; D85-A87 PolarHBondContact OD1-N 3.04Å; A87-L90 PolarHBondContact O-N 2.97Å; A87-Q91 WeakPolarHBondContact O-CB 3.42Å; A87-Q91 PolarHBondContact O-N 2.95Å |
| 88 | Q | 93.3 | Very high | 83.7 | Confident | 128 Ų | 128 | 116.3 Ų | 116.3 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 177.3 | -73.6 | 177.6 | 72.6 | 0 | 0 | 112.3 | D85 Q91 L92 | D85-Q88 HydrophobicContact CB-CB 4.18Å; D85-Q88 HydrophobicContact CB-CG 4.26Å; D85-Q88 PolarHBondContact O-N 3.41Å; D85-Q88 VanDerWaalsContact O-N 3.12Å; D85-Q88 WeakPolarHBondContact OD2-CG 3.36Å; D85-Q88 PolarHBondContact OD2-NE2 3.44Å; Q88-Q91 PolarHBondContact O-N 3.27Å; Q88-L92 PolarHBondContact O-N 2.91Å |
| 89 | V | 94.1 | Very high | 85.9 | Confident | 65 Ų | 65 | 115.3 Ų | 115.3 | 39% | 0.394 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.5 | -43.7 | 174.1 | 177.2 | 0 | 0 | 0 | 0 | 111 | L84 D85 Q91 L92 C93 | L84-V89 HydrophobicContact CB-CG2 4.12Å; D85-V89 WeakPolarHBondContact O-CG2 3.49Å; D85-V89 PolarHBondContact O-N 3.37Å; V89-Q91 PolarHBondContact O-N 2.96Å; V89-L92 WeakPolarHBondContact O-CB 3.49Å; V89-L92 PolarHBondContact O-N 3.37Å; V89-C93 PolarHBondContact O-N 3.44Å; V89-C93 PolarHBondContact O-SG 2.96Å; V89-C93 VanDerWaalsContact O-SG 3.35Å |
| 90 | L | 95.9 | Very high | 88.2 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62 | -43.4 | 175.4 | 178.5 | 61 | 0 | 0 | 0 | 111.9 | S86 A87 L92 C93 I94 | S86-L90 VanDerWaalsContact O-CB 3.29Å; S86-L90 WeakPolarHBondContact O-CB 3.33Å; S86-L90 PolarHBondContact O-N 3.15Å; A87-L90 PolarHBondContact O-N 2.97Å; L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 PolarHBondContact O-N 3.26Å; L90-C93 WeakPolarHBondContact O-CB 3.44Å; L90-C93 PolarHBondContact O-N 2.93Å; L90-C93 VanDerWaalsContact O-N 3.16Å; L90-I94 HydrophobicContact CD1-CD1 4.24Å; L90-I94 HydrophobicContact CD1-CG1 4.4Å; L90-I94 HydrophobicContact CG-CD1 4.02Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.29Å |
| 91 | Q | 97 | Very high | 90.3 | Very high | 127 Ų | 127 | 115.4 Ų | 115.4 | 59% | 0.593 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.4 | -35.4 | 177.4 | -172 | 177.3 | -0.4 | 0 | 0 | 112.4 | A87 Q88 V89 R95 | A87-Q91 WeakPolarHBondContact O-CB 3.42Å; A87-Q91 PolarHBondContact O-N 2.95Å; Q88-Q91 PolarHBondContact O-N 3.27Å; V89-Q91 PolarHBondContact O-N 2.96Å; Q91-R95 PolarHBondContact O-N 3.26Å; Q91-R95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 96.9 | Very high | 92.4 | Very high | 106 Ų | 106 | 115.6 Ų | 115.6 | 56% | 0.555 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.9 | -45.4 | 171.5 | 178 | 61.9 | 0 | 0 | 0 | 111.5 | Q88 V89 L90 I94 R95 Y96 | Q88-L92 PolarHBondContact O-N 2.91Å; V89-L92 WeakPolarHBondContact O-CB 3.49Å; V89-L92 PolarHBondContact O-N 3.37Å; L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 PolarHBondContact O-N 3.26Å; L92-I94 PolarHBondContact O-N 3.11Å; L92-R95 PolarHBondContact O-N 3.44Å; L92-Y96 WeakPolarHBondContact O-CB 3.45Å; L92-Y96 PolarHBondContact O-N 3.26Å |
| 93 | C | 98.1 | Very high | 94 | Very high | 72 Ų | 72 | 109.2 Ų | 109.2 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.6 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | V89 L90 Y96 Q97 | V89-C93 PolarHBondContact O-N 3.44Å; V89-C93 PolarHBondContact O-SG 2.96Å; V89-C93 VanDerWaalsContact O-SG 3.35Å; L90-C93 WeakPolarHBondContact O-CB 3.44Å; L90-C93 PolarHBondContact O-N 2.93Å; L90-C93 VanDerWaalsContact O-N 3.16Å; C93-Y96 PolarHBondContact O-N 3.41Å; C93-Q97 WeakPolarHBondContact O-CB 3.4Å; C93-Q97 PolarHBondContact O-N 3Å |
| 94 | I | 98.3 | Very high | 95.3 | Very high | 79 Ų | 79 | 101.4 Ų | 101.4 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 177.6 | -67.4 | 165.6 | 0 | 0 | 0 | 110.5 | L90 L92 Y96 Q97 D98 | L90-I94 HydrophobicContact CD1-CD1 4.24Å; L90-I94 HydrophobicContact CD1-CG1 4.4Å; L90-I94 HydrophobicContact CG-CD1 4.02Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.29Å; L92-I94 PolarHBondContact O-N 3.11Å; I94-Y96 PolarHBondContact O-N 3.1Å; I94-Q97 WeakPolarHBondContact O-CB 3.33Å; I94-Q97 PolarHBondContact O-N 3.43Å; I94-Q97 VanDerWaalsContact O-N 3.11Å; I94-D98 PolarHBondContact O-N 2.85Å |
| 95 | R | 98.4 | Very high | 96.5 | Very high | 168 Ų | 168 | 99.5 Ų | 99.5 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.4 | -37.2 | 176 | -81.1 | 171.6 | 31.5 | 125.4 | 2.5 | 113.1 | Q91 L92 H99 | Q91-R95 PolarHBondContact O-N 3.26Å; Q91-R95 VanDerWaalsContact O-N 3.1Å; L92-R95 PolarHBondContact O-N 3.44Å; R95-H99 WeakPolarHBondContact O-CB 3.43Å; R95-H99 PolarHBondContact O-N 3.28Å; R95-H99 VanDerWaalsContact O-N 3.08Å |
| 96 | Y | 98.4 | Very high | 97.1 | Very high | 143 Ų | 143 | 98.5 Ų | 98.5 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.3 | -39.7 | 178.4 | -174.7 | -117.7 | 0 | 0 | 0 | 111.8 | L92 C93 I94 H99 L100 | L92-Y96 WeakPolarHBondContact O-CB 3.45Å; L92-Y96 PolarHBondContact O-N 3.26Å; C93-Y96 PolarHBondContact O-N 3.41Å; I94-Y96 PolarHBondContact O-N 3.1Å; Y96-H99 PolarHBondContact O-N 2.93Å; Y96-L100 HydrophobicContact CD1-CD1 3.97Å; Y96-L100 HydrophobicContact CD1-CG 4.44Å; Y96-L100 HydrophobicContact CD2-CG 4.48Å; Y96-L100 HydrophobicContact CE1-CD1 3.47Å; Y96-L100 VanDerWaalsContact CE1-CD1 3.47Å; Y96-L100 HydrophobicContact CE1-CG 4.1Å; Y96-L100 HydrophobicContact CE2-CD1 4.37Å; Y96-L100 HydrophobicContact CE2-CD2 4.22Å; Y96-L100 HydrophobicContact CE2-CG 4.11Å; Y96-L100 WeakPolarHBondContact O-CB 3.42Å; Y96-L100 WeakPolarHBondContact O-CG 3.42Å; Y96-L100 PolarHBondContact O-N 3.09Å |
| 97 | Q | 98.4 | Very high | 97.5 | Very high | 135 Ų | 135 | 97.5 Ų | 97.5 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59 | -48.3 | 171.6 | 176.6 | -179 | -22.4 | 0 | 0 | 111.4 | C93 I94 H99 L100 H101 | C93-Q97 WeakPolarHBondContact O-CB 3.4Å; C93-Q97 PolarHBondContact O-N 3Å; I94-Q97 WeakPolarHBondContact O-CB 3.33Å; I94-Q97 PolarHBondContact O-N 3.43Å; I94-Q97 VanDerWaalsContact O-N 3.11Å; Q97-H99 VanDerWaalsContact C-N 3.33Å; Q97-H99 PolarHBondContact O-N 3.02Å; Q97-L100 PolarHBondContact O-N 3.38Å; Q97-H101 WeakPolarHBondContact O-CB 3.42Å; Q97-H101 PolarHBondContact O-N 3.24Å |
| 98 | D | 98.6 | Very high | 97.8 | Very high | 78 Ų | 78 | 96.7 Ų | 96.7 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 178.4 | -65 | -26 | 0 | 0 | 0 | 111.5 | I94 H101 Q102 | I94-D98 PolarHBondContact O-N 2.85Å; D98-H101 PolarHBondContact O-N 3.15Å; D98-Q102 WeakPolarHBondContact O-CG 3.46Å; D98-Q102 PolarHBondContact O-N 3Å |
| 99 | H | 98.6 | Very high | 98 | Very high | 104 Ų | 104 | 97.8 Ų | 97.8 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 177.1 | -179.4 | 52.8 | 0 | 0 | 0 | 112.5 | R95 Y96 Q97 H101 Q102 C103 | R95-H99 WeakPolarHBondContact O-CB 3.43Å; R95-H99 PolarHBondContact O-N 3.28Å; R95-H99 VanDerWaalsContact O-N 3.08Å; Y96-H99 PolarHBondContact O-N 2.93Å; Q97-H99 VanDerWaalsContact C-N 3.33Å; Q97-H99 PolarHBondContact O-N 3.02Å; H99-H101 VanDerWaalsContact C-N 3.28Å; H99-H101 PolarHBondContact O-N 3.49Å; H99-Q102 PolarHBondContact O-N 3.49Å; H99-C103 VanDerWaalsContact CE1-SG 3.52Å; H99-C103 WeakPolarHBondContact O-CB 3.31Å; H99-C103 PolarHBondContact O-N 3.26Å; H99-C103 PolarHBondContact O-SG 3.01Å; H99-C103 VanDerWaalsContact O-SG 3.35Å |
