| 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 | 36.8 | Very low | 41.4 | Very low | 232 Ų | 232 | 151.8 Ų | 151.8 | 100% | 1.143 | 82% | 0.822 | S | S | * | * | 0 | 137.1 | 0 | -76.7 | -173.7 | -170 | 0 | 0 | 109.1 | |||||
| 2 | K | 36.3 | Very low | 41.1 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | 72.7 | 142.1 | 163.9 | -58.3 | 171.9 | -179.2 | 177 | 0 | 116.6 | ||||
| 3 | K | 35.9 | Very low | 41.7 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | cis | -163.7 | 140.5 | -14.8 | -111.6 | 178.5 | -176.3 | -169.3 | 0 | 105.4 | ||||
| 4 | L | 38.3 | Very low | 41.5 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -28.9 | 134.9 | 153.5 | -108.6 | 73.4 | 0 | 0 | 0 | 114.5 | ||||
| 5 | T | 46.7 | Very low | 42.1 | Very low | 143 Ų | 143 | 152 Ų | 152 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -133.1 | 110.5 | 147.5 | -18.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | T | 38.3 | Very low | 41.6 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 63% | 0.632 | 82% | 0.821 | S | S | * | * | trans | -73.7 | 136.3 | 174.5 | -17.5 | 0 | 0 | 0 | 0 | 109.7 | L8 | T6-L8 HydrophobicContact CG2-CD1 4.25Š| ||
| 7 | L | 51.9 | Low | 41.6 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -131.7 | 107.7 | 156.5 | -148.6 | 79.4 | 0 | 0 | 0 | 108.7 | ||||
| 8 | L | 38.9 | Very low | 41.2 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | trans | -71.3 | 131.8 | 167.2 | -102 | 81.7 | 0 | 0 | 0 | 108.9 | T6 | T6-L8 HydrophobicContact CG2-CD1 4.25Š| ||
| 9 | L | 47.2 | Very low | 41 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -136 | 114.2 | 143.7 | -104.8 | 113.1 | 0 | 0 | 0 | 108.6 | ||||
| 10 | A | 38.7 | Very low | 40.9 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -85 | 129.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 11 | S | 46.1 | Very low | 40.9 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -138.9 | 101.1 | 157.8 | -72.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 12 | T | 37.7 | Very low | 40.9 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -67 | 122 | 167.6 | 39.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 13 | L | 49.8 | Very low | 41.1 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -126.6 | 114.8 | 149.7 | -106.6 | 101.3 | 0 | 0 | 0 | 108.8 | ||||
| 14 | L | 39.2 | Very low | 41.2 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -75 | 117.7 | 168.4 | -78.3 | 149.1 | 0 | 0 | 0 | 108.6 | ||||
| 15 | I | 49.3 | Very low | 41.4 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | -128.2 | 106.5 | 149.5 | -60.4 | -179.2 | 0 | 0 | 0 | 106.7 | ||||
| 16 | A | 35.5 | Very low | 41.4 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -73.1 | 119.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 17 | A | 40.7 | Very low | 42 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -144.8 | 101.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | G19 | A17-G19 PolarHBondContact O-N 3.32Š| ||
| 18 | C | 34 | Very low | 42 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 97% | 0.966 | 77% | 0.772 | S | S | * | * | trans | -60.7 | 113.1 | 164.5 | -61.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 19 | G | 38.3 | Very low | 42.7 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -142.2 | 104 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | A17 | A17-G19 PolarHBondContact O-N 3.32Š| ||
| 20 | N | 38.2 | Very low | 43.3 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | -49.8 | 132.9 | 178.5 | -110.6 | 15.8 | 0 | 0 | 0 | 113.3 | ||||
| 21 | D | 41.2 | Very low | 44.3 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 22.7 | 95.4 | 153.1 | -70.5 | -31.3 | 0 | 0 | 0 | 119 | S23 | D21-S23 PolarHBondContact O-N 3.44Å; D21-S23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | D | 36.1 | Very low | 45.2 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 94% | 0.941 | 73% | 0.732 | S | S | * | * | trans | -69.3 | 86.3 | 150.3 | -87.5 | -40.5 | 0 | 0 | 0 | 110.6 | ||||
| 23 | S | 40.6 | Very low | 46.8 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | -165.2 | 59.3 | 151.9 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | D21 | D21-S23 PolarHBondContact O-N 3.44Å; D21-S23 VanDerWaalsContact O-N 3.12Å | ||
| 24 | K | 39.7 | Very low | 48 | Very low | 214 Ų | 214 | 126.3 Ų | 126.3 | 93% | 0.93 | 70% | 0.704 | S | S | * | * | trans | -109.2 | 73.7 | 147.1 | -84 | -174.6 | 178.9 | 175.8 | 0 | 108.2 | D26 | K24-D26 PolarHBondContact O-N 3.08Š| ||
| 25 | K | 41.4 | Very low | 50.1 | Low | 197 Ų | 197 | 122.9 Ų | 122.9 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | trans | -67.4 | 85.6 | 165.2 | -100.2 | -178.4 | 175.7 | 174.3 | 0 | 108.2 | D27 | K25-D27 PolarHBondContact O-N 3.11Š| ||
| 26 | D | 46.5 | Very low | 51.9 | Low | 72 Ų | 72 | 117.2 Ų | 117.2 | 39% | 0.385 | 67% | 0.666 | S | S | . | * | trans | 32.3 | 57.7 | 145.2 | -143.7 | -4.5 | 0 | 0 | 0 | 117.2 | K24 S28 K29 | K24-D26 PolarHBondContact O-N 3.08Å; D26-S28 PolarHBondContact O-N 2.84Å; D26-S28 VanDerWaalsContact O-N 3.07Å; D26-S28 PolarHBondContact OD1-OG 3Å; D26-K29 PolarHBondContact O-N 2.98Å; D26-K29 VanDerWaalsContact OD2-CD 3.29Å; D26-K29 WeakPolarHBondContact OD2-CD 3.5Å; D26-K29 VanDerWaalsContact OD2-CE 3.27Å; D26-K29 WeakPolarHBondContact OD2-CE 3.25Å; D26-K29 IonicContact OD2-NZ 2.73Å; D26-K29 PolarHBondContact OD2-NZ 3.48Å | ||
| 27 | D | 51.2 | Low | 54.4 | Low | 135 Ų | 135 | 113.6 Ų | 113.6 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -54.6 | -24.5 | 170.3 | -73.6 | -38.1 | 0 | 0 | 0 | 112.1 | K25 K29 T30 S31 | K25-D27 PolarHBondContact O-N 3.11Å; D27-K29 VanDerWaalsContact C-N 3.32Å; D27-K29 PolarHBondContact O-N 3.1Å; D27-T30 PolarHBondContact O-N 3.29Å; D27-S31 PolarHBondContact O-N 3.12Å; D27-S31 PolarHBondContact O-OG 2.92Å |
| 28 | S | 51.9 | Low | 56.7 | Low | 56 Ų | 56 | 114.7 Ų | 114.7 | 39% | 0.392 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.9 | -28.4 | -178.8 | 93.6 | 0 | 0 | 0 | 0 | 113.9 | D26 S31 K32 | D26-S28 PolarHBondContact O-N 2.84Å; D26-S28 VanDerWaalsContact O-N 3.07Å; D26-S28 PolarHBondContact OD1-OG 3Å; S28-S31 PolarHBondContact O-OG 2.61Å; S28-K32 WeakPolarHBondContact O-CB 3.39Å; S28-K32 VanDerWaalsContact O-CG 3.25Å; S28-K32 WeakPolarHBondContact O-CG 3.38Å; S28-K32 PolarHBondContact O-N 2.88Å |
| 29 | K | 54.5 | Low | 59.6 | Low | 143 Ų | 143 | 110.7 Ų | 110.7 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.7 | -39.2 | 178.2 | -81.7 | -172.9 | -176.7 | 126 | 0 | 111.7 | D26 D27 K33 | D26-K29 PolarHBondContact O-N 2.98Å; D26-K29 VanDerWaalsContact OD2-CD 3.29Å; D26-K29 WeakPolarHBondContact OD2-CD 3.5Å; D26-K29 VanDerWaalsContact OD2-CE 3.27Å; D26-K29 WeakPolarHBondContact OD2-CE 3.25Å; D26-K29 IonicContact OD2-NZ 2.73Å; D26-K29 PolarHBondContact OD2-NZ 3.48Å; D27-K29 VanDerWaalsContact C-N 3.32Å; D27-K29 PolarHBondContact O-N 3.1Å; K29-K33 WeakPolarHBondContact O-CB 3.48Å; K29-K33 PolarHBondContact O-N 2.69Å; K29-K33 VanDerWaalsContact O-N 3.16Å |
| 30 | T | 59.7 | Low | 62.3 | Low | 103 Ų | 103 | 110.1 Ų | 110.1 | 63% | 0.632 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.4 | -45.5 | 176.9 | -49.3 | 0 | 0 | 0 | 0 | 110.3 | D27 K32 K33 D34 | D27-T30 PolarHBondContact O-N 3.29Å; T30-K32 PolarHBondContact O-N 2.62Å; T30-K33 PolarHBondContact O-N 2.9Å; T30-D34 PolarHBondContact O-N 2.87Å |
| 31 | S | 58.1 | Low | 65 | Low | 57 Ų | 57 | 103.3 Ų | 103.3 | 40% | 0.399 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 178.8 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | D27 S28 K33 D34 D35 | D27-S31 PolarHBondContact O-N 3.12Å; D27-S31 PolarHBondContact O-OG 2.92Å; S28-S31 PolarHBondContact O-OG 2.61Å; S31-K33 VanDerWaalsContact C-N 3.3Å; S31-K33 PolarHBondContact O-N 3.3Å; S31-D34 PolarHBondContact O-N 2.92Å; S31-D35 VanDerWaalsContact O-CG 3.24Å; S31-D35 PolarHBondContact O-N 2.71Å |
| 32 | K | 66.3 | Low | 67.6 | Low | 150 Ų | 150 | 104.2 Ų | 104.2 | 65% | 0.652 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.2 | -34.3 | 177.9 | -76.9 | 176.7 | -177.7 | 175.5 | 0 | 113.2 | S28 T30 G36 | S28-K32 WeakPolarHBondContact O-CB 3.39Å; S28-K32 VanDerWaalsContact O-CG 3.25Å; S28-K32 WeakPolarHBondContact O-CG 3.38Å; S28-K32 PolarHBondContact O-N 2.88Å; T30-K32 PolarHBondContact O-N 2.62Å; K32-G36 PolarHBondContact O-N 3.01Å; K32-G36 VanDerWaalsContact O-N 3.17Å |
| 33 | K | 70.2 | Confident | 70.5 | Confident | 162 Ų | 162 | 102.6 Ų | 102.6 | 70% | 0.704 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.8 | -41.9 | 177.9 | -169.4 | -179.3 | 178.8 | -173.5 | 0 | 111 | K29 T30 S31 G36 V37 | K29-K33 WeakPolarHBondContact O-CB 3.48Å; K29-K33 PolarHBondContact O-N 2.69Å; K29-K33 VanDerWaalsContact O-N 3.16Å; T30-K33 PolarHBondContact O-N 2.9Å; S31-K33 VanDerWaalsContact C-N 3.3Å; S31-K33 PolarHBondContact O-N 3.3Å; K33-G36 PolarHBondContact O-N 3.19Å; K33-V37 PolarHBondContact O-N 3.4Å; K33-V37 VanDerWaalsContact O-N 3.08Å |
| 34 | D | 76.6 | Confident | 73.2 | Confident | 66 Ų | 66 | 98.3 Ų | 98.3 | 35% | 0.353 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.6 | -174.8 | 24.8 | 0 | 0 | 0 | 111.6 | T30 S31 G36 V37 K38 | T30-D34 PolarHBondContact O-N 2.87Å; S31-D34 PolarHBondContact O-N 2.92Å; D34-G36 PolarHBondContact O-N 3Å; D34-V37 PolarHBondContact O-N 3.42Å; D34-K38 VanDerWaalsContact CG-NZ 3.32Å; D34-K38 WeakPolarHBondContact O-CG 3.36Å; D34-K38 PolarHBondContact O-N 3.21Å; D34-K38 WeakPolarHBondContact OD1-CE 3.39Å; D34-K38 IonicContact OD1-NZ 3.98Å; D34-K38 PolarHBondContact OD1-NZ 2.76Å; D34-K38 WeakPolarHBondContact OD2-CE 3.36Å; D34-K38 IonicContact OD2-NZ 3.36Å; D34-K38 PolarHBondContact OD2-NZ 2.92Å |
| 35 | D | 81.7 | Confident | 75.9 | Confident | 97 Ų | 97 | 88.7 Ų | 88.7 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 173.5 | -68.8 | -26.3 | 0 | 0 | 0 | 112.2 | S31 A39 | S31-D35 VanDerWaalsContact O-CG 3.24Å; S31-D35 PolarHBondContact O-N 2.71Å; D35-A39 PolarHBondContact O-N 2.85Å; D35-A39 VanDerWaalsContact O-N 3.14Å |
| 36 | G | 87 | Confident | 78.5 | Confident | 32 Ų | 32 | 86.7 Ų | 86.7 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -51.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K32 K33 D34 K38 A39 E40 | K32-G36 PolarHBondContact O-N 3.01Å; K32-G36 VanDerWaalsContact O-N 3.17Å; K33-G36 PolarHBondContact O-N 3.19Å; D34-G36 PolarHBondContact O-N 3Å; G36-K38 VanDerWaalsContact C-N 3.34Å; G36-K38 PolarHBondContact O-N 3.09Å; G36-A39 WeakPolarHBondContact O-CB 3.48Å; G36-A39 PolarHBondContact O-N 3Å; G36-E40 WeakPolarHBondContact O-CG 3.31Å; G36-E40 PolarHBondContact O-N 2.96Å |
| 37 | V | 88.3 | Confident | 81 | Confident | 20 Ų | 20 | 85.1 Ų | 85.1 | 12% | 0.121 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 179.7 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | K33 D34 A39 E40 L41 I218 I282 | K33-V37 PolarHBondContact O-N 3.4Å; K33-V37 VanDerWaalsContact O-N 3.08Å; D34-V37 PolarHBondContact O-N 3.42Å; V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 2.84Å; V37-E40 PolarHBondContact O-N 3.46Å; V37-L41 HydrophobicContact CG1-CD1 4.06Å; V37-L41 HydrophobicContact CG1-CG 4.3Å; V37-L41 WeakPolarHBondContact O-CG 3.26Å; V37-L41 PolarHBondContact O-N 2.78Å; V37-I218 HydrophobicContact CG1-CG2 4.25Å; V37-I282 WeakPolarHBondContact CG1-O 3.43Å |
| 38 | K | 90.4 | Very high | 83.2 | Confident | 111 Ų | 111 | 78.7 Ų | 78.7 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 175.6 | -73.4 | 173.7 | -174.4 | 155.6 | 0 | 112.5 | D34 G36 K42 | D34-K38 VanDerWaalsContact CG-NZ 3.32Å; D34-K38 WeakPolarHBondContact O-CG 3.36Å; D34-K38 PolarHBondContact O-N 3.21Å; D34-K38 WeakPolarHBondContact OD1-CE 3.39Å; D34-K38 IonicContact OD1-NZ 3.98Å; D34-K38 PolarHBondContact OD1-NZ 2.76Å; D34-K38 WeakPolarHBondContact OD2-CE 3.36Å; D34-K38 IonicContact OD2-NZ 3.36Å; D34-K38 PolarHBondContact OD2-NZ 2.92Å; G36-K38 VanDerWaalsContact C-N 3.34Å; G36-K38 PolarHBondContact O-N 3.09Å; K38-K42 WeakPolarHBondContact O-CB 3.47Å; K38-K42 PolarHBondContact O-N 3.17Å |
| 39 | A | 93.6 | Very high | 85.4 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 50% | 0.496 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | D35 G36 V37 K42 Q43 | D35-A39 PolarHBondContact O-N 2.85Å; D35-A39 VanDerWaalsContact O-N 3.14Å; G36-A39 WeakPolarHBondContact O-CB 3.48Å; G36-A39 PolarHBondContact O-N 3Å; V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 2.84Å; A39-K42 PolarHBondContact O-N 3.42Å; A39-Q43 PolarHBondContact O-N 3.38Å |
| 40 | E | 95 | Very high | 87.5 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 28% | 0.28 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 176.7 | -64.6 | -170.4 | 118.7 | 0 | 0 | 112.2 | G36 V37 K42 Q43 A44 I218 K221 | G36-E40 WeakPolarHBondContact O-CG 3.31Å; G36-E40 PolarHBondContact O-N 2.96Å; V37-E40 PolarHBondContact O-N 3.46Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 3.43Å; E40-Q43 PolarHBondContact O-N 3.07Å; E40-A44 PolarHBondContact O-N 3.07Å; E40-I218 HydrophobicContact CB-CD1 3.58Å; E40-I218 HydrophobicContact CB-CG1 3.76Å; E40-K221 IonicContact OE1-NZ 3.05Å; E40-K221 PolarHBondContact OE1-NZ 3.14Å; E40-K221 IonicContact OE2-NZ 3.41Å; E40-K221 PolarHBondContact OE2-NZ 2.85Å |
| 41 | L | 95 | Very high | 89.3 | Confident | 17 Ų | 17 | 74.7 Ų | 74.7 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 174.7 | -71.3 | 172.9 | 0 | 0 | 0 | 111.2 | V37 Q43 A44 T45 P167 F215 I218 I282 T283 | V37-L41 HydrophobicContact CG1-CD1 4.06Å; V37-L41 HydrophobicContact CG1-CG 4.3Å; V37-L41 WeakPolarHBondContact O-CG 3.26Å; V37-L41 PolarHBondContact O-N 2.78Å; L41-Q43 VanDerWaalsContact C-N 3.29Å; L41-Q43 PolarHBondContact O-N 2.85Å; L41-A44 PolarHBondContact O-N 2.92Å; L41-T45 PolarHBondContact O-N 2.86Å; L41-T45 PolarHBondContact O-OG1 3.04Å; L41-T45 VanDerWaalsContact O-OG1 3.14Å; L41-P167 HydrophobicContact CB-CG 4.2Å; L41-P167 HydrophobicContact CD2-CB 4.43Å; L41-F215 HydrophobicContact CD2-CD1 3.9Å; L41-F215 HydrophobicContact CD2-CE1 3.67Å; L41-I218 HydrophobicContact CD2-CD1 3.7Å; L41-I218 HydrophobicContact CG-CD1 4.04Å; L41-I282 HydrophobicContact CD2-CD1 3.89Å; L41-I282 HydrophobicContact CD2-CG1 3.94Å; L41-T283 HydrophobicContact CD1-CG2 4.42Å |
| 42 | K | 94.9 | Very high | 91.3 | Very high | 163 Ų | 163 | 72 Ų | 72 | 71% | 0.709 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.9 | -38.6 | 176.2 | -176.5 | 174.9 | -178.2 | 174.3 | 0 | 112.2 | K38 A39 E40 K46 | K38-K42 WeakPolarHBondContact O-CB 3.47Å; K38-K42 PolarHBondContact O-N 3.17Å; A39-K42 PolarHBondContact O-N 3.42Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 3.43Å; K42-K46 WeakPolarHBondContact O-CB 3.31Å; K42-K46 PolarHBondContact O-N 2.93Å |
| 43 | Q | 97 | Very high | 92.8 | Very high | 142 Ų | 142 | 67.2 Ų | 67.2 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | 176.2 | -176.7 | 177.4 | -2.7 | 0 | 0 | 111.7 | A39 E40 L41 K46 A47 | A39-Q43 PolarHBondContact O-N 3.38Å; E40-Q43 PolarHBondContact O-N 3.07Å; L41-Q43 VanDerWaalsContact C-N 3.29Å; L41-Q43 PolarHBondContact O-N 2.85Å; Q43-K46 PolarHBondContact O-N 2.83Å; Q43-A47 WeakPolarHBondContact O-CB 3.33Å; Q43-A47 PolarHBondContact O-N 3.39Å |
| 44 | A | 97.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E40 L41 A47 Y48 L214 F215 | E40-A44 PolarHBondContact O-N 3.07Å; L41-A44 PolarHBondContact O-N 2.92Å; A44-A47 WeakPolarHBondContact O-CB 3.34Å; A44-A47 PolarHBondContact O-N 3.26Å; A44-Y48 PolarHBondContact O-N 3.3Å; A44-L214 HydrophobicContact CB-CB 4.25Å; A44-F215 HydrophobicContact CB-CD1 3.74Å; A44-F215 HydrophobicContact CB-CE1 3.62Å |
| 45 | T | 96.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 174.2 | -61 | 0 | 0 | 0 | 0 | 111.4 | L41 A47 Y48 D49 I165 P167 M170 | L41-T45 PolarHBondContact O-N 2.86Å; L41-T45 PolarHBondContact O-OG1 3.04Å; L41-T45 VanDerWaalsContact O-OG1 3.14Å; T45-A47 PolarHBondContact O-N 3.43Å; T45-Y48 CarbonylContact O-C 3.53Å; T45-Y48 WeakPolarHBondContact O-CA 3.36Å; T45-Y48 WeakPolarHBondContact O-CB 3.49Å; T45-Y48 PolarHBondContact O-N 2.84Å; T45-D49 PolarHBondContact O-N 3.21Å; T45-I165 HydrophobicContact CG2-CG2 4.17Å; T45-I165 VanDerWaalsContact CG2-O 3.22Å; T45-I165 WeakPolarHBondContact CG2-O 3.13Å; T45-P167 WeakPolarHBondContact OG1-CD 3.47Å; T45-P167 WeakPolarHBondContact OG1-CG 3.44Å; T45-M170 HydrophobicContact CG2-SD 4.36Å |
| 46 | K | 97.5 | Very high | 96 | Very high | 154 Ų | 154 | 57.1 Ų | 57.1 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.1 | -35.9 | 177.1 | -177 | 175.7 | -179.1 | 177.6 | 0 | 113 | K42 Q43 Y48 K50 | K42-K46 WeakPolarHBondContact O-CB 3.31Å; K42-K46 PolarHBondContact O-N 2.93Å; Q43-K46 PolarHBondContact O-N 2.83Å; K46-Y48 VanDerWaalsContact C-N 3.33Å; K46-K50 PolarHBondContact O-N 3.18Å |
| 47 | A | 98.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 58 Ų | 58 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.6 | -31.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q43 A44 T45 Y51 L214 | Q43-A47 WeakPolarHBondContact O-CB 3.33Å; Q43-A47 PolarHBondContact O-N 3.39Å; A44-A47 WeakPolarHBondContact O-CB 3.34Å; A44-A47 PolarHBondContact O-N 3.26Å; T45-A47 PolarHBondContact O-N 3.43Å; A47-Y51 PolarHBondContact O-N 3.36Å; A47-Y51 VanDerWaalsContact O-N 3.14Å; A47-L214 HydrophobicContact CB-CD1 4.48Å; A47-L214 HydrophobicContact CB-CD2 3.68Å |
| 48 | Y | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.1 | -37.5 | 173.4 | -166 | -104.4 | 0 | 0 | 0 | 112.8 | A44 T45 K46 K50 Y51 T52 V95 I165 M170 K210 I211 L214 | A44-Y48 PolarHBondContact O-N 3.3Å; T45-Y48 CarbonylContact O-C 3.53Å; T45-Y48 WeakPolarHBondContact O-CA 3.36Å; T45-Y48 WeakPolarHBondContact O-CB 3.49Å; T45-Y48 PolarHBondContact O-N 2.84Å; K46-Y48 VanDerWaalsContact C-N 3.33Å; Y48-K50 VanDerWaalsContact C-N 3.27Å; Y48-K50 PolarHBondContact O-N 2.82Å; Y48-Y51 HydrophobicContact CD2-CD1 4.01Å; Y48-Y51 AromaticContact CE2-CD1 3.67Å; Y48-Y51 HydrophobicContact CE2-CD1 3.67Å; Y48-Y51 HydrophobicContact CE2-CE1 4.09Å; Y48-Y51 WeakPolarHBondContact O-CB 2.91Å; Y48-Y51 PolarHBondContact O-N 2.95Å; Y48-Y51 VanDerWaalsContact O-N 3.09Å; Y48-T52 WeakPolarHBondContact CE1-OG1 3.4Å; Y48-T52 WeakPolarHBondContact O-CB 3.49Å; Y48-T52 PolarHBondContact O-N 3.29Å; Y48-T52 PolarHBondContact O-OG1 3.34Å; Y48-V95 HydrophobicContact CD1-CG1 4.36Å; Y48-V95 HydrophobicContact CE1-CB 4.44Å; Y48-V95 HydrophobicContact CE1-CG1 3.57Å; Y48-V95 HydrophobicContact CE1-CG2 3.96Å; Y48-I165 HydrophobicContact CD1-CD1 4.45Å; Y48-I165 HydrophobicContact CD1-CG2 4Å; Y48-M170 VanDerWaalsContact CB-CE 3.43Å; Y48-M170 HydrophobicContact CD1-CE 3.97Å; Y48-M170 HydrophobicContact CD1-CG 3.95Å; Y48-M170 HydrophobicContact CD1-SD 4.15Å; Y48-M170 HydrophobicContact CD2-CE 4.11Å; Y48-M170 HydrophobicContact CE1-CG 4.31Å; Y48-M170 HydrophobicContact CG-CE 3.55Å; Y48-M170 HydrophobicContact CG-CG 4.5Å; Y48-M170 HydrophobicContact CG-SD 4.27Å; Y48-K210 HydrophobicContact CD2-CG 4.24Å; Y48-K210 HydrophobicContact CE2-CG 4.24Å; Y48-I211 HydrophobicContact CD2-CG1 3.69Å; Y48-I211 HydrophobicContact CE1-CD1 4.15Å; Y48-I211 HydrophobicContact CE1-CG1 4.3Å; Y48-I211 HydrophobicContact CE2-CD1 3.79Å; Y48-I211 HydrophobicContact CE2-CG1 3.29Å; Y48-I211 HydrophobicContact CG-CG1 4.35Å; Y48-L214 HydrophobicContact CD2-CD1 3.75Å; Y48-L214 HydrophobicContact CG-CD1 4.13Å |
| 49 | D | 97.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 55 Ų | 55 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 172.1 | -61.3 | -21.2 | 0 | 0 | 0 | 109.9 | T45 Y51 T52 D53 I165 | T45-D49 PolarHBondContact O-N 3.21Å; D49-Y51 VanDerWaalsContact C-N 3.35Å; D49-Y51 PolarHBondContact O-N 2.79Å; D49-T52 WeakPolarHBondContact O-CB 3.48Å; D49-T52 PolarHBondContact O-N 3.09Å; D49-D53 PolarHBondContact O-N 2.88Å; D49-I165 VanDerWaalsContact OD1-CB 3.28Å; D49-I165 WeakPolarHBondContact OD1-CB 3.11Å; D49-I165 WeakPolarHBondContact OD1-CD1 3.25Å |
| 50 | K | 98 | Very high | 97.7 | Very high | 131 Ų | 131 | 53 Ų | 53 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 175.9 | -176.8 | 179.7 | 174.5 | -166.9 | 0 | 112.5 | K46 Y48 T52 D53 E54 | K46-K50 PolarHBondContact O-N 3.18Å; Y48-K50 VanDerWaalsContact C-N 3.27Å; Y48-K50 PolarHBondContact O-N 2.82Å; K50-T52 VanDerWaalsContact C-N 3.32Å; K50-D53 PolarHBondContact O-N 3.22Å; K50-E54 WeakPolarHBondContact CE-OE1 3.44Å; K50-E54 IonicContact NZ-OE1 3.55Å; K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 VanDerWaalsContact O-CG 3.32Å; K50-E54 WeakPolarHBondContact O-CG 3.44Å; K50-E54 PolarHBondContact O-N 3.22Å |