| 100 | L | 98.7 | Very high | 98.2 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 174.9 | -74.1 | -177.3 | 0 | 0 | 0 | 112 | Y96 Q97 C103 A104 | Y96-L100 HydrophobicContact CD1-CD1 3.97Å; Y96-L100 HydrophobicContact CD1-CG 4.44Å; Y96-L100 HydrophobicContact CD2-CG 4.48Å; Y96-L100 HydrophobicContact CE1-CD1 3.47Å; Y96-L100 VanDerWaalsContact CE1-CD1 3.47Å; Y96-L100 HydrophobicContact CE1-CG 4.1Å; Y96-L100 HydrophobicContact CE2-CD1 4.37Å; Y96-L100 HydrophobicContact CE2-CD2 4.22Å; Y96-L100 HydrophobicContact CE2-CG 4.11Å; Y96-L100 WeakPolarHBondContact O-CB 3.42Å; Y96-L100 WeakPolarHBondContact O-CG 3.42Å; Y96-L100 PolarHBondContact O-N 3.09Å; Q97-L100 PolarHBondContact O-N 3.38Å; L100-C103 PolarHBondContact O-N 3.16Å; L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 2.97Å |
| 101 | H | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -50.3 | 176 | -171.9 | 52 | 0 | 0 | 0 | 111.3 | Q97 D98 H99 C103 A104 E105 | Q97-H101 WeakPolarHBondContact O-CB 3.42Å; Q97-H101 PolarHBondContact O-N 3.24Å; D98-H101 PolarHBondContact O-N 3.15Å; H99-H101 VanDerWaalsContact C-N 3.28Å; H99-H101 PolarHBondContact O-N 3.49Å; H101-C103 VanDerWaalsContact C-N 3.31Å; H101-C103 PolarHBondContact O-N 3.48Å; H101-A104 WeakPolarHBondContact O-CB 3.35Å; H101-A104 PolarHBondContact O-N 3.33Å; H101-A104 VanDerWaalsContact O-N 3.07Å; H101-E105 IonicContact NE2-OE1 3.67Å; H101-E105 WeakPolarHBondContact O-CG 3.47Å; H101-E105 PolarHBondContact O-N 3.48Å |
| 102 | Q | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 98.9 Ų | 98.9 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58 | -41.9 | 175.8 | -69.5 | 166.5 | 24.5 | 0 | 0 | 112.4 | D98 H99 E105 A106 | D98-Q102 WeakPolarHBondContact O-CG 3.46Å; D98-Q102 PolarHBondContact O-N 3Å; H99-Q102 PolarHBondContact O-N 3.49Å; Q102-E105 PolarHBondContact O-N 3.16Å; Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 3.27Å |
| 103 | C | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 95.6 Ų | 95.6 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.8 | -73.3 | 0 | 0 | 0 | 0 | 112.1 | H99 L100 H101 V107 | H99-C103 VanDerWaalsContact CE1-SG 3.52Å; H99-C103 WeakPolarHBondContact O-CB 3.31Å; H99-C103 PolarHBondContact O-N 3.26Å; H99-C103 PolarHBondContact O-SG 3.01Å; H99-C103 VanDerWaalsContact O-SG 3.35Å; L100-C103 PolarHBondContact O-N 3.16Å; H101-C103 VanDerWaalsContact C-N 3.31Å; H101-C103 PolarHBondContact O-N 3.48Å; C103-V107 WeakPolarHBondContact O-CB 3.43Å; C103-V107 VanDerWaalsContact O-CG2 3.28Å; C103-V107 WeakPolarHBondContact O-CG2 3.47Å; C103-V107 PolarHBondContact O-N 3.46Å |
| 104 | A | 98.6 | Very high | 98.6 | Very high | 58 Ų | 58 | 96.1 Ų | 96.1 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L100 H101 A108 | L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 2.97Å; H101-A104 WeakPolarHBondContact O-CB 3.35Å; H101-A104 PolarHBondContact O-N 3.33Å; H101-A104 VanDerWaalsContact O-N 3.07Å; A104-A108 VanDerWaalsContact O-CB 3.28Å; A104-A108 WeakPolarHBondContact O-CB 3.47Å; A104-A108 PolarHBondContact O-N 2.94Å |
| 105 | E | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 175.9 | -71.3 | -170.9 | 127 | 0 | 0 | 112.1 | H101 Q102 A108 F109 | H101-E105 IonicContact NE2-OE1 3.67Å; H101-E105 WeakPolarHBondContact O-CG 3.47Å; H101-E105 PolarHBondContact O-N 3.48Å; Q102-E105 PolarHBondContact O-N 3.16Å; E105-A108 PolarHBondContact O-N 3.11Å; E105-F109 WeakPolarHBondContact O-CB 3.37Å; E105-F109 PolarHBondContact O-N 3.37Å |
| 106 | A | 98.4 | Very high | 98.6 | Very high | 53 Ų | 53 | 93.9 Ų | 93.9 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q102 A108 F109 D110 | Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 3.27Å; A106-A108 PolarHBondContact O-N 3.48Å; A106-F109 PolarHBondContact O-N 3.44Å; A106-D110 PolarHBondContact O-N 3.49Å |
| 107 | V | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 94.2 Ų | 94.2 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | C103 F109 D110 Q111 | C103-V107 WeakPolarHBondContact O-CB 3.43Å; C103-V107 VanDerWaalsContact O-CG2 3.28Å; C103-V107 WeakPolarHBondContact O-CG2 3.47Å; C103-V107 PolarHBondContact O-N 3.46Å; V107-F109 PolarHBondContact O-N 3.29Å; V107-D110 PolarHBondContact O-N 3.35Å; V107-Q111 HydrophobicContact CG1-CG 4.31Å; V107-Q111 VanDerWaalsContact CG1-NE2 3.32Å; V107-Q111 WeakPolarHBondContact O-CB 3.35Å; V107-Q111 VanDerWaalsContact O-CG 3.23Å; V107-Q111 WeakPolarHBondContact O-CG 3.45Å; V107-Q111 PolarHBondContact O-N 2.93Å |
| 108 | A | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 91.8 Ų | 91.8 | 35% | 0.347 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A104 E105 A106 N112 | A104-A108 VanDerWaalsContact O-CB 3.28Å; A104-A108 WeakPolarHBondContact O-CB 3.47Å; A104-A108 PolarHBondContact O-N 2.94Å; E105-A108 PolarHBondContact O-N 3.11Å; A106-A108 PolarHBondContact O-N 3.48Å; A108-N112 WeakPolarHBondContact O-CB 3.41Å; A108-N112 PolarHBondContact O-N 2.87Å; A108-N112 PolarHBondContact O-ND2 2.97Å |
| 109 | F | 98.6 | Very high | 98.6 | Very high | 152 Ų | 152 | 94.3 Ų | 94.3 | 67% | 0.667 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -50.8 | 175.3 | -179.8 | -92.4 | 0 | 0 | 0 | 111.5 | E105 A106 V107 Q111 N112 A113 | E105-F109 WeakPolarHBondContact O-CB 3.37Å; E105-F109 PolarHBondContact O-N 3.37Å; A106-F109 PolarHBondContact O-N 3.44Å; V107-F109 PolarHBondContact O-N 3.29Å; F109-Q111 PolarHBondContact O-N 2.87Å; F109-N112 PolarHBondContact O-N 3.47Å; F109-A113 PolarHBondContact O-N 2.81Å |
| 110 | D | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 95 Ų | 95 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | -179.5 | -77.5 | -16.7 | 0 | 0 | 0 | 112.4 | A106 V107 A113 L114 | A106-D110 PolarHBondContact O-N 3.49Å; V107-D110 PolarHBondContact O-N 3.35Å; D110-A113 PolarHBondContact O-N 2.96Å; D110-L114 WeakPolarHBondContact O-CB 3.5Å; D110-L114 PolarHBondContact O-N 3.3Å |
| 111 | Q | 98.7 | Very high | 98.6 | Very high | 120 Ų | 120 | 96.8 Ų | 96.8 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.6 | -44.9 | 173.3 | -75.4 | 177.7 | 6.4 | 0 | 0 | 111.5 | V107 F109 A113 L114 V115 | V107-Q111 HydrophobicContact CG1-CG 4.31Å; V107-Q111 VanDerWaalsContact CG1-NE2 3.32Å; V107-Q111 WeakPolarHBondContact O-CB 3.35Å; V107-Q111 VanDerWaalsContact O-CG 3.23Å; V107-Q111 WeakPolarHBondContact O-CG 3.45Å; V107-Q111 PolarHBondContact O-N 2.93Å; F109-Q111 PolarHBondContact O-N 2.87Å; Q111-A113 VanDerWaalsContact C-N 3.34Å; Q111-A113 PolarHBondContact O-N 3.31Å; Q111-L114 PolarHBondContact O-N 2.77Å; Q111-V115 WeakPolarHBondContact O-CB 3.44Å; Q111-V115 VanDerWaalsContact O-CG2 3.29Å; Q111-V115 WeakPolarHBondContact O-CG2 3.36Å; Q111-V115 PolarHBondContact O-N 3.43Å |
| 112 | N | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 95.8 Ų | 95.8 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.5 | -82.2 | -61.5 | 0 | 0 | 0 | 112.5 | A108 F109 K116 | A108-N112 WeakPolarHBondContact O-CB 3.41Å; A108-N112 PolarHBondContact O-N 2.87Å; A108-N112 PolarHBondContact O-ND2 2.97Å; F109-N112 PolarHBondContact O-N 3.47Å; N112-K116 WeakPolarHBondContact O-CG 3.47Å; N112-K116 PolarHBondContact O-N 2.87Å |
| 113 | A | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 95.1 Ų | 95.1 | 31% | 0.306 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F109 D110 Q111 K116 R117 | F109-A113 PolarHBondContact O-N 2.81Å; D110-A113 PolarHBondContact O-N 2.96Å; Q111-A113 VanDerWaalsContact C-N 3.34Å; Q111-A113 PolarHBondContact O-N 3.31Å; A113-K116 PolarHBondContact O-N 3.03Å; A113-R117 PolarHBondContact O-N 3.06Å |
| 114 | L | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 95.5 Ų | 95.5 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 176.1 | 179.6 | 140.3 | 0 | 0 | 0 | 112 | D110 Q111 K116 R117 I118 | D110-L114 WeakPolarHBondContact O-CB 3.5Å; D110-L114 PolarHBondContact O-N 3.3Å; Q111-L114 PolarHBondContact O-N 2.77Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 3.09Å; L114-R117 PolarHBondContact O-N 3.17Å; L114-I118 HydrophobicContact CD2-CD1 3.55Å; L114-I118 HydrophobicContact CD2-CG1 4.41Å; L114-I118 HydrophobicContact CG-CD1 4.32Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3.39Å |
| 115 | V | 98.8 | Very high | 98.6 | Very high | 63 Ų | 63 | 96.8 Ų | 96.8 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 175.8 | 167 | 0 | 0 | 0 | 0 | 112 | Q111 K119 | Q111-V115 WeakPolarHBondContact O-CB 3.44Å; Q111-V115 VanDerWaalsContact O-CG2 3.29Å; Q111-V115 WeakPolarHBondContact O-CG2 3.36Å; Q111-V115 PolarHBondContact O-N 3.43Å; V115-K119 HydrophobicContact CG1-CD 4.44Å; V115-K119 WeakPolarHBondContact O-CG 3.39Å; V115-K119 PolarHBondContact O-N 3.11Å |
| 116 | K | 98.6 | Very high | 98.6 | Very high | 137 Ų | 137 | 97.5 Ų | 97.5 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -49.2 | 173.7 | -72.6 | 173.1 | -176.7 | 178.8 | 0 | 111.7 | N112 A113 L114 I118 K119 E120 | N112-K116 WeakPolarHBondContact O-CG 3.47Å; N112-K116 PolarHBondContact O-N 2.87Å; A113-K116 PolarHBondContact O-N 3.03Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 3.09Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 2.89Å; K116-K119 PolarHBondContact O-N 3.03Å; K116-K119 VanDerWaalsContact O-N 3.15Å; K116-E120 WeakPolarHBondContact O-CG 3.36Å; K116-E120 PolarHBondContact O-N 3.22Å |
| 117 | R | 98.7 | Very high | 98.6 | Very high | 150 Ų | 150 | 99 Ų | 99 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -33.4 | 178.3 | -74.8 | -170.6 | -72.5 | 103.3 | -5.3 | 113.6 | A113 L114 M121 | A113-R117 PolarHBondContact O-N 3.06Å; L114-R117 PolarHBondContact O-N 3.17Å; R117-M121 WeakPolarHBondContact O-CB 3.5Å; R117-M121 PolarHBondContact O-N 3.38Å |
| 118 | I | 98.7 | Very high | 98.6 | Very high | 85 Ų | 85 | 100.4 Ų | 100.4 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 172.5 | -71.3 | 173.3 | 0 | 0 | 0 | 110 | L114 K116 E120 M121 D122 | L114-I118 HydrophobicContact CD2-CD1 3.55Å; L114-I118 HydrophobicContact CD2-CG1 4.41Å; L114-I118 HydrophobicContact CG-CD1 4.32Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3.39Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 2.89Å; I118-E120 VanDerWaalsContact C-N 3.31Å; I118-E120 PolarHBondContact O-N 3.47Å; I118-M121 CarbonylContact O-C 3.57Å; I118-M121 WeakPolarHBondContact O-CA 3.48Å; I118-M121 WeakPolarHBondContact O-CB 3.46Å; I118-M121 PolarHBondContact O-N 2.96Å; I118-D122 WeakPolarHBondContact CG2-OD2 3.35Å; I118-D122 VanDerWaalsContact O-CG 3.27Å; I118-D122 PolarHBondContact O-N 3.23Å |
| 119 | K | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 105 Ų | 105 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.2 | -38.2 | 179 | -69.3 | 173.9 | 178.7 | -176.8 | 0 | 113.2 | V115 K116 M121 D122 L123 | V115-K119 HydrophobicContact CG1-CD 4.44Å; V115-K119 WeakPolarHBondContact O-CG 3.39Å; V115-K119 PolarHBondContact O-N 3.11Å; K116-K119 PolarHBondContact O-N 3.03Å; K116-K119 VanDerWaalsContact O-N 3.15Å; K119-M121 VanDerWaalsContact C-N 3.35Å; K119-D122 PolarHBondContact O-N 3.32Å; K119-L123 WeakPolarHBondContact O-CG 3.47Å; K119-L123 PolarHBondContact O-N 2.86Å; K119-L123 VanDerWaalsContact O-N 3.11Å |
| 120 | E | 98.6 | Very high | 98.6 | Very high | 118 Ų | 118 | 101.4 Ų | 101.4 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 174.1 | -71 | 165.3 | -173.2 | 0 | 0 | 112 | K116 I118 S124 | K116-E120 WeakPolarHBondContact O-CG 3.36Å; K116-E120 PolarHBondContact O-N 3.22Å; I118-E120 VanDerWaalsContact C-N 3.31Å; I118-E120 PolarHBondContact O-N 3.47Å; E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 3.36Å; E120-S124 VanDerWaalsContact O-N 3.17Å; E120-S124 PolarHBondContact O-OG 3.15Å |
| 121 | M | 98.6 | Very high | 98.6 | Very high | 121 Ų | 121 | 100.3 Ų | 100.3 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.2 | -45.1 | 174.4 | -168.3 | 63.3 | 62 | 0 | 0 | 111.6 | R117 I118 K119 L123 S124 V125 | R117-M121 WeakPolarHBondContact O-CB 3.5Å; R117-M121 PolarHBondContact O-N 3.38Å; I118-M121 CarbonylContact O-C 3.57Å; I118-M121 WeakPolarHBondContact O-CA 3.48Å; I118-M121 WeakPolarHBondContact O-CB 3.46Å; I118-M121 PolarHBondContact O-N 2.96Å; K119-M121 VanDerWaalsContact C-N 3.35Å; M121-L123 PolarHBondContact O-N 3.23Å; M121-S124 WeakPolarHBondContact O-CA 3.46Å; M121-S124 WeakPolarHBondContact O-CB 3.45Å; M121-S124 PolarHBondContact O-N 3.45Å; M121-S124 VanDerWaalsContact O-N 3.09Å; M121-V125 WeakPolarHBondContact O-CG2 3.4Å; M121-V125 PolarHBondContact O-N 3.45Å |
| 122 | D | 98.7 | Very high | 98.6 | Very high | 93 Ų | 93 | 99 Ų | 99 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 179.3 | -65.1 | -28.3 | 0 | 0 | 0 | 111.3 | I118 K119 S124 V125 E126 | I118-D122 WeakPolarHBondContact CG2-OD2 3.35Å; I118-D122 VanDerWaalsContact O-CG 3.27Å; I118-D122 PolarHBondContact O-N 3.23Å; K119-D122 PolarHBondContact O-N 3.32Å; D122-S124 VanDerWaalsContact C-N 3.3Å; D122-S124 PolarHBondContact O-N 3.19Å; D122-V125 PolarHBondContact O-N 3.21Å; D122-E126 PolarHBondContact O-N 3.48Å |
| 123 | L | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 97.8 Ų | 97.8 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.2 | -37 | 174.8 | -72.2 | 168.7 | 0 | 0 | 0 | 112.7 | K119 M121 T127 | K119-L123 WeakPolarHBondContact O-CG 3.47Å; K119-L123 PolarHBondContact O-N 2.86Å; K119-L123 VanDerWaalsContact O-N 3.11Å; M121-L123 PolarHBondContact O-N 3.23Å; L123-T127 WeakPolarHBondContact O-CB 3.34Å; L123-T127 PolarHBondContact O-N 3.29Å; L123-T127 PolarHBondContact O-OG1 2.87Å |
| 124 | S | 98.5 | Very high | 98.6 | Very high | 64 Ų | 64 | 101.4 Ų | 101.4 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | E120 M121 D122 T127 L128 | E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 3.36Å; E120-S124 VanDerWaalsContact O-N 3.17Å; E120-S124 PolarHBondContact O-OG 3.15Å; M121-S124 WeakPolarHBondContact O-CA 3.46Å; M121-S124 WeakPolarHBondContact O-CB 3.45Å; M121-S124 PolarHBondContact O-N 3.45Å; M121-S124 VanDerWaalsContact O-N 3.09Å; D122-S124 VanDerWaalsContact C-N 3.3Å; D122-S124 PolarHBondContact O-N 3.19Å; S124-T127 PolarHBondContact O-N 3.02Å; S124-L128 WeakPolarHBondContact O-CG 3.29Å; S124-L128 PolarHBondContact O-N 3.29Å |
| 125 | V | 98.7 | Very high | 98.6 | Very high | 85 Ų | 85 | 103.1 Ų | 103.1 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | M121 D122 T127 L128 F129 | M121-V125 WeakPolarHBondContact O-CG2 3.4Å; M121-V125 PolarHBondContact O-N 3.45Å; D122-V125 PolarHBondContact O-N 3.21Å; V125-T127 VanDerWaalsContact C-N 3.34Å; V125-T127 PolarHBondContact O-N 2.94Å; V125-L128 PolarHBondContact O-N 3.45Å; V125-F129 WeakPolarHBondContact O-CB 3.49Å; V125-F129 PolarHBondContact O-N 2.95Å |