| 51 | Y | 98.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.5 | 171.1 | -97.5 | 0 | 0 | 0 | 111.6 | A47 Y48 D49 E54 Q55 R91 K210 | A47-Y51 PolarHBondContact O-N 3.36Å; A47-Y51 VanDerWaalsContact O-N 3.14Å; Y48-Y51 HydrophobicContact CD2-CD1 4.01Å; Y48-Y51 AromaticContact CE2-CD1 3.67Å; Y48-Y51 HydrophobicContact CE2-CD1 3.67Å; Y48-Y51 HydrophobicContact CE2-CE1 4.09Å; Y48-Y51 WeakPolarHBondContact O-CB 2.91Å; Y48-Y51 PolarHBondContact O-N 2.95Å; Y48-Y51 VanDerWaalsContact O-N 3.09Å; D49-Y51 VanDerWaalsContact C-N 3.35Å; D49-Y51 PolarHBondContact O-N 2.79Å; Y51-E54 PolarHBondContact O-N 2.91Å; Y51-Q55 HydrophobicContact CD1-CG 4.27Å; Y51-Q55 HydrophobicContact CE1-CG 3.8Å; Y51-Q55 HydrophobicContact CE2-CG 4.18Å; Y51-Q55 WeakPolarHBondContact O-CG 3.23Å; Y51-Q55 PolarHBondContact O-N 2.97Å; Y51-R91 VanDerWaalsContact OH-CD 3.31Å; Y51-R91 WeakPolarHBondContact OH-CD 3.22Å; Y51-K210 HydrophobicContact CD1-CG 3.86Å; Y51-K210 HydrophobicContact CD2-CD 4.21Å; Y51-K210 HydrophobicContact CD2-CG 3.98Å; Y51-K210 HydrophobicContact CE1-CB 4.24Å; Y51-K210 HydrophobicContact CE1-CG 3.88Å; Y51-K210 HydrophobicContact CE2-CD 4.33Å; Y51-K210 HydrophobicContact CE2-CG 3.98Å; Y51-K210 HydrophobicContact CG-CD 4.46Å; Y51-K210 HydrophobicContact CG-CG 3.89Å |
| 52 | T | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | Y48 D49 K50 E54 Q55 L56 V95 L163 I165 | Y48-T52 WeakPolarHBondContact CE1-OG1 3.4Å; Y48-T52 WeakPolarHBondContact O-CB 3.49Å; Y48-T52 PolarHBondContact O-N 3.29Å; Y48-T52 PolarHBondContact O-OG1 3.34Å; D49-T52 WeakPolarHBondContact O-CB 3.48Å; D49-T52 PolarHBondContact O-N 3.09Å; K50-T52 VanDerWaalsContact C-N 3.32Å; T52-E54 VanDerWaalsContact C-N 3.34Å; T52-E54 PolarHBondContact O-N 3.28Å; T52-Q55 PolarHBondContact O-N 3.06Å; T52-L56 HydrophobicContact CG2-CD1 3.99Å; T52-L56 HydrophobicContact CG2-CG 4.31Å; T52-L56 WeakPolarHBondContact O-CB 3.48Å; T52-L56 WeakPolarHBondContact O-CG 3.38Å; T52-L56 PolarHBondContact O-N 3.24Å; T52-V95 HydrophobicContact CG2-CG2 4.26Å; T52-L163 HydrophobicContact CG2-CD1 4.2Å; T52-I165 HydrophobicContact CG2-CD1 4.33Å |
| 53 | D | 98.1 | Very high | 98.3 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.9 | -46.3 | 172.8 | 177.4 | 63.1 | 0 | 0 | 0 | 111.9 | D49 K50 Q55 L56 N57 | D49-D53 PolarHBondContact O-N 2.88Å; K50-D53 PolarHBondContact O-N 3.22Å; D53-Q55 PolarHBondContact O-N 3.06Å; D53-L56 PolarHBondContact O-N 3.16Å; D53-N57 VanDerWaalsContact O-CB 3.3Å; D53-N57 WeakPolarHBondContact O-CB 3.37Å; D53-N57 PolarHBondContact O-N 3.27Å |
| 54 | E | 98.5 | Very high | 98.3 | Very high | 89 Ų | 89 | 42.8 Ų | 42.8 | 42% | 0.416 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.3 | -74.2 | 172.9 | 175.1 | 0 | 0 | 112.3 | K50 Y51 T52 E58 | K50-E54 WeakPolarHBondContact CE-OE1 3.44Å; K50-E54 IonicContact NZ-OE1 3.55Å; K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 VanDerWaalsContact O-CG 3.32Å; K50-E54 WeakPolarHBondContact O-CG 3.44Å; K50-E54 PolarHBondContact O-N 3.22Å; Y51-E54 PolarHBondContact O-N 2.91Å; T52-E54 VanDerWaalsContact C-N 3.34Å; T52-E54 PolarHBondContact O-N 3.28Å; E54-E58 PolarHBondContact O-N 2.93Å |
| 55 | Q | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -47 | 174.8 | -69.7 | -43.4 | -62.6 | 0 | 0 | 111.7 | Y51 T52 D53 N57 E58 F59 R91 | Y51-Q55 HydrophobicContact CD1-CG 4.27Å; Y51-Q55 HydrophobicContact CE1-CG 3.8Å; Y51-Q55 HydrophobicContact CE2-CG 4.18Å; Y51-Q55 WeakPolarHBondContact O-CG 3.23Å; Y51-Q55 PolarHBondContact O-N 2.97Å; T52-Q55 PolarHBondContact O-N 3.06Å; D53-Q55 PolarHBondContact O-N 3.06Å; Q55-N57 VanDerWaalsContact C-N 3.29Å; Q55-N57 PolarHBondContact O-N 2.73Å; Q55-E58 PolarHBondContact O-N 3.37Å; Q55-F59 WeakPolarHBondContact O-CB 3.4Å; Q55-F59 PolarHBondContact O-N 2.86Å; Q55-R91 HydrophobicContact CG-CB 4.03Å |
| 56 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -30.8 | -179.2 | -67.5 | 179.4 | 0 | 0 | 0 | 112.4 | T52 D53 L60 F99 L156 A160 L163 | T52-L56 HydrophobicContact CG2-CD1 3.99Å; T52-L56 HydrophobicContact CG2-CG 4.31Å; T52-L56 WeakPolarHBondContact O-CB 3.48Å; T52-L56 WeakPolarHBondContact O-CG 3.38Å; T52-L56 PolarHBondContact O-N 3.24Å; D53-L56 PolarHBondContact O-N 3.16Å; L56-L60 WeakPolarHBondContact O-CB 3.05Å; L56-L60 PolarHBondContact O-N 2.95Å; L56-F99 HydrophobicContact CD1-CE1 4.46Å; L56-F99 HydrophobicContact CD2-CZ 4.4Å; L56-L156 HydrophobicContact CD1-CD1 4.23Å; L56-L156 HydrophobicContact CD1-CG 4.07Å; L56-L156 HydrophobicContact CD2-CD2 3.62Å; L56-L156 HydrophobicContact CD2-CG 3.93Å; L56-A160 HydrophobicContact CD1-CB 3.79Å; L56-L163 HydrophobicContact CD1-CD1 4.35Å |
| 57 | N | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.3 | -45.9 | 172.6 | -179.2 | 38.8 | 0 | 0 | 0 | 112.2 | D53 Q55 L60 K61 | D53-N57 VanDerWaalsContact O-CB 3.3Å; D53-N57 WeakPolarHBondContact O-CB 3.37Å; D53-N57 PolarHBondContact O-N 3.27Å; Q55-N57 VanDerWaalsContact C-N 3.29Å; Q55-N57 PolarHBondContact O-N 2.73Å; N57-L60 PolarHBondContact O-N 3.02Å; N57-K61 PolarHBondContact ND2-NZ 3.07Å; N57-K61 WeakPolarHBondContact O-CG 3.48Å; N57-K61 PolarHBondContact O-N 3.14Å; N57-K61 VanDerWaalsContact OD1-CE 3.26Å; N57-K61 WeakPolarHBondContact OD1-CE 3.5Å |
| 58 | E | 98.9 | Very high | 98.6 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.9 | -35.5 | 175.4 | -68.5 | -55.7 | 126.4 | 0 | 0 | 112.1 | E54 Q55 K61 G62 Y88 | E54-E58 PolarHBondContact O-N 2.93Å; Q55-E58 PolarHBondContact O-N 3.37Å; E58-K61 PolarHBondContact O-N 2.89Å; E58-K61 IonicContact OE1-NZ 2.85Å; E58-K61 PolarHBondContact OE1-NZ 2.9Å; E58-G62 PolarHBondContact O-N 3.45Å; E58-Y88 HydrophobicContact CB-CD1 3.5Å; E58-Y88 HydrophobicContact CB-CD2 4.22Å; E58-Y88 HydrophobicContact CB-CE1 3.49Å; E58-Y88 VanDerWaalsContact CB-CE1 3.49Å; E58-Y88 HydrophobicContact CB-CE2 4.22Å; E58-Y88 HydrophobicContact CB-CG 3.9Å; E58-Y88 HydrophobicContact CG-CD1 4.46Å; E58-Y88 HydrophobicContact CG-CE1 4.13Å |
| 59 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 170.4 | 174.8 | -116.5 | 0 | 0 | 0 | 111.7 | Q55 G62 T63 V85 Y89 I106 Y125 A153 | Q55-F59 WeakPolarHBondContact O-CB 3.4Å; Q55-F59 PolarHBondContact O-N 2.86Å; F59-G62 PolarHBondContact O-N 3Å; F59-T63 VanDerWaalsContact O-CB 3.31Å; F59-T63 WeakPolarHBondContact O-CB 3.36Å; F59-T63 PolarHBondContact O-N 2.91Å; F59-T63 PolarHBondContact O-OG1 3.43Å; F59-V85 HydrophobicContact CD2-CG1 4.09Å; F59-V85 HydrophobicContact CE2-CG1 4.43Å; F59-Y89 HydrophobicContact CD1-CD2 4.36Å; F59-Y89 AromaticContact CE1-CD2 3.93Å; F59-Y89 HydrophobicContact CE1-CD2 3.93Å; F59-Y89 HydrophobicContact CE2-CD2 4.26Å; F59-Y89 HydrophobicContact CE2-CG 4.27Å; F59-Y89 AromaticContact CZ-CD2 3.84Å; F59-Y89 HydrophobicContact CZ-CD2 3.84Å; F59-Y89 HydrophobicContact CZ-CG 4.26Å; F59-I106 HydrophobicContact CE1-CD1 4.48Å; F59-I106 HydrophobicContact CE1-CG2 4.35Å; F59-I106 HydrophobicContact CZ-CG2 3.73Å; F59-Y125 HydrophobicContact CE2-CD2 4.25Å; F59-Y125 AromaticContact CE2-CE2 3.33Å; F59-Y125 HydrophobicContact CE2-CE2 3.33Å; F59-Y125 AromaticContact CE2-CZ 3.85Å; F59-Y125 HydrophobicContact CZ-CD2 4.29Å; F59-Y125 AromaticContact CZ-CE2 3.49Å; F59-Y125 HydrophobicContact CZ-CE2 3.49Å; F59-Y125 VanDerWaalsContact CZ-CE2 3.49Å; F59-A153 HydrophobicContact CD1-CB 4.26Å; F59-A153 HydrophobicContact CE1-CB 3.71Å; F59-A153 HydrophobicContact CZ-CB 4.43Å |
| 60 | L | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -50.8 | 176.9 | 172.6 | 57.4 | 0 | 0 | 0 | 111.5 | L56 N57 G62 T63 E64 L150 A153 K154 H157 | L56-L60 WeakPolarHBondContact O-CB 3.05Å; L56-L60 PolarHBondContact O-N 2.95Å; N57-L60 PolarHBondContact O-N 3.02Å; L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 3.28Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 2.63Å; L60-T63 VanDerWaalsContact O-N 3.14Å; L60-E64 HydrophobicContact CD1-CG 4.3Å; L60-E64 WeakPolarHBondContact O-CG 3.38Å; L60-E64 PolarHBondContact O-N 3.11Å; L60-L150 HydrophobicContact CD1-CD1 3.98Å; L60-A153 HydrophobicContact CD1-CB 4.38Å; L60-K154 HydrophobicContact CD1-CB 4.46Å; L60-K154 HydrophobicContact CD1-CG 3.49Å; L60-K154 VanDerWaalsContact CD1-CG 3.49Å; L60-K154 HydrophobicContact CD2-CG 4.34Å; L60-H157 HydrophobicContact CB-CB 4.45Å; L60-H157 HydrophobicContact CD2-CB 3.9Å |
| 61 | K | 98.9 | Very high | 98.8 | Very high | 76 Ų | 76 | 40.5 Ų | 40.5 | 33% | 0.33 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.9 | -38.7 | 177.7 | -68.9 | 173.2 | -163.1 | 158.5 | 0 | 112.2 | N57 E58 K65 | N57-K61 PolarHBondContact ND2-NZ 3.07Å; N57-K61 WeakPolarHBondContact O-CG 3.48Å; N57-K61 PolarHBondContact O-N 3.14Å; N57-K61 VanDerWaalsContact OD1-CE 3.26Å; N57-K61 WeakPolarHBondContact OD1-CE 3.5Å; E58-K61 PolarHBondContact O-N 2.89Å; E58-K61 IonicContact OE1-NZ 2.85Å; E58-K61 PolarHBondContact OE1-NZ 2.9Å; K61-K65 WeakPolarHBondContact O-CG 3.49Å; K61-K65 PolarHBondContact O-N 2.93Å |
| 62 | G | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E58 F59 L60 E64 K65 F66 | E58-G62 PolarHBondContact O-N 3.45Å; F59-G62 PolarHBondContact O-N 3Å; L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 3.28Å; G62-E64 VanDerWaalsContact C-N 3.34Å; G62-E64 PolarHBondContact O-N 2.75Å; G62-K65 WeakPolarHBondContact O-CB 3.5Å; G62-K65 PolarHBondContact O-N 2.89Å; G62-K65 VanDerWaalsContact O-N 3.13Å; G62-F66 WeakPolarHBondContact O-CB 3.35Å; G62-F66 PolarHBondContact O-N 2.85Å |
| 63 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 178 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | F59 L60 K65 F66 V67 Y125 L149 L150 A153 | F59-T63 VanDerWaalsContact O-CB 3.31Å; F59-T63 WeakPolarHBondContact O-CB 3.36Å; F59-T63 PolarHBondContact O-N 2.91Å; F59-T63 PolarHBondContact O-OG1 3.43Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 2.63Å; L60-T63 VanDerWaalsContact O-N 3.14Å; T63-K65 VanDerWaalsContact C-N 3.33Å; T63-K65 PolarHBondContact O-N 2.82Å; T63-F66 PolarHBondContact O-N 3.4Å; T63-V67 HydrophobicContact CG2-CG2 4.07Å; T63-V67 WeakPolarHBondContact O-CB 3.3Å; T63-V67 WeakPolarHBondContact O-CG2 3.4Å; T63-V67 PolarHBondContact O-N 3.4Å; T63-Y125 PolarHBondContact OG1-OH 3.07Å; T63-L149 HydrophobicContact CG2-CD2 4.25Å; T63-L149 HydrophobicContact CG2-CG 3.99Å; T63-L150 HydrophobicContact CG2-CD1 4.14Å; T63-A153 HydrophobicContact CG2-CB 4.06Å |
| 64 | E | 98.9 | Very high | 98.8 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 173.3 | -74.7 | -179.8 | 154.7 | 0 | 0 | 112.4 | L60 G62 K68 L150 | L60-E64 HydrophobicContact CD1-CG 4.3Å; L60-E64 WeakPolarHBondContact O-CG 3.38Å; L60-E64 PolarHBondContact O-N 3.11Å; G62-E64 VanDerWaalsContact C-N 3.34Å; G62-E64 PolarHBondContact O-N 2.75Å; E64-K68 VanDerWaalsContact O-CB 3.3Å; E64-K68 WeakPolarHBondContact O-CB 3.39Å; E64-K68 PolarHBondContact O-N 3.2Å; E64-L150 HydrophobicContact CB-CD1 4.45Å; E64-L150 HydrophobicContact CG-CD1 3.56Å |
| 65 | K | 98.9 | Very high | 98.8 | Very high | 129 Ų | 129 | 47.6 Ų | 47.6 | 56% | 0.561 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67.6 | -41.6 | 176.7 | -67.6 | 169.6 | -174.2 | 169.9 | 0 | 111.8 | K61 G62 T63 K68 A69 L81 | K61-K65 WeakPolarHBondContact O-CG 3.49Å; K61-K65 PolarHBondContact O-N 2.93Å; G62-K65 WeakPolarHBondContact O-CB 3.5Å; G62-K65 PolarHBondContact O-N 2.89Å; G62-K65 VanDerWaalsContact O-N 3.13Å; T63-K65 VanDerWaalsContact C-N 3.33Å; T63-K65 PolarHBondContact O-N 2.82Å; K65-K68 PolarHBondContact O-N 3.31Å; K65-A69 PolarHBondContact O-N 3.35Å; K65-L81 HydrophobicContact CB-CD1 3.96Å |
| 66 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 178.7 | 175.2 | -119.1 | 0 | 0 | 0 | 111.2 | G62 T63 K68 A69 I70 A78 L81 Y82 Y125 I128 L132 L149 | G62-F66 WeakPolarHBondContact O-CB 3.35Å; G62-F66 PolarHBondContact O-N 2.85Å; T63-F66 PolarHBondContact O-N 3.4Å; F66-K68 PolarHBondContact O-N 3.37Å; F66-A69 WeakPolarHBondContact O-CB 3.29Å; F66-A69 PolarHBondContact O-N 2.9Å; F66-A69 VanDerWaalsContact O-N 3.1Å; F66-I70 HydrophobicContact CD1-CD1 4.09Å; F66-I70 HydrophobicContact CD2-CD1 4.46Å; F66-I70 HydrophobicContact CE1-CD1 3.66Å; F66-I70 HydrophobicContact CE2-CD1 4.06Å; F66-I70 HydrophobicContact CG-CD1 4.48Å; F66-I70 HydrophobicContact CZ-CD1 3.66Å; F66-I70 PolarHBondContact O-N 3.03Å; F66-I70 VanDerWaalsContact O-N 3.08Å; F66-A78 HydrophobicContact CD2-CB 4.38Å; F66-A78 HydrophobicContact CE2-CB 4.09Å; F66-A78 WeakPolarHBondContact CE2-O 3.34Å; F66-L81 HydrophobicContact CB-CB 4.4Å; F66-L81 HydrophobicContact CB-CD1 4.45Å; F66-L81 HydrophobicContact CD2-CB 4.17Å; F66-Y82 HydrophobicContact CE2-CD2 4.28Å; F66-Y82 AromaticContact CZ-CD2 3.92Å; F66-Y82 HydrophobicContact CZ-CD2 3.92Å; F66-Y125 AromaticContact CD1-CE1 3.72Å; F66-Y125 HydrophobicContact CD1-CE1 3.72Å; F66-Y125 HydrophobicContact CE1-CD1 4.02Å; F66-Y125 AromaticContact CE1-CE1 3.66Å; F66-Y125 HydrophobicContact CE1-CE1 3.66Å; F66-Y125 HydrophobicContact CG-CE1 4.46Å; F66-Y125 HydrophobicContact CZ-CE1 4.36Å; F66-I128 HydrophobicContact CE1-CD1 4.22Å; F66-I128 HydrophobicContact CE1-CG2 3.92Å; F66-I128 HydrophobicContact CZ-CB 4.44Å; F66-I128 HydrophobicContact CZ-CG2 3.56Å; F66-L132 HydrophobicContact CE2-CD1 3.86Å; F66-L132 HydrophobicContact CZ-CD1 3.99Å; F66-L149 HydrophobicContact CD1-CD2 4.18Å; F66-L149 HydrophobicContact CE1-CD2 4.04Å |
| 67 | V | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 111 | T63 A69 I70 E71 A146 L150 | T63-V67 HydrophobicContact CG2-CG2 4.07Å; T63-V67 WeakPolarHBondContact O-CB 3.3Å; T63-V67 WeakPolarHBondContact O-CG2 3.4Å; T63-V67 PolarHBondContact O-N 3.4Å; V67-A69 VanDerWaalsContact C-N 3.31Å; V67-A69 PolarHBondContact O-N 2.89Å; V67-I70 WeakPolarHBondContact O-CB 3.4Å; V67-I70 PolarHBondContact O-N 2.89Å; V67-I70 VanDerWaalsContact O-N 3.14Å; V67-E71 WeakPolarHBondContact O-CG 3.43Å; V67-E71 PolarHBondContact O-N 3.14Å; V67-A146 HydrophobicContact CG1-CB 4.15Å; V67-A146 HydrophobicContact CG2-CB 4.1Å; V67-A146 WeakPolarHBondContact CG2-O 3.41Å; V67-L150 HydrophobicContact CG1-CB 4.46Å; V67-L150 HydrophobicContact CG1-CD2 4.27Å; V67-L150 HydrophobicContact CG2-CB 4.12Å |
| 68 | K | 98.9 | Very high | 98.8 | Very high | 131 Ų | 131 | 51.8 Ų | 51.8 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.2 | -37 | 172.6 | -176.3 | 173.6 | -177.9 | 177.5 | 0 | 112.7 | E64 K65 F66 I70 N72 | E64-K68 VanDerWaalsContact O-CB 3.3Å; E64-K68 WeakPolarHBondContact O-CB 3.39Å; E64-K68 PolarHBondContact O-N 3.2Å; K65-K68 PolarHBondContact O-N 3.31Å; F66-K68 PolarHBondContact O-N 3.37Å; K68-I70 VanDerWaalsContact C-N 3.35Å; K68-N72 WeakPolarHBondContact CG-ND2 3.4Å; K68-N72 WeakPolarHBondContact O-CB 3.49Å; K68-N72 VanDerWaalsContact O-CG 3.29Å; K68-N72 PolarHBondContact O-N 2.85Å; K68-N72 VanDerWaalsContact O-N 3.14Å; K68-N72 PolarHBondContact O-ND2 2.86Å |
| 69 | A | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K65 F66 V67 N72 N73 D74 Q77 A78 L81 | K65-A69 PolarHBondContact O-N 3.35Å; F66-A69 WeakPolarHBondContact O-CB 3.29Å; F66-A69 PolarHBondContact O-N 2.9Å; F66-A69 VanDerWaalsContact O-N 3.1Å; V67-A69 VanDerWaalsContact C-N 3.31Å; V67-A69 PolarHBondContact O-N 2.89Å; A69-N72 PolarHBondContact O-N 2.9Å; A69-N73 PolarHBondContact O-N 3.3Å; A69-D74 HydrophobicContact CB-CB 4.39Å; A69-D74 PolarHBondContact O-N 3.25Å; A69-Q77 HydrophobicContact CB-CB 4Å; A69-Q77 HydrophobicContact CB-CG 3.84Å; A69-A78 HydrophobicContact CB-CB 4.14Å; A69-L81 HydrophobicContact CB-CD1 4.4Å |
| 70 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.7 | -64.1 | 168.9 | 0 | 0 | 0 | 111.4 | F66 V67 K68 N72 N73 A78 I128 I138 T142 K143 A146 | F66-I70 HydrophobicContact CD1-CD1 4.09Å; F66-I70 HydrophobicContact CD2-CD1 4.46Å; F66-I70 HydrophobicContact CE1-CD1 3.66Å; F66-I70 HydrophobicContact CE2-CD1 4.06Å; F66-I70 HydrophobicContact CG-CD1 4.48Å; F66-I70 HydrophobicContact CZ-CD1 3.66Å; F66-I70 PolarHBondContact O-N 3.03Å; F66-I70 VanDerWaalsContact O-N 3.08Å; V67-I70 WeakPolarHBondContact O-CB 3.4Å; V67-I70 PolarHBondContact O-N 2.89Å; V67-I70 VanDerWaalsContact O-N 3.14Å; K68-I70 VanDerWaalsContact C-N 3.35Å; I70-N72 PolarHBondContact O-N 3.14Å; I70-N73 PolarHBondContact O-N 3.35Å; I70-A78 HydrophobicContact CG1-CB 4.19Å; I70-I128 HydrophobicContact CD1-CD1 4.46Å; I70-I128 HydrophobicContact CD1-CG2 3.57Å; I70-I138 HydrophobicContact CG2-CG2 3.86Å; I70-I138 VanDerWaalsContact O-CG2 3.26Å; I70-I138 WeakPolarHBondContact O-CG2 3.36Å; I70-T142 HydrophobicContact CG2-CG2 4.04Å; I70-K143 HydrophobicContact CG2-CG 4.1Å; I70-A146 HydrophobicContact CB-CB 4.15Å; I70-A146 HydrophobicContact CD1-CB 3.64Å; I70-A146 HydrophobicContact CG2-CB 3.86Å |
| 71 | E | 98.7 | Very high | 98.8 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.6 | -39.6 | 177.6 | -72.7 | 178.1 | 144.3 | 0 | 0 | 112.4 | V67 N73 Q147 | V67-E71 WeakPolarHBondContact O-CG 3.43Å; V67-E71 PolarHBondContact O-N 3.14Å; E71-N73 PolarHBondContact O-N 3.36Å; E71-Q147 PolarHBondContact OE1-NE2 3.32Å |
| 72 | N | 98.7 | Very high | 98.8 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0.7 | 179 | -67.2 | -40.8 | 0 | 0 | 0 | 114 | K68 A69 I70 D74 | K68-N72 WeakPolarHBondContact CG-ND2 3.4Å; K68-N72 WeakPolarHBondContact O-CB 3.49Å; K68-N72 VanDerWaalsContact O-CG 3.29Å; K68-N72 PolarHBondContact O-N 2.85Å; K68-N72 VanDerWaalsContact O-N 3.14Å; K68-N72 PolarHBondContact O-ND2 2.86Å; A69-N72 PolarHBondContact O-N 2.9Å; I70-N72 PolarHBondContact O-N 3.14Å; N72-D74 PolarHBondContact O-N 3.38Å |
| 73 | N | 98.7 | Very high | 98.8 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 28.8 | -172.2 | -41.6 | -85.9 | 0 | 0 | 0 | 113.5 | A69 I70 E71 M75 K143 | A69-N73 PolarHBondContact O-N 3.3Å; I70-N73 PolarHBondContact O-N 3.35Å; E71-N73 PolarHBondContact O-N 3.36Å; N73-M75 PolarHBondContact O-N 2.98Å; N73-M75 VanDerWaalsContact O-N 3.14Å; N73-K143 WeakPolarHBondContact OD1-CE 3.49Å; N73-K143 PolarHBondContact OD1-NZ 3.22Å |
| 74 | D | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | trans | -85.7 | 82.1 | 178.2 | -169.1 | -18.2 | 0 | 0 | 0 | 110.5 | A69 N72 A76 Q77 A78 | A69-D74 HydrophobicContact CB-CB 4.39Å; A69-D74 PolarHBondContact O-N 3.25Å; N72-D74 PolarHBondContact O-N 3.38Å; D74-A76 VanDerWaalsContact C-N 3.29Å; D74-A76 PolarHBondContact O-N 3.1Å; D74-A76 PolarHBondContact OD1-N 3.49Å; D74-Q77 HydrophobicContact CB-CB 4.07Å; D74-Q77 PolarHBondContact O-N 3.31Å; D74-Q77 WeakPolarHBondContact OD1-CB 3.47Å; D74-Q77 PolarHBondContact OD1-N 2.94Å; D74-Q77 VanDerWaalsContact OD2-CB 3.28Å; D74-Q77 WeakPolarHBondContact OD2-CB 3.41Å; D74-A78 WeakPolarHBondContact O-CB 3.3Å; D74-A78 PolarHBondContact O-N 3.46Å | ||
| 75 | M | 98.7 | Very high | 98.8 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.9 | -40.3 | -180 | -179.4 | 65.6 | 71.4 | 0 | 0 | 112.7 | N73 K79 L132 I138 | N73-M75 PolarHBondContact O-N 2.98Å; N73-M75 VanDerWaalsContact O-N 3.14Å; M75-K79 HydrophobicContact CG-CD 4.44Å; M75-K79 WeakPolarHBondContact O-CB 3.42Å; M75-K79 WeakPolarHBondContact O-CG 3.19Å; M75-K79 PolarHBondContact O-N 3.09Å; M75-K79 HydrophobicContact SD-CD 4.25Å; M75-K79 HydrophobicContact SD-CG 4.32Å; M75-L132 HydrophobicContact CE-CD2 4.15Å; M75-L132 HydrophobicContact SD-CB 4.15Å; M75-L132 HydrophobicContact SD-CD2 3.67Å; M75-L132 HydrophobicContact SD-CG 4.5Å; M75-I138 HydrophobicContact CB-CD1 4.36Å; M75-I138 HydrophobicContact CE-CD1 4.19Å; M75-I138 HydrophobicContact CE-CG1 3.95Å |
| 76 | A | 98.5 | Very high | 98.7 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 61% | 0.612 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68.4 | -46.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D74 K79 A80 | D74-A76 VanDerWaalsContact C-N 3.29Å; D74-A76 PolarHBondContact O-N 3.1Å; D74-A76 PolarHBondContact OD1-N 3.49Å; A76-K79 PolarHBondContact O-N 2.97Å; A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 2.93Å |
| 77 | Q | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 45.6 Ų | 45.6 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 177 | -174.8 | 67 | 3 | 0 | 0 | 111.9 | A69 D74 A80 L81 | A69-Q77 HydrophobicContact CB-CB 4Å; A69-Q77 HydrophobicContact CB-CG 3.84Å; D74-Q77 HydrophobicContact CB-CB 4.07Å; D74-Q77 PolarHBondContact O-N 3.31Å; D74-Q77 WeakPolarHBondContact OD1-CB 3.47Å; D74-Q77 PolarHBondContact OD1-N 2.94Å; D74-Q77 VanDerWaalsContact OD2-CB 3.28Å; D74-Q77 WeakPolarHBondContact OD2-CB 3.41Å; Q77-A80 PolarHBondContact O-N 3.48Å; Q77-L81 HydrophobicContact CG-CD1 3.86Å; Q77-L81 HydrophobicContact CG-CG 4.35Å; Q77-L81 WeakPolarHBondContact O-CB 3.45Å; Q77-L81 VanDerWaalsContact O-CG 3.3Å; Q77-L81 WeakPolarHBondContact O-CG 3.4Å; Q77-L81 PolarHBondContact O-N 2.97Å |
| 78 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.4 | -49 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F66 A69 I70 D74 A80 L81 Y82 L132 | F66-A78 HydrophobicContact CD2-CB 4.38Å; F66-A78 HydrophobicContact CE2-CB 4.09Å; F66-A78 WeakPolarHBondContact CE2-O 3.34Å; A69-A78 HydrophobicContact CB-CB 4.14Å; I70-A78 HydrophobicContact CG1-CB 4.19Å; D74-A78 WeakPolarHBondContact O-CB 3.3Å; D74-A78 PolarHBondContact O-N 3.46Å; A78-A80 PolarHBondContact O-N 2.92Å; A78-L81 PolarHBondContact O-N 3.42Å; A78-Y82 WeakPolarHBondContact O-CB 3.46Å; A78-Y82 PolarHBondContact O-N 3.31Å; A78-L132 HydrophobicContact CB-CD1 3.92Å; A78-L132 HydrophobicContact CB-CD2 4.16Å |