| 126 | E | 98.6 | Very high | 98.6 | Very high | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 175.7 | -176.2 | 176.4 | -165.1 | 0 | 0 | 111.6 | D122 F129 S130 | D122-E126 PolarHBondContact O-N 3.48Å; E126-F129 PolarHBondContact O-N 3.22Å; E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 3.41Å |
| 127 | T | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 105.9 Ų | 105.9 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.3 | L123 S124 V125 F129 S130 I131 | L123-T127 WeakPolarHBondContact O-CB 3.34Å; L123-T127 PolarHBondContact O-N 3.29Å; L123-T127 PolarHBondContact O-OG1 2.87Å; S124-T127 PolarHBondContact O-N 3.02Å; V125-T127 VanDerWaalsContact C-N 3.34Å; V125-T127 PolarHBondContact O-N 2.94Å; T127-F129 PolarHBondContact O-N 2.88Å; T127-S130 PolarHBondContact O-N 3.46Å; T127-I131 HydrophobicContact CG2-CD1 4.07Å; T127-I131 VanDerWaalsContact O-CG1 3.31Å; T127-I131 WeakPolarHBondContact O-CG1 3.39Å; T127-I131 PolarHBondContact O-N 3.02Å; T127-I131 VanDerWaalsContact O-N 3.11Å |
| 128 | L | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 104.3 Ų | 104.3 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 177 | -73 | 171 | 0 | 0 | 0 | 112.1 | S124 V125 I131 M132 | S124-L128 WeakPolarHBondContact O-CG 3.29Å; S124-L128 PolarHBondContact O-N 3.29Å; V125-L128 PolarHBondContact O-N 3.45Å; L128-I131 PolarHBondContact O-N 3.27Å; L128-M132 WeakPolarHBondContact O-CG 3.43Å; L128-M132 PolarHBondContact O-N 3.3Å |
| 129 | F | 98.6 | Very high | 98.6 | Very high | 139 Ų | 139 | 106 Ų | 106 | 61% | 0.61 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 177.8 | -175.3 | -101.4 | 0 | 0 | 0 | 111.9 | V125 E126 T127 I131 M132 Q133 | V125-F129 WeakPolarHBondContact O-CB 3.49Å; V125-F129 PolarHBondContact O-N 2.95Å; E126-F129 PolarHBondContact O-N 3.22Å; T127-F129 PolarHBondContact O-N 2.88Å; F129-I131 PolarHBondContact O-N 3.46Å; F129-M132 PolarHBondContact O-N 2.78Å; F129-Q133 WeakPolarHBondContact O-CB 3.46Å; F129-Q133 PolarHBondContact O-N 3.03Å |
| 130 | S | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 102.2 Ų | 102.2 | 53% | 0.531 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 175.2 | -175 | 0 | 0 | 0 | 0 | 112.1 | E126 T127 M132 Q133 Q134 | E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 3.41Å; T127-S130 PolarHBondContact O-N 3.46Å; S130-M132 PolarHBondContact O-N 2.91Å; S130-Q133 PolarHBondContact O-N 2.98Å; S130-Q134 PolarHBondContact O-N 3.07Å |
| 131 | I | 98.5 | Very high | 98.6 | Very high | 81 Ų | 81 | 103 Ų | 103 | 42% | 0.415 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 176.7 | -64 | 164.4 | 0 | 0 | 0 | 111 | T127 L128 F129 Q134 R135 | T127-I131 HydrophobicContact CG2-CD1 4.07Å; T127-I131 VanDerWaalsContact O-CG1 3.31Å; T127-I131 WeakPolarHBondContact O-CG1 3.39Å; T127-I131 PolarHBondContact O-N 3.02Å; T127-I131 VanDerWaalsContact O-N 3.11Å; L128-I131 PolarHBondContact O-N 3.27Å; F129-I131 PolarHBondContact O-N 3.46Å; I131-Q134 PolarHBondContact O-N 3.5Å; I131-R135 WeakPolarHBondContact O-CB 3.43Å; I131-R135 PolarHBondContact O-N 2.87Å |
| 132 | M | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 102.9 Ų | 102.9 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.2 | -72.6 | -56.7 | 103.9 | 0 | 0 | 112 | L128 F129 S130 Q134 R135 Q136 | L128-M132 WeakPolarHBondContact O-CG 3.43Å; L128-M132 PolarHBondContact O-N 3.3Å; F129-M132 PolarHBondContact O-N 2.78Å; S130-M132 PolarHBondContact O-N 2.91Å; M132-Q134 PolarHBondContact O-N 3.08Å; M132-R135 WeakPolarHBondContact O-CB 3.34Å; M132-R135 PolarHBondContact O-N 3.35Å; M132-R135 VanDerWaalsContact O-N 3.16Å; M132-Q136 WeakPolarHBondContact O-CB 3.33Å; M132-Q136 PolarHBondContact O-N 3.35Å |
| 133 | Q | 98.7 | Very high | 98.5 | Very high | 73 Ų | 73 | 101.3 Ų | 101.3 | 34% | 0.341 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 177.6 | -160.6 | -167.9 | 105.2 | 0 | 0 | 111.8 | F129 S130 R135 Q136 K137 | F129-Q133 WeakPolarHBondContact O-CB 3.46Å; F129-Q133 PolarHBondContact O-N 3.03Å; S130-Q133 PolarHBondContact O-N 2.98Å; Q133-R135 VanDerWaalsContact C-N 3.32Å; Q133-R135 PolarHBondContact O-N 3.47Å; Q133-Q136 PolarHBondContact O-N 2.94Å; Q133-K137 WeakPolarHBondContact O-CB 3.28Å; Q133-K137 WeakPolarHBondContact O-CG 3.47Å; Q133-K137 PolarHBondContact O-N 3.39Å |
| 134 | Q | 98.4 | Very high | 98.5 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 174.1 | -163 | -163.8 | 23.8 | 0 | 0 | 112.1 | S130 I131 M132 R138 | S130-Q134 PolarHBondContact O-N 3.07Å; I131-Q134 PolarHBondContact O-N 3.5Å; M132-Q134 PolarHBondContact O-N 3.08Å; Q134-R138 WeakPolarHBondContact O-CG 3.23Å; Q134-R138 PolarHBondContact O-N 3.42Å; Q134-R138 PolarHBondContact O-NE 3.36Å |
| 135 | R | 98.4 | Very high | 98.5 | Very high | 118 Ų | 118 | 103.8 Ų | 103.8 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.4 | -46 | 173.7 | -171.8 | 177.8 | -177.9 | -173.6 | -0.9 | 111.3 | I131 M132 Q133 K137 R138 Y139 | I131-R135 WeakPolarHBondContact O-CB 3.43Å; I131-R135 PolarHBondContact O-N 2.87Å; M132-R135 WeakPolarHBondContact O-CB 3.34Å; M132-R135 PolarHBondContact O-N 3.35Å; M132-R135 VanDerWaalsContact O-N 3.16Å; Q133-R135 VanDerWaalsContact C-N 3.32Å; Q133-R135 PolarHBondContact O-N 3.47Å; R135-K137 PolarHBondContact O-N 3Å; R135-R138 PolarHBondContact O-N 3.07Å; R135-R138 VanDerWaalsContact O-N 3.16Å; R135-Y139 HydrophobicContact CG-CD2 4.11Å; R135-Y139 HydrophobicContact CG-CE2 3.63Å; R135-Y139 VanDerWaalsContact NE-CE2 3.34Å; R135-Y139 PolarHBondContact NE-OH 3.11Å; R135-Y139 PolarHBondContact NH2-OH 2.9Å; R135-Y139 PolarHBondContact O-N 2.88Å |
| 136 | Q | 98.6 | Very high | 98.5 | Very high | 136 Ų | 136 | 104.7 Ų | 104.7 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.2 | -48.8 | 174.9 | -173 | -171.6 | 19.1 | 0 | 0 | 111.6 | M132 Q133 R138 Y139 A140 | M132-Q136 WeakPolarHBondContact O-CB 3.33Å; M132-Q136 PolarHBondContact O-N 3.35Å; Q133-Q136 PolarHBondContact O-N 2.94Å; Q136-R138 VanDerWaalsContact C-N 3.26Å; Q136-R138 PolarHBondContact O-N 3.38Å; Q136-Y139 PolarHBondContact O-N 2.88Å; Q136-Y139 VanDerWaalsContact O-N 3.15Å; Q136-A140 PolarHBondContact O-N 3.42Å |
| 137 | K | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 104 Ų | 104 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -34 | 176.4 | -77.3 | 168.9 | 171.8 | 168.8 | 0 | 113.1 | Q133 R135 K141 | Q133-K137 WeakPolarHBondContact O-CB 3.28Å; Q133-K137 WeakPolarHBondContact O-CG 3.47Å; Q133-K137 PolarHBondContact O-N 3.39Å; R135-K137 PolarHBondContact O-N 3Å; K137-K141 WeakPolarHBondContact O-CG 3.47Å |
| 138 | R | 98.4 | Very high | 98.5 | Very high | 118 Ų | 118 | 106.3 Ų | 106.3 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.7 | -44.9 | 174 | -78.3 | -179.3 | -80.4 | -178.2 | -7.2 | 112 | Q134 R135 Q136 A140 K141 Y142 | Q134-R138 WeakPolarHBondContact O-CG 3.23Å; Q134-R138 PolarHBondContact O-N 3.42Å; Q134-R138 PolarHBondContact O-NE 3.36Å; R135-R138 PolarHBondContact O-N 3.07Å; R135-R138 VanDerWaalsContact O-N 3.16Å; Q136-R138 VanDerWaalsContact C-N 3.26Å; Q136-R138 PolarHBondContact O-N 3.38Å; R138-A140 PolarHBondContact O-N 3.27Å; R138-K141 PolarHBondContact O-N 3.02Å; R138-Y142 HydrophobicContact CB-CE2 4.48Å; R138-Y142 PolarHBondContact O-N 2.98Å; R138-Y142 VanDerWaalsContact O-N 3.11Å |