| 79 | K | 98.7 | Very high | 98.7 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.2 | -72.7 | -172.4 | 170.8 | -175.9 | 0 | 113.2 | M75 A76 L81 P83 L132 Y133 | M75-K79 HydrophobicContact CG-CD 4.44Å; M75-K79 WeakPolarHBondContact O-CB 3.42Å; M75-K79 WeakPolarHBondContact O-CG 3.19Å; M75-K79 PolarHBondContact O-N 3.09Å; M75-K79 HydrophobicContact SD-CD 4.25Å; M75-K79 HydrophobicContact SD-CG 4.32Å; A76-K79 PolarHBondContact O-N 2.97Å; K79-L81 VanDerWaalsContact C-N 3.34Å; K79-L81 PolarHBondContact O-N 3.41Å; K79-P83 VanDerWaalsContact O-CD 3.23Å; K79-P83 WeakPolarHBondContact O-CD 3.43Å; K79-L132 VanDerWaalsContact CE-C 3.49Å; K79-L132 WeakPolarHBondContact CE-O 3.38Å; K79-L132 HydrophobicContact CG-CB 4.34Å; K79-L132 PolarHBondContact NZ-O 2.96Å; K79-Y133 WeakPolarHBondContact CA-OH 3.05Å; K79-Y133 HydrophobicContact CB-CE1 4.37Å; K79-Y133 HydrophobicContact CD-CD1 4.17Å; K79-Y133 HydrophobicContact CD-CE1 3.77Å; K79-Y133 HydrophobicContact CG-CE1 3.94Å; K79-Y133 HydrophobicContact CG-CE2 4.11Å; K79-Y133 PolarHBondContact O-OH 3.26Å; K79-Y133 VanDerWaalsContact O-OH 3.14Å |
| 80 | A | 98.3 | Very high | 98.7 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.4 | -32.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A76 Q77 A78 K84 | A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 2.93Å; Q77-A80 PolarHBondContact O-N 3.48Å; A78-A80 PolarHBondContact O-N 2.92Å; A80-K84 WeakPolarHBondContact O-CD 3.49Å |
| 81 | L | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -80.9 | -40.5 | 178.2 | -73.7 | 171.8 | 0 | 0 | 0 | 112.4 | K65 F66 A69 Q77 A78 K79 K84 V85 | K65-L81 HydrophobicContact CB-CD1 3.96Å; F66-L81 HydrophobicContact CB-CB 4.4Å; F66-L81 HydrophobicContact CB-CD1 4.45Å; F66-L81 HydrophobicContact CD2-CB 4.17Å; A69-L81 HydrophobicContact CB-CD1 4.4Å; Q77-L81 HydrophobicContact CG-CD1 3.86Å; Q77-L81 HydrophobicContact CG-CG 4.35Å; Q77-L81 WeakPolarHBondContact O-CB 3.45Å; Q77-L81 VanDerWaalsContact O-CG 3.3Å; Q77-L81 WeakPolarHBondContact O-CG 3.4Å; Q77-L81 PolarHBondContact O-N 2.97Å; A78-L81 PolarHBondContact O-N 3.42Å; K79-L81 VanDerWaalsContact C-N 3.34Å; K79-L81 PolarHBondContact O-N 3.41Å; L81-K84 PolarHBondContact O-N 3.28Å; L81-V85 HydrophobicContact CB-CG2 4.23Å; L81-V85 HydrophobicContact CD2-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CG2 3.12Å; L81-V85 PolarHBondContact O-N 3.11Å |
| 82 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -40.4 | -64.1 | -172.4 | 173.5 | -89.7 | 0 | 0 | 0 | 114 | F66 A78 K84 V85 R86 Y125 E129 Y133 E191 | F66-Y82 HydrophobicContact CE2-CD2 4.28Å; F66-Y82 AromaticContact CZ-CD2 3.92Å; F66-Y82 HydrophobicContact CZ-CD2 3.92Å; A78-Y82 WeakPolarHBondContact O-CB 3.46Å; A78-Y82 PolarHBondContact O-N 3.31Å; Y82-K84 VanDerWaalsContact C-N 3.32Å; Y82-K84 PolarHBondContact O-N 3.14Å; Y82-V85 PolarHBondContact O-N 3.09Å; Y82-R86 PolarHBondContact O-N 2.86Å; Y82-R86 VanDerWaalsContact O-N 3.15Å; Y82-R86 VanDerWaalsContact OH-CD 3.32Å; Y82-R86 WeakPolarHBondContact OH-CD 3.31Å; Y82-Y125 AromaticContact CD2-CD1 3.86Å; Y82-Y125 HydrophobicContact CD2-CD1 3.86Å; Y82-Y125 HydrophobicContact CD2-CE1 4.46Å; Y82-Y125 AromaticContact CE2-CD1 3.74Å; Y82-Y125 HydrophobicContact CE2-CD1 3.74Å; Y82-Y125 HydrophobicContact CE2-CG 4.45Å; Y82-E129 HydrophobicContact CE1-CB 4.47Å; Y82-E129 HydrophobicContact CE1-CG 3.96Å; Y82-E129 HydrophobicContact CE2-CB 3.65Å; Y82-E129 HydrophobicContact CE2-CG 4.05Å; Y82-E129 WeakPolarHBondContact OH-CB 3.32Å; Y82-E129 WeakPolarHBondContact OH-CG 3.46Å; Y82-Y133 HydrophobicContact CD1-CE2 4.16Å; Y82-Y133 HydrophobicContact CG-CE2 4.3Å; Y82-E191 WeakPolarHBondContact CE1-OE1 3.41Å; Y82-E191 WeakPolarHBondContact CE1-OE2 3.46Å; Y82-E191 VanDerWaalsContact OH-CD 3.24Å; Y82-E191 PolarHBondContact OH-OE1 3.19Å; Y82-E191 PolarHBondContact OH-OE2 2.68Å |
| 83 | P | 98.6 | Very high | 98.7 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.6 | -30.7 | -173.8 | 30.8 | -35.3 | 0 | 0 | 0 | 112 | K79 M87 T196 Y199 | K79-P83 VanDerWaalsContact O-CD 3.23Å; K79-P83 WeakPolarHBondContact O-CD 3.43Å; P83-M87 WeakPolarHBondContact O-CG 3.26Å; P83-M87 PolarHBondContact O-N 3.16Å; P83-T196 HydrophobicContact CB-CG2 3.81Å; P83-T196 HydrophobicContact CG-CG2 4.02Å; P83-Y199 HydrophobicContact CB-CD1 3.85Å; P83-Y199 HydrophobicContact CB-CD2 3.94Å; P83-Y199 HydrophobicContact CB-CE1 4.18Å; P83-Y199 HydrophobicContact CB-CE2 4.24Å; P83-Y199 HydrophobicContact CB-CG 3.73Å; P83-Y199 HydrophobicContact CG-CD1 4.4Å; P83-Y199 HydrophobicContact CG-CE1 4.23Å; P83-Y199 HydrophobicContact CG-CE2 4.4Å |
| 84 | K | 98.6 | Very high | 98.7 | Very high | 94 Ų | 94 | 32.5 Ų | 32.5 | 41% | 0.409 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.7 | -35.9 | -178.9 | -63.1 | -178.6 | -176.7 | -179.9 | 0 | 112.1 | A80 L81 Y82 Y199 | A80-K84 WeakPolarHBondContact O-CD 3.49Å; L81-K84 PolarHBondContact O-N 3.28Å; Y82-K84 VanDerWaalsContact C-N 3.32Å; Y82-K84 PolarHBondContact O-N 3.14Å; K84-Y199 HydrophobicContact CG-CE1 4.08Å |
| 85 | V | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74.9 | -42.5 | 178.1 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | F59 L81 Y82 M87 Y88 Y125 | F59-V85 HydrophobicContact CD2-CG1 4.09Å; F59-V85 HydrophobicContact CE2-CG1 4.43Å; L81-V85 HydrophobicContact CB-CG2 4.23Å; L81-V85 HydrophobicContact CD2-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CG2 3.12Å; L81-V85 PolarHBondContact O-N 3.11Å; Y82-V85 PolarHBondContact O-N 3.09Å; V85-M87 VanDerWaalsContact C-N 3.25Å; V85-M87 PolarHBondContact O-N 3.08Å; V85-Y88 WeakPolarHBondContact O-CD2 3.21Å; V85-Y88 PolarHBondContact O-N 2.78Å; V85-Y88 VanDerWaalsContact O-N 3.1Å; V85-Y125 WeakPolarHBondContact CG1-OH 3.44Å |
| 86 | R | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.1 | -41 | 175.4 | -79.1 | -171.1 | 60.1 | 111.9 | -4 | 112.7 | Y82 Y88 Y89 E90 D107 Y125 H126 E190 E191 D200 | Y82-R86 PolarHBondContact O-N 2.86Å; Y82-R86 VanDerWaalsContact O-N 3.15Å; Y82-R86 VanDerWaalsContact OH-CD 3.32Å; Y82-R86 WeakPolarHBondContact OH-CD 3.31Å; R86-Y88 PolarHBondContact O-N 3.1Å; R86-Y89 WeakPolarHBondContact O-CA 3.32Å; R86-Y89 WeakPolarHBondContact O-CB 3.34Å; R86-Y89 PolarHBondContact O-N 3.16Å; R86-E90 HydrophobicContact CB-CG 4.46Å; R86-E90 IonicContact CZ-OE1 2.72Å; R86-E90 IonicContact NE-OE1 2.8Å; R86-E90 IonicContact NH2-OE1 3.54Å; R86-E90 PolarHBondContact NH2-OE1 3.01Å; R86-E90 VanDerWaalsContact O-CG 3.31Å; R86-E90 WeakPolarHBondContact O-CG 3.47Å; R86-E90 PolarHBondContact O-N 3.38Å; R86-D107 IonicContact CZ-OD1 2.85Å; R86-D107 IonicContact CZ-OD2 3.29Å; R86-D107 IonicContact NE-OD1 2.8Å; R86-D107 IonicContact NH1-OD1 3.49Å; R86-D107 PolarHBondContact NH1-OD1 3.01Å; R86-D107 IonicContact NH2-OD1 2.75Å; R86-D107 PolarHBondContact NH2-OD1 3.39Å; R86-D107 VanDerWaalsContact NH2-OD1 3.08Å; R86-D107 IonicContact NH2-OD2 3.73Å; R86-D107 PolarHBondContact NH2-OD2 3.24Å; R86-Y125 HydrophobicContact CG-CD1 3.74Å; R86-Y125 HydrophobicContact CG-CD2 4.44Å; R86-Y125 HydrophobicContact CG-CE1 4.09Å; R86-Y125 HydrophobicContact CG-CG 3.94Å; R86-Y125 VanDerWaalsContact NH1-CB 3.34Å; R86-H126 PolarHBondContact NH1-CD2 3.39Å; R86-H126 PolarHBondContact NH1-CE1 3.35Å; R86-H126 PolarHBondContact NH1-NE2 3.46Å; R86-H126 PolarHBondContact NH2-CE1 3.14Å; R86-H126 PolarHBondContact NH2-NE2 3.1Å; R86-E190 IonicContact NH2-OE1 3.07Å; R86-E190 PolarHBondContact NH2-OE1 3.37Å; R86-E191 WeakPolarHBondContact CD-OE1 3.45Å; R86-E191 IonicContact CZ-OE1 3.35Å; R86-E191 IonicContact NE-OE1 2.7Å; R86-E191 PolarHBondContact NE-OE1 3.38Å; R86-E191 IonicContact NH1-OE1 3.42Å; R86-E191 IonicContact NH2-OE1 3.66Å; R86-D200 IonicContact NE-OD1 3.07Å |
| 87 | M | 98.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -49.5 | -28.4 | 176.7 | -70 | -171.7 | 88.5 | 0 | 0 | 115.1 | P83 V85 R91 Y199 K202 A203 Y251 | P83-M87 WeakPolarHBondContact O-CG 3.26Å; P83-M87 PolarHBondContact O-N 3.16Å; V85-M87 VanDerWaalsContact C-N 3.25Å; V85-M87 PolarHBondContact O-N 3.08Å; M87-R91 VanDerWaalsContact O-CG 3.31Å; M87-R91 WeakPolarHBondContact O-CG 3.13Å; M87-R91 PolarHBondContact O-N 3.49Å; M87-R91 PolarHBondContact O-NH1 3.32Å; M87-Y199 HydrophobicContact CG-CD1 4.07Å; M87-Y199 HydrophobicContact SD-CD1 3.65Å; M87-Y199 HydrophobicContact SD-CG 4.42Å; M87-K202 HydrophobicContact CE-CB 3.98Å; M87-K202 HydrophobicContact CE-CG 3.88Å; M87-A203 HydrophobicContact CB-CB 4Å; M87-A203 HydrophobicContact CE-CB 4.2Å; M87-A203 HydrophobicContact CG-CB 4.2Å; M87-A203 WeakPolarHBondContact O-CB 3.35Å; M87-Y251 HydrophobicContact CE-CE2 4.32Å |
| 88 | Y | 98.9 | Very high | 98.5 | Very high | 72 Ų | 72 | 28.6 Ų | 28.6 | 28% | 0.282 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -70.4 | -42.5 | 175.2 | -63.1 | -67.4 | 0 | 0 | 0 | 112 | E58 V85 R86 | E58-Y88 HydrophobicContact CB-CD1 3.5Å; E58-Y88 HydrophobicContact CB-CD2 4.22Å; E58-Y88 HydrophobicContact CB-CE1 3.49Å; E58-Y88 VanDerWaalsContact CB-CE1 3.49Å; E58-Y88 HydrophobicContact CB-CE2 4.22Å; E58-Y88 HydrophobicContact CB-CG 3.9Å; E58-Y88 HydrophobicContact CG-CD1 4.46Å; E58-Y88 HydrophobicContact CG-CE1 4.13Å; V85-Y88 WeakPolarHBondContact O-CD2 3.21Å; V85-Y88 PolarHBondContact O-N 2.78Å; V85-Y88 VanDerWaalsContact O-N 3.1Å; R86-Y88 PolarHBondContact O-N 3.1Å |
| 89 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -48.7 | 174.7 | -174.9 | -93.8 | 0 | 0 | 0 | 111.3 | F59 R86 R91 S92 E93 F99 D103 I106 D107 L156 | F59-Y89 HydrophobicContact CD1-CD2 4.36Å; F59-Y89 AromaticContact CE1-CD2 3.93Å; F59-Y89 HydrophobicContact CE1-CD2 3.93Å; F59-Y89 HydrophobicContact CE2-CD2 4.26Å; F59-Y89 HydrophobicContact CE2-CG 4.27Å; F59-Y89 AromaticContact CZ-CD2 3.84Å; F59-Y89 HydrophobicContact CZ-CD2 3.84Å; F59-Y89 HydrophobicContact CZ-CG 4.26Å; R86-Y89 WeakPolarHBondContact O-CA 3.32Å; R86-Y89 WeakPolarHBondContact O-CB 3.34Å; R86-Y89 PolarHBondContact O-N 3.16Å; Y89-R91 PolarHBondContact O-N 3.22Å; Y89-S92 CarbonylContact O-C 3.46Å; Y89-S92 WeakPolarHBondContact O-CA 3.37Å; Y89-S92 WeakPolarHBondContact O-CB 3.35Å; Y89-S92 PolarHBondContact O-N 2.94Å; Y89-S92 PolarHBondContact O-OG 3.22Å; Y89-E93 PolarHBondContact O-N 3.19Å; Y89-F99 AromaticContact CE2-CD2 3.96Å; Y89-F99 HydrophobicContact CE2-CD2 3.96Å; Y89-F99 AromaticContact CE2-CE2 3.84Å; Y89-F99 HydrophobicContact CE2-CE2 3.84Å; Y89-D103 WeakPolarHBondContact OH-CA 3.28Å; Y89-D103 PolarHBondContact OH-OD1 3.12Å; Y89-I106 HydrophobicContact CD2-CG2 4.01Å; Y89-I106 HydrophobicContact CE2-CB 4.35Å; Y89-I106 HydrophobicContact CE2-CD1 4.24Å; Y89-I106 HydrophobicContact CE2-CG2 3.77Å; Y89-D107 HydrophobicContact CD1-CB 4.35Å; Y89-D107 HydrophobicContact CE1-CB 3.65Å; Y89-L156 HydrophobicContact CD2-CD2 4.15Å; Y89-L156 HydrophobicContact CE2-CD2 3.72Å |
| 90 | E | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.3 | -30.3 | -180 | -63.8 | -68.8 | 162.7 | 0 | 0 | 113.4 | R86 S92 E93 K185 D200 A203 N204 | R86-E90 HydrophobicContact CB-CG 4.46Å; R86-E90 IonicContact CZ-OE1 2.72Å; R86-E90 IonicContact NE-OE1 2.8Å; R86-E90 IonicContact NH2-OE1 3.54Å; R86-E90 PolarHBondContact NH2-OE1 3.01Å; R86-E90 VanDerWaalsContact O-CG 3.31Å; R86-E90 WeakPolarHBondContact O-CG 3.47Å; R86-E90 PolarHBondContact O-N 3.38Å; E90-S92 VanDerWaalsContact C-N 3.27Å; E90-S92 PolarHBondContact O-N 3.29Å; E90-E93 WeakPolarHBondContact O-CB 3.43Å; E90-E93 PolarHBondContact O-N 2.75Å; E90-K185 IonicContact OE2-NZ 3.22Å; E90-D200 HydrophobicContact CG-CB 4.16Å; E90-A203 HydrophobicContact CB-CB 3.34Å; E90-A203 HydrophobicContact CG-CB 4.36Å; E90-N204 PolarHBondContact O-ND2 3.05Å; E90-N204 PolarHBondContact OE2-ND2 3.38Å |
| 91 | R | 98.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 32.2 Ų | 32.2 | 15% | 0.151 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.2 | 172.9 | -79.7 | -177.4 | -154.5 | 102.3 | 8.5 | 113.8 | Y51 Q55 M87 Y89 A203 E206 G207 | Y51-R91 VanDerWaalsContact OH-CD 3.31Å; Y51-R91 WeakPolarHBondContact OH-CD 3.22Å; Q55-R91 HydrophobicContact CG-CB 4.03Å; M87-R91 VanDerWaalsContact O-CG 3.31Å; M87-R91 WeakPolarHBondContact O-CG 3.13Å; M87-R91 PolarHBondContact O-N 3.49Å; M87-R91 PolarHBondContact O-NH1 3.32Å; Y89-R91 PolarHBondContact O-N 3.22Å; R91-A203 HydrophobicContact CG-CB 3.9Å; R91-A203 WeakPolarHBondContact CG-O 3.47Å; R91-E206 HydrophobicContact CG-CB 4.02Å; R91-E206 IonicContact CZ-OE2 2.82Å; R91-E206 IonicContact NE-OE2 3.7Å; R91-E206 PolarHBondContact NE-OE2 3.25Å; R91-E206 IonicContact NH2-OE2 2.68Å; R91-E206 PolarHBondContact NH2-OE2 3.03Å; R91-G207 VanDerWaalsContact O-CA 3.25Å; R91-G207 WeakPolarHBondContact O-CA 3.49Å |
| 92 | S | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -6.6 | 176.3 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | Y89 E90 P94 V95 F99 | Y89-S92 CarbonylContact O-C 3.46Å; Y89-S92 WeakPolarHBondContact O-CA 3.37Å; Y89-S92 WeakPolarHBondContact O-CB 3.35Å; Y89-S92 PolarHBondContact O-N 2.94Å; Y89-S92 PolarHBondContact O-OG 3.22Å; E90-S92 VanDerWaalsContact C-N 3.27Å; E90-S92 PolarHBondContact O-N 3.29Å; S92-P94 VanDerWaalsContact C-N 3.32Å; S92-V95 VanDerWaalsContact O-CG2 3.22Å; S92-V95 WeakPolarHBondContact O-CG2 3.09Å; S92-V95 PolarHBondContact O-N 3.15Å; S92-F99 WeakPolarHBondContact OG-CZ 3.43Å |
| 93 | E | 98.2 | Very high | 98.3 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -57.3 | -29.2 | -178.7 | -160.5 | -178.7 | -177.1 | 0 | 0 | 115.4 | Y89 E90 V95 A96 L177 K185 N204 | Y89-E93 PolarHBondContact O-N 3.19Å; E90-E93 WeakPolarHBondContact O-CB 3.43Å; E90-E93 PolarHBondContact O-N 2.75Å; E93-V95 PolarHBondContact O-N 3.13Å; E93-A96 HydrophobicContact CG-CB 4.19Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 2.85Å; E93-L177 HydrophobicContact CB-CD2 3.98Å; E93-L177 VanDerWaalsContact CD-CD1 3.46Å; E93-L177 HydrophobicContact CG-CD1 4.1Å; E93-L177 HydrophobicContact CG-CD2 4.36Å; E93-L177 WeakPolarHBondContact OE2-CD1 3.35Å; E93-K185 VanDerWaalsContact CD-NZ 3.32Å; E93-K185 IonicContact OE1-NZ 3.27Å; E93-K185 PolarHBondContact OE1-NZ 2.85Å; E93-K185 IonicContact OE2-NZ 3.63Å; E93-K185 PolarHBondContact OE2-NZ 3.04Å; E93-K185 VanDerWaalsContact OE2-NZ 3.08Å; E93-N204 PolarHBondContact OE2-ND2 2.91Å |
| 94 | P | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -55.7 | -14.9 | 172.4 | -27.4 | 35.2 | 0 | 0 | 0 | 115 | S92 G173 L177 I211 | S92-P94 VanDerWaalsContact C-N 3.32Å; P94-G173 WeakPolarHBondContact O-CA 3.47Å; P94-L177 HydrophobicContact CG-CD2 3.82Å; P94-I211 HydrophobicContact CB-CD1 3.52Å; P94-I211 HydrophobicContact CG-CD1 4.13Å |
| 95 | V | 98.1 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -124.4 | 17.7 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 113 | Y48 T52 S92 E93 E97 A98 F99 I165 L169 M170 | Y48-V95 HydrophobicContact CD1-CG1 4.36Å; Y48-V95 HydrophobicContact CE1-CB 4.44Å; Y48-V95 HydrophobicContact CE1-CG1 3.57Å; Y48-V95 HydrophobicContact CE1-CG2 3.96Å; T52-V95 HydrophobicContact CG2-CG2 4.26Å; S92-V95 VanDerWaalsContact O-CG2 3.22Å; S92-V95 WeakPolarHBondContact O-CG2 3.09Å; S92-V95 PolarHBondContact O-N 3.15Å; E93-V95 PolarHBondContact O-N 3.13Å; V95-E97 PolarHBondContact O-N 3.02Å; V95-E97 VanDerWaalsContact O-N 3.16Å; V95-A98 VanDerWaalsContact O-CB 3.29Å; V95-A98 WeakPolarHBondContact O-CB 3.42Å; V95-A98 PolarHBondContact O-N 2.91Å; V95-F99 HydrophobicContact CG2-CE1 4.29Å; V95-F99 HydrophobicContact CG2-CZ 4.4Å; V95-I165 HydrophobicContact CB-CD1 4.47Å; V95-I165 HydrophobicContact CB-CG1 4.35Å; V95-I165 HydrophobicContact CG1-CG1 4.39Å; V95-I165 HydrophobicContact CG1-CG2 4.22Å; V95-I165 HydrophobicContact CG2-CD1 4.05Å; V95-I165 HydrophobicContact CG2-CG1 4.45Å; V95-L169 HydrophobicContact CB-CD2 4.09Å; V95-L169 HydrophobicContact CB-CG 4.47Å; V95-L169 HydrophobicContact CG1-CD2 4.12Å; V95-L169 HydrophobicContact CG1-CG 4.15Å; V95-M170 HydrophobicContact CG1-CG 4.28Å |
| 96 | A | 97.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61 | -25 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E93 A98 F99 | E93-A96 HydrophobicContact CG-CB 4.19Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 2.85Å; A96-A98 PolarHBondContact O-N 2.72Å; A96-A98 VanDerWaalsContact O-N 3.14Å; A96-F99 HydrophobicContact CB-CD2 3.81Å; A96-F99 HydrophobicContact CB-CE2 3.86Å; A96-F99 WeakPolarHBondContact O-CA 3.33Å; A96-F99 WeakPolarHBondContact O-CB 3.37Å; A96-F99 WeakPolarHBondContact O-CG 3.37Å; A96-F99 PolarHBondContact O-N 3.42Å |
| 97 | E | 97 | Very high | 98.2 | Very high | 162 Ų | 162 | 35 Ų | 35 | 76% | 0.757 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -53.4 | -35.3 | 170.6 | -171.8 | -176.3 | 172.6 | 0 | 0 | 111.7 | V95 F99 G100 L169 | V95-E97 PolarHBondContact O-N 3.02Å; V95-E97 VanDerWaalsContact O-N 3.16Å; E97-F99 PolarHBondContact O-N 3.29Å; E97-G100 PolarHBondContact O-N 2.8Å; E97-L169 HydrophobicContact CB-CD1 4.26Å |
| 98 | A | 97.8 | Very high | 98.2 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -70 | -15.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V95 A96 G100 L163 L169 | V95-A98 VanDerWaalsContact O-CB 3.29Å; V95-A98 WeakPolarHBondContact O-CB 3.42Å; V95-A98 PolarHBondContact O-N 2.91Å; A96-A98 PolarHBondContact O-N 2.72Å; A96-A98 VanDerWaalsContact O-N 3.14Å; A98-G100 VanDerWaalsContact C-N 3.28Å; A98-L163 HydrophobicContact CB-CB 4.29Å; A98-L163 HydrophobicContact CB-CD2 4.19Å; A98-L163 VanDerWaalsContact O-CD2 3.3Å; A98-L163 WeakPolarHBondContact O-CD2 3.15Å; A98-L169 HydrophobicContact CB-CD2 4.07Å |
| 99 | F | 98.1 | Very high | 98.2 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 4% | 0.044 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -77.1 | -18.4 | 177.5 | -52.8 | -16 | 0 | 0 | 0 | 111.9 | L56 Y89 S92 V95 A96 E97 L102 D103 L156 L163 | L56-F99 HydrophobicContact CD1-CE1 4.46Å; L56-F99 HydrophobicContact CD2-CZ 4.4Å; Y89-F99 AromaticContact CE2-CD2 3.96Å; Y89-F99 HydrophobicContact CE2-CD2 3.96Å; Y89-F99 AromaticContact CE2-CE2 3.84Å; Y89-F99 HydrophobicContact CE2-CE2 3.84Å; S92-F99 WeakPolarHBondContact OG-CZ 3.43Å; V95-F99 HydrophobicContact CG2-CE1 4.29Å; V95-F99 HydrophobicContact CG2-CZ 4.4Å; A96-F99 HydrophobicContact CB-CD2 3.81Å; A96-F99 HydrophobicContact CB-CE2 3.86Å; A96-F99 WeakPolarHBondContact O-CA 3.33Å; A96-F99 WeakPolarHBondContact O-CB 3.37Å; A96-F99 WeakPolarHBondContact O-CG 3.37Å; A96-F99 PolarHBondContact O-N 3.42Å; E97-F99 PolarHBondContact O-N 3.29Å; F99-L102 PolarHBondContact O-N 2.9Å; F99-D103 HydrophobicContact CB-CB 4.27Å; F99-L156 HydrophobicContact CB-CD1 3.88Å; F99-L156 HydrophobicContact CD1-CD1 3.59Å; F99-L156 HydrophobicContact CD2-CD1 4.1Å; F99-L156 HydrophobicContact CD2-CD2 4.07Å; F99-L156 HydrophobicContact CE1-CD1 4.14Å; F99-L156 HydrophobicContact CE2-CD2 4.25Å; F99-L156 HydrophobicContact CG-CD1 3.58Å; F99-L156 HydrophobicContact CG-CD2 4.39Å; F99-L163 HydrophobicContact CD1-CD1 3.94Å; F99-L163 HydrophobicContact CD1-CD2 3.9Å; F99-L163 HydrophobicContact CE1-CD1 3.65Å; F99-L163 HydrophobicContact CE1-CD2 4.46Å |
| 100 | G | 96.9 | Very high | 98.1 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -136.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | E97 A98 L102 D103 P104 | E97-G100 PolarHBondContact O-N 2.8Å; A98-G100 VanDerWaalsContact C-N 3.28Å; G100-L102 PolarHBondContact O-N 3.38Å; G100-D103 PolarHBondContact O-N 3.24Å; G100-P104 WeakPolarHBondContact O-CD 3.35Å |
| 101 | D | 97 | Very high | 98.1 | Very high | 128 Ų | 128 | 37 Ų | 37 | 68% | 0.684 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -10.7 | -176.9 | -63.7 | -14.1 | 0 | 0 | 0 | 115.4 | K105 | D101-K105 WeakPolarHBondContact O-CD 3.47Å; D101-K105 VanDerWaalsContact O-CG 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.23Å |
| 102 | L | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.2 | -29.1 | 176.7 | -70.3 | 169.9 | 0 | 0 | 0 | 112.5 | F99 G100 K105 I106 D152 E155 L156 K159 | F99-L102 PolarHBondContact O-N 2.9Å; G100-L102 PolarHBondContact O-N 3.38Å; L102-K105 PolarHBondContact O-N 3Å; L102-I106 HydrophobicContact CB-CD1 4.35Å; L102-I106 WeakPolarHBondContact O-CB 3.35Å; L102-I106 WeakPolarHBondContact O-CD1 3.39Å; L102-I106 VanDerWaalsContact O-CG1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 2.87Å; L102-D152 HydrophobicContact CD2-CB 4.24Å; L102-E155 HydrophobicContact CD1-CB 4.24Å; L102-E155 HydrophobicContact CD1-CG 4.03Å; L102-E155 HydrophobicContact CD2-CB 4.08Å; L102-E155 HydrophobicContact CD2-CG 4.22Å; L102-L156 HydrophobicContact CD1-CB 4.02Å; L102-L156 HydrophobicContact CD1-CD1 4.41Å; L102-K159 HydrophobicContact CD1-CD 4.06Å |
| 103 | D | 98.4 | Very high | 98 | Very high | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.5 | -61.7 | 177.4 | 171.3 | 35.5 | 0 | 0 | 0 | 111.6 | Y89 F99 G100 K105 I106 D107 | Y89-D103 WeakPolarHBondContact OH-CA 3.28Å; Y89-D103 PolarHBondContact OH-OD1 3.12Å; F99-D103 HydrophobicContact CB-CB 4.27Å; G100-D103 PolarHBondContact O-N 3.24Å; D103-K105 PolarHBondContact O-N 3.35Å; D103-I106 PolarHBondContact O-N 3.15Å; D103-D107 PolarHBondContact O-N 3.42Å |