| 139 | Y | 98.4 | Very high | 98.5 | Very high | 121 Ų | 121 | 105.2 Ų | 105.2 | 48% | 0.475 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -34.6 | 179.5 | -67 | -19 | 0 | 0 | 0 | 113.4 | R135 Q136 K141 Y142 A143 | R135-Y139 HydrophobicContact CG-CD2 4.11Å; R135-Y139 HydrophobicContact CG-CE2 3.63Å; R135-Y139 VanDerWaalsContact NE-CE2 3.34Å; R135-Y139 PolarHBondContact NE-OH 3.11Å; R135-Y139 PolarHBondContact NH2-OH 2.9Å; R135-Y139 PolarHBondContact O-N 2.88Å; Q136-Y139 PolarHBondContact O-N 2.88Å; Q136-Y139 VanDerWaalsContact O-N 3.15Å; Y139-K141 PolarHBondContact O-N 2.88Å; Y139-Y142 AromaticContact CD1-CD2 3.86Å; Y139-Y142 HydrophobicContact CD1-CD2 3.86Å; Y139-Y142 HydrophobicContact CD1-CE2 4.13Å; Y139-Y142 HydrophobicContact CE1-CD2 4.48Å; Y139-Y142 HydrophobicContact CE1-CE2 4.44Å; Y139-Y142 PolarHBondContact O-N 3.31Å; Y139-A143 PolarHBondContact O-N 3.02Å |
| 140 | A | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 102.9 Ų | 102.9 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.6 | -47.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q136 R138 Y142 A143 E144 | Q136-A140 PolarHBondContact O-N 3.42Å; R138-A140 PolarHBondContact O-N 3.27Å; A140-Y142 VanDerWaalsContact C-N 3.33Å; A140-Y142 PolarHBondContact O-N 2.91Å; A140-A143 WeakPolarHBondContact O-CB 3.42Å; A140-A143 PolarHBondContact O-N 3.16Å; A140-A143 VanDerWaalsContact O-N 3.15Å; A140-E144 PolarHBondContact O-N 3.21Å |
| 141 | K | 98.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 103.6 Ų | 103.6 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.7 | -36.4 | 176.3 | -69.1 | -178.9 | 178.4 | -169.2 | 0 | 113.2 | K137 R138 Y139 Q145 | K137-K141 WeakPolarHBondContact O-CG 3.47Å; R138-K141 PolarHBondContact O-N 3.02Å; Y139-K141 PolarHBondContact O-N 2.88Å; K141-Q145 WeakPolarHBondContact O-CG 3.28Å; K141-Q145 PolarHBondContact O-N 3.44Å; K141-Q145 VanDerWaalsContact O-N 3.1Å |
| 142 | Y | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 105 Ų | 105 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 175.1 | -60.6 | -30.7 | 0 | 0 | 0 | 112.1 | R138 Y139 A140 Q145 I146 | R138-Y142 HydrophobicContact CB-CE2 4.48Å; R138-Y142 PolarHBondContact O-N 2.98Å; R138-Y142 VanDerWaalsContact O-N 3.11Å; Y139-Y142 AromaticContact CD1-CD2 3.86Å; Y139-Y142 HydrophobicContact CD1-CD2 3.86Å; Y139-Y142 HydrophobicContact CD1-CE2 4.13Å; Y139-Y142 HydrophobicContact CE1-CD2 4.48Å; Y139-Y142 HydrophobicContact CE1-CE2 4.44Å; Y139-Y142 PolarHBondContact O-N 3.31Å; A140-Y142 VanDerWaalsContact C-N 3.33Å; A140-Y142 PolarHBondContact O-N 2.91Å; Y142-Q145 PolarHBondContact O-N 3.37Å; Y142-I146 WeakPolarHBondContact O-CG1 3.41Å; Y142-I146 PolarHBondContact O-N 2.97Å |
| 143 | A | 98.6 | Very high | 98.4 | Very high | 60 Ų | 60 | 102.6 Ų | 102.6 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y139 A140 Q145 I146 Q147 | Y139-A143 PolarHBondContact O-N 3.02Å; A140-A143 WeakPolarHBondContact O-CB 3.42Å; A140-A143 PolarHBondContact O-N 3.16Å; A140-A143 VanDerWaalsContact O-N 3.15Å; A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 3.29Å; A143-I146 PolarHBondContact O-N 3.1Å; A143-Q147 PolarHBondContact O-N 2.92Å |
| 144 | E | 98.4 | Very high | 98.4 | Very high | 107 Ų | 107 | 105.1 Ų | 105.1 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 172.9 | -69.7 | 171 | -159.6 | 0 | 0 | 112.6 | A140 Q147 K148 | A140-E144 PolarHBondContact O-N 3.21Å; E144-Q147 PolarHBondContact O-N 3.26Å; E144-K148 WeakPolarHBondContact O-CG 3.5Å; E144-K148 PolarHBondContact O-N 3.5Å; E144-K148 VanDerWaalsContact O-N 3.09Å |
| 145 | Q | 98.3 | Very high | 98.3 | Very high | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 177 | -74.7 | 174.5 | -10.3 | 0 | 0 | 112 | K141 Y142 A143 Q147 K148 V149 | K141-Q145 WeakPolarHBondContact O-CG 3.28Å; K141-Q145 PolarHBondContact O-N 3.44Å; K141-Q145 VanDerWaalsContact O-N 3.1Å; Y142-Q145 PolarHBondContact O-N 3.37Å; A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 3.29Å; Q145-Q147 VanDerWaalsContact C-N 3.3Å; Q145-Q147 PolarHBondContact O-N 3.23Å; Q145-K148 PolarHBondContact O-N 3.41Å; Q145-V149 WeakPolarHBondContact O-CG2 3.37Å; Q145-V149 PolarHBondContact O-N 2.8Å |
| 146 | I | 98.1 | Very high | 98.3 | Very high | 105 Ų | 105 | 103.3 Ų | 103.3 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 176 | -68.9 | 164.9 | 0 | 0 | 0 | 110.6 | Y142 A143 V149 N150 | Y142-I146 WeakPolarHBondContact O-CG1 3.41Å; Y142-I146 PolarHBondContact O-N 2.97Å; A143-I146 PolarHBondContact O-N 3.1Å; I146-V149 PolarHBondContact O-N 2.94Å; I146-N150 PolarHBondContact O-N 3.12Å; I146-N150 PolarHBondContact O-ND2 3.5Å |
| 147 | Q | 98.4 | Very high | 98.3 | Very high | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.3 | -174.5 | 180 | -26.7 | 0 | 0 | 111.7 | A143 E144 Q145 V149 N150 E151 | A143-Q147 PolarHBondContact O-N 2.92Å; E144-Q147 PolarHBondContact O-N 3.26Å; Q145-Q147 VanDerWaalsContact C-N 3.3Å; Q145-Q147 PolarHBondContact O-N 3.23Å; Q147-V149 VanDerWaalsContact C-N 3.31Å; Q147-V149 PolarHBondContact O-N 3.35Å; Q147-N150 WeakPolarHBondContact O-CB 3.47Å; Q147-N150 PolarHBondContact O-N 3.21Å; Q147-N150 VanDerWaalsContact O-N 3.11Å; Q147-E151 WeakPolarHBondContact CG-OE1 3.38Å; Q147-E151 PolarHBondContact NE2-OE1 3.04Å; Q147-E151 WeakPolarHBondContact O-CG 3.47Å; Q147-E151 PolarHBondContact O-N 3.35Å |
| 148 | K | 98.2 | Very high | 98.2 | Very high | 132 Ų | 132 | 107.4 Ų | 107.4 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 175.9 | -70.9 | 173.9 | -176.9 | 178.3 | 0 | 113 | E144 Q145 E151 M152 | E144-K148 WeakPolarHBondContact O-CG 3.5Å; E144-K148 PolarHBondContact O-N 3.5Å; E144-K148 VanDerWaalsContact O-N 3.09Å; Q145-K148 PolarHBondContact O-N 3.41Å; K148-E151 PolarHBondContact O-N 3.28Å; K148-M152 WeakPolarHBondContact O-CB 3.42Å; K148-M152 PolarHBondContact O-N 3.37Å |
| 149 | V | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 106.1 Ų | 106.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | Q145 I146 Q147 M152 S153 | Q145-V149 WeakPolarHBondContact O-CG2 3.37Å; Q145-V149 PolarHBondContact O-N 2.8Å; I146-V149 PolarHBondContact O-N 2.94Å; Q147-V149 VanDerWaalsContact C-N 3.31Å; Q147-V149 PolarHBondContact O-N 3.35Å; V149-M152 PolarHBondContact O-N 2.93Å; V149-S153 WeakPolarHBondContact O-CB 3.4Å; V149-S153 PolarHBondContact O-N 3.01Å |
| 150 | N | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 104.8 Ų | 104.8 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.1 | -71.6 | -29.3 | 0 | 0 | 0 | 112.1 | I146 Q147 S153 M154 | I146-N150 PolarHBondContact O-N 3.12Å; I146-N150 PolarHBondContact O-ND2 3.5Å; Q147-N150 WeakPolarHBondContact O-CB 3.47Å; Q147-N150 PolarHBondContact O-N 3.21Å; Q147-N150 VanDerWaalsContact O-N 3.11Å; N150-S153 WeakPolarHBondContact O-CB 3.47Å; N150-S153 PolarHBondContact O-N 3.37Å; N150-M154 WeakPolarHBondContact O-CG 3.46Å; N150-M154 PolarHBondContact O-N 3.03Å |