| 104 | P | 98.1 | Very high | 98 | Very high | 45 Ų | 45 | 41.9 Ų | 41.9 | 29% | 0.292 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -21 | 179.9 | 24.9 | -35.5 | 0 | 0 | 0 | 114.2 | G100 A108 | G100-P104 WeakPolarHBondContact O-CD 3.35Å; P104-A108 HydrophobicContact CB-CB 3.97Å; P104-A108 WeakPolarHBondContact O-CB 3.41Å; P104-A108 PolarHBondContact O-N 3.04Å |
| 105 | K | 98.6 | Very high | 98 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -74.1 | -29.3 | 174.5 | -74.5 | 175.1 | -175.1 | 164.5 | 0 | 112.9 | D101 L102 D103 S123 G124 | D101-K105 WeakPolarHBondContact O-CD 3.47Å; D101-K105 VanDerWaalsContact O-CG 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.23Å; L102-K105 PolarHBondContact O-N 3Å; D103-K105 PolarHBondContact O-N 3.35Å; K105-S123 CarbonylContact O-C 3.56Å; K105-S123 PolarHBondContact O-OG 3.33Å; K105-G124 WeakPolarHBondContact O-CA 3.07Å; K105-G124 PolarHBondContact O-N 3.37Å |
| 106 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -91.6 | -43.3 | -178.1 | -69.5 | 168.5 | 0 | 0 | 0 | 110 | F59 Y89 L102 D103 G124 Y125 L149 D152 L156 | F59-I106 HydrophobicContact CE1-CD1 4.48Å; F59-I106 HydrophobicContact CE1-CG2 4.35Å; F59-I106 HydrophobicContact CZ-CG2 3.73Å; Y89-I106 HydrophobicContact CD2-CG2 4.01Å; Y89-I106 HydrophobicContact CE2-CB 4.35Å; Y89-I106 HydrophobicContact CE2-CD1 4.24Å; Y89-I106 HydrophobicContact CE2-CG2 3.77Å; L102-I106 HydrophobicContact CB-CD1 4.35Å; L102-I106 WeakPolarHBondContact O-CB 3.35Å; L102-I106 WeakPolarHBondContact O-CD1 3.39Å; L102-I106 VanDerWaalsContact O-CG1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 2.87Å; D103-I106 PolarHBondContact O-N 3.15Å; I106-G124 CarbonylContact O-C 3.52Å; I106-G124 VanDerWaalsContact O-CA 3.25Å; I106-G124 WeakPolarHBondContact O-CA 3.48Å; I106-Y125 HydrophobicContact CG2-CD2 4.11Å; I106-Y125 HydrophobicContact CG2-CE2 4.5Å; I106-Y125 PolarHBondContact O-N 2.69Å; I106-L149 HydrophobicContact CG1-CD1 4.46Å; I106-L149 HydrophobicContact CG2-CD1 4.26Å; I106-D152 HydrophobicContact CD1-CB 4.34Å; I106-D152 HydrophobicContact CG1-CB 3.87Å; I106-L156 HydrophobicContact CD1-CB 4.15Å; I106-L156 HydrophobicContact CD1-CD2 3.69Å |
| 107 | D | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -133 | 2.8 | -159.8 | -140.7 | 48.5 | 0 | 0 | 0 | 116 | R86 Y89 D103 R109 H126 | R86-D107 IonicContact CZ-OD1 2.85Å; R86-D107 IonicContact CZ-OD2 3.29Å; R86-D107 IonicContact NE-OD1 2.8Å; R86-D107 IonicContact NH1-OD1 3.49Å; R86-D107 PolarHBondContact NH1-OD1 3.01Å; R86-D107 IonicContact NH2-OD1 2.75Å; R86-D107 PolarHBondContact NH2-OD1 3.39Å; R86-D107 VanDerWaalsContact NH2-OD1 3.08Å; R86-D107 IonicContact NH2-OD2 3.73Å; R86-D107 PolarHBondContact NH2-OD2 3.24Å; Y89-D107 HydrophobicContact CD1-CB 4.35Å; Y89-D107 HydrophobicContact CE1-CB 3.65Å; D103-D107 PolarHBondContact O-N 3.42Å; D107-R109 PolarHBondContact O-N 3.27Å; D107-H126 PolarHBondContact O-CD2 3.05Å |
| 108 | A | 98.1 | Very high | 97.8 | Very high | 12 Ų | 12 | 58.8 Ų | 58.8 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | trans | -64.1 | 136 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P104 M113 W122 | P104-A108 HydrophobicContact CB-CB 3.97Å; P104-A108 WeakPolarHBondContact O-CB 3.41Å; P104-A108 PolarHBondContact O-N 3.04Å; A108-M113 HydrophobicContact CB-CG 3.87Å; A108-M113 HydrophobicContact CB-SD 3.62Å; A108-W122 PolarHBondContact O-NE1 3.05Å | ||
| 109 | R | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | trans | -77.9 | 154.5 | 169.1 | -50 | 173.7 | -57.7 | 154.5 | -7.9 | 110.1 | D107 A111 D112 M113 E189 | D107-R109 PolarHBondContact O-N 3.27Å; R109-A111 PolarHBondContact O-N 2.85Å; R109-D112 WeakPolarHBondContact CB-OD2 3.39Å; R109-D112 IonicContact CZ-OD1 3.58Å; R109-D112 IonicContact CZ-OD2 3.84Å; R109-D112 IonicContact NE-OD1 3.76Å; R109-D112 IonicContact NE-OD2 3.73Å; R109-D112 PolarHBondContact NE-OD2 2.88Å; R109-D112 IonicContact NH2-OD1 2.79Å; R109-D112 PolarHBondContact NH2-OD1 3Å; R109-D112 IonicContact NH2-OD2 2.82Å; R109-D112 PolarHBondContact NH2-OD2 3.17Å; R109-D112 PolarHBondContact O-N 3.18Å; R109-M113 WeakPolarHBondContact O-CG 3.48Å; R109-M113 PolarHBondContact O-N 3.43Å; R109-M113 VanDerWaalsContact O-N 3.15Å; R109-E189 WeakPolarHBondContact CD-O 3.41Å; R109-E189 IonicContact CZ-OE1 2.65Å; R109-E189 VanDerWaalsContact NH1-CD 3.28Å; R109-E189 VanDerWaalsContact NH1-CG 3.28Å; R109-E189 PolarHBondContact NH1-O 2.93Å; R109-E189 IonicContact NH1-OE1 3.08Å; R109-E189 PolarHBondContact NH1-OE1 2.87Å; R109-E189 IonicContact NH2-OE1 2.77Å; R109-E189 PolarHBondContact NH2-OE1 2.83Å | ||
| 110 | L | 98.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 70.9 Ų | 70.9 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.2 | -29.9 | 176.1 | 179.8 | 57.5 | 0 | 0 | 0 | 112.5 | K114 W122 | L110-K114 HydrophobicContact CD1-CG 4.39Å; L110-K114 HydrophobicContact CG-CD 4.25Å; L110-K114 VanDerWaalsContact O-CG 3.29Å; L110-K114 WeakPolarHBondContact O-CG 3.06Å; L110-K114 PolarHBondContact O-N 2.93Å; L110-K114 VanDerWaalsContact O-N 3.08Å; L110-W122 HydrophobicContact CB-CD2 4.19Å; L110-W122 HydrophobicContact CB-CE3 4.31Å; L110-W122 HydrophobicContact CB-CH2 3.8Å; L110-W122 HydrophobicContact CB-CZ2 3.66Å; L110-W122 HydrophobicContact CB-CZ3 4.13Å; L110-W122 HydrophobicContact CD1-CD2 3.95Å; L110-W122 HydrophobicContact CD1-CE3 3.73Å; L110-W122 HydrophobicContact CD1-CG 4.45Å; L110-W122 HydrophobicContact CD1-CZ3 4.09Å; L110-W122 HydrophobicContact CD2-CE3 4.46Å; L110-W122 HydrophobicContact CD2-CH2 4.19Å; L110-W122 HydrophobicContact CD2-CZ3 3.98Å; L110-W122 HydrophobicContact CG-CE3 4.38Å; L110-W122 HydrophobicContact CG-CH2 4.42Å; L110-W122 HydrophobicContact CG-CZ3 4.28Å |
| 111 | A | 98 | Very high | 97.7 | Very high | 56 Ų | 56 | 75.5 Ų | 75.5 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R109 M113 K114 E115 | R109-A111 PolarHBondContact O-N 2.85Å; A111-M113 PolarHBondContact O-N 3.07Å; A111-K114 WeakPolarHBondContact O-CB 3.3Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-K114 VanDerWaalsContact O-N 3.14Å; A111-E115 PolarHBondContact O-N 3.23Å |
| 112 | D | 97.2 | Very high | 97.8 | Very high | 50 Ų | 50 | 70.5 Ų | 70.5 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 179.4 | -49.8 | -42.8 | 0 | 0 | 0 | 110.7 | R109 K114 E115 E116 | R109-D112 WeakPolarHBondContact CB-OD2 3.39Å; R109-D112 IonicContact CZ-OD1 3.58Å; R109-D112 IonicContact CZ-OD2 3.84Å; R109-D112 IonicContact NE-OD1 3.76Å; R109-D112 IonicContact NE-OD2 3.73Å; R109-D112 PolarHBondContact NE-OD2 2.88Å; R109-D112 IonicContact NH2-OD1 2.79Å; R109-D112 PolarHBondContact NH2-OD1 3Å; R109-D112 IonicContact NH2-OD2 2.82Å; R109-D112 PolarHBondContact NH2-OD2 3.17Å; R109-D112 PolarHBondContact O-N 3.18Å; D112-K114 PolarHBondContact O-N 2.72Å; D112-E115 PolarHBondContact O-N 3.41Å; D112-E115 VanDerWaalsContact O-N 3.16Å; D112-E116 PolarHBondContact O-N 2.68Å |
| 113 | M | 98 | Very high | 97.8 | Very high | 9 Ų | 9 | 71 Ų | 71 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -30.8 | 175.7 | -62.8 | -56.4 | -74.8 | 0 | 0 | 113.2 | A108 R109 A111 K117 K118 E119 E121 W122 | A108-M113 HydrophobicContact CB-CG 3.87Å; A108-M113 HydrophobicContact CB-SD 3.62Å; R109-M113 WeakPolarHBondContact O-CG 3.48Å; R109-M113 PolarHBondContact O-N 3.43Å; R109-M113 VanDerWaalsContact O-N 3.15Å; A111-M113 PolarHBondContact O-N 3.07Å; M113-K117 PolarHBondContact O-N 3.27Å; M113-K118 HydrophobicContact CE-CB 3.62Å; M113-K118 WeakPolarHBondContact CE-O 3.41Å; M113-K118 CarbonylContact O-C 3.59Å; M113-K118 PolarHBondContact O-N 3.1Å; M113-E119 PolarHBondContact O-N 3.11Å; M113-E121 HydrophobicContact CE-CB 4.03Å; M113-W122 HydrophobicContact CB-CB 4.49Å; M113-W122 HydrophobicContact CG-CB 4.18Å; M113-W122 HydrophobicContact CG-CG 4.09Å |
| 114 | K | 98.1 | Very high | 97.8 | Very high | 112 Ų | 112 | 68.5 Ų | 68.5 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -72.7 | -44.2 | 173.9 | -78.6 | 169.2 | 175.6 | 176.2 | 0 | 111.9 | L110 A111 D112 E116 K117 E119 | L110-K114 HydrophobicContact CD1-CG 4.39Å; L110-K114 HydrophobicContact CG-CD 4.25Å; L110-K114 VanDerWaalsContact O-CG 3.29Å; L110-K114 WeakPolarHBondContact O-CG 3.06Å; L110-K114 PolarHBondContact O-N 2.93Å; L110-K114 VanDerWaalsContact O-N 3.08Å; A111-K114 WeakPolarHBondContact O-CB 3.3Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-K114 VanDerWaalsContact O-N 3.14Å; D112-K114 PolarHBondContact O-N 2.72Å; K114-E116 PolarHBondContact O-N 3.08Å; K114-K117 PolarHBondContact O-N 3.47Å; K114-E119 WeakPolarHBondContact CA-OE1 3.31Å; K114-E119 HydrophobicContact CB-CG 4.09Å; K114-E119 HydrophobicContact CG-CG 3.31Å; K114-E119 WeakPolarHBondContact CG-OE1 3Å |
| 115 | E | 97.4 | Very high | 97.9 | Very high | 166 Ų | 166 | 66.4 Ų | 66.4 | 78% | 0.776 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.1 | -40.7 | 176.8 | -174.5 | 166.3 | 174.4 | 0 | 0 | 111.2 | A111 D112 K117 | A111-E115 PolarHBondContact O-N 3.23Å; D112-E115 PolarHBondContact O-N 3.41Å; D112-E115 VanDerWaalsContact O-N 3.16Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.02Å |
| 116 | E | 96.3 | Very high | 97.9 | Very high | 100 Ų | 100 | 62.6 Ų | 62.6 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.4 | 175.1 | -67.3 | -168 | -164 | 0 | 0 | 114.8 | D112 K114 K118 | D112-E116 PolarHBondContact O-N 2.68Å; K114-E116 PolarHBondContact O-N 3.08Å; E116-K118 HydrophobicContact CB-CB 4.42Å; E116-K118 HydrophobicContact CB-CD 4.19Å; E116-K118 HydrophobicContact CB-CG 4.13Å; E116-K118 PolarHBondContact O-N 2.76Å; E116-K118 WeakPolarHBondContact OE2-CD 3.39Å; E116-K118 WeakPolarHBondContact OE2-CE 3.47Å; E116-K118 IonicContact OE2-NZ 2.72Å; E116-K118 PolarHBondContact OE2-NZ 2.93Å |
| 117 | K | 97.7 | Very high | 97.9 | Very high | 179 Ų | 179 | 65.2 Ų | 65.2 | 78% | 0.778 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 34.5 | -174.4 | -53.3 | 174.4 | -177.4 | 170.6 | 0 | 113.4 | M113 K114 E115 | M113-K117 PolarHBondContact O-N 3.27Å; K114-K117 PolarHBondContact O-N 3.47Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.02Å |
| 118 | K | 96.7 | Very high | 97.9 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | trans | -113.1 | 21.6 | 179.7 | -66.7 | -178.2 | -172.2 | 158.7 | 0 | 112.7 | M113 E116 K120 E121 | M113-K118 HydrophobicContact CE-CB 3.62Å; M113-K118 WeakPolarHBondContact CE-O 3.41Å; M113-K118 CarbonylContact O-C 3.59Å; M113-K118 PolarHBondContact O-N 3.1Å; E116-K118 HydrophobicContact CB-CB 4.42Å; E116-K118 HydrophobicContact CB-CD 4.19Å; E116-K118 HydrophobicContact CB-CG 4.13Å; E116-K118 PolarHBondContact O-N 2.76Å; E116-K118 WeakPolarHBondContact OE2-CD 3.39Å; E116-K118 WeakPolarHBondContact OE2-CE 3.47Å; E116-K118 IonicContact OE2-NZ 2.72Å; E116-K118 PolarHBondContact OE2-NZ 2.93Å; K118-K120 PolarHBondContact O-N 2.88Å; K118-E121 HydrophobicContact CB-CB 4.48Å; K118-E121 WeakPolarHBondContact O-CA 3.29Å; K118-E121 WeakPolarHBondContact O-CB 3.35Å; K118-E121 PolarHBondContact O-N 3.36Å | ||
| 119 | E | 97.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -55.5 | -29.1 | -173.5 | -51.6 | 101.5 | 165.1 | 0 | 0 | 114 | M113 K114 E121 W122 | M113-E119 PolarHBondContact O-N 3.11Å; K114-E119 WeakPolarHBondContact CA-OE1 3.31Å; K114-E119 HydrophobicContact CB-CG 4.09Å; K114-E119 HydrophobicContact CG-CG 3.31Å; K114-E119 WeakPolarHBondContact CG-OE1 3Å; E119-E121 PolarHBondContact O-N 3.36Å; E119-W122 WeakPolarHBondContact O-CB 3.44Å; E119-W122 PolarHBondContact O-N 3.39Å |
| 120 | K | 97.1 | Very high | 98 | Very high | 209 Ų | 209 | 65.1 Ų | 65.1 | 91% | 0.909 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -68.5 | -21.1 | 177.9 | -64.7 | 179.9 | -177.4 | 172.7 | 0 | 113.6 | K118 | K118-K120 PolarHBondContact O-N 2.88Š|
| 121 | E | 96.6 | Very high | 98 | Very high | 136 Ų | 136 | 63.9 Ų | 63.9 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -93.4 | -4.7 | 179.3 | -60.7 | 174.9 | -147.8 | 0 | 0 | 111.9 | M113 K118 E119 S123 | M113-E121 HydrophobicContact CE-CB 4.03Å; K118-E121 HydrophobicContact CB-CB 4.48Å; K118-E121 WeakPolarHBondContact O-CA 3.29Å; K118-E121 WeakPolarHBondContact O-CB 3.35Å; K118-E121 PolarHBondContact O-N 3.36Å; E119-E121 PolarHBondContact O-N 3.36Å; E121-S123 PolarHBondContact O-N 2.93Å |
| 122 | W | 98.5 | Very high | 98 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 9% | 0.087 | 28% | 0.279 | C | S | . | . | trans | -58.4 | 127.2 | -176.2 | -171.1 | 42.4 | 0 | 0 | 0 | 112 | A108 L110 M113 E119 H126 K127 K130 | A108-W122 PolarHBondContact O-NE1 3.05Å; L110-W122 HydrophobicContact CB-CD2 4.19Å; L110-W122 HydrophobicContact CB-CE3 4.31Å; L110-W122 HydrophobicContact CB-CH2 3.8Å; L110-W122 HydrophobicContact CB-CZ2 3.66Å; L110-W122 HydrophobicContact CB-CZ3 4.13Å; L110-W122 HydrophobicContact CD1-CD2 3.95Å; L110-W122 HydrophobicContact CD1-CE3 3.73Å; L110-W122 HydrophobicContact CD1-CG 4.45Å; L110-W122 HydrophobicContact CD1-CZ3 4.09Å; L110-W122 HydrophobicContact CD2-CE3 4.46Å; L110-W122 HydrophobicContact CD2-CH2 4.19Å; L110-W122 HydrophobicContact CD2-CZ3 3.98Å; L110-W122 HydrophobicContact CG-CE3 4.38Å; L110-W122 HydrophobicContact CG-CH2 4.42Å; L110-W122 HydrophobicContact CG-CZ3 4.28Å; M113-W122 HydrophobicContact CB-CB 4.49Å; M113-W122 HydrophobicContact CG-CB 4.18Å; M113-W122 HydrophobicContact CG-CG 4.09Å; E119-W122 WeakPolarHBondContact O-CB 3.44Å; E119-W122 PolarHBondContact O-N 3.39Å; W122-H126 VanDerWaalsContact CZ2-C 3.49Å; W122-H126 HydrophobicContact CZ2-CB 3.98Å; W122-K127 HydrophobicContact CD2-CB 3.91Å; W122-K127 HydrophobicContact CD2-CD 4.25Å; W122-K127 HydrophobicContact CD2-CG 4.12Å; W122-K127 HydrophobicContact CE3-CB 4.05Å; W122-K127 HydrophobicContact CE3-CD 4.07Å; W122-K127 HydrophobicContact CE3-CG 3.8Å; W122-K127 HydrophobicContact CH2-CB 4.05Å; W122-K127 HydrophobicContact CH2-CG 4.26Å; W122-K127 VanDerWaalsContact CZ2-CA 3.44Å; W122-K127 HydrophobicContact CZ2-CB 3.88Å; W122-K127 HydrophobicContact CZ3-CB 4.12Å; W122-K127 HydrophobicContact CZ3-CG 3.88Å; W122-K127 WeakPolarHBondContact O-CD 3.45Å; W122-K127 WeakPolarHBondContact O-CE 3.32Å; W122-K127 PolarHBondContact O-NZ 3.25Å; W122-K130 HydrophobicContact CH2-CB 4.2Å; W122-K130 HydrophobicContact CH2-CD 4.06Å; W122-K130 HydrophobicContact CZ3-CD 4.12Å | ||
| 123 | S | 98.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -144.3 | -169.8 | 179.5 | 63.6 | 0 | 0 | 0 | 0 | 109.6 | K105 E121 | K105-S123 CarbonylContact O-C 3.56Å; K105-S123 PolarHBondContact O-OG 3.33Å; E121-S123 PolarHBondContact O-N 2.93Å | ||
| 124 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 88.4 | -167.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K105 I106 K127 I128 | K105-G124 WeakPolarHBondContact O-CA 3.07Å; K105-G124 PolarHBondContact O-N 3.37Å; I106-G124 CarbonylContact O-C 3.52Å; I106-G124 VanDerWaalsContact O-CA 3.25Å; I106-G124 WeakPolarHBondContact O-CA 3.48Å; G124-K127 PolarHBondContact O-N 3.08Å; G124-I128 WeakPolarHBondContact O-CG1 3.32Å; G124-I128 PolarHBondContact O-N 3.14Å |
| 125 | Y | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | -172.7 | -91 | -80 | 0 | 0 | 0 | 112.4 | F59 T63 F66 Y82 V85 R86 I106 K127 I128 E129 L149 | F59-Y125 HydrophobicContact CE2-CD2 4.25Å; F59-Y125 AromaticContact CE2-CE2 3.33Å; F59-Y125 HydrophobicContact CE2-CE2 3.33Å; F59-Y125 AromaticContact CE2-CZ 3.85Å; F59-Y125 HydrophobicContact CZ-CD2 4.29Å; F59-Y125 AromaticContact CZ-CE2 3.49Å; F59-Y125 HydrophobicContact CZ-CE2 3.49Å; F59-Y125 VanDerWaalsContact CZ-CE2 3.49Å; T63-Y125 PolarHBondContact OG1-OH 3.07Å; F66-Y125 AromaticContact CD1-CE1 3.72Å; F66-Y125 HydrophobicContact CD1-CE1 3.72Å; F66-Y125 HydrophobicContact CE1-CD1 4.02Å; F66-Y125 AromaticContact CE1-CE1 3.66Å; F66-Y125 HydrophobicContact CE1-CE1 3.66Å; F66-Y125 HydrophobicContact CG-CE1 4.46Å; F66-Y125 HydrophobicContact CZ-CE1 4.36Å; Y82-Y125 AromaticContact CD2-CD1 3.86Å; Y82-Y125 HydrophobicContact CD2-CD1 3.86Å; Y82-Y125 HydrophobicContact CD2-CE1 4.46Å; Y82-Y125 AromaticContact CE2-CD1 3.74Å; Y82-Y125 HydrophobicContact CE2-CD1 3.74Å; Y82-Y125 HydrophobicContact CE2-CG 4.45Å; V85-Y125 WeakPolarHBondContact CG1-OH 3.44Å; R86-Y125 HydrophobicContact CG-CD1 3.74Å; R86-Y125 HydrophobicContact CG-CD2 4.44Å; R86-Y125 HydrophobicContact CG-CE1 4.09Å; R86-Y125 HydrophobicContact CG-CG 3.94Å; R86-Y125 VanDerWaalsContact NH1-CB 3.34Å; I106-Y125 HydrophobicContact CG2-CD2 4.11Å; I106-Y125 HydrophobicContact CG2-CE2 4.5Å; I106-Y125 PolarHBondContact O-N 2.69Å; Y125-K127 VanDerWaalsContact C-N 3.27Å; Y125-K127 PolarHBondContact O-N 2.87Å; Y125-I128 CarbonylContact O-C 3.5Å; Y125-I128 WeakPolarHBondContact O-CA 3.37Å; Y125-I128 PolarHBondContact O-N 3.11Å; Y125-E129 PolarHBondContact O-N 3.01Å; Y125-L149 HydrophobicContact CD1-CD2 4.13Å; Y125-L149 HydrophobicContact CD2-CD1 3.59Å; Y125-L149 HydrophobicContact CD2-CD2 3.81Å; Y125-L149 HydrophobicContact CD2-CG 4.32Å; Y125-L149 HydrophobicContact CE1-CD2 3.98Å; Y125-L149 HydrophobicContact CE2-CD1 3.57Å; Y125-L149 HydrophobicContact CE2-CD2 3.6Å; Y125-L149 HydrophobicContact CE2-CG 4.05Å; Y125-L149 HydrophobicContact CG-CD1 4.47Å; Y125-L149 HydrophobicContact CG-CD2 4.06Å |
| 126 | H | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -27.8 | -177.7 | -71.1 | -61.7 | 0 | 0 | 0 | 114.4 | R86 D107 W122 I128 E129 K130 E190 E191 | R86-H126 PolarHBondContact NH1-CD2 3.39Å; R86-H126 PolarHBondContact NH1-CE1 3.35Å; R86-H126 PolarHBondContact NH1-NE2 3.46Å; R86-H126 PolarHBondContact NH2-CE1 3.14Å; R86-H126 PolarHBondContact NH2-NE2 3.1Å; D107-H126 PolarHBondContact O-CD2 3.05Å; W122-H126 VanDerWaalsContact CZ2-C 3.49Å; W122-H126 HydrophobicContact CZ2-CB 3.98Å; H126-I128 VanDerWaalsContact C-N 3.35Å; H126-E129 IonicContact CE1-OE2 3.91Å; H126-E129 IonicContact CG-OE2 3.07Å; H126-E129 IonicContact ND1-OE2 3.79Å; H126-E129 PolarHBondContact ND1-OE2 3.05Å; H126-E129 WeakPolarHBondContact O-CB 3.46Å; H126-K130 PolarHBondContact O-N 3.15Å; H126-E190 PolarHBondContact CE1-O 2.95Å; H126-E190 IonicContact CE1-OE1 3.34Å; H126-E190 PolarHBondContact ND1-O 3.26Å; H126-E190 IonicContact NE2-OE1 2.71Å; H126-E190 PolarHBondContact NE2-OE1 3.01Å; H126-E191 IonicContact CE1-OE1 3.13Å |
| 127 | K | 98.7 | Very high | 98.3 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 173.1 | -172.8 | 175.5 | -179.1 | -165.7 | 0 | 111.3 | W122 G124 Y125 A131 D145 | W122-K127 HydrophobicContact CD2-CB 3.91Å; W122-K127 HydrophobicContact CD2-CD 4.25Å; W122-K127 HydrophobicContact CD2-CG 4.12Å; W122-K127 HydrophobicContact CE3-CB 4.05Å; W122-K127 HydrophobicContact CE3-CD 4.07Å; W122-K127 HydrophobicContact CE3-CG 3.8Å; W122-K127 HydrophobicContact CH2-CB 4.05Å; W122-K127 HydrophobicContact CH2-CG 4.26Å; W122-K127 VanDerWaalsContact CZ2-CA 3.44Å; W122-K127 HydrophobicContact CZ2-CB 3.88Å; W122-K127 HydrophobicContact CZ3-CB 4.12Å; W122-K127 HydrophobicContact CZ3-CG 3.88Å; W122-K127 WeakPolarHBondContact O-CD 3.45Å; W122-K127 WeakPolarHBondContact O-CE 3.32Å; W122-K127 PolarHBondContact O-NZ 3.25Å; G124-K127 PolarHBondContact O-N 3.08Å; Y125-K127 VanDerWaalsContact C-N 3.27Å; Y125-K127 PolarHBondContact O-N 2.87Å; K127-A131 PolarHBondContact O-N 2.86Å; K127-D145 WeakPolarHBondContact CD-OD2 3.34Å; K127-D145 WeakPolarHBondContact CE-OD2 3.3Å; K127-D145 VanDerWaalsContact NZ-CG 3.33Å; K127-D145 IonicContact NZ-OD1 2.85Å; K127-D145 PolarHBondContact NZ-OD1 3.14Å; K127-D145 IonicContact NZ-OD2 2.78Å; K127-D145 PolarHBondContact NZ-OD2 3.39Å; K127-D145 VanDerWaalsContact NZ-OD2 3.13Å |
| 128 | I | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.8 | -37 | 176.8 | -60.3 | 168.8 | 0 | 0 | 0 | 110.2 | F66 I70 G124 Y125 H126 K130 A131 L132 T142 D145 A146 L149 | F66-I128 HydrophobicContact CE1-CD1 4.22Å; F66-I128 HydrophobicContact CE1-CG2 3.92Å; F66-I128 HydrophobicContact CZ-CB 4.44Å; F66-I128 HydrophobicContact CZ-CG2 3.56Å; I70-I128 HydrophobicContact CD1-CD1 4.46Å; I70-I128 HydrophobicContact CD1-CG2 3.57Å; G124-I128 WeakPolarHBondContact O-CG1 3.32Å; G124-I128 PolarHBondContact O-N 3.14Å; Y125-I128 CarbonylContact O-C 3.5Å; Y125-I128 WeakPolarHBondContact O-CA 3.37Å; Y125-I128 PolarHBondContact O-N 3.11Å; H126-I128 VanDerWaalsContact C-N 3.35Å; I128-K130 VanDerWaalsContact C-N 3.34Å; I128-K130 PolarHBondContact O-N 2.78Å; I128-A131 WeakPolarHBondContact O-CB 3.37Å; I128-A131 PolarHBondContact O-N 3.08Å; I128-L132 HydrophobicContact CG2-CD1 4.07Å; I128-L132 HydrophobicContact CG2-CG 4.17Å; I128-L132 VanDerWaalsContact O-CG 3.32Å; I128-L132 WeakPolarHBondContact O-CG 3.44Å; I128-L132 PolarHBondContact O-N 2.97Å; I128-T142 HydrophobicContact CG2-CG2 4.47Å; I128-D145 HydrophobicContact CD1-CB 4.48Å; I128-D145 HydrophobicContact CG1-CB 4.13Å; I128-A146 HydrophobicContact CD1-CB 4.14Å; I128-L149 HydrophobicContact CD1-CB 4.2Å; I128-L149 HydrophobicContact CD1-CD2 3.69Å |
| 129 | E | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -50.7 | -54.3 | 170.7 | -170.2 | -152.7 | 157.9 | 0 | 0 | 110.2 | Y82 Y125 H126 A131 L132 Y133 Y193 S194 | Y82-E129 HydrophobicContact CE1-CB 4.47Å; Y82-E129 HydrophobicContact CE1-CG 3.96Å; Y82-E129 HydrophobicContact CE2-CB 3.65Å; Y82-E129 HydrophobicContact CE2-CG 4.05Å; Y82-E129 WeakPolarHBondContact OH-CB 3.32Å; Y82-E129 WeakPolarHBondContact OH-CG 3.46Å; Y125-E129 PolarHBondContact O-N 3.01Å; H126-E129 IonicContact CE1-OE2 3.91Å; H126-E129 IonicContact CG-OE2 3.07Å; H126-E129 IonicContact ND1-OE2 3.79Å; H126-E129 PolarHBondContact ND1-OE2 3.05Å; H126-E129 WeakPolarHBondContact O-CB 3.46Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.28Å; E129-L132 PolarHBondContact O-N 3.17Å; E129-L132 VanDerWaalsContact O-N 3.11Å; E129-Y133 HydrophobicContact CG-CD2 3.9Å; E129-Y133 HydrophobicContact CG-CE2 4.35Å; E129-Y133 VanDerWaalsContact O-CD2 3.31Å; E129-Y133 WeakPolarHBondContact O-CD2 3.48Å; E129-Y133 PolarHBondContact O-N 3.39Å; E129-Y193 HydrophobicContact CB-CD2 4.41Å; E129-Y193 HydrophobicContact CG-CD2 4.17Å; E129-Y193 WeakPolarHBondContact OE1-CA 3.34Å; E129-Y193 WeakPolarHBondContact OE1-CB 3.31Å; E129-Y193 PolarHBondContact OE1-N 3.41Å; E129-Y193 WeakPolarHBondContact OE2-CD2 3.39Å; E129-S194 WeakPolarHBondContact OE1-CB 3.37Å; E129-S194 PolarHBondContact OE1-N 3.02Å; E129-S194 PolarHBondContact OE1-OG 3.4Å |
| 130 | K | 98.8 | Very high | 98.5 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.1 | -45.7 | 175.4 | -172.3 | -175 | 174.8 | -61.1 | 0 | 112 | W122 H126 I128 L132 E134 D135 Y193 | W122-K130 HydrophobicContact CH2-CB 4.2Å; W122-K130 HydrophobicContact CH2-CD 4.06Å; W122-K130 HydrophobicContact CZ3-CD 4.12Å; H126-K130 PolarHBondContact O-N 3.15Å; I128-K130 VanDerWaalsContact C-N 3.34Å; I128-K130 PolarHBondContact O-N 2.78Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.89Å; K130-E134 HydrophobicContact CG-CB 4.05Å; K130-E134 HydrophobicContact CG-CG 4.48Å; K130-E134 WeakPolarHBondContact O-CA 3.31Å; K130-E134 WeakPolarHBondContact O-CB 3.48Å; K130-E134 PolarHBondContact O-N 3.07Å; K130-D135 IonicContact NZ-OD1 2.61Å; K130-D135 PolarHBondContact NZ-OD1 3.25Å; K130-D135 IonicContact NZ-OD2 2.88Å; K130-D135 PolarHBondContact NZ-OD2 3Å; K130-D135 PolarHBondContact O-N 3.48Å; K130-Y193 HydrophobicContact CB-CD1 4.46Å; K130-Y193 HydrophobicContact CB-CD2 3.74Å; K130-Y193 HydrophobicContact CB-CE1 4.27Å; K130-Y193 HydrophobicContact CB-CE2 3.54Å; K130-Y193 HydrophobicContact CB-CG 4.21Å; K130-Y193 HydrophobicContact CD-CE1 4.25Å; K130-Y193 HydrophobicContact CD-CE2 4.43Å; K130-Y193 HydrophobicContact CG-CD1 4.19Å; K130-Y193 HydrophobicContact CG-CD2 4.32Å; K130-Y193 HydrophobicContact CG-CE1 3.8Å; K130-Y193 HydrophobicContact CG-CE2 3.97Å; K130-Y193 HydrophobicContact CG-CG 4.43Å |
| 131 | A | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | K127 I128 E129 D135 K136 K137 T142 | K127-A131 PolarHBondContact O-N 2.86Å; I128-A131 WeakPolarHBondContact O-CB 3.37Å; I128-A131 PolarHBondContact O-N 3.08Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.28Å; A131-D135 CarbonylContact O-C 3.57Å; A131-K136 PolarHBondContact O-N 2.92Å; A131-K137 PolarHBondContact O-N 3.46Å; A131-T142 HydrophobicContact CB-CG2 3.86Å |
| 132 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.9 | -43.7 | -177.8 | -62.5 | 178.8 | 0 | 0 | 0 | 112.7 | F66 M75 A78 K79 I128 E129 K130 K136 I138 | F66-L132 HydrophobicContact CE2-CD1 3.86Å; F66-L132 HydrophobicContact CZ-CD1 3.99Å; M75-L132 HydrophobicContact CE-CD2 4.15Å; M75-L132 HydrophobicContact SD-CB 4.15Å; M75-L132 HydrophobicContact SD-CD2 3.67Å; M75-L132 HydrophobicContact SD-CG 4.5Å; A78-L132 HydrophobicContact CB-CD1 3.92Å; A78-L132 HydrophobicContact CB-CD2 4.16Å; K79-L132 VanDerWaalsContact CE-C 3.49Å; K79-L132 WeakPolarHBondContact CE-O 3.38Å; K79-L132 HydrophobicContact CG-CB 4.34Å; K79-L132 PolarHBondContact NZ-O 2.96Å; I128-L132 HydrophobicContact CG2-CD1 4.07Å; I128-L132 HydrophobicContact CG2-CG 4.17Å; I128-L132 VanDerWaalsContact O-CG 3.32Å; I128-L132 WeakPolarHBondContact O-CG 3.44Å; I128-L132 PolarHBondContact O-N 2.97Å; E129-L132 PolarHBondContact O-N 3.17Å; E129-L132 VanDerWaalsContact O-N 3.11Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.89Å; L132-K136 WeakPolarHBondContact O-CA 3.46Å; L132-I138 HydrophobicContact CD2-CD1 3.99Å; L132-I138 HydrophobicContact CD2-CG1 3.74Å |
| 133 | Y | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -96.5 | -42.5 | -168.3 | -69.5 | -87.8 | 0 | 0 | 0 | 113.4 | K79 Y82 E129 K136 Y193 | K79-Y133 WeakPolarHBondContact CA-OH 3.05Å; K79-Y133 HydrophobicContact CB-CE1 4.37Å; K79-Y133 HydrophobicContact CD-CD1 4.17Å; K79-Y133 HydrophobicContact CD-CE1 3.77Å; K79-Y133 HydrophobicContact CG-CE1 3.94Å; K79-Y133 HydrophobicContact CG-CE2 4.11Å; K79-Y133 PolarHBondContact O-OH 3.26Å; K79-Y133 VanDerWaalsContact O-OH 3.14Å; Y82-Y133 HydrophobicContact CD1-CE2 4.16Å; Y82-Y133 HydrophobicContact CG-CE2 4.3Å; E129-Y133 HydrophobicContact CG-CD2 3.9Å; E129-Y133 HydrophobicContact CG-CE2 4.35Å; E129-Y133 VanDerWaalsContact O-CD2 3.31Å; E129-Y133 WeakPolarHBondContact O-CD2 3.48Å; E129-Y133 PolarHBondContact O-N 3.39Å; Y133-K136 VanDerWaalsContact O-CE 3.25Å; Y133-K136 WeakPolarHBondContact O-CE 3.38Å; Y133-K136 WeakPolarHBondContact O-CG 3.45Å; Y133-Y193 WeakPolarHBondContact CB-O 3.41Å |
| 134 | E | 98.4 | Very high | 98.7 | Very high | 117 Ų | 117 | 52.4 Ų | 52.4 | 55% | 0.547 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -59.4 | 179.9 | 179.9 | 62.8 | -166.6 | 0 | 0 | 111.2 | K130 K136 Y193 | K130-E134 HydrophobicContact CG-CB 4.05Å; K130-E134 HydrophobicContact CG-CG 4.48Å; K130-E134 WeakPolarHBondContact O-CA 3.31Å; K130-E134 WeakPolarHBondContact O-CB 3.48Å; K130-E134 PolarHBondContact O-N 3.07Å; E134-K136 PolarHBondContact O-N 2.9Å; E134-Y193 HydrophobicContact CB-CD1 3.79Å; E134-Y193 HydrophobicContact CB-CE1 4.38Å; E134-Y193 HydrophobicContact CB-CG 4.39Å; E134-Y193 HydrophobicContact CG-CD1 4.31Å |
| 135 | D | 98.6 | Very high | 98.7 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -75.6 | -16.5 | -176.6 | -58.1 | -25.2 | 0 | 0 | 0 | 112.1 | K130 A131 K137 | K130-D135 IonicContact NZ-OD1 2.61Å; K130-D135 PolarHBondContact NZ-OD1 3.25Å; K130-D135 IonicContact NZ-OD2 2.88Å; K130-D135 PolarHBondContact NZ-OD2 3Å; K130-D135 PolarHBondContact O-N 3.48Å; A131-D135 CarbonylContact O-C 3.57Å; D135-K137 HydrophobicContact CB-CD 4.32Å; D135-K137 HydrophobicContact CB-CG 3.94Å; D135-K137 PolarHBondContact O-N 2.87Å |
| 136 | K | 98.5 | Very high | 98.7 | Very high | 153 Ų | 153 | 53.4 Ų | 53.4 | 67% | 0.665 | 26% | 0.256 | S | S | * | . | trans | 51.1 | 41.4 | 175.7 | -62.7 | 171 | -171.2 | 173.4 | 0 | 113.1 | A131 L132 Y133 E134 | A131-K136 PolarHBondContact O-N 2.92Å; L132-K136 WeakPolarHBondContact O-CA 3.46Å; Y133-K136 VanDerWaalsContact O-CE 3.25Å; Y133-K136 WeakPolarHBondContact O-CE 3.38Å; Y133-K136 WeakPolarHBondContact O-CG 3.45Å; E134-K136 PolarHBondContact O-N 2.9Å | ||
| 137 | K | 98.4 | Very high | 98.7 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | trans | -141.4 | 157.6 | -177.5 | 65.3 | 175.8 | 179.9 | 159.2 | 0 | 112.6 | A131 D135 D139 | A131-K137 PolarHBondContact O-N 3.46Å; D135-K137 HydrophobicContact CB-CD 4.32Å; D135-K137 HydrophobicContact CB-CG 3.94Å; D135-K137 PolarHBondContact O-N 2.87Å; K137-D139 VanDerWaalsContact CE-OD2 3.31Å; K137-D139 WeakPolarHBondContact CE-OD2 3.36Å; K137-D139 IonicContact NZ-OD2 2.69Å; K137-D139 PolarHBondContact NZ-OD2 3.42Å | ||
| 138 | I | 98.7 | Very high | 98.7 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | trans | -126.6 | 106.1 | 165.3 | -66.8 | 167.5 | 0 | 0 | 0 | 106.1 | I70 M75 L132 K143 | I70-I138 HydrophobicContact CG2-CG2 3.86Å; I70-I138 VanDerWaalsContact O-CG2 3.26Å; I70-I138 WeakPolarHBondContact O-CG2 3.36Å; M75-I138 HydrophobicContact CB-CD1 4.36Å; M75-I138 HydrophobicContact CE-CD1 4.19Å; M75-I138 HydrophobicContact CE-CG1 3.95Å; L132-I138 HydrophobicContact CD2-CD1 3.99Å; L132-I138 HydrophobicContact CD2-CG1 3.74Å; I138-K143 HydrophobicContact CG2-CG 4.23Å | ||
| 139 | D | 98.3 | Very high | 98.7 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | trans | -118.6 | -176.7 | 178.1 | 62.9 | 9.2 | 0 | 0 | 0 | 111.3 | K137 V141 T142 K143 | K137-D139 VanDerWaalsContact CE-OD2 3.31Å; K137-D139 WeakPolarHBondContact CE-OD2 3.36Å; K137-D139 IonicContact NZ-OD2 2.69Å; K137-D139 PolarHBondContact NZ-OD2 3.42Å; D139-V141 PolarHBondContact O-N 2.82Å; D139-V141 WeakPolarHBondContact OD1-CB 3.41Å; D139-V141 PolarHBondContact OD1-N 3.39Å; D139-T142 PolarHBondContact N-OG1 3.17Å; D139-T142 WeakPolarHBondContact O-CB 3.47Å; D139-T142 PolarHBondContact O-N 2.79Å; D139-T142 VanDerWaalsContact O-N 3.16Å; D139-T142 PolarHBondContact OD1-N 3.37Å; D139-T142 PolarHBondContact OD1-OG1 3.38Å; D139-K143 WeakPolarHBondContact O-CG 3.47Å; D139-K143 PolarHBondContact O-N 2.65Å | ||
| 140 | D | 98.5 | Very high | 98.7 | Very high | 135 Ų | 135 | 58.8 Ų | 58.8 | 72% | 0.722 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.5 | -28.7 | -179.3 | -67.3 | -19.8 | 0 | 0 | 0 | 112.8 | K144 | D140-K144 WeakPolarHBondContact O-CB 3.38Å; D140-K144 PolarHBondContact O-N 2.9Å |
| 141 | V | 98.2 | Very high | 98.7 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 53% | 0.527 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.6 | -48.7 | 174 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | D139 K143 K144 D145 | D139-V141 PolarHBondContact O-N 2.82Å; D139-V141 WeakPolarHBondContact OD1-CB 3.41Å; D139-V141 PolarHBondContact OD1-N 3.39Å; V141-K143 VanDerWaalsContact C-N 3.29Å; V141-K143 PolarHBondContact O-N 2.94Å; V141-K144 WeakPolarHBondContact O-CB 3.2Å; V141-K144 PolarHBondContact O-N 3.41Å; V141-K144 VanDerWaalsContact O-N 3.12Å; V141-D145 PolarHBondContact O-N 2.82Å |
| 142 | T | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 177.4 | -47.4 | 0 | 0 | 0 | 0 | 111.2 | I70 I128 A131 D139 D145 A146 | I70-T142 HydrophobicContact CG2-CG2 4.04Å; I128-T142 HydrophobicContact CG2-CG2 4.47Å; A131-T142 HydrophobicContact CB-CG2 3.86Å; D139-T142 PolarHBondContact N-OG1 3.17Å; D139-T142 WeakPolarHBondContact O-CB 3.47Å; D139-T142 PolarHBondContact O-N 2.79Å; D139-T142 VanDerWaalsContact O-N 3.16Å; D139-T142 PolarHBondContact OD1-N 3.37Å; D139-T142 PolarHBondContact OD1-OG1 3.38Å; T142-D145 PolarHBondContact O-N 3.23Å; T142-A146 WeakPolarHBondContact O-CB 3.41Å; T142-A146 PolarHBondContact O-N 3.29Å |
| 143 | K | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.5 | -70.4 | 176 | -173.2 | -179.7 | 0 | 112.1 | I70 N73 I138 D139 V141 A146 Q147 | I70-K143 HydrophobicContact CG2-CG 4.1Å; N73-K143 WeakPolarHBondContact OD1-CE 3.49Å; N73-K143 PolarHBondContact OD1-NZ 3.22Å; I138-K143 HydrophobicContact CG2-CG 4.23Å; D139-K143 WeakPolarHBondContact O-CG 3.47Å; D139-K143 PolarHBondContact O-N 2.65Å; V141-K143 VanDerWaalsContact C-N 3.29Å; V141-K143 PolarHBondContact O-N 2.94Å; K143-A146 PolarHBondContact O-N 2.95Å; K143-Q147 WeakPolarHBondContact O-CG 3.37Å; K143-Q147 PolarHBondContact O-N 3.42Å |
| 144 | K | 98.7 | Very high | 98.7 | Very high | 160 Ų | 160 | 64.8 Ų | 64.8 | 70% | 0.696 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 175.5 | -177.2 | -176.2 | 174.9 | -173 | 0 | 111.6 | D140 V141 A146 Q147 Q148 | D140-K144 WeakPolarHBondContact O-CB 3.38Å; D140-K144 PolarHBondContact O-N 2.9Å; V141-K144 WeakPolarHBondContact O-CB 3.2Å; V141-K144 PolarHBondContact O-N 3.41Å; V141-K144 VanDerWaalsContact O-N 3.12Å; K144-A146 VanDerWaalsContact C-N 3.32Å; K144-A146 PolarHBondContact O-N 3.31Å; K144-Q147 PolarHBondContact O-N 3.02Å; K144-Q148 PolarHBondContact O-N 3.48Å |
| 145 | D | 98.7 | Very high | 98.7 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.118 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 176.5 | -71.8 | -33.8 | 0 | 0 | 0 | 110.9 | K127 I128 V141 T142 Q148 L149 | K127-D145 WeakPolarHBondContact CD-OD2 3.34Å; K127-D145 WeakPolarHBondContact CE-OD2 3.3Å; K127-D145 VanDerWaalsContact NZ-CG 3.33Å; K127-D145 IonicContact NZ-OD1 2.85Å; K127-D145 PolarHBondContact NZ-OD1 3.14Å; K127-D145 IonicContact NZ-OD2 2.78Å; K127-D145 PolarHBondContact NZ-OD2 3.39Å; K127-D145 VanDerWaalsContact NZ-OD2 3.13Å; I128-D145 HydrophobicContact CD1-CB 4.48Å; I128-D145 HydrophobicContact CG1-CB 4.13Å; V141-D145 PolarHBondContact O-N 2.82Å; T142-D145 PolarHBondContact O-N 3.23Å; D145-Q148 PolarHBondContact O-N 2.84Å; D145-L149 PolarHBondContact O-N 2.94Å |
| 146 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V67 I70 I128 T142 K143 K144 Q148 L149 L150 | V67-A146 HydrophobicContact CG1-CB 4.15Å; V67-A146 HydrophobicContact CG2-CB 4.1Å; V67-A146 WeakPolarHBondContact CG2-O 3.41Å; I70-A146 HydrophobicContact CB-CB 4.15Å; I70-A146 HydrophobicContact CD1-CB 3.64Å; I70-A146 HydrophobicContact CG2-CB 3.86Å; I128-A146 HydrophobicContact CD1-CB 4.14Å; T142-A146 WeakPolarHBondContact O-CB 3.41Å; T142-A146 PolarHBondContact O-N 3.29Å; K143-A146 PolarHBondContact O-N 2.95Å; K144-A146 VanDerWaalsContact C-N 3.32Å; K144-A146 PolarHBondContact O-N 3.31Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-L149 PolarHBondContact O-N 3.41Å; A146-L150 PolarHBondContact O-N 3.19Å |
| 147 | Q | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 38% | 0.379 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 173.7 | -70.3 | -57.1 | -55.9 | 0 | 0 | 112.4 | E71 K143 K144 L150 K151 | E71-Q147 PolarHBondContact OE1-NE2 3.32Å; K143-Q147 WeakPolarHBondContact O-CG 3.37Å; K143-Q147 PolarHBondContact O-N 3.42Å; K144-Q147 PolarHBondContact O-N 3.02Å; Q147-L150 PolarHBondContact O-N 2.77Å; Q147-K151 PolarHBondContact O-N 3.45Å; Q147-K151 VanDerWaalsContact O-N 3.09Å |
| 148 | Q | 98.9 | Very high | 98.7 | Very high | 70 Ų | 70 | 54 Ų | 54 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 176.2 | -176.8 | 53.4 | 57.9 | 0 | 0 | 110.5 | K144 D145 A146 L150 K151 D152 | K144-Q148 PolarHBondContact O-N 3.48Å; D145-Q148 PolarHBondContact O-N 2.84Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; Q148-L150 VanDerWaalsContact C-N 3.31Å; Q148-L150 PolarHBondContact O-N 3.08Å; Q148-K151 WeakPolarHBondContact O-CA 3.2Å; Q148-K151 WeakPolarHBondContact O-CB 3.38Å; Q148-K151 PolarHBondContact O-N 2.89Å; Q148-D152 PolarHBondContact NE2-OD1 2.71Å; Q148-D152 PolarHBondContact NE2-OD2 3.38Å; Q148-D152 PolarHBondContact O-N 3.39Å; Q148-D152 VanDerWaalsContact O-OD2 3.08Å |
| 149 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.7 | -44.5 | 173.5 | 172.5 | 63.6 | 0 | 0 | 0 | 112.2 | T63 F66 I106 Y125 I128 D145 A146 K151 D152 A153 | T63-L149 HydrophobicContact CG2-CD2 4.25Å; T63-L149 HydrophobicContact CG2-CG 3.99Å; F66-L149 HydrophobicContact CD1-CD2 4.18Å; F66-L149 HydrophobicContact CE1-CD2 4.04Å; I106-L149 HydrophobicContact CG1-CD1 4.46Å; I106-L149 HydrophobicContact CG2-CD1 4.26Å; Y125-L149 HydrophobicContact CD1-CD2 4.13Å; Y125-L149 HydrophobicContact CD2-CD1 3.59Å; Y125-L149 HydrophobicContact CD2-CD2 3.81Å; Y125-L149 HydrophobicContact CD2-CG 4.32Å; Y125-L149 HydrophobicContact CE1-CD2 3.98Å; Y125-L149 HydrophobicContact CE2-CD1 3.57Å; Y125-L149 HydrophobicContact CE2-CD2 3.6Å; Y125-L149 HydrophobicContact CE2-CG 4.05Å; Y125-L149 HydrophobicContact CG-CD1 4.47Å; Y125-L149 HydrophobicContact CG-CD2 4.06Å; I128-L149 HydrophobicContact CD1-CB 4.2Å; I128-L149 HydrophobicContact CD1-CD2 3.69Å; D145-L149 PolarHBondContact O-N 2.94Å; A146-L149 PolarHBondContact O-N 3.41Å; L149-K151 VanDerWaalsContact C-N 3.28Å; L149-K151 PolarHBondContact O-N 3.25Å; L149-D152 PolarHBondContact O-N 2.64Å; L149-A153 WeakPolarHBondContact O-CB 3.36Å; L149-A153 PolarHBondContact O-N 3.27Å |
| 150 | L | 98.9 | Very high | 98.5 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.9 | -176.2 | 53.8 | 0 | 0 | 0 | 112.4 | L60 T63 E64 V67 A146 Q147 Q148 K154 | L60-L150 HydrophobicContact CD1-CD1 3.98Å; T63-L150 HydrophobicContact CG2-CD1 4.14Å; E64-L150 HydrophobicContact CB-CD1 4.45Å; E64-L150 HydrophobicContact CG-CD1 3.56Å; V67-L150 HydrophobicContact CG1-CB 4.46Å; V67-L150 HydrophobicContact CG1-CD2 4.27Å; V67-L150 HydrophobicContact CG2-CB 4.12Å; A146-L150 PolarHBondContact O-N 3.19Å; Q147-L150 PolarHBondContact O-N 2.77Å; Q148-L150 VanDerWaalsContact C-N 3.31Å; Q148-L150 PolarHBondContact O-N 3.08Å; L150-K154 HydrophobicContact CD1-CD 4.47Å; L150-K154 HydrophobicContact CD1-CG 4.45Å; L150-K154 HydrophobicContact CG-CD 4.32Å; L150-K154 WeakPolarHBondContact O-CB 3.44Å; L150-K154 VanDerWaalsContact O-CG 3.29Å; L150-K154 WeakPolarHBondContact O-CG 3.48Å; L150-K154 PolarHBondContact O-N 2.8Å |
| 151 | K | 98.9 | Very high | 98.2 | Very high | 124 Ų | 124 | 55.8 Ų | 55.8 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 177.1 | -176.8 | -173.4 | 171.2 | -166.9 | 0 | 110.8 | Q147 Q148 L149 K154 E155 | Q147-K151 PolarHBondContact O-N 3.45Å; Q147-K151 VanDerWaalsContact O-N 3.09Å; Q148-K151 WeakPolarHBondContact O-CA 3.2Å; Q148-K151 WeakPolarHBondContact O-CB 3.38Å; Q148-K151 PolarHBondContact O-N 2.89Å; L149-K151 VanDerWaalsContact C-N 3.28Å; L149-K151 PolarHBondContact O-N 3.25Å; K151-K154 PolarHBondContact O-N 3.01Å; K151-E155 PolarHBondContact O-N 3.22Å |
| 152 | D | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 179.7 | -61.5 | -40.1 | 0 | 0 | 0 | 111.1 | L102 I106 Q148 L149 K154 E155 L156 | L102-D152 HydrophobicContact CD2-CB 4.24Å; I106-D152 HydrophobicContact CD1-CB 4.34Å; I106-D152 HydrophobicContact CG1-CB 3.87Å; Q148-D152 PolarHBondContact NE2-OD1 2.71Å; Q148-D152 PolarHBondContact NE2-OD2 3.38Å; Q148-D152 PolarHBondContact O-N 3.39Å; Q148-D152 VanDerWaalsContact O-OD2 3.08Å; L149-D152 PolarHBondContact O-N 2.64Å; D152-K154 PolarHBondContact O-N 3.01Å; D152-E155 PolarHBondContact O-N 3.26Å; D152-L156 PolarHBondContact O-N 3.42Å |
| 153 | A | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F59 L60 T63 L149 L156 H157 | F59-A153 HydrophobicContact CD1-CB 4.26Å; F59-A153 HydrophobicContact CE1-CB 3.71Å; F59-A153 HydrophobicContact CZ-CB 4.43Å; L60-A153 HydrophobicContact CD1-CB 4.38Å; T63-A153 HydrophobicContact CG2-CB 4.06Å; L149-A153 WeakPolarHBondContact O-CB 3.36Å; L149-A153 PolarHBondContact O-N 3.27Å; A153-L156 PolarHBondContact O-N 2.81Å; A153-H157 WeakPolarHBondContact O-CB 3.12Å; A153-H157 PolarHBondContact O-N 2.81Å |
| 154 | K | 98.9 | Very high | 97.7 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 173.7 | -77.9 | 175.2 | 177.2 | 175 | 0 | 112.1 | L60 L150 K151 D152 A158 | L60-K154 HydrophobicContact CD1-CB 4.46Å; L60-K154 HydrophobicContact CD1-CG 3.49Å; L60-K154 VanDerWaalsContact CD1-CG 3.49Å; L60-K154 HydrophobicContact CD2-CG 4.34Å; L150-K154 HydrophobicContact CD1-CD 4.47Å; L150-K154 HydrophobicContact CD1-CG 4.45Å; L150-K154 HydrophobicContact CG-CD 4.32Å; L150-K154 WeakPolarHBondContact O-CB 3.44Å; L150-K154 VanDerWaalsContact O-CG 3.29Å; L150-K154 WeakPolarHBondContact O-CG 3.48Å; L150-K154 PolarHBondContact O-N 2.8Å; K151-K154 PolarHBondContact O-N 3.01Å; D152-K154 PolarHBondContact O-N 3.01Å; K154-A158 WeakPolarHBondContact O-CB 3.47Å; K154-A158 PolarHBondContact O-N 3.36Å |
| 155 | E | 98.8 | Very high | 97.6 | Very high | 69 Ų | 69 | 54.9 Ų | 54.9 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 177.2 | -167.9 | 177.7 | 150.7 | 0 | 0 | 111.3 | L102 K151 D152 A158 K159 | L102-E155 HydrophobicContact CD1-CB 4.24Å; L102-E155 HydrophobicContact CD1-CG 4.03Å; L102-E155 HydrophobicContact CD2-CB 4.08Å; L102-E155 HydrophobicContact CD2-CG 4.22Å; K151-E155 PolarHBondContact O-N 3.22Å; D152-E155 PolarHBondContact O-N 3.26Å; E155-A158 PolarHBondContact O-N 2.71Å; E155-K159 HydrophobicContact CG-CD 4.47Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 3.2Å; E155-K159 WeakPolarHBondContact OE1-CE 3.2Å; E155-K159 IonicContact OE1-NZ 3.82Å; E155-K159 PolarHBondContact OE1-NZ 2.83Å |
| 156 | L | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 175.3 | 178.3 | 55.5 | 0 | 0 | 0 | 111.3 | L56 Y89 F99 L102 I106 D152 A153 A158 K159 A160 | L56-L156 HydrophobicContact CD1-CD1 4.23Å; L56-L156 HydrophobicContact CD1-CG 4.07Å; L56-L156 HydrophobicContact CD2-CD2 3.62Å; L56-L156 HydrophobicContact CD2-CG 3.93Å; Y89-L156 HydrophobicContact CD2-CD2 4.15Å; Y89-L156 HydrophobicContact CE2-CD2 3.72Å; F99-L156 HydrophobicContact CB-CD1 3.88Å; F99-L156 HydrophobicContact CD1-CD1 3.59Å; F99-L156 HydrophobicContact CD2-CD1 4.1Å; F99-L156 HydrophobicContact CD2-CD2 4.07Å; F99-L156 HydrophobicContact CE1-CD1 4.14Å; F99-L156 HydrophobicContact CE2-CD2 4.25Å; F99-L156 HydrophobicContact CG-CD1 3.58Å; F99-L156 HydrophobicContact CG-CD2 4.39Å; L102-L156 HydrophobicContact CD1-CB 4.02Å; L102-L156 HydrophobicContact CD1-CD1 4.41Å; I106-L156 HydrophobicContact CD1-CB 4.15Å; I106-L156 HydrophobicContact CD1-CD2 3.69Å; D152-L156 PolarHBondContact O-N 3.42Å; A153-L156 PolarHBondContact O-N 2.81Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.4Å; L156-K159 PolarHBondContact O-N 3.45Å; L156-A160 PolarHBondContact O-N 2.98Å; L156-A160 VanDerWaalsContact O-N 3.15Å |