| 151 | E | 98.2 | Very high | 97.9 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 174.3 | -71.5 | 165.9 | -170.4 | 0 | 0 | 111.3 | Q147 K148 S153 M154 I155 | Q147-E151 WeakPolarHBondContact CG-OE1 3.38Å; Q147-E151 PolarHBondContact NE2-OE1 3.04Å; Q147-E151 WeakPolarHBondContact O-CG 3.47Å; Q147-E151 PolarHBondContact O-N 3.35Å; K148-E151 PolarHBondContact O-N 3.28Å; E151-S153 VanDerWaalsContact C-N 3.35Å; E151-S153 PolarHBondContact O-N 3.1Å; E151-M154 PolarHBondContact O-N 3.1Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.16Å |
| 152 | M | 98.2 | Very high | 97.7 | Very high | 109 Ų | 109 | 102.9 Ų | 102.9 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175.1 | -174 | 173.8 | 66.9 | 0 | 0 | 112 | K148 V149 M154 I155 L156 | K148-M152 WeakPolarHBondContact O-CB 3.42Å; K148-M152 PolarHBondContact O-N 3.37Å; V149-M152 PolarHBondContact O-N 2.93Å; M152-M154 PolarHBondContact O-N 3Å; M152-I155 PolarHBondContact O-N 2.81Å; M152-L156 HydrophobicContact CG-CD1 4.26Å; M152-L156 WeakPolarHBondContact O-CG 3.45Å; M152-L156 PolarHBondContact O-N 2.85Å |
| 153 | S | 98.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 98.9 Ų | 98.9 | 32% | 0.315 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 175.2 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | V149 N150 E151 L156 R157 | V149-S153 WeakPolarHBondContact O-CB 3.4Å; V149-S153 PolarHBondContact O-N 3.01Å; N150-S153 WeakPolarHBondContact O-CB 3.47Å; N150-S153 PolarHBondContact O-N 3.37Å; E151-S153 VanDerWaalsContact C-N 3.35Å; E151-S153 PolarHBondContact O-N 3.1Å; S153-L156 PolarHBondContact O-N 3.26Å; S153-R157 WeakPolarHBondContact O-CG 3.43Å; S153-R157 PolarHBondContact O-N 3.3Å |
| 154 | M | 98.2 | Very high | 97.3 | Very high | 126 Ų | 126 | 100.4 Ų | 100.4 | 62% | 0.621 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 173.9 | -70.1 | -174 | -173.4 | 0 | 0 | 112.5 | N150 E151 M152 R158 | N150-M154 WeakPolarHBondContact O-CG 3.46Å; N150-M154 PolarHBondContact O-N 3.03Å; E151-M154 PolarHBondContact O-N 3.1Å; M152-M154 PolarHBondContact O-N 3Å; M154-R158 PolarHBondContact O-N 3.14Å |
| 155 | I | 97.8 | Very high | 97.2 | Very high | 89 Ų | 89 | 101.4 Ų | 101.4 | 46% | 0.456 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 175 | -67.7 | 165.2 | 0 | 0 | 0 | 110.3 | E151 M152 R157 R158 I159 | E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.16Å; M152-I155 PolarHBondContact O-N 2.81Å; I155-R157 VanDerWaalsContact C-N 3.34Å; I155-R157 PolarHBondContact O-N 3.2Å; I155-R158 WeakPolarHBondContact O-CB 3.39Å; I155-R158 PolarHBondContact O-N 2.93Å; I155-R158 VanDerWaalsContact O-N 3.09Å; I155-I159 HydrophobicContact CG2-CD1 3.91Å; I155-I159 HydrophobicContact CG2-CG1 4.49Å; I155-I159 WeakPolarHBondContact O-CG1 3.35Å; I155-I159 PolarHBondContact O-N 2.93Å |
| 156 | L | 97.7 | Very high | 97 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 178.1 | -70.7 | 171 | 0 | 0 | 0 | 112.2 | M152 S153 R158 I159 Q160 | M152-L156 HydrophobicContact CG-CD1 4.26Å; M152-L156 WeakPolarHBondContact O-CG 3.45Å; M152-L156 PolarHBondContact O-N 2.85Å; S153-L156 PolarHBondContact O-N 3.26Å; L156-R158 PolarHBondContact O-N 3.02Å; L156-I159 PolarHBondContact O-N 3.46Å; L156-Q160 PolarHBondContact O-N 3.41Å |
| 157 | R | 97.4 | Very high | 96.8 | Very high | 173 Ų | 173 | 96.2 Ų | 96.2 | 65% | 0.653 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 173 | -73.6 | 178.3 | -171.8 | 179.6 | 3.7 | 112.6 | S153 I155 I159 Q160 M161 | S153-R157 WeakPolarHBondContact O-CG 3.43Å; S153-R157 PolarHBondContact O-N 3.3Å; I155-R157 VanDerWaalsContact C-N 3.34Å; I155-R157 PolarHBondContact O-N 3.2Å; R157-I159 VanDerWaalsContact C-N 3.35Å; R157-Q160 PolarHBondContact O-N 3.43Å; R157-M161 WeakPolarHBondContact O-CG 3.29Å; R157-M161 PolarHBondContact O-N 3.38Å |
| 158 | R | 97.9 | Very high | 96.6 | Very high | 171 Ų | 171 | 94.1 Ų | 94.1 | 65% | 0.645 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 175.7 | -174.3 | -177 | -66.3 | 115.1 | -1.2 | 111.6 | M154 I155 L156 M161 G162 | M154-R158 PolarHBondContact O-N 3.14Å; I155-R158 WeakPolarHBondContact O-CB 3.39Å; I155-R158 PolarHBondContact O-N 2.93Å; I155-R158 VanDerWaalsContact O-N 3.09Å; L156-R158 PolarHBondContact O-N 3.02Å; R158-M161 PolarHBondContact O-N 3.18Å; R158-G162 PolarHBondContact O-N 3.42Å |
| 159 | I | 96.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 92.9 Ų | 92.9 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.3 | -66.9 | 167.7 | 0 | 0 | 0 | 109.7 | I155 L156 R157 M161 G162 I163 | I155-I159 HydrophobicContact CG2-CD1 3.91Å; I155-I159 HydrophobicContact CG2-CG1 4.49Å; I155-I159 WeakPolarHBondContact O-CG1 3.35Å; I155-I159 PolarHBondContact O-N 2.93Å; L156-I159 PolarHBondContact O-N 3.46Å; R157-I159 VanDerWaalsContact C-N 3.35Å; I159-M161 PolarHBondContact O-N 3.11Å; I159-G162 WeakPolarHBondContact O-CA 3.34Å; I159-G162 PolarHBondContact O-N 3.33Å; I159-I163 HydrophobicContact CG2-CD1 3.69Å; I159-I163 HydrophobicContact CG2-CG1 4.47Å; I159-I163 WeakPolarHBondContact O-CD1 3.41Å; I159-I163 WeakPolarHBondContact O-CG1 3.24Å; I159-I163 PolarHBondContact O-N 2.91Å |
| 160 | Q | 95.2 | Very high | 96.2 | Very high | 92 Ų | 92 | 92.7 Ų | 92.7 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.5 | -49 | 175.5 | -172 | 63.2 | 52.5 | 0 | 0 | 111.9 | L156 R157 G162 I163 D164 | L156-Q160 PolarHBondContact O-N 3.41Å; R157-Q160 PolarHBondContact O-N 3.43Å; Q160-G162 VanDerWaalsContact C-N 3.26Å; Q160-G162 PolarHBondContact O-N 3.04Å; Q160-I163 WeakPolarHBondContact O-CB 3.48Å; Q160-I163 PolarHBondContact O-N 2.81Å; Q160-D164 PolarHBondContact NE2-OD1 2.83Å; Q160-D164 PolarHBondContact O-N 3.27Å |
| 161 | M | 96.4 | Very high | 95.9 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 57% | 0.567 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.4 | -35.8 | 176.4 | -71.3 | 179.1 | 70.2 | 0 | 0 | 113 | R157 R158 I159 Q165 | R157-M161 WeakPolarHBondContact O-CG 3.29Å; R157-M161 PolarHBondContact O-N 3.38Å; R158-M161 PolarHBondContact O-N 3.18Å; I159-M161 PolarHBondContact O-N 3.11Å; M161-Q165 WeakPolarHBondContact O-CG 3.48Å; M161-Q165 PolarHBondContact O-N 3.37Å; M161-Q165 VanDerWaalsContact O-N 3.15Å |
| 162 | G | 95.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 97 Ų | 97 | 30% | 0.299 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R158 I159 Q160 Q165 T166 | R158-G162 PolarHBondContact O-N 3.42Å; I159-G162 WeakPolarHBondContact O-CA 3.34Å; I159-G162 PolarHBondContact O-N 3.33Å; Q160-G162 VanDerWaalsContact C-N 3.26Å; Q160-G162 PolarHBondContact O-N 3.04Å; G162-Q165 PolarHBondContact O-N 2.98Å; G162-T166 WeakPolarHBondContact O-CB 3.34Å; G162-T166 PolarHBondContact O-N 3.07Å; G162-T166 PolarHBondContact O-OG1 3.14Å |
| 163 | I | 93.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 97.4 Ų | 97.4 | 18% | 0.179 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65 | -50.1 | 173.9 | -65.8 | 153.9 | 0 | 0 | 0 | 110.1 | I159 Q160 Q165 T166 V167 M188 | I159-I163 HydrophobicContact CG2-CD1 3.69Å; I159-I163 HydrophobicContact CG2-CG1 4.47Å; I159-I163 WeakPolarHBondContact O-CD1 3.41Å; I159-I163 WeakPolarHBondContact O-CG1 3.24Å; I159-I163 PolarHBondContact O-N 2.91Å; Q160-I163 WeakPolarHBondContact O-CB 3.48Å; Q160-I163 PolarHBondContact O-N 2.81Å; I163-Q165 PolarHBondContact O-N 3.47Å; I163-Q165 VanDerWaalsContact O-N 3.16Å; I163-T166 PolarHBondContact O-N 3.23Å; I163-V167 HydrophobicContact CG2-CG2 3.85Å; I163-V167 WeakPolarHBondContact O-CG2 3.41Å; I163-V167 PolarHBondContact O-N 2.97Å; I163-M188 HydrophobicContact CB-CE 4.34Å; I163-M188 HydrophobicContact CD1-CE 3.5Å; I163-M188 HydrophobicContact CD1-SD 3.56Å; I163-M188 VanDerWaalsContact CD1-SD 3.56Å; I163-M188 HydrophobicContact CG1-CE 3.75Å; I163-M188 HydrophobicContact CG1-SD 4.39Å; I163-M188 HydrophobicContact CG2-CE 3.64Å; I163-M188 HydrophobicContact CG2-SD 4.2Å |