| 157 | H | 98.5 | Very high | 97.3 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57 | -41.7 | 176.2 | 178.3 | -87.9 | 0 | 0 | 0 | 112.3 | L60 A153 K159 A160 | L60-H157 HydrophobicContact CB-CB 4.45Å; L60-H157 HydrophobicContact CD2-CB 3.9Å; A153-H157 WeakPolarHBondContact O-CB 3.12Å; A153-H157 PolarHBondContact O-N 2.81Å; H157-K159 PolarHBondContact O-N 2.88Å; H157-A160 WeakPolarHBondContact O-CB 3.5Å; H157-A160 PolarHBondContact O-N 3.23Å |
| 158 | A | 98.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 61.4 Ų | 61.4 | 69% | 0.686 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.6 | -20.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K154 E155 L156 | K154-A158 WeakPolarHBondContact O-CB 3.47Å; K154-A158 PolarHBondContact O-N 3.36Å; E155-A158 PolarHBondContact O-N 2.71Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.4Å |
| 159 | K | 97.2 | Very high | 96.9 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -97.2 | -7.6 | 178.2 | -68.5 | 177.8 | -174.4 | 173.9 | 0 | 113.5 | L102 E155 L156 H157 D161 T162 L163 | L102-K159 HydrophobicContact CD1-CD 4.06Å; E155-K159 HydrophobicContact CG-CD 4.47Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 3.2Å; E155-K159 WeakPolarHBondContact OE1-CE 3.2Å; E155-K159 IonicContact OE1-NZ 3.82Å; E155-K159 PolarHBondContact OE1-NZ 2.83Å; L156-K159 PolarHBondContact O-N 3.45Å; H157-K159 PolarHBondContact O-N 2.88Å; K159-D161 VanDerWaalsContact C-N 3.32Å; K159-D161 PolarHBondContact O-N 3.44Å; K159-T162 WeakPolarHBondContact O-CA 3.03Å; K159-T162 PolarHBondContact O-N 2.76Å; K159-T162 PolarHBondContact O-OG1 3.08Å; K159-L163 PolarHBondContact O-N 2.74Å |
| 160 | A | 95.9 | Very high | 96.9 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -51.3 | -46.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L56 L156 H157 T162 L163 | L56-A160 HydrophobicContact CD1-CB 3.79Å; L156-A160 PolarHBondContact O-N 2.98Å; L156-A160 VanDerWaalsContact O-N 3.15Å; H157-A160 WeakPolarHBondContact O-CB 3.5Å; H157-A160 PolarHBondContact O-N 3.23Å; A160-T162 PolarHBondContact O-N 3.39Å; A160-T162 VanDerWaalsContact O-N 3.1Å; A160-L163 VanDerWaalsContact O-CG 3.3Å; A160-L163 WeakPolarHBondContact O-CG 3.43Å; A160-L163 PolarHBondContact O-N 3.01Å |
| 161 | D | 92.4 | Very high | 96.7 | Very high | 146 Ų | 146 | 59.2 Ų | 59.2 | 78% | 0.781 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -68.5 | -7.6 | 179.3 | -76.5 | -22.6 | 0 | 0 | 0 | 114.7 | K159 | K159-D161 VanDerWaalsContact C-N 3.32Å; K159-D161 PolarHBondContact O-N 3.44Å |
| 162 | T | 94.6 | Very high | 96.5 | Very high | 113 Ų | 113 | 58 Ų | 58 | 69% | 0.693 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -114.8 | 3.3 | -177 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | K159 A160 D164 | K159-T162 WeakPolarHBondContact O-CA 3.03Å; K159-T162 PolarHBondContact O-N 2.76Å; K159-T162 PolarHBondContact O-OG1 3.08Å; A160-T162 PolarHBondContact O-N 3.39Å; A160-T162 VanDerWaalsContact O-N 3.1Å; T162-D164 PolarHBondContact O-N 2.79Å |
| 163 | L | 95.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | trans | -63.5 | 132.7 | 176.1 | -61.8 | 174.3 | 0 | 0 | 0 | 110 | T52 L56 A98 F99 K159 A160 I165 | T52-L163 HydrophobicContact CG2-CD1 4.2Å; L56-L163 HydrophobicContact CD1-CD1 4.35Å; A98-L163 HydrophobicContact CB-CB 4.29Å; A98-L163 HydrophobicContact CB-CD2 4.19Å; A98-L163 VanDerWaalsContact O-CD2 3.3Å; A98-L163 WeakPolarHBondContact O-CD2 3.15Å; F99-L163 HydrophobicContact CD1-CD1 3.94Å; F99-L163 HydrophobicContact CD1-CD2 3.9Å; F99-L163 HydrophobicContact CE1-CD1 3.65Å; F99-L163 HydrophobicContact CE1-CD2 4.46Å; K159-L163 PolarHBondContact O-N 2.74Å; A160-L163 VanDerWaalsContact O-CG 3.3Å; A160-L163 WeakPolarHBondContact O-CG 3.43Å; A160-L163 PolarHBondContact O-N 3.01Å; L163-I165 HydrophobicContact CB-CD1 4.14Å; L163-I165 HydrophobicContact CB-CG1 3.94Å; L163-I165 HydrophobicContact CD1-CD1 4.36Å; L163-I165 PolarHBondContact O-N 2.86Å | ||
| 164 | D | 95.2 | Very high | 96.4 | Very high | 131 Ų | 131 | 58.5 Ų | 58.5 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | trans | -80.8 | 70.9 | 176.6 | -171.9 | 26.3 | 0 | 0 | 0 | 110.6 | T162 | T162-D164 PolarHBondContact O-N 2.79Š| ||
| 165 | I | 96.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | trans | -84 | 122.8 | 177.9 | -62.4 | 176.4 | 0 | 0 | 0 | 108.9 | T45 Y48 D49 T52 V95 L163 M170 | T45-I165 HydrophobicContact CG2-CG2 4.17Å; T45-I165 VanDerWaalsContact CG2-O 3.22Å; T45-I165 WeakPolarHBondContact CG2-O 3.13Å; Y48-I165 HydrophobicContact CD1-CD1 4.45Å; Y48-I165 HydrophobicContact CD1-CG2 4Å; D49-I165 VanDerWaalsContact OD1-CB 3.28Å; D49-I165 WeakPolarHBondContact OD1-CB 3.11Å; D49-I165 WeakPolarHBondContact OD1-CD1 3.25Å; T52-I165 HydrophobicContact CG2-CD1 4.33Å; V95-I165 HydrophobicContact CB-CD1 4.47Å; V95-I165 HydrophobicContact CB-CG1 4.35Å; V95-I165 HydrophobicContact CG1-CG1 4.39Å; V95-I165 HydrophobicContact CG1-CG2 4.22Å; V95-I165 HydrophobicContact CG2-CD1 4.05Å; V95-I165 HydrophobicContact CG2-CG1 4.45Å; L163-I165 HydrophobicContact CB-CD1 4.14Å; L163-I165 HydrophobicContact CB-CG1 3.94Å; L163-I165 HydrophobicContact CD1-CD1 4.36Å; L163-I165 PolarHBondContact O-N 2.86Å; I165-M170 HydrophobicContact CG2-CG 3.71Å; I165-M170 HydrophobicContact CG2-SD 3.9Å | ||
| 166 | T | 95.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | trans | -121.1 | 155.9 | 177.7 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | K168 L169 M170 | T166-K168 PolarHBondContact O-N 3.45Å; T166-K168 VanDerWaalsContact O-N 3.14Å; T166-L169 PolarHBondContact O-N 3.43Å; T166-L169 VanDerWaalsContact O-N 3.08Å; T166-L169 WeakPolarHBondContact OG1-CB 3.45Å; T166-L169 PolarHBondContact OG1-N 3.31Å; T166-L169 VanDerWaalsContact OG1-N 3.1Å; T166-M170 VanDerWaalsContact O-CG 3.31Å; T166-M170 WeakPolarHBondContact O-CG 3.31Å; T166-M170 PolarHBondContact O-N 3Å | ||
| 167 | P | 95.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.4 | -35.2 | 172.7 | -25.1 | 31.3 | 0 | 0 | 0 | 113.3 | L41 T45 L171 F215 | L41-P167 HydrophobicContact CB-CG 4.2Å; L41-P167 HydrophobicContact CD2-CB 4.43Å; T45-P167 WeakPolarHBondContact OG1-CD 3.47Å; T45-P167 WeakPolarHBondContact OG1-CG 3.44Å; P167-L171 WeakPolarHBondContact O-CG 3.2Å; P167-L171 PolarHBondContact O-N 2.86Å; P167-L171 VanDerWaalsContact O-N 3.07Å; P167-F215 HydrophobicContact CB-CE1 4.3Å; P167-F215 HydrophobicContact CB-CZ 3.87Å |
| 168 | K | 94.4 | Very high | 96 | Very high | 161 Ų | 161 | 52.8 Ų | 52.8 | 70% | 0.7 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.1 | -49 | 176.9 | -176.5 | -177 | 175.9 | -170.7 | 0 | 111.4 | T166 M170 L171 Q172 | T166-K168 PolarHBondContact O-N 3.45Å; T166-K168 VanDerWaalsContact O-N 3.14Å; K168-M170 VanDerWaalsContact C-N 3.35Å; K168-M170 PolarHBondContact O-N 3.16Å; K168-L171 PolarHBondContact O-N 2.92Å; K168-Q172 VanDerWaalsContact O-CB 3.3Å; K168-Q172 WeakPolarHBondContact O-CB 3.41Å; K168-Q172 PolarHBondContact O-N 3.48Å |
| 169 | L | 95.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.6 | 178.2 | 63.1 | 0 | 0 | 0 | 110.6 | V95 E97 A98 T166 L171 Q172 G173 | V95-L169 HydrophobicContact CB-CD2 4.09Å; V95-L169 HydrophobicContact CB-CG 4.47Å; V95-L169 HydrophobicContact CG1-CD2 4.12Å; V95-L169 HydrophobicContact CG1-CG 4.15Å; E97-L169 HydrophobicContact CB-CD1 4.26Å; A98-L169 HydrophobicContact CB-CD2 4.07Å; T166-L169 PolarHBondContact O-N 3.43Å; T166-L169 VanDerWaalsContact O-N 3.08Å; T166-L169 WeakPolarHBondContact OG1-CB 3.45Å; T166-L169 PolarHBondContact OG1-N 3.31Å; T166-L169 VanDerWaalsContact OG1-N 3.1Å; L169-L171 PolarHBondContact O-N 3.26Å; L169-Q172 PolarHBondContact O-N 3.29Å; L169-G173 PolarHBondContact O-N 3.14Å |
| 170 | M | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.5 | -49.4 | 178.7 | -65.4 | 165.3 | 64.1 | 0 | 0 | 112 | T45 Y48 V95 I165 T166 K168 S174 I211 F215 | T45-M170 HydrophobicContact CG2-SD 4.36Å; Y48-M170 VanDerWaalsContact CB-CE 3.43Å; Y48-M170 HydrophobicContact CD1-CE 3.97Å; Y48-M170 HydrophobicContact CD1-CG 3.95Å; Y48-M170 HydrophobicContact CD1-SD 4.15Å; Y48-M170 HydrophobicContact CD2-CE 4.11Å; Y48-M170 HydrophobicContact CE1-CG 4.31Å; Y48-M170 HydrophobicContact CG-CE 3.55Å; Y48-M170 HydrophobicContact CG-CG 4.5Å; Y48-M170 HydrophobicContact CG-SD 4.27Å; V95-M170 HydrophobicContact CG1-CG 4.28Å; I165-M170 HydrophobicContact CG2-CG 3.71Å; I165-M170 HydrophobicContact CG2-SD 3.9Å; T166-M170 VanDerWaalsContact O-CG 3.31Å; T166-M170 WeakPolarHBondContact O-CG 3.31Å; T166-M170 PolarHBondContact O-N 3Å; K168-M170 VanDerWaalsContact C-N 3.35Å; K168-M170 PolarHBondContact O-N 3.16Å; M170-S174 WeakPolarHBondContact O-CB 3.26Å; M170-S174 PolarHBondContact O-N 3.34Å; M170-S174 VanDerWaalsContact O-N 3.11Å; M170-S174 PolarHBondContact O-OG 3.33Å; M170-I211 HydrophobicContact CB-CD1 3.94Å; M170-I211 HydrophobicContact CB-CG1 4.23Å; M170-I211 HydrophobicContact CB-CG2 3.9Å; M170-I211 HydrophobicContact CE-CG1 4.06Å; M170-I211 HydrophobicContact CE-CG2 4.15Å; M170-I211 HydrophobicContact CG-CD1 4.46Å; M170-I211 WeakPolarHBondContact O-CD1 3.42Å; M170-F215 HydrophobicContact CB-CE2 4.18Å; M170-F215 HydrophobicContact CE-CE1 4.47Å; M170-F215 HydrophobicContact CE-CE2 3.73Å; M170-F215 HydrophobicContact CE-CZ 3.59Å; M170-F215 HydrophobicContact SD-CE2 4.38Å; M170-F215 HydrophobicContact SD-CZ 3.91Å |
| 171 | L | 95.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -47.5 | -179.2 | -69.9 | 176.6 | 0 | 0 | 0 | 112.2 | P167 K168 L169 S174 V175 I211 F215 M279 I282 T283 | P167-L171 WeakPolarHBondContact O-CG 3.2Å; P167-L171 PolarHBondContact O-N 2.86Å; P167-L171 VanDerWaalsContact O-N 3.07Å; K168-L171 PolarHBondContact O-N 2.92Å; L169-L171 PolarHBondContact O-N 3.26Å; L171-S174 PolarHBondContact O-N 2.83Å; L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 2.87Å; L171-I211 HydrophobicContact CD2-CG2 4.38Å; L171-F215 HydrophobicContact CD2-CD2 3.68Å; L171-F215 HydrophobicContact CD2-CE2 3.8Å; L171-F215 HydrophobicContact CG-CD2 4.27Å; L171-F215 HydrophobicContact CG-CE2 3.91Å; L171-M279 HydrophobicContact CD1-CB 4.46Å; L171-M279 HydrophobicContact CD2-CB 3.77Å; L171-M279 HydrophobicContact CD2-CE 4.02Å; L171-M279 HydrophobicContact CD2-SD 4.16Å; L171-I282 HydrophobicContact CD1-CD1 4.07Å; L171-I282 HydrophobicContact CD1-CG1 4.28Å; L171-T283 HydrophobicContact CD1-CG2 4.35Å |
| 172 | Q | 95.3 | Very high | 96.1 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 46% | 0.458 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -49.5 | -177.9 | -175.7 | 60.9 | 50.9 | 0 | 0 | 111 | K168 L169 S174 V175 D176 | K168-Q172 VanDerWaalsContact O-CB 3.3Å; K168-Q172 WeakPolarHBondContact O-CB 3.41Å; K168-Q172 PolarHBondContact O-N 3.48Å; L169-Q172 PolarHBondContact O-N 3.29Å; Q172-S174 VanDerWaalsContact C-N 3.29Å; Q172-S174 PolarHBondContact O-N 3.1Å; Q172-V175 PolarHBondContact O-N 3.29Å; Q172-D176 WeakPolarHBondContact CG-OD2 3.22Å; Q172-D176 PolarHBondContact NE2-OD1 2.87Å; Q172-D176 PolarHBondContact NE2-OD2 2.8Å; Q172-D176 PolarHBondContact O-N 3.27Å |
| 173 | G | 97 | Very high | 96.2 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -33.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P94 L169 L177 | P94-G173 WeakPolarHBondContact O-CA 3.47Å; L169-G173 PolarHBondContact O-N 3.14Å; G173-L177 WeakPolarHBondContact O-CB 3.35Å; G173-L177 PolarHBondContact O-N 3.07Å |
| 174 | S | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 171.6 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | M170 L171 Q172 L178 I211 | M170-S174 WeakPolarHBondContact O-CB 3.26Å; M170-S174 PolarHBondContact O-N 3.34Å; M170-S174 VanDerWaalsContact O-N 3.11Å; M170-S174 PolarHBondContact O-OG 3.33Å; L171-S174 PolarHBondContact O-N 2.83Å; Q172-S174 VanDerWaalsContact C-N 3.29Å; Q172-S174 PolarHBondContact O-N 3.1Å; S174-L178 WeakPolarHBondContact O-CB 3.43Å; S174-L178 VanDerWaalsContact O-CG 3.26Å; S174-L178 WeakPolarHBondContact O-CG 3.13Å; S174-L178 PolarHBondContact O-N 3.17Å; S174-I211 WeakPolarHBondContact OG-CD1 3.13Å |
| 175 | V | 96.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -45.8 | 179.2 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | L171 Q172 L178 N179 L276 | L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 2.87Å; Q172-V175 PolarHBondContact O-N 3.29Å; V175-L178 PolarHBondContact O-N 3.13Å; V175-N179 WeakPolarHBondContact O-CB 3.31Å; V175-N179 PolarHBondContact O-N 3.22Å; V175-N179 PolarHBondContact O-ND2 3.05Å; V175-L276 HydrophobicContact CG2-CB 4.29Å; V175-L276 HydrophobicContact CG2-CD2 4.01Å; V175-L276 HydrophobicContact CG2-CG 4.06Å |
| 176 | D | 96.4 | Very high | 96.4 | Very high | 80 Ų | 80 | 37 Ų | 37 | 43% | 0.428 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.1 | -46.3 | -179.2 | -68.5 | -22.2 | 0 | 0 | 0 | 111.1 | Q172 L178 N179 E180 | Q172-D176 WeakPolarHBondContact CG-OD2 3.22Å; Q172-D176 PolarHBondContact NE2-OD1 2.87Å; Q172-D176 PolarHBondContact NE2-OD2 2.8Å; Q172-D176 PolarHBondContact O-N 3.27Å; D176-L178 PolarHBondContact O-N 3.45Å; D176-N179 WeakPolarHBondContact O-CB 3.5Å; D176-N179 PolarHBondContact O-N 3.31Å; D176-E180 WeakPolarHBondContact O-CB 3.18Å; D176-E180 PolarHBondContact O-N 2.97Å |
| 177 | L | 97.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 177.5 | -180 | 59.2 | 0 | 0 | 0 | 112.4 | E93 P94 G173 E180 V181 N204 | E93-L177 HydrophobicContact CB-CD2 3.98Å; E93-L177 VanDerWaalsContact CD-CD1 3.46Å; E93-L177 HydrophobicContact CG-CD1 4.1Å; E93-L177 HydrophobicContact CG-CD2 4.36Å; E93-L177 WeakPolarHBondContact OE2-CD1 3.35Å; P94-L177 HydrophobicContact CG-CD2 3.82Å; G173-L177 WeakPolarHBondContact O-CB 3.35Å; G173-L177 PolarHBondContact O-N 3.07Å; L177-E180 WeakPolarHBondContact O-CB 3.34Å; L177-E180 PolarHBondContact O-N 2.91Å; L177-V181 VanDerWaalsContact O-CG2 3.31Å; L177-V181 WeakPolarHBondContact O-CG2 3.31Å; L177-V181 PolarHBondContact O-N 3.25Å; L177-N204 HydrophobicContact CD1-CB 4.23Å; L177-N204 HydrophobicContact CD2-CB 3.69Å; L177-N204 HydrophobicContact CG-CB 3.93Å |
| 178 | L | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.3 | -37.2 | 177.3 | -70.8 | 176.5 | 0 | 0 | 0 | 112.1 | S174 V175 D176 E180 V181 A182 V205 A208 V269 L272 L276 | S174-L178 WeakPolarHBondContact O-CB 3.43Å; S174-L178 VanDerWaalsContact O-CG 3.26Å; S174-L178 WeakPolarHBondContact O-CG 3.13Å; S174-L178 PolarHBondContact O-N 3.17Å; V175-L178 PolarHBondContact O-N 3.13Å; D176-L178 PolarHBondContact O-N 3.45Å; L178-E180 VanDerWaalsContact C-N 3.31Å; L178-V181 PolarHBondContact O-N 2.85Å; L178-A182 WeakPolarHBondContact O-CB 3.11Å; L178-A182 PolarHBondContact O-N 3.07Å; L178-V205 HydrophobicContact CD2-CG2 4.02Å; L178-A208 HydrophobicContact CD1-CB 3.96Å; L178-A208 HydrophobicContact CD2-CB 4.33Å; L178-A208 HydrophobicContact CG-CB 4.09Å; L178-V269 HydrophobicContact CB-CG1 3.84Å; L178-V269 HydrophobicContact CD2-CG1 4.15Å; L178-V269 WeakPolarHBondContact O-CG1 3.39Å; L178-L272 HydrophobicContact CD1-CD2 3.68Å; L178-L272 HydrophobicContact CD1-CG 4.05Å; L178-L276 HydrophobicContact CD1-CD2 3.58Å |
| 179 | N | 96.4 | Very high | 96.8 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 173.2 | -73.3 | -26.9 | 0 | 0 | 0 | 111.2 | V175 D176 A182 T183 | V175-N179 WeakPolarHBondContact O-CB 3.31Å; V175-N179 PolarHBondContact O-N 3.22Å; V175-N179 PolarHBondContact O-ND2 3.05Å; D176-N179 WeakPolarHBondContact O-CB 3.5Å; D176-N179 PolarHBondContact O-N 3.31Å; N179-A182 PolarHBondContact O-N 3.38Å; N179-T183 WeakPolarHBondContact O-CB 3.32Å; N179-T183 VanDerWaalsContact O-CG2 3.3Å; N179-T183 WeakPolarHBondContact O-CG2 3.13Å; N179-T183 PolarHBondContact O-N 2.89Å; N179-T183 PolarHBondContact O-OG1 2.96Å |
| 180 | E | 96.9 | Very high | 96.9 | Very high | 69 Ų | 69 | 31.6 Ų | 31.6 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.3 | -50.6 | 175.4 | -168.9 | -178.9 | -177.5 | 0 | 0 | 111 | D176 L177 L178 A182 T183 S184 K185 | D176-E180 WeakPolarHBondContact O-CB 3.18Å; D176-E180 PolarHBondContact O-N 2.97Å; L177-E180 WeakPolarHBondContact O-CB 3.34Å; L177-E180 PolarHBondContact O-N 2.91Å; L178-E180 VanDerWaalsContact C-N 3.31Å; E180-A182 PolarHBondContact O-N 2.7Å; E180-T183 PolarHBondContact O-N 2.72Å; E180-S184 WeakPolarHBondContact CG-OG 3.38Å; E180-S184 PolarHBondContact O-N 3.07Å; E180-S184 PolarHBondContact O-OG 3.06Å; E180-K185 HydrophobicContact CG-CG 4.18Å; E180-K185 PolarHBondContact O-N 3.32Å |
| 181 | V | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.9 | -42.9 | 174 | 168 | 0 | 0 | 0 | 0 | 111.5 | L177 L178 K185 I186 F201 N204 F265 V269 | L177-V181 VanDerWaalsContact O-CG2 3.31Å; L177-V181 WeakPolarHBondContact O-CG2 3.31Å; L177-V181 PolarHBondContact O-N 3.25Å; L178-V181 PolarHBondContact O-N 2.85Å; V181-K185 HydrophobicContact CG2-CD 4.3Å; V181-I186 VanDerWaalsContact O-CB 3.3Å; V181-I186 WeakPolarHBondContact O-CB 3.4Å; V181-I186 PolarHBondContact O-N 2.85Å; V181-I186 VanDerWaalsContact O-N 3.14Å; V181-F201 HydrophobicContact CG1-CD1 4.23Å; V181-F201 HydrophobicContact CG1-CG 4.29Å; V181-N204 HydrophobicContact CG2-CB 4.06Å; V181-N204 WeakPolarHBondContact CG2-OD1 3.2Å; V181-F265 HydrophobicContact CG1-CE1 3.53Å; V181-F265 HydrophobicContact CG1-CZ 3.97Å; V181-V269 HydrophobicContact CG1-CG2 4.48Å |
| 182 | A | 96.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.3 | -21.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L178 N179 E180 I186 A266 V269 N270 | L178-A182 WeakPolarHBondContact O-CB 3.11Å; L178-A182 PolarHBondContact O-N 3.07Å; N179-A182 PolarHBondContact O-N 3.38Å; E180-A182 PolarHBondContact O-N 2.7Å; A182-I186 WeakPolarHBondContact O-CG2 3.27Å; A182-A266 WeakPolarHBondContact O-CB 3.41Å; A182-V269 HydrophobicContact CB-CB 3.94Å; A182-V269 HydrophobicContact CB-CG1 3.84Å; A182-N270 VanDerWaalsContact CB-OD1 3.32Å; A182-N270 WeakPolarHBondContact CB-OD1 3.22Å |
| 183 | T | 96.2 | Very high | 97.3 | Very high | 96 Ų | 96 | 32.1 Ų | 32.1 | 59% | 0.589 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -114.9 | -43.7 | -168.5 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | N179 E180 | N179-T183 WeakPolarHBondContact O-CB 3.32Å; N179-T183 VanDerWaalsContact O-CG2 3.3Å; N179-T183 WeakPolarHBondContact O-CG2 3.13Å; N179-T183 PolarHBondContact O-N 2.89Å; N179-T183 PolarHBondContact O-OG1 2.96Å; E180-T183 PolarHBondContact O-N 2.72Å |
| 184 | S | 96.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -63.7 | -178.7 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | E180 I186 T187 E189 | E180-S184 WeakPolarHBondContact CG-OG 3.38Å; E180-S184 PolarHBondContact O-N 3.07Å; E180-S184 PolarHBondContact O-OG 3.06Å; S184-I186 PolarHBondContact O-N 2.92Å; S184-T187 WeakPolarHBondContact O-CB 3.33Å; S184-T187 VanDerWaalsContact O-CG2 3.29Å; S184-T187 WeakPolarHBondContact O-CG2 3.47Å; S184-T187 PolarHBondContact O-N 2.88Å; S184-T187 PolarHBondContact O-OG1 2.83Å; S184-E189 WeakPolarHBondContact CB-OE1 3.44Å |
| 185 | K | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -58.2 | -30.5 | -171.5 | -51.7 | -166.4 | 173.9 | -173.3 | 0 | 112.6 | E90 E93 E180 V181 T187 G188 E190 F201 | E90-K185 IonicContact OE2-NZ 3.22Å; E93-K185 VanDerWaalsContact CD-NZ 3.32Å; E93-K185 IonicContact OE1-NZ 3.27Å; E93-K185 PolarHBondContact OE1-NZ 2.85Å; E93-K185 IonicContact OE2-NZ 3.63Å; E93-K185 PolarHBondContact OE2-NZ 3.04Å; E93-K185 VanDerWaalsContact OE2-NZ 3.08Å; E180-K185 HydrophobicContact CG-CG 4.18Å; E180-K185 PolarHBondContact O-N 3.32Å; V181-K185 HydrophobicContact CG2-CD 4.3Å; K185-T187 PolarHBondContact O-N 2.88Å; K185-G188 PolarHBondContact O-N 3.33Å; K185-E190 HydrophobicContact CD-CG 4.37Å; K185-E190 WeakPolarHBondContact CE-OE2 3.48Å; K185-E190 IonicContact NZ-OE2 3.99Å; K185-F201 HydrophobicContact CB-CD1 4.38Å; K185-F201 HydrophobicContact CB-CE1 3.61Å; K185-F201 HydrophobicContact CB-CZ 4.37Å; K185-F201 VanDerWaalsContact O-CZ 3.27Å; K185-F201 WeakPolarHBondContact O-CZ 3.26Å |
| 186 | I | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.097 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -57.4 | -14.4 | 174.2 | -162.6 | 50.8 | 0 | 0 | 0 | 115.3 | V181 A182 S184 G188 F201 F254 R262 F265 A266 | V181-I186 VanDerWaalsContact O-CB 3.3Å; V181-I186 WeakPolarHBondContact O-CB 3.4Å; V181-I186 PolarHBondContact O-N 2.85Å; V181-I186 VanDerWaalsContact O-N 3.14Å; A182-I186 WeakPolarHBondContact O-CG2 3.27Å; S184-I186 PolarHBondContact O-N 2.92Å; I186-G188 VanDerWaalsContact C-N 3.26Å; I186-F201 HydrophobicContact CD1-CE2 3.81Å; I186-F201 HydrophobicContact CD1-CZ 4.36Å; I186-F254 HydrophobicContact CD1-CE2 4.39Å; I186-F254 HydrophobicContact CD1-CZ 4.15Å; I186-F254 VanDerWaalsContact O-CZ 3.26Å; I186-F254 WeakPolarHBondContact O-CZ 3.31Å; I186-R262 HydrophobicContact CD1-CB 4.04Å; I186-R262 HydrophobicContact CD1-CG 4.24Å; I186-R262 HydrophobicContact CG1-CB 4.03Å; I186-F265 HydrophobicContact CD1-CB 4.43Å; I186-F265 HydrophobicContact CD1-CD1 3.54Å; I186-F265 HydrophobicContact CD1-CE1 4.25Å; I186-F265 HydrophobicContact CD1-CG 4.39Å; I186-F265 HydrophobicContact CG1-CD1 4.45Å; I186-A266 HydrophobicContact CG1-CB 4.33Å |
| 187 | T | 97.2 | Very high | 97.6 | Very high | 79 Ų | 79 | 31 Ų | 31 | 49% | 0.485 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -74.4 | -21.3 | 173.8 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | S184 K185 E189 R262 | S184-T187 WeakPolarHBondContact O-CB 3.33Å; S184-T187 VanDerWaalsContact O-CG2 3.29Å; S184-T187 WeakPolarHBondContact O-CG2 3.47Å; S184-T187 PolarHBondContact O-N 2.88Å; S184-T187 PolarHBondContact O-OG1 2.83Å; K185-T187 PolarHBondContact O-N 2.88Å; T187-E189 VanDerWaalsContact OG1-CB 3.3Å; T187-E189 WeakPolarHBondContact OG1-CB 3.3Å; T187-E189 WeakPolarHBondContact OG1-CG 3.31Å; T187-E189 PolarHBondContact OG1-N 3.05Å; T187-E189 PolarHBondContact OG1-OE2 2.89Å; T187-E189 VanDerWaalsContact OG1-OE2 3.09Å; T187-R262 PolarHBondContact O-NH1 2.58Å |
| 188 | G | 98 | Very high | 97.7 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 92.3 | 19.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K185 I186 E190 I192 D197 F254 | K185-G188 PolarHBondContact O-N 3.33Å; I186-G188 VanDerWaalsContact C-N 3.26Å; G188-E190 VanDerWaalsContact C-N 3.29Å; G188-I192 WeakPolarHBondContact O-CG2 3.42Å; G188-D197 VanDerWaalsContact C-OD1 3.27Å; G188-D197 WeakPolarHBondContact CA-OD1 3.42Å; G188-F254 VanDerWaalsContact CA-CE1 3.41Å |
| 189 | E | 97.5 | Very high | 97.8 | Very high | 55 Ų | 55 | 31.9 Ų | 31.9 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | trans | -79.1 | -11.4 | -175.8 | 64.4 | 178.2 | -112.6 | 0 | 0 | 114.2 | R109 S184 T187 I192 | R109-E189 WeakPolarHBondContact CD-O 3.41Å; R109-E189 IonicContact CZ-OE1 2.65Å; R109-E189 VanDerWaalsContact NH1-CD 3.28Å; R109-E189 VanDerWaalsContact NH1-CG 3.28Å; R109-E189 PolarHBondContact NH1-O 2.93Å; R109-E189 IonicContact NH1-OE1 3.08Å; R109-E189 PolarHBondContact NH1-OE1 2.87Å; R109-E189 IonicContact NH2-OE1 2.77Å; R109-E189 PolarHBondContact NH2-OE1 2.83Å; S184-E189 WeakPolarHBondContact CB-OE1 3.44Å; T187-E189 VanDerWaalsContact OG1-CB 3.3Å; T187-E189 WeakPolarHBondContact OG1-CB 3.3Å; T187-E189 WeakPolarHBondContact OG1-CG 3.31Å; T187-E189 PolarHBondContact OG1-N 3.05Å; T187-E189 PolarHBondContact OG1-OE2 2.89Å; T187-E189 VanDerWaalsContact OG1-OE2 3.09Å; E189-I192 WeakPolarHBondContact O-CG2 3.24Å | ||
| 190 | E | 98 | Very high | 97.9 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -74.6 | -58.3 | 176.6 | -167.3 | 62 | -152.2 | 0 | 0 | 108.8 | R86 H126 K185 G188 I192 | R86-E190 IonicContact NH2-OE1 3.07Å; R86-E190 PolarHBondContact NH2-OE1 3.37Å; H126-E190 PolarHBondContact CE1-O 2.95Å; H126-E190 IonicContact CE1-OE1 3.34Å; H126-E190 PolarHBondContact ND1-O 3.26Å; H126-E190 IonicContact NE2-OE1 2.71Å; H126-E190 PolarHBondContact NE2-OE1 3.01Å; K185-E190 HydrophobicContact CD-CG 4.37Å; K185-E190 WeakPolarHBondContact CE-OE2 3.48Å; K185-E190 IonicContact NZ-OE2 3.99Å; G188-E190 VanDerWaalsContact C-N 3.29Å; E190-I192 PolarHBondContact O-N 2.94Å |
| 191 | E | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -106.9 | 56.7 | -173.5 | -68.6 | -67.3 | 166.8 | 0 | 0 | 111.3 | Y82 R86 H126 Y193 S194 H195 D197 D200 | Y82-E191 WeakPolarHBondContact CE1-OE1 3.41Å; Y82-E191 WeakPolarHBondContact CE1-OE2 3.46Å; Y82-E191 VanDerWaalsContact OH-CD 3.24Å; Y82-E191 PolarHBondContact OH-OE1 3.19Å; Y82-E191 PolarHBondContact OH-OE2 2.68Å; R86-E191 WeakPolarHBondContact CD-OE1 3.45Å; R86-E191 IonicContact CZ-OE1 3.35Å; R86-E191 IonicContact NE-OE1 2.7Å; R86-E191 PolarHBondContact NE-OE1 3.38Å; R86-E191 IonicContact NH1-OE1 3.42Å; R86-E191 IonicContact NH2-OE1 3.66Å; H126-E191 IonicContact CE1-OE1 3.13Å; E191-Y193 PolarHBondContact O-N 3.09Å; E191-Y193 VanDerWaalsContact O-N 3.09Å; E191-S194 WeakPolarHBondContact CB-OG 3.36Å; E191-S194 PolarHBondContact O-N 3.01Å; E191-S194 PolarHBondContact OE2-OG 3.29Å; E191-H195 VanDerWaalsContact O-CA 3.31Å; E191-H195 WeakPolarHBondContact O-CA 3.44Å; E191-H195 PolarHBondContact O-N 3.32Å; E191-H195 PolarHBondContact O-ND1 3.42Å; E191-D197 PolarHBondContact N-OD1 2.82Å; E191-D197 VanDerWaalsContact N-OD1 3.07Å; E191-D200 WeakPolarHBondContact CG-OD2 3.48Å |
| 192 | I | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 26.5 Ų | 26.5 | 43% | 0.426 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.6 | -172.8 | 58.5 | 171.1 | 0 | 0 | 0 | 114.2 | G188 E189 E190 H195 | G188-I192 WeakPolarHBondContact O-CG2 3.42Å; E189-I192 WeakPolarHBondContact O-CG2 3.24Å; E190-I192 PolarHBondContact O-N 2.94Å; I192-H195 PolarHBondContact O-CE1 3.4Å |
| 193 | Y | 98.7 | Very high | 98.2 | Very high | 43 Ų | 43 | 26.2 Ų | 26.2 | 17% | 0.169 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -37.9 | -179.4 | -46 | -71.4 | 0 | 0 | 0 | 112 | E129 K130 Y133 E134 E191 | E129-Y193 HydrophobicContact CB-CD2 4.41Å; E129-Y193 HydrophobicContact CG-CD2 4.17Å; E129-Y193 WeakPolarHBondContact OE1-CA 3.34Å; E129-Y193 WeakPolarHBondContact OE1-CB 3.31Å; E129-Y193 PolarHBondContact OE1-N 3.41Å; E129-Y193 WeakPolarHBondContact OE2-CD2 3.39Å; K130-Y193 HydrophobicContact CB-CD1 4.46Å; K130-Y193 HydrophobicContact CB-CD2 3.74Å; K130-Y193 HydrophobicContact CB-CE1 4.27Å; K130-Y193 HydrophobicContact CB-CE2 3.54Å; K130-Y193 HydrophobicContact CB-CG 4.21Å; K130-Y193 HydrophobicContact CD-CE1 4.25Å; K130-Y193 HydrophobicContact CD-CE2 4.43Å; K130-Y193 HydrophobicContact CG-CD1 4.19Å; K130-Y193 HydrophobicContact CG-CD2 4.32Å; K130-Y193 HydrophobicContact CG-CE1 3.8Å; K130-Y193 HydrophobicContact CG-CE2 3.97Å; K130-Y193 HydrophobicContact CG-CG 4.43Å; Y133-Y193 WeakPolarHBondContact CB-O 3.41Å; E134-Y193 HydrophobicContact CB-CD1 3.79Å; E134-Y193 HydrophobicContact CB-CE1 4.38Å; E134-Y193 HydrophobicContact CB-CG 4.39Å; E134-Y193 HydrophobicContact CG-CD1 4.31Å; E191-Y193 PolarHBondContact O-N 3.09Å; E191-Y193 VanDerWaalsContact O-N 3.09Å |
| 194 | S | 98.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 11% | 0.105 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -25.2 | -174.2 | 81.1 | 0 | 0 | 0 | 0 | 113.5 | E129 E191 T196 | E129-S194 WeakPolarHBondContact OE1-CB 3.37Å; E129-S194 PolarHBondContact OE1-N 3.02Å; E129-S194 PolarHBondContact OE1-OG 3.4Å; E191-S194 WeakPolarHBondContact CB-OG 3.36Å; E191-S194 PolarHBondContact O-N 3.01Å; E191-S194 PolarHBondContact OE2-OG 3.29Å; S194-T196 VanDerWaalsContact C-N 3.25Å; S194-T196 PolarHBondContact O-N 3.19Å; S194-T196 PolarHBondContact OG-N 3.17Å; S194-T196 PolarHBondContact OG-OG1 3.45Å |
| 195 | H | 98.6 | Very high | 98.4 | Very high | 59 Ų | 59 | 20.5 Ų | 20.5 | 27% | 0.273 | 11% | 0.107 | S | C | . | . | trans | 55.8 | 37.7 | -173.8 | -52.5 | -42.7 | 0 | 0 | 0 | 113.1 | E191 I192 F254 E255 | E191-H195 VanDerWaalsContact O-CA 3.31Å; E191-H195 WeakPolarHBondContact O-CA 3.44Å; E191-H195 PolarHBondContact O-N 3.32Å; E191-H195 PolarHBondContact O-ND1 3.42Å; I192-H195 PolarHBondContact O-CE1 3.4Å; H195-F254 HydrophobicContact CB-CB 4.42Å; H195-F254 WeakPolarHBondContact O-CB 3.34Å; H195-F254 PolarHBondContact O-N 2.9Å; H195-E255 HydrophobicContact CB-CG 4.12Å; H195-E255 VanDerWaalsContact CD2-CD 3.5Å; H195-E255 IonicContact CD2-OE1 2.68Å; H195-E255 IonicContact CD2-OE2 3.49Å; H195-E255 IonicContact NE2-OE1 3.77Å | ||
| 196 | T | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 9% | 0.092 | 12% | 0.118 | C | C | . | . | trans | -96.8 | 17.6 | 178 | 61 | 0 | 0 | 0 | 0 | 114.1 | P83 S194 L198 Y199 | P83-T196 HydrophobicContact CB-CG2 3.81Å; P83-T196 HydrophobicContact CG-CG2 4.02Å; S194-T196 VanDerWaalsContact C-N 3.25Å; S194-T196 PolarHBondContact O-N 3.19Å; S194-T196 PolarHBondContact OG-N 3.17Å; S194-T196 PolarHBondContact OG-OG1 3.45Å; T196-L198 PolarHBondContact O-N 2.71Å; T196-Y199 HydrophobicContact CG2-CD2 4.49Å; T196-Y199 WeakPolarHBondContact O-CB 3.41Å; T196-Y199 WeakPolarHBondContact O-CD2 3.33Å; T196-Y199 PolarHBondContact O-N 3.11Å | ||
| 197 | D | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -52.5 | -27.7 | -172.1 | -48.4 | -104.7 | 0 | 0 | 0 | 114.3 | G188 E191 Y199 D200 F201 F254 | G188-D197 VanDerWaalsContact C-OD1 3.27Å; G188-D197 WeakPolarHBondContact CA-OD1 3.42Å; E191-D197 PolarHBondContact N-OD1 2.82Å; E191-D197 VanDerWaalsContact N-OD1 3.07Å; D197-Y199 PolarHBondContact O-N 3.18Å; D197-D200 PolarHBondContact O-N 2.64Å; D197-F201 HydrophobicContact CB-CE1 3.84Å; D197-F201 HydrophobicContact CB-CE2 4.31Å; D197-F201 HydrophobicContact CB-CZ 3.68Å; D197-F201 WeakPolarHBondContact O-CD1 3.29Å; D197-F201 VanDerWaalsContact O-CG 3.22Å; D197-F201 WeakPolarHBondContact O-CG 3.48Å; D197-F201 PolarHBondContact O-N 3.06Å; D197-F254 HydrophobicContact CB-CB 4.1Å; D197-F254 HydrophobicContact CB-CD1 4.12Å; D197-F254 HydrophobicContact CB-CD2 4.12Å; D197-F254 HydrophobicContact CB-CG 3.84Å; D197-F254 VanDerWaalsContact OD2-CB 3.23Å; D197-F254 WeakPolarHBondContact OD2-CB 3.5Å; D197-F254 WeakPolarHBondContact OD2-CD1 3.49Å; D197-F254 WeakPolarHBondContact OD2-CG 3.41Å |
| 198 | L | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.8 | -27.3 | 176.6 | -68.6 | -178.6 | 0 | 0 | 0 | 113.8 | T196 F201 K202 L241 Y244 Y251 E252 F254 V257 | T196-L198 PolarHBondContact O-N 2.71Å; L198-F201 HydrophobicContact CD2-CD2 4.05Å; L198-F201 HydrophobicContact CD2-CE2 4.43Å; L198-K202 WeakPolarHBondContact O-CB 3.45Å; L198-K202 PolarHBondContact O-N 3.17Å; L198-K202 VanDerWaalsContact O-N 3.1Å; L198-L241 HydrophobicContact CD2-CD2 4.03Å; L198-Y244 VanDerWaalsContact CD1-CB 3.4Å; L198-Y244 HydrophobicContact CD1-CD1 4.37Å; L198-Y244 HydrophobicContact CD1-CD2 4.48Å; L198-Y244 HydrophobicContact CD1-CG 3.87Å; L198-Y251 HydrophobicContact CB-CD1 4.13Å; L198-Y251 HydrophobicContact CB-CG 3.88Å; L198-E252 WeakPolarHBondContact CD1-O 3.42Å; L198-F254 HydrophobicContact CD2-CD2 4.02Å; L198-F254 HydrophobicContact CD2-CE2 4.35Å; L198-F254 HydrophobicContact CG-CD2 4.02Å; L198-V257 HydrophobicContact CD1-CG2 3.9Å; L198-V257 HydrophobicContact CD2-CG2 4.1Å; L198-V257 HydrophobicContact CG-CG2 4.25Å |
| 199 | Y | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 19.2 Ų | 19.2 | 8% | 0.082 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.1 | -46.1 | 173.7 | -73.4 | -105.2 | 0 | 0 | 0 | 110 | P83 K84 M87 T196 D197 K202 A203 G250 Y251 | P83-Y199 HydrophobicContact CB-CD1 3.85Å; P83-Y199 HydrophobicContact CB-CD2 3.94Å; P83-Y199 HydrophobicContact CB-CE1 4.18Å; P83-Y199 HydrophobicContact CB-CE2 4.24Å; P83-Y199 HydrophobicContact CB-CG 3.73Å; P83-Y199 HydrophobicContact CG-CD1 4.4Å; P83-Y199 HydrophobicContact CG-CE1 4.23Å; P83-Y199 HydrophobicContact CG-CE2 4.4Å; K84-Y199 HydrophobicContact CG-CE1 4.08Å; M87-Y199 HydrophobicContact CG-CD1 4.07Å; M87-Y199 HydrophobicContact SD-CD1 3.65Å; M87-Y199 HydrophobicContact SD-CG 4.42Å; T196-Y199 HydrophobicContact CG2-CD2 4.49Å; T196-Y199 WeakPolarHBondContact O-CB 3.41Å; T196-Y199 WeakPolarHBondContact O-CD2 3.33Å; T196-Y199 PolarHBondContact O-N 3.11Å; D197-Y199 PolarHBondContact O-N 3.18Å; Y199-K202 PolarHBondContact O-N 3.26Å; Y199-A203 WeakPolarHBondContact O-CB 3.5Å; Y199-A203 PolarHBondContact O-N 3.34Å; Y199-G250 VanDerWaalsContact OH-CA 3.3Å; Y199-G250 WeakPolarHBondContact OH-CA 3.49Å; Y199-Y251 HydrophobicContact CD1-CD2 4.05Å; Y199-Y251 AromaticContact CD2-CD2 3.99Å; Y199-Y251 HydrophobicContact CD2-CD2 3.99Å; Y199-Y251 HydrophobicContact CD2-CG 4.42Å; Y199-Y251 HydrophobicContact CE1-CD2 4.2Å; Y199-Y251 HydrophobicContact CE2-CD2 4.16Å; Y199-Y251 HydrophobicContact CE2-CG 4.44Å; Y199-Y251 AromaticContact CG-CD2 3.94Å; Y199-Y251 HydrophobicContact CG-CD2 3.94Å; Y199-Y251 VanDerWaalsContact CZ-N 3.31Å; Y199-Y251 PolarHBondContact OH-N 2.83Å; Y199-Y251 VanDerWaalsContact OH-N 3.1Å |
| 200 | D | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.6 | -48.4 | 179.6 | -45.8 | -42.8 | 0 | 0 | 0 | 109.7 | R86 E90 E191 D197 K202 A203 N204 | R86-D200 IonicContact NE-OD1 3.07Å; E90-D200 HydrophobicContact CG-CB 4.16Å; E191-D200 WeakPolarHBondContact CG-OD2 3.48Å; D197-D200 PolarHBondContact O-N 2.64Å; D200-K202 VanDerWaalsContact C-N 3.26Å; D200-K202 PolarHBondContact O-N 3.46Å; D200-A203 CarbonylContact O-C 3.59Å; D200-A203 PolarHBondContact O-N 3.37Å; D200-N204 WeakPolarHBondContact O-CB 3.43Å; D200-N204 PolarHBondContact O-N 3.47Å; D200-N204 PolarHBondContact O-ND2 3.17Å; D200-N204 PolarHBondContact O-OD1 2.8Å |
| 201 | F | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.3 | -42.2 | 177.6 | -62.4 | -1.9 | 0 | 0 | 0 | 111.9 | V181 K185 I186 D197 L198 V205 L241 F254 F265 | V181-F201 HydrophobicContact CG1-CD1 4.23Å; V181-F201 HydrophobicContact CG1-CG 4.29Å; K185-F201 HydrophobicContact CB-CD1 4.38Å; K185-F201 HydrophobicContact CB-CE1 3.61Å; K185-F201 HydrophobicContact CB-CZ 4.37Å; K185-F201 VanDerWaalsContact O-CZ 3.27Å; K185-F201 WeakPolarHBondContact O-CZ 3.26Å; I186-F201 HydrophobicContact CD1-CE2 3.81Å; I186-F201 HydrophobicContact CD1-CZ 4.36Å; D197-F201 HydrophobicContact CB-CE1 3.84Å; D197-F201 HydrophobicContact CB-CE2 4.31Å; D197-F201 HydrophobicContact CB-CZ 3.68Å; D197-F201 WeakPolarHBondContact O-CD1 3.29Å; D197-F201 VanDerWaalsContact O-CG 3.22Å; D197-F201 WeakPolarHBondContact O-CG 3.48Å; D197-F201 PolarHBondContact O-N 3.06Å; L198-F201 HydrophobicContact CD2-CD2 4.05Å; L198-F201 HydrophobicContact CD2-CE2 4.43Å; F201-V205 WeakPolarHBondContact O-CB 3.35Å; F201-V205 WeakPolarHBondContact O-CG2 3.31Å; F201-V205 PolarHBondContact O-N 3.11Å; F201-L241 HydrophobicContact CB-CD2 3.94Å; F201-L241 HydrophobicContact CD2-CD2 4.44Å; F201-F254 HydrophobicContact CE2-CD2 4.24Å; F201-F254 AromaticContact CE2-CE2 3.59Å; F201-F254 HydrophobicContact CE2-CE2 3.59Å; F201-F254 HydrophobicContact CE2-CZ 4.02Å; F201-F254 HydrophobicContact CZ-CE2 4.1Å; F201-F254 HydrophobicContact CZ-CZ 4.16Å; F201-F265 HydrophobicContact CB-CE1 4.42Å; F201-F265 HydrophobicContact CB-CZ 4.05Å; F201-F265 HydrophobicContact CD2-CD1 4.39Å; F201-F265 AromaticContact CD2-CE1 3.68Å; F201-F265 HydrophobicContact CD2-CE1 3.68Å; F201-F265 HydrophobicContact CD2-CZ 4.02Å; F201-F265 HydrophobicContact CE2-CE1 4.24Å; F201-F265 HydrophobicContact CG-CE1 4.16Å; F201-F265 HydrophobicContact CG-CZ 4.28Å |
| 202 | K | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 19.4 Ų | 19.4 | 7% | 0.065 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 176.7 | 179.3 | 71.9 | -179.5 | 103.1 | 0 | 111.1 | M87 L198 Y199 D200 V205 E206 N238 L241 Y251 | M87-K202 HydrophobicContact CE-CB 3.98Å; M87-K202 HydrophobicContact CE-CG 3.88Å; L198-K202 WeakPolarHBondContact O-CB 3.45Å; L198-K202 PolarHBondContact O-N 3.17Å; L198-K202 VanDerWaalsContact O-N 3.1Å; Y199-K202 PolarHBondContact O-N 3.26Å; D200-K202 VanDerWaalsContact C-N 3.26Å; D200-K202 PolarHBondContact O-N 3.46Å; K202-V205 PolarHBondContact O-N 2.94Å; K202-E206 WeakPolarHBondContact CE-OE1 3.09Å; K202-E206 HydrophobicContact CG-CG 4.44Å; K202-E206 VanDerWaalsContact NZ-CD 3.32Å; K202-E206 IonicContact NZ-OE1 3.95Å; K202-E206 PolarHBondContact NZ-OE1 3.29Å; K202-E206 WeakPolarHBondContact O-CB 3.25Å; K202-E206 VanDerWaalsContact O-CG 3.26Å; K202-E206 WeakPolarHBondContact O-CG 3.4Å; K202-E206 PolarHBondContact O-N 2.89Å; K202-N238 PolarHBondContact NZ-OD1 2.92Å; K202-L241 HydrophobicContact CB-CD1 4.32Å; K202-L241 HydrophobicContact CD-CD1 4Å; K202-Y251 HydrophobicContact CB-CE2 3.95Å; K202-Y251 WeakPolarHBondContact CD-OH 3.13Å; K202-Y251 HydrophobicContact CG-CE2 4.13Å; K202-Y251 WeakPolarHBondContact CG-OH 3.26Å |
| 203 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M87 E90 R91 Y199 D200 V205 E206 G207 | M87-A203 HydrophobicContact CB-CB 4Å; M87-A203 HydrophobicContact CE-CB 4.2Å; M87-A203 HydrophobicContact CG-CB 4.2Å; M87-A203 WeakPolarHBondContact O-CB 3.35Å; E90-A203 HydrophobicContact CB-CB 3.34Å; E90-A203 HydrophobicContact CG-CB 4.36Å; R91-A203 HydrophobicContact CG-CB 3.9Å; R91-A203 WeakPolarHBondContact CG-O 3.47Å; Y199-A203 WeakPolarHBondContact O-CB 3.5Å; Y199-A203 PolarHBondContact O-N 3.34Å; D200-A203 CarbonylContact O-C 3.59Å; D200-A203 PolarHBondContact O-N 3.37Å; A203-V205 PolarHBondContact O-N 3.47Å; A203-E206 WeakPolarHBondContact O-CB 3.22Å; A203-E206 PolarHBondContact O-N 3.44Å; A203-E206 VanDerWaalsContact O-N 3.16Å; A203-G207 PolarHBondContact O-N 2.82Å |
| 204 | N | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.6 | -59.1 | 157.6 | 0 | 0 | 0 | 111.4 | E90 E93 L177 V181 D200 E206 G207 A208 | E90-N204 PolarHBondContact O-ND2 3.05Å; E90-N204 PolarHBondContact OE2-ND2 3.38Å; E93-N204 PolarHBondContact OE2-ND2 2.91Å; L177-N204 HydrophobicContact CD1-CB 4.23Å; L177-N204 HydrophobicContact CD2-CB 3.69Å; L177-N204 HydrophobicContact CG-CB 3.93Å; V181-N204 HydrophobicContact CG2-CB 4.06Å; V181-N204 WeakPolarHBondContact CG2-OD1 3.2Å; D200-N204 WeakPolarHBondContact O-CB 3.43Å; D200-N204 PolarHBondContact O-N 3.47Å; D200-N204 PolarHBondContact O-ND2 3.17Å; D200-N204 PolarHBondContact O-OD1 2.8Å; N204-E206 VanDerWaalsContact C-N 3.32Å; N204-E206 PolarHBondContact O-N 3.46Å; N204-G207 PolarHBondContact O-N 3.24Å; N204-A208 PolarHBondContact O-N 3.42Å |
| 205 | V | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L178 F201 K202 A203 Q209 F234 V237 L241 | L178-V205 HydrophobicContact CD2-CG2 4.02Å; F201-V205 WeakPolarHBondContact O-CB 3.35Å; F201-V205 WeakPolarHBondContact O-CG2 3.31Å; F201-V205 PolarHBondContact O-N 3.11Å; K202-V205 PolarHBondContact O-N 2.94Å; A203-V205 PolarHBondContact O-N 3.47Å; V205-Q209 WeakPolarHBondContact O-CB 3.36Å; V205-Q209 PolarHBondContact O-N 3.3Å; V205-F234 HydrophobicContact CG1-CD1 4.12Å; V205-F234 HydrophobicContact CG1-CE1 4.39Å; V205-V237 HydrophobicContact CG1-CG1 4.07Å; V205-V237 HydrophobicContact CG2-CG1 3.65Å; V205-L241 HydrophobicContact CG2-CD1 4.26Å |
| 206 | E | 98.7 | Very high | 98.5 | Very high | 51 Ų | 51 | 17.3 Ų | 17.3 | 24% | 0.238 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.9 | -75.6 | 173.5 | 164.1 | 0 | 0 | 112.4 | R91 K202 A203 N204 Q209 K210 | R91-E206 HydrophobicContact CG-CB 4.02Å; R91-E206 IonicContact CZ-OE2 2.82Å; R91-E206 IonicContact NE-OE2 3.7Å; R91-E206 PolarHBondContact NE-OE2 3.25Å; R91-E206 IonicContact NH2-OE2 2.68Å; R91-E206 PolarHBondContact NH2-OE2 3.03Å; K202-E206 WeakPolarHBondContact CE-OE1 3.09Å; K202-E206 HydrophobicContact CG-CG 4.44Å; K202-E206 VanDerWaalsContact NZ-CD 3.32Å; K202-E206 IonicContact NZ-OE1 3.95Å; K202-E206 PolarHBondContact NZ-OE1 3.29Å; K202-E206 WeakPolarHBondContact O-CB 3.25Å; K202-E206 VanDerWaalsContact O-CG 3.26Å; K202-E206 WeakPolarHBondContact O-CG 3.4Å; K202-E206 PolarHBondContact O-N 2.89Å; A203-E206 WeakPolarHBondContact O-CB 3.22Å; A203-E206 PolarHBondContact O-N 3.44Å; A203-E206 VanDerWaalsContact O-N 3.16Å; N204-E206 VanDerWaalsContact C-N 3.32Å; N204-E206 PolarHBondContact O-N 3.46Å; E206-Q209 PolarHBondContact O-N 2.94Å; E206-K210 WeakPolarHBondContact O-CB 3.4Å; E206-K210 PolarHBondContact O-N 2.85Å |
| 207 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.8 | -50.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R91 A203 N204 K210 I211 | R91-G207 VanDerWaalsContact O-CA 3.25Å; R91-G207 WeakPolarHBondContact O-CA 3.49Å; A203-G207 PolarHBondContact O-N 2.82Å; N204-G207 PolarHBondContact O-N 3.24Å; G207-K210 WeakPolarHBondContact O-CB 3.5Å; G207-K210 PolarHBondContact O-N 3.35Å; G207-I211 PolarHBondContact O-N 2.96Å |
| 208 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L178 N204 K210 I211 Y212 F234 | L178-A208 HydrophobicContact CD1-CB 3.96Å; L178-A208 HydrophobicContact CD2-CB 4.33Å; L178-A208 HydrophobicContact CG-CB 4.09Å; N204-A208 PolarHBondContact O-N 3.42Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.47Å; A208-I211 WeakPolarHBondContact O-CB 3.25Å; A208-I211 PolarHBondContact O-N 2.97Å; A208-Y212 PolarHBondContact O-N 2.89Å; A208-Y212 VanDerWaalsContact O-N 3.11Å; A208-F234 HydrophobicContact CB-CE1 4.3Å; A208-F234 HydrophobicContact CB-CZ 4.27Å |
| 209 | Q | 98.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 20 Ų | 20 | 15% | 0.145 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.7 | -37.3 | 178 | -171.4 | 167.7 | -1.1 | 0 | 0 | 111.8 | V205 E206 I211 Y212 D213 F234 N238 | V205-Q209 WeakPolarHBondContact O-CB 3.36Å; V205-Q209 PolarHBondContact O-N 3.3Å; E206-Q209 PolarHBondContact O-N 2.94Å; Q209-I211 VanDerWaalsContact C-N 3.28Å; Q209-I211 PolarHBondContact O-N 2.71Å; Q209-Y212 WeakPolarHBondContact O-CB 3.4Å; Q209-Y212 PolarHBondContact O-N 3.27Å; Q209-D213 PolarHBondContact O-N 2.9Å; Q209-F234 VanDerWaalsContact CA-CZ 3.47Å; Q209-F234 HydrophobicContact CB-CD1 3.69Å; Q209-F234 HydrophobicContact CB-CE1 3.53Å; Q209-F234 HydrophobicContact CB-CE2 4.41Å; Q209-F234 HydrophobicContact CB-CG 4.22Å; Q209-F234 HydrophobicContact CB-CZ 3.94Å; Q209-F234 HydrophobicContact CG-CB 4.43Å; Q209-F234 HydrophobicContact CG-CD1 3.91Å; Q209-F234 HydrophobicContact CG-CD2 4.19Å; Q209-F234 HydrophobicContact CG-CE1 4.17Å; Q209-F234 HydrophobicContact CG-CE2 4.43Å; Q209-F234 HydrophobicContact CG-CG 3.94Å; Q209-F234 HydrophobicContact CG-CZ 4.44Å; Q209-N238 PolarHBondContact OE1-ND2 3.5Å |