| 164 | D | 94.1 | Very high | 95.3 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.6 | -29.5 | 179.4 | -59.1 | -22.3 | 0 | 0 | 0 | 112.1 | Q160 P168 | Q160-D164 PolarHBondContact NE2-OD1 2.83Å; Q160-D164 PolarHBondContact O-N 3.27Å; D164-P168 WeakPolarHBondContact O-CD 3.29Å; D164-P168 WeakPolarHBondContact O-CG 3.45Å |
| 165 | Q | 95.8 | Very high | 95 | Very high | 127 Ų | 127 | 95.1 Ų | 95.1 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -80.2 | -34.3 | 172.7 | -71.8 | 169.4 | 22.8 | 0 | 0 | 113.5 | M161 G162 I163 | M161-Q165 WeakPolarHBondContact O-CG 3.48Å; M161-Q165 PolarHBondContact O-N 3.37Å; M161-Q165 VanDerWaalsContact O-N 3.15Å; G162-Q165 PolarHBondContact O-N 2.98Å; I163-Q165 PolarHBondContact O-N 3.47Å; I163-Q165 VanDerWaalsContact O-N 3.16Å |
| 166 | T | 95.1 | Very high | 94.9 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -85.7 | -37.6 | -172.1 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | G162 I163 L169 M170 | G162-T166 WeakPolarHBondContact O-CB 3.34Å; G162-T166 PolarHBondContact O-N 3.07Å; G162-T166 PolarHBondContact O-OG1 3.14Å; I163-T166 PolarHBondContact O-N 3.23Å; T166-L169 WeakPolarHBondContact O-CB 3.49Å; T166-L169 PolarHBondContact O-N 3.43Å; T166-L169 VanDerWaalsContact O-N 3.15Å; T166-M170 PolarHBondContact O-N 2.77Å |
| 167 | V | 93.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 95.6 Ų | 95.6 | 18% | 0.176 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.8 | -48.2 | -177.4 | 171 | 0 | 0 | 0 | 0 | 112.3 | I163 L169 M170 E171 F186 | I163-V167 HydrophobicContact CG2-CG2 3.85Å; I163-V167 WeakPolarHBondContact O-CG2 3.41Å; I163-V167 PolarHBondContact O-N 2.97Å; V167-L169 VanDerWaalsContact C-N 3.26Å; V167-L169 PolarHBondContact O-N 3.28Å; V167-M170 PolarHBondContact O-N 3.46Å; V167-M170 VanDerWaalsContact O-N 3.13Å; V167-E171 HydrophobicContact CG1-CG 4.36Å; V167-E171 WeakPolarHBondContact O-CG 3.43Å; V167-E171 PolarHBondContact O-N 3.12Å; V167-F186 HydrophobicContact CG2-CD1 3.75Å; V167-F186 HydrophobicContact CG2-CE1 3.98Å |
| 168 | P | 93.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 91 Ų | 91 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -28.8 | 178.2 | -22.7 | 34.7 | 0 | 0 | 0 | 113.9 | D164 R172 | D164-P168 WeakPolarHBondContact O-CD 3.29Å; D164-P168 WeakPolarHBondContact O-CG 3.45Å; P168-R172 VanDerWaalsContact O-CB 3.28Å; P168-R172 WeakPolarHBondContact O-CB 3.42Å; P168-R172 PolarHBondContact O-N 3.36Å |
| 169 | L | 95.1 | Very high | 94 | Very high | 107 Ų | 107 | 90.1 Ų | 90.1 | 56% | 0.56 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71.5 | -40.4 | 175.5 | -63.1 | 175.7 | 0 | 0 | 0 | 111 | T166 V167 R172 L173 | T166-L169 WeakPolarHBondContact O-CB 3.49Å; T166-L169 PolarHBondContact O-N 3.43Å; T166-L169 VanDerWaalsContact O-N 3.15Å; V167-L169 VanDerWaalsContact C-N 3.26Å; V167-L169 PolarHBondContact O-N 3.28Å; L169-R172 PolarHBondContact O-N 3.17Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 2.92Å |
| 170 | M | 93.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 92 Ų | 92 | 38% | 0.384 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 175.2 | -177.7 | 172.3 | 56.6 | 0 | 0 | 111.7 | T166 V167 R172 L173 N174 F186 | T166-M170 PolarHBondContact O-N 2.77Å; V167-M170 PolarHBondContact O-N 3.46Å; V167-M170 VanDerWaalsContact O-N 3.13Å; M170-R172 VanDerWaalsContact C-N 3.32Å; M170-R172 PolarHBondContact O-N 3.12Å; M170-L173 PolarHBondContact O-N 2.81Å; M170-N174 WeakPolarHBondContact O-CB 3.36Å; M170-N174 PolarHBondContact O-N 3Å; M170-F186 HydrophobicContact CE-CB 3.33Å; M170-F186 HydrophobicContact CE-CD1 4.03Å; M170-F186 HydrophobicContact CE-CD2 3.88Å; M170-F186 HydrophobicContact CE-CG 3.48Å; M170-F186 VanDerWaalsContact CE-CG 3.48Å |
| 171 | E | 91.6 | Very high | 93.6 | Very high | 90 Ų | 90 | 93.6 Ų | 93.6 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 172.3 | -71.5 | 176 | 170.4 | 0 | 0 | 111.6 | V167 L173 N174 N175 | V167-E171 HydrophobicContact CG1-CG 4.36Å; V167-E171 WeakPolarHBondContact O-CG 3.43Å; V167-E171 PolarHBondContact O-N 3.12Å; E171-L173 PolarHBondContact O-N 3.12Å; E171-N174 PolarHBondContact O-N 3.08Å; E171-N175 WeakPolarHBondContact O-CB 3.31Å; E171-N175 PolarHBondContact O-N 2.83Å; E171-N175 PolarHBondContact O-ND2 2.87Å |
| 172 | R | 93.9 | Very high | 93.5 | Very high | 182 Ų | 182 | 93.1 Ų | 93.1 | 69% | 0.687 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 175.5 | -178.3 | 178 | 178.9 | 177.3 | 0.6 | 112.2 | P168 L169 M170 L176 | P168-R172 VanDerWaalsContact O-CB 3.28Å; P168-R172 WeakPolarHBondContact O-CB 3.42Å; P168-R172 PolarHBondContact O-N 3.36Å; L169-R172 PolarHBondContact O-N 3.17Å; M170-R172 VanDerWaalsContact C-N 3.32Å; M170-R172 PolarHBondContact O-N 3.12Å; R172-L176 WeakPolarHBondContact O-CG 3.19Å |
| 173 | L | 93.8 | Very high | 93.2 | Very high | 119 Ų | 119 | 97.7 Ų | 97.7 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -44.3 | 175.8 | -73.1 | 170.8 | 0 | 0 | 0 | 111.4 | L169 M170 E171 N175 L176 | L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 2.92Å; M170-L173 PolarHBondContact O-N 2.81Å; E171-L173 PolarHBondContact O-N 3.12Å; L173-N175 VanDerWaalsContact C-N 3.31Å; L173-N175 PolarHBondContact O-N 3.3Å; L173-L176 WeakPolarHBondContact O-CB 3.5Å; L173-L176 PolarHBondContact O-N 3.04Å; L173-L176 VanDerWaalsContact O-N 3.12Å |
| 174 | N | 94.6 | Very high | 93 | Very high | 25 Ų | 25 | 104.5 Ų | 104.5 | 13% | 0.134 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 178.4 | -168.3 | 37.1 | 0 | 0 | 0 | 112.1 | M170 E171 L176 L177 L183 | M170-N174 WeakPolarHBondContact O-CB 3.36Å; M170-N174 PolarHBondContact O-N 3Å; E171-N174 PolarHBondContact O-N 3.08Å; N174-L176 PolarHBondContact O-N 3.15Å; N174-L177 WeakPolarHBondContact O-CB 3.37Å; N174-L177 PolarHBondContact O-N 3.01Å; N174-L177 VanDerWaalsContact O-N 3.08Å; N174-L183 PolarHBondContact ND2-O 3.31Å; N174-L183 WeakPolarHBondContact OD1-CB 3.45Å; N174-L183 PolarHBondContact OD1-N 3.27Å |
| 175 | N | 92.8 | Very high | 92.5 | Very high | 98 Ų | 98 | 105.4 Ų | 105.4 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.2 | -20.5 | 178.1 | -76.5 | -47.9 | 0 | 0 | 0 | 114.4 | E171 L173 L177 R182 | E171-N175 WeakPolarHBondContact O-CB 3.31Å; E171-N175 PolarHBondContact O-N 2.83Å; E171-N175 PolarHBondContact O-ND2 2.87Å; L173-N175 VanDerWaalsContact C-N 3.31Å; L173-N175 PolarHBondContact O-N 3.3Å; N175-L177 VanDerWaalsContact C-N 3.33Å; N175-R182 PolarHBondContact O-NH2 2.85Å |
| 176 | L | 93.9 | Very high | 91.9 | Very high | 136 Ų | 136 | 104.2 Ų | 104.2 | 71% | 0.712 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.3 | 174.7 | -65 | 171.9 | 0 | 0 | 0 | 113.3 | R172 L173 N174 | R172-L176 WeakPolarHBondContact O-CG 3.19Å; L173-L176 WeakPolarHBondContact O-CB 3.5Å; L173-L176 PolarHBondContact O-N 3.04Å; L173-L176 VanDerWaalsContact O-N 3.12Å; N174-L176 PolarHBondContact O-N 3.15Å |
| 177 | L | 92.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 104 Ų | 104 | 34% | 0.34 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -74.2 | 150.4 | 175.3 | -64 | 172 | 0 | 0 | 0 | 111.3 | N174 N175 E181 R182 | N174-L177 WeakPolarHBondContact O-CB 3.37Å; N174-L177 PolarHBondContact O-N 3.01Å; N174-L177 VanDerWaalsContact O-N 3.08Å; N175-L177 VanDerWaalsContact C-N 3.33Å; L177-E181 HydrophobicContact CB-CB 4.48Å; L177-R182 HydrophobicContact CB-CG 4.2Å; L177-R182 PolarHBondContact O-NE 2.75Å |
| 178 | P | 94.4 | Very high | 90.1 | Very high | 76 Ų | 76 | 107.5 Ų | 107.5 | 49% | 0.494 | 55% | 0.554 | S | S | . | * | trans | -53.4 | 147.7 | 167 | -22 | 32.9 | 0 | 0 | 0 | 111.1 | C180 E181 R182 | P178-C180 PolarHBondContact O-N 3.01Å; P178-C180 VanDerWaalsContact O-N 3.09Å; P178-E181 PolarHBondContact O-N 3.22Å; P178-R182 PolarHBondContact O-N 3.44Å | ||
| 179 | E | 88.7 | Confident | 88.9 | Confident | 154 Ų | 154 | 114.4 Ų | 114.4 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -59 | -32.1 | -170.9 | -51.7 | -158.7 | 129.6 | 0 | 0 | 113.7 | E181 R182 | E179-E181 PolarHBondContact O-N 3.2Å; E179-R182 IonicContact OE1-NH1 3.79Å; E179-R182 PolarHBondContact OE1-NH1 3.28Å |
| 180 | C | 90.6 | Very high | 87.2 | Confident | 131 Ų | 131 | 113.9 Ų | 113.9 | 89% | 0.885 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -69.6 | -15.1 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 114.5 | P178 | P178-C180 PolarHBondContact O-N 3.01Å; P178-C180 VanDerWaalsContact O-N 3.09Å |
| 181 | E | 92.3 | Very high | 85.1 | Confident | 126 Ų | 126 | 118.4 Ų | 118.4 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -116.1 | 1.2 | -173.8 | -62 | -177.4 | 167 | 0 | 0 | 112.7 | L177 P178 E179 L183 | L177-E181 HydrophobicContact CB-CB 4.48Å; P178-E181 PolarHBondContact O-N 3.22Å; E179-E181 PolarHBondContact O-N 3.2Å; E181-L183 PolarHBondContact O-N 2.85Å |
| 182 | R | 93.6 | Very high | 83.3 | Confident | 104 Ų | 104 | 116.9 Ų | 116.9 | 39% | 0.392 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -68 | 131.8 | 178 | -70.2 | -176.7 | 176.8 | 154.4 | -4.4 | 111.1 | N175 L177 P178 E179 | N175-R182 PolarHBondContact O-NH2 2.85Å; L177-R182 HydrophobicContact CB-CG 4.2Å; L177-R182 PolarHBondContact O-NE 2.75Å; P178-R182 PolarHBondContact O-N 3.44Å; E179-R182 IonicContact OE1-NH1 3.79Å; E179-R182 PolarHBondContact OE1-NH1 3.28Å |
| 183 | L | 90.9 | Very high | 80.9 | Confident | 125 Ų | 125 | 115.2 Ų | 115.2 | 65% | 0.654 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 158 | 172.7 | -56.7 | 174.9 | 0 | 0 | 0 | 110.8 | N174 E181 | N174-L183 PolarHBondContact ND2-O 3.31Å; N174-L183 WeakPolarHBondContact OD1-CB 3.45Å; N174-L183 PolarHBondContact OD1-N 3.27Å; E181-L183 PolarHBondContact O-N 2.85Å |
| 184 | E | 87.6 | Confident | 78.7 | Confident | 178 Ų | 178 | 116.1 Ų | 116.1 | 83% | 0.832 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 152.4 | 171.2 | -64.8 | -164.8 | 174.2 | 0 | 0 | 111.9 | F186 | E184-F186 PolarHBondContact O-N 3.4Š|
| 185 | P | 84.3 | Confident | 76.4 | Confident | 111 Ų | 111 | 119.5 Ų | 119.5 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 133.1 | 175.5 | -24 | 34.5 | 0 | 0 | 0 | 112.1 | S187 | P185-S187 PolarHBondContact O-N 3.24Š|
| 186 | F | 83.9 | Confident | 74 | Confident | 102 Ų | 102 | 119.9 Ų | 119.9 | 45% | 0.447 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -69 | 129.9 | -179.4 | 174.7 | -94.9 | 0 | 0 | 0 | 111.8 | V167 M170 E184 M188 | V167-F186 HydrophobicContact CG2-CD1 3.75Å; V167-F186 HydrophobicContact CG2-CE1 3.98Å; M170-F186 HydrophobicContact CE-CB 3.33Å; M170-F186 HydrophobicContact CE-CD1 4.03Å; M170-F186 HydrophobicContact CE-CD2 3.88Å; M170-F186 HydrophobicContact CE-CG 3.48Å; M170-F186 VanDerWaalsContact CE-CG 3.48Å; E184-F186 PolarHBondContact O-N 3.4Å; F186-M188 HydrophobicContact CE1-CB 4.14Å; F186-M188 HydrophobicContact CE1-CE 3.79Å; F186-M188 HydrophobicContact CZ-CB 4.47Å; F186-M188 HydrophobicContact CZ-CE 3.72Å |
| 187 | S | 79.4 | Confident | 71.3 | Confident | 79 Ų | 79 | 127 Ų | 127 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | trans | -122.7 | 131.8 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110 | P185 R189 | P185-S187 PolarHBondContact O-N 3.24Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact OG-N 3.1Å | ||
| 188 | M | 71.8 | Confident | 70.3 | Confident | 103 Ų | 103 | 130.1 Ų | 130.1 | 51% | 0.507 | 71% | 0.714 | S | S | . | * | trans | -95.1 | 17.2 | 174.9 | -167.5 | 163.7 | -74 | 0 | 0 | 112.6 | I163 F186 | I163-M188 HydrophobicContact CB-CE 4.34Å; I163-M188 HydrophobicContact CD1-CE 3.5Å; I163-M188 HydrophobicContact CD1-SD 3.56Å; I163-M188 VanDerWaalsContact CD1-SD 3.56Å; I163-M188 HydrophobicContact CG1-CE 3.75Å; I163-M188 HydrophobicContact CG1-SD 4.39Å; I163-M188 HydrophobicContact CG2-CE 3.64Å; I163-M188 HydrophobicContact CG2-SD 4.2Å; F186-M188 HydrophobicContact CE1-CB 4.14Å; F186-M188 HydrophobicContact CE1-CE 3.79Å; F186-M188 HydrophobicContact CZ-CB 4.47Å; F186-M188 HydrophobicContact CZ-CE 3.72Å | ||
| 189 | R | 67.8 | Low | 69 | Low | 213 Ų | 213 | 132.9 Ų | 132.9 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -68.2 | 133.9 | 173.7 | -72.6 | -168.6 | 173.6 | -166.3 | -2 | 110 | S187 | S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact OG-N 3.1Å | ||
| 190 | P | 58.9 | Low | 67.9 | Low | 96 Ų | 96 | 131.8 Ų | 131.8 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | trans | -62.9 | 136.9 | 162.6 | 29.1 | -32.7 | 0 | 0 | 0 | 108.4 | G192 | P190-G192 PolarHBondContact O-N 2.68Š| ||
| 191 | D | 48.9 | Very low | 66.6 | Low | 174 Ų | 174 | 131.8 Ų | 131.8 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 27.5 | -169.9 | -131.8 | -20.1 | 0 | 0 | 0 | 114.1 | ||
| 192 | G | 53.8 | Low | 64.9 | Low | 57 Ų | 57 | 132.2 Ų | 132.2 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | -19.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | P190 V194 | P190-G192 PolarHBondContact O-N 2.68Å; G192-V194 PolarHBondContact O-N 3.27Å |
| 193 | D | 44.8 | Very low | 63 | Low | 148 Ų | 148 | 134.1 Ų | 134.1 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -83 | 56.8 | -177.9 | -78.8 | -33.5 | 0 | 0 | 0 | 112.7 | ||||
| 194 | V | 47 | Very low | 61 | Low | 138 Ų | 138 | 134.7 Ų | 134.7 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | -119.7 | 35.5 | 173.4 | -158.3 | 0 | 0 | 0 | 0 | 111.1 | G192 | G192-V194 PolarHBondContact O-N 3.27Š| ||
| 195 | A | 46.9 | Very low | 59 | Low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -157.2 | 62.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 196 | A | 42.9 | Very low | 56.9 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 88% | 0.884 | 75% | 0.749 | S | S | * | * | trans | -157.2 | 100.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 197 | K | 36.6 | Very low | 54.4 | Low | 285 Ų | 285 | 135.9 Ų | 135.9 | 100% | 1.239 | 78% | 0.776 | S | S | * | * | trans | -143.3 | 0 | 168.1 | -144.3 | -174.6 | -172.3 | -175.5 | 0 | 109.4 |
Retrieved 197 of 197 residues in 573.9 ms
(Link to these results)