| 210 | K | 98.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 22.8 Ų | 22.8 | 29% | 0.291 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 175.3 | 178.8 | 58.6 | 177 | 177.5 | 0 | 111.8 | Y48 Y51 E206 G207 A208 D213 L214 | Y48-K210 HydrophobicContact CD2-CG 4.24Å; Y48-K210 HydrophobicContact CE2-CG 4.24Å; Y51-K210 HydrophobicContact CD1-CG 3.86Å; Y51-K210 HydrophobicContact CD2-CD 4.21Å; Y51-K210 HydrophobicContact CD2-CG 3.98Å; Y51-K210 HydrophobicContact CE1-CB 4.24Å; Y51-K210 HydrophobicContact CE1-CG 3.88Å; Y51-K210 HydrophobicContact CE2-CD 4.33Å; Y51-K210 HydrophobicContact CE2-CG 3.98Å; Y51-K210 HydrophobicContact CG-CD 4.46Å; Y51-K210 HydrophobicContact CG-CG 3.89Å; E206-K210 WeakPolarHBondContact O-CB 3.4Å; E206-K210 PolarHBondContact O-N 2.85Å; G207-K210 WeakPolarHBondContact O-CB 3.5Å; G207-K210 PolarHBondContact O-N 3.35Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.47Å; K210-D213 PolarHBondContact O-N 3.16Å; K210-L214 HydrophobicContact CD-CG 4.5Å; K210-L214 HydrophobicContact CG-CD1 4.45Å; K210-L214 VanDerWaalsContact O-CG 3.3Å; K210-L214 WeakPolarHBondContact O-CG 3.39Å; K210-L214 PolarHBondContact O-N 2.93Å; K210-L214 VanDerWaalsContact O-N 3.13Å |
| 211 | I | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 175.6 | -71.3 | 167.9 | 0 | 0 | 0 | 110.4 | Y48 P94 M170 L171 S174 G207 A208 Q209 D213 L214 F215 | Y48-I211 HydrophobicContact CD2-CG1 3.69Å; Y48-I211 HydrophobicContact CE1-CD1 4.15Å; Y48-I211 HydrophobicContact CE1-CG1 4.3Å; Y48-I211 HydrophobicContact CE2-CD1 3.79Å; Y48-I211 HydrophobicContact CE2-CG1 3.29Å; Y48-I211 HydrophobicContact CG-CG1 4.35Å; P94-I211 HydrophobicContact CB-CD1 3.52Å; P94-I211 HydrophobicContact CG-CD1 4.13Å; M170-I211 HydrophobicContact CB-CD1 3.94Å; M170-I211 HydrophobicContact CB-CG1 4.23Å; M170-I211 HydrophobicContact CB-CG2 3.9Å; M170-I211 HydrophobicContact CE-CG1 4.06Å; M170-I211 HydrophobicContact CE-CG2 4.15Å; M170-I211 HydrophobicContact CG-CD1 4.46Å; M170-I211 WeakPolarHBondContact O-CD1 3.42Å; L171-I211 HydrophobicContact CD2-CG2 4.38Å; S174-I211 WeakPolarHBondContact OG-CD1 3.13Å; G207-I211 PolarHBondContact O-N 2.96Å; A208-I211 WeakPolarHBondContact O-CB 3.25Å; A208-I211 PolarHBondContact O-N 2.97Å; Q209-I211 VanDerWaalsContact C-N 3.28Å; Q209-I211 PolarHBondContact O-N 2.71Å; I211-D213 PolarHBondContact O-N 3.01Å; I211-L214 PolarHBondContact O-N 2.82Å; I211-F215 HydrophobicContact CG2-CD2 3.75Å; I211-F215 HydrophobicContact CG2-CE2 3.65Å; I211-F215 WeakPolarHBondContact O-CD2 3.32Å; I211-F215 PolarHBondContact O-N 2.87Å; I211-F215 VanDerWaalsContact O-N 3.16Å |
| 212 | Y | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.4 | -49.5 | 173.9 | 162.6 | -106.6 | 0 | 0 | 0 | 111.9 | A208 Q209 L214 F215 K216 L219 S227 I230 Q231 F234 M279 | A208-Y212 PolarHBondContact O-N 2.89Å; A208-Y212 VanDerWaalsContact O-N 3.11Å; Q209-Y212 WeakPolarHBondContact O-CB 3.4Å; Q209-Y212 PolarHBondContact O-N 3.27Å; Y212-L214 PolarHBondContact O-N 3.28Å; Y212-F215 CarbonylContact O-C 3.53Å; Y212-F215 PolarHBondContact O-N 3.4Å; Y212-K216 HydrophobicContact CE1-CD 4.12Å; Y212-K216 HydrophobicContact CE2-CB 4.32Å; Y212-K216 HydrophobicContact CE2-CG 4.47Å; Y212-K216 WeakPolarHBondContact O-CB 3.45Å; Y212-K216 PolarHBondContact O-N 2.84Å; Y212-L219 HydrophobicContact CE2-CD2 4.09Å; Y212-S227 PolarHBondContact OH-O 2.98Å; Y212-S227 PolarHBondContact OH-OG 2.82Å; Y212-I230 HydrophobicContact CD1-CG2 4.17Å; Y212-I230 HydrophobicContact CD2-CB 4.19Å; Y212-I230 HydrophobicContact CD2-CD1 4.3Å; Y212-I230 HydrophobicContact CD2-CG2 3.43Å; Y212-I230 VanDerWaalsContact CD2-CG2 3.43Å; Y212-I230 HydrophobicContact CE1-CG2 4.27Å; Y212-I230 HydrophobicContact CE2-CB 3.86Å; Y212-I230 HydrophobicContact CE2-CD1 4.27Å; Y212-I230 HydrophobicContact CE2-CG2 3.56Å; Y212-I230 HydrophobicContact CG-CG2 3.76Å; Y212-Q231 HydrophobicContact CE1-CB 4.37Å; Y212-F234 HydrophobicContact CD1-CD2 4.01Å; Y212-F234 HydrophobicContact CD1-CE2 4Å; Y212-F234 HydrophobicContact CG-CD2 4.32Å; Y212-F234 AromaticContact CG-CE2 3.89Å; Y212-F234 HydrophobicContact CG-CE2 3.89Å; Y212-M279 HydrophobicContact CD2-CE 4Å; Y212-M279 HydrophobicContact CD2-SD 3.83Å |
| 213 | D | 98.5 | Very high | 97.3 | Very high | 72 Ų | 72 | 35.5 Ų | 35.5 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.9 | -36.1 | -178.7 | -73.4 | -21.5 | 0 | 0 | 0 | 112.5 | Q209 K210 I211 | Q209-D213 PolarHBondContact O-N 2.9Å; K210-D213 PolarHBondContact O-N 3.16Å; I211-D213 PolarHBondContact O-N 3.01Å |
| 214 | L | 98.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.2 | -35.3 | 177 | -70.9 | 172.9 | 0 | 0 | 0 | 112.6 | A44 A47 Y48 K210 I211 Y212 | A44-L214 HydrophobicContact CB-CB 4.25Å; A47-L214 HydrophobicContact CB-CD1 4.48Å; A47-L214 HydrophobicContact CB-CD2 3.68Å; Y48-L214 HydrophobicContact CD2-CD1 3.75Å; Y48-L214 HydrophobicContact CG-CD1 4.13Å; K210-L214 HydrophobicContact CD-CG 4.5Å; K210-L214 HydrophobicContact CG-CD1 4.45Å; K210-L214 VanDerWaalsContact O-CG 3.3Å; K210-L214 WeakPolarHBondContact O-CG 3.39Å; K210-L214 PolarHBondContact O-N 2.93Å; K210-L214 VanDerWaalsContact O-N 3.13Å; I211-L214 PolarHBondContact O-N 2.82Å; Y212-L214 PolarHBondContact O-N 3.28Å |
| 215 | F | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -89.3 | -14.9 | 178.2 | -69.5 | -44.5 | 0 | 0 | 0 | 114.1 | L41 A44 P167 M170 L171 I211 Y212 P217 I218 L219 M279 I282 | L41-F215 HydrophobicContact CD2-CD1 3.9Å; L41-F215 HydrophobicContact CD2-CE1 3.67Å; A44-F215 HydrophobicContact CB-CD1 3.74Å; A44-F215 HydrophobicContact CB-CE1 3.62Å; P167-F215 HydrophobicContact CB-CE1 4.3Å; P167-F215 HydrophobicContact CB-CZ 3.87Å; M170-F215 HydrophobicContact CB-CE2 4.18Å; M170-F215 HydrophobicContact CE-CE1 4.47Å; M170-F215 HydrophobicContact CE-CE2 3.73Å; M170-F215 HydrophobicContact CE-CZ 3.59Å; M170-F215 HydrophobicContact SD-CE2 4.38Å; M170-F215 HydrophobicContact SD-CZ 3.91Å; L171-F215 HydrophobicContact CD2-CD2 3.68Å; L171-F215 HydrophobicContact CD2-CE2 3.8Å; L171-F215 HydrophobicContact CG-CD2 4.27Å; L171-F215 HydrophobicContact CG-CE2 3.91Å; I211-F215 HydrophobicContact CG2-CD2 3.75Å; I211-F215 HydrophobicContact CG2-CE2 3.65Å; I211-F215 WeakPolarHBondContact O-CD2 3.32Å; I211-F215 PolarHBondContact O-N 2.87Å; I211-F215 VanDerWaalsContact O-N 3.16Å; Y212-F215 CarbonylContact O-C 3.53Å; Y212-F215 PolarHBondContact O-N 3.4Å; F215-P217 VanDerWaalsContact C-CD 3.48Å; F215-I218 HydrophobicContact CD1-CD1 4.26Å; F215-I218 WeakPolarHBondContact O-CA 3.29Å; F215-I218 WeakPolarHBondContact O-CB 3.43Å; F215-I218 PolarHBondContact O-N 3.14Å; F215-L219 PolarHBondContact O-N 3.21Å; F215-M279 HydrophobicContact CB-CE 3.48Å; F215-M279 VanDerWaalsContact CB-CE 3.48Å; F215-M279 HydrophobicContact CD2-CE 4.12Å; F215-M279 HydrophobicContact CG-CE 4.26Å; F215-I282 HydrophobicContact CB-CD1 3.64Å; F215-I282 HydrophobicContact CD1-CD1 3.58Å; F215-I282 HydrophobicContact CD2-CD1 3.84Å; F215-I282 HydrophobicContact CE1-CD1 4.17Å; F215-I282 HydrophobicContact CE2-CD1 4.37Å; F215-I282 HydrophobicContact CG-CD1 3.41Å; F215-I282 VanDerWaalsContact CG-CD1 3.41Å |
| 216 | K | 97.1 | Very high | 97.1 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 23% | 0.226 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -49.3 | -45.8 | -178.3 | 179.5 | 176 | -173.6 | 173.2 | 0 | 113.7 | Y212 I218 L219 E220 Q231 | Y212-K216 HydrophobicContact CE1-CD 4.12Å; Y212-K216 HydrophobicContact CE2-CB 4.32Å; Y212-K216 HydrophobicContact CE2-CG 4.47Å; Y212-K216 WeakPolarHBondContact O-CB 3.45Å; Y212-K216 PolarHBondContact O-N 2.84Å; K216-I218 PolarHBondContact O-N 2.89Å; K216-L219 PolarHBondContact O-N 2.95Å; K216-E220 WeakPolarHBondContact CE-OE1 3.21Å; K216-E220 HydrophobicContact CG-CG 4.14Å; K216-E220 WeakPolarHBondContact O-CG 3.44Å; K216-E220 PolarHBondContact O-N 3.29Å; K216-Q231 VanDerWaalsContact NZ-OE1 3.08Å |
| 217 | P | 96.5 | Very high | 97 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.4 | -29.2 | 178.3 | -23.3 | 35.1 | 0 | 0 | 0 | 114.1 | F215 K221 | F215-P217 VanDerWaalsContact C-CD 3.48Å; P217-K221 WeakPolarHBondContact O-CE 3.3Å; P217-K221 WeakPolarHBondContact O-CG 3.32Å |
| 218 | I | 95.3 | Very high | 97 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.4 | -44.5 | 176.6 | -53.7 | 172.9 | 0 | 0 | 0 | 109.2 | V37 E40 L41 F215 K216 K221 I282 | V37-I218 HydrophobicContact CG1-CG2 4.25Å; E40-I218 HydrophobicContact CB-CD1 3.58Å; E40-I218 HydrophobicContact CB-CG1 3.76Å; L41-I218 HydrophobicContact CD2-CD1 3.7Å; L41-I218 HydrophobicContact CG-CD1 4.04Å; F215-I218 HydrophobicContact CD1-CD1 4.26Å; F215-I218 WeakPolarHBondContact O-CA 3.29Å; F215-I218 WeakPolarHBondContact O-CB 3.43Å; F215-I218 PolarHBondContact O-N 3.14Å; K216-I218 PolarHBondContact O-N 2.89Å; I218-K221 PolarHBondContact O-N 3.49Å; I218-I282 HydrophobicContact CG2-CB 3.98Å; I218-I282 HydrophobicContact CG2-CG2 4.25Å |
| 219 | L | 96.1 | Very high | 97 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 179.4 | -176.7 | 63.6 | 0 | 0 | 0 | 111.6 | Y212 F215 K216 K221 K222 D223 L226 I230 M279 V281 I282 | Y212-L219 HydrophobicContact CE2-CD2 4.09Å; F215-L219 PolarHBondContact O-N 3.21Å; K216-L219 PolarHBondContact O-N 2.95Å; L219-K221 PolarHBondContact O-N 3.45Å; L219-K222 CarbonylContact O-C 3.58Å; L219-K222 PolarHBondContact O-N 3.37Å; L219-D223 CarbonylContact O-C 3.52Å; L219-D223 PolarHBondContact O-N 3.3Å; L219-L226 HydrophobicContact CD1-CD2 4.01Å; L219-L226 HydrophobicContact CD1-CG 4.38Å; L219-L226 HydrophobicContact CD2-CG 4.49Å; L219-I230 HydrophobicContact CD2-CD1 3.82Å; L219-M279 HydrophobicContact CD2-CE 4.27Å; L219-M279 HydrophobicContact CD2-CG 4.13Å; L219-V281 HydrophobicContact CD1-CG1 4.11Å; L219-I282 HydrophobicContact CB-CG2 4.02Å; L219-I282 HydrophobicContact CD1-CG2 3.89Å |
| 220 | E | 96 | Very high | 96.9 | Very high | 79 Ų | 79 | 49.6 Ų | 49.6 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -27.5 | -178.4 | -74.4 | -176.6 | 161 | 0 | 0 | 113.4 | K216 K222 S227 | K216-E220 WeakPolarHBondContact CE-OE1 3.21Å; K216-E220 HydrophobicContact CG-CG 4.14Å; K216-E220 WeakPolarHBondContact O-CG 3.44Å; K216-E220 PolarHBondContact O-N 3.29Å; E220-K222 VanDerWaalsContact C-N 3.32Å; E220-S227 WeakPolarHBondContact CG-OG 3.32Å |
| 221 | K | 94 | Very high | 96.9 | Very high | 138 Ų | 138 | 48.3 Ų | 48.3 | 60% | 0.6 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73.2 | -24.5 | 173.8 | -65 | 173.4 | -165.2 | 178.4 | 0 | 113 | E40 P217 I218 L219 | E40-K221 IonicContact OE1-NZ 3.05Å; E40-K221 PolarHBondContact OE1-NZ 3.14Å; E40-K221 IonicContact OE2-NZ 3.41Å; E40-K221 PolarHBondContact OE2-NZ 2.85Å; P217-K221 WeakPolarHBondContact O-CE 3.3Å; P217-K221 WeakPolarHBondContact O-CG 3.32Å; I218-K221 PolarHBondContact O-N 3.49Å; L219-K221 PolarHBondContact O-N 3.45Å |
| 222 | K | 93.1 | Very high | 96.9 | Very high | 79 Ų | 79 | 54 Ų | 54 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -98.8 | -49.8 | -176.5 | -76.7 | 170.3 | 167.8 | -93.8 | 0 | 111.5 | L219 E220 V281 I282 E284 | L219-K222 CarbonylContact O-C 3.58Å; L219-K222 PolarHBondContact O-N 3.37Å; E220-K222 VanDerWaalsContact C-N 3.32Å; K222-V281 PolarHBondContact NZ-O 3.45Å; K222-I282 HydrophobicContact CD-CB 4.47Å; K222-I282 HydrophobicContact CD-CG2 4.37Å; K222-E284 PolarHBondContact NZ-OXT 3.21Å |
| 223 | D | 95.8 | Very high | 96.9 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | trans | -149.4 | 89.5 | -178.5 | -168.4 | -20.3 | 0 | 0 | 0 | 110.7 | L219 K225 L226 S227 | L219-D223 CarbonylContact O-C 3.52Å; L219-D223 PolarHBondContact O-N 3.3Å; D223-K225 VanDerWaalsContact C-N 3.28Å; D223-K225 PolarHBondContact O-N 3.12Å; D223-K225 PolarHBondContact OD1-N 3.39Å; D223-K225 VanDerWaalsContact OD1-N 3.08Å; D223-L226 HydrophobicContact CB-CB 3.88Å; D223-L226 PolarHBondContact O-N 3.15Å; D223-L226 PolarHBondContact OD1-N 3.04Å; D223-L226 WeakPolarHBondContact OD2-CB 3.49Å; D223-S227 PolarHBondContact O-N 3.32Å | ||
| 224 | K | 96.5 | Very high | 96.9 | Very high | 112 Ų | 112 | 52 Ų | 52 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 176 | 176 | 163.9 | 174.7 | 43.6 | 0 | 112.6 | S227 D228 | K224-S227 WeakPolarHBondContact O-CB 3.45Å; K224-S227 PolarHBondContact O-N 2.98Å; K224-D228 VanDerWaalsContact NZ-CG 3.34Å; K224-D228 IonicContact NZ-OD1 2.67Å; K224-D228 PolarHBondContact NZ-OD1 3.47Å; K224-D228 IonicContact NZ-OD2 2.55Å; K224-D228 PolarHBondContact NZ-OD2 3.16Å; K224-D228 VanDerWaalsContact O-CG 3.3Å; K224-D228 PolarHBondContact O-N 3.2Å |
| 225 | K | 97.2 | Very high | 96.9 | Very high | 133 Ų | 133 | 53.6 Ų | 53.6 | 58% | 0.578 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | -177.9 | 173.3 | 166.1 | 171.1 | 37 | 0 | 110.4 | D223 S227 D228 D229 | D223-K225 VanDerWaalsContact C-N 3.28Å; D223-K225 PolarHBondContact O-N 3.12Å; D223-K225 PolarHBondContact OD1-N 3.39Å; D223-K225 VanDerWaalsContact OD1-N 3.08Å; K225-S227 VanDerWaalsContact C-N 3.31Å; K225-S227 PolarHBondContact O-N 3.38Å; K225-D228 PolarHBondContact O-N 3.07Å; K225-D229 IonicContact NZ-OD1 3.01Å; K225-D229 PolarHBondContact NZ-OD1 2.94Å; K225-D229 VanDerWaalsContact NZ-OD1 3.07Å; K225-D229 IonicContact NZ-OD2 3.08Å; K225-D229 PolarHBondContact NZ-OD2 2.98Å; K225-D229 VanDerWaalsContact O-CG 3.28Å; K225-D229 PolarHBondContact O-N 3.39Å |
| 226 | L | 97.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.9 | -179.8 | 57 | 0 | 0 | 0 | 111.4 | L219 D223 D228 D229 I230 P275 K278 | L219-L226 HydrophobicContact CD1-CD2 4.01Å; L219-L226 HydrophobicContact CD1-CG 4.38Å; L219-L226 HydrophobicContact CD2-CG 4.49Å; D223-L226 HydrophobicContact CB-CB 3.88Å; D223-L226 PolarHBondContact O-N 3.15Å; D223-L226 PolarHBondContact OD1-N 3.04Å; D223-L226 WeakPolarHBondContact OD2-CB 3.49Å; L226-D228 PolarHBondContact O-N 3.3Å; L226-D229 PolarHBondContact O-N 2.88Å; L226-I230 HydrophobicContact CD1-CD1 4.19Å; L226-I230 HydrophobicContact CD1-CG1 4.31Å; L226-I230 HydrophobicContact CG-CD1 4.08Å; L226-I230 VanDerWaalsContact O-CG1 3.31Å; L226-I230 WeakPolarHBondContact O-CG1 3.32Å; L226-I230 PolarHBondContact O-N 3.19Å; L226-P275 HydrophobicContact CD1-CB 3.69Å; L226-K278 HydrophobicContact CD1-CB 4.11Å; L226-K278 HydrophobicContact CD1-CD 4.4Å; L226-K278 HydrophobicContact CD2-CB 3.64Å |
| 227 | S | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 175.1 | -162.5 | 0 | 0 | 0 | 0 | 112.5 | Y212 E220 D223 K224 K225 D229 I230 Q231 | Y212-S227 PolarHBondContact OH-O 2.98Å; Y212-S227 PolarHBondContact OH-OG 2.82Å; E220-S227 WeakPolarHBondContact CG-OG 3.32Å; D223-S227 PolarHBondContact O-N 3.32Å; K224-S227 WeakPolarHBondContact O-CB 3.45Å; K224-S227 PolarHBondContact O-N 2.98Å; K225-S227 VanDerWaalsContact C-N 3.31Å; K225-S227 PolarHBondContact O-N 3.38Å; S227-D229 VanDerWaalsContact C-N 3.34Å; S227-D229 PolarHBondContact O-N 3.49Å; S227-I230 PolarHBondContact O-N 2.82Å; S227-Q231 PolarHBondContact O-N 3.34Å |
| 228 | D | 98 | Very high | 97.1 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 178.8 | -66.4 | -24 | 0 | 0 | 0 | 111.2 | K224 K225 L226 M232 | K224-D228 VanDerWaalsContact NZ-CG 3.34Å; K224-D228 IonicContact NZ-OD1 2.67Å; K224-D228 PolarHBondContact NZ-OD1 3.47Å; K224-D228 IonicContact NZ-OD2 2.55Å; K224-D228 PolarHBondContact NZ-OD2 3.16Å; K224-D228 VanDerWaalsContact O-CG 3.3Å; K224-D228 PolarHBondContact O-N 3.2Å; K225-D228 PolarHBondContact O-N 3.07Å; L226-D228 PolarHBondContact O-N 3.3Å; D228-M232 WeakPolarHBondContact O-CB 3.47Å; D228-M232 PolarHBondContact O-N 2.87Å |
| 229 | D | 97.5 | Very high | 97.2 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 177.2 | -68.8 | -20.9 | 0 | 0 | 0 | 111.6 | K225 L226 S227 N233 | K225-D229 IonicContact NZ-OD1 3.01Å; K225-D229 PolarHBondContact NZ-OD1 2.94Å; K225-D229 VanDerWaalsContact NZ-OD1 3.07Å; K225-D229 IonicContact NZ-OD2 3.08Å; K225-D229 PolarHBondContact NZ-OD2 2.98Å; K225-D229 VanDerWaalsContact O-CG 3.28Å; K225-D229 PolarHBondContact O-N 3.39Å; L226-D229 PolarHBondContact O-N 2.88Å; S227-D229 VanDerWaalsContact C-N 3.34Å; S227-D229 PolarHBondContact O-N 3.49Å; D229-N233 PolarHBondContact O-N 3.42Å; D229-N233 PolarHBondContact O-ND2 3.19Å |
| 230 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | 175.7 | -67.3 | 168.5 | 0 | 0 | 0 | 111 | Y212 L219 L226 S227 M232 N233 F234 L272 P275 L276 M279 | Y212-I230 HydrophobicContact CD1-CG2 4.17Å; Y212-I230 HydrophobicContact CD2-CB 4.19Å; Y212-I230 HydrophobicContact CD2-CD1 4.3Å; Y212-I230 HydrophobicContact CD2-CG2 3.43Å; Y212-I230 VanDerWaalsContact CD2-CG2 3.43Å; Y212-I230 HydrophobicContact CE1-CG2 4.27Å; Y212-I230 HydrophobicContact CE2-CB 3.86Å; Y212-I230 HydrophobicContact CE2-CD1 4.27Å; Y212-I230 HydrophobicContact CE2-CG2 3.56Å; Y212-I230 HydrophobicContact CG-CG2 3.76Å; L219-I230 HydrophobicContact CD2-CD1 3.82Å; L226-I230 HydrophobicContact CD1-CD1 4.19Å; L226-I230 HydrophobicContact CD1-CG1 4.31Å; L226-I230 HydrophobicContact CG-CD1 4.08Å; L226-I230 VanDerWaalsContact O-CG1 3.31Å; L226-I230 WeakPolarHBondContact O-CG1 3.32Å; L226-I230 PolarHBondContact O-N 3.19Å; S227-I230 PolarHBondContact O-N 2.82Å; I230-M232 VanDerWaalsContact C-N 3.32Å; I230-M232 PolarHBondContact O-N 3.29Å; I230-N233 PolarHBondContact O-N 3.17Å; I230-N233 VanDerWaalsContact O-N 3.17Å; I230-F234 HydrophobicContact CG2-CD2 3.6Å; I230-F234 HydrophobicContact CG2-CE2 3.54Å; I230-F234 PolarHBondContact O-N 2.93Å; I230-L272 HydrophobicContact CG2-CD1 4.17Å; I230-P275 HydrophobicContact CG1-CB 3.77Å; I230-P275 HydrophobicContact CG1-CG 4.32Å; I230-L276 HydrophobicContact CG2-CD1 4.15Å; I230-M279 HydrophobicContact CD1-CG 3.45Å; I230-M279 VanDerWaalsContact CD1-CG 3.45Å; I230-M279 HydrophobicContact CD1-SD 3.76Å |
| 231 | Q | 98.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 57 Ų | 57 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 178.4 | -177.4 | 69.8 | 67 | 0 | 0 | 111.3 | Y212 K216 S227 N233 F234 D235 | Y212-Q231 HydrophobicContact CE1-CB 4.37Å; K216-Q231 VanDerWaalsContact NZ-OE1 3.08Å; S227-Q231 PolarHBondContact O-N 3.34Å; Q231-N233 VanDerWaalsContact C-N 3.26Å; Q231-N233 PolarHBondContact O-N 3.41Å; Q231-F234 PolarHBondContact O-N 3.29Å; Q231-D235 PolarHBondContact NE2-OD1 3.13Å; Q231-D235 PolarHBondContact O-N 2.77Å |
| 232 | M | 98.1 | Very high | 97.6 | Very high | 122 Ų | 122 | 53.7 Ų | 53.7 | 60% | 0.601 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59 | -39.1 | -179.8 | -174.1 | -174 | -54.9 | 0 | 0 | 112.2 | D228 I230 K236 | D228-M232 WeakPolarHBondContact O-CB 3.47Å; D228-M232 PolarHBondContact O-N 2.87Å; I230-M232 VanDerWaalsContact C-N 3.32Å; I230-M232 PolarHBondContact O-N 3.29Å; M232-K236 PolarHBondContact O-N 2.85Å; M232-K236 VanDerWaalsContact O-N 3.08Å |
| 233 | N | 98.1 | Very high | 97.9 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.2 | -40 | 178.5 | -79.1 | -73.6 | 0 | 0 | 0 | 112.2 | D229 I230 Q231 D235 K236 V237 L272 | D229-N233 PolarHBondContact O-N 3.42Å; D229-N233 PolarHBondContact O-ND2 3.19Å; I230-N233 PolarHBondContact O-N 3.17Å; I230-N233 VanDerWaalsContact O-N 3.17Å; Q231-N233 VanDerWaalsContact C-N 3.26Å; Q231-N233 PolarHBondContact O-N 3.41Å; N233-D235 VanDerWaalsContact C-N 3.33Å; N233-D235 PolarHBondContact O-N 2.99Å; N233-K236 PolarHBondContact O-N 3.4Å; N233-V237 WeakPolarHBondContact O-CG2 3.47Å; N233-V237 PolarHBondContact O-N 3.08Å; N233-L272 HydrophobicContact CB-CB 3.85Å; N233-L272 HydrophobicContact CB-CD1 3.71Å; N233-L272 HydrophobicContact CB-CG 4.34Å |
| 234 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 170.6 | -87.6 | -63.5 | 0 | 0 | 0 | 111.8 | V205 A208 Q209 Y212 I230 Q231 K236 V237 N238 L272 L276 | V205-F234 HydrophobicContact CG1-CD1 4.12Å; V205-F234 HydrophobicContact CG1-CE1 4.39Å; A208-F234 HydrophobicContact CB-CE1 4.3Å; A208-F234 HydrophobicContact CB-CZ 4.27Å; Q209-F234 VanDerWaalsContact CA-CZ 3.47Å; Q209-F234 HydrophobicContact CB-CD1 3.69Å; Q209-F234 HydrophobicContact CB-CE1 3.53Å; Q209-F234 HydrophobicContact CB-CE2 4.41Å; Q209-F234 HydrophobicContact CB-CG 4.22Å; Q209-F234 HydrophobicContact CB-CZ 3.94Å; Q209-F234 HydrophobicContact CG-CB 4.43Å; Q209-F234 HydrophobicContact CG-CD1 3.91Å; Q209-F234 HydrophobicContact CG-CD2 4.19Å; Q209-F234 HydrophobicContact CG-CE1 4.17Å; Q209-F234 HydrophobicContact CG-CE2 4.43Å; Q209-F234 HydrophobicContact CG-CG 3.94Å; Q209-F234 HydrophobicContact CG-CZ 4.44Å; Y212-F234 HydrophobicContact CD1-CD2 4.01Å; Y212-F234 HydrophobicContact CD1-CE2 4Å; Y212-F234 HydrophobicContact CG-CD2 4.32Å; Y212-F234 AromaticContact CG-CE2 3.89Å; Y212-F234 HydrophobicContact CG-CE2 3.89Å; I230-F234 HydrophobicContact CG2-CD2 3.6Å; I230-F234 HydrophobicContact CG2-CE2 3.54Å; I230-F234 PolarHBondContact O-N 2.93Å; Q231-F234 PolarHBondContact O-N 3.29Å; F234-K236 VanDerWaalsContact C-N 3.3Å; F234-K236 PolarHBondContact O-N 3.09Å; F234-V237 PolarHBondContact O-N 3.39Å; F234-N238 WeakPolarHBondContact O-CB 3.32Å; F234-N238 PolarHBondContact O-N 3.08Å; F234-N238 PolarHBondContact O-ND2 3.41Å; F234-L272 HydrophobicContact CD1-CD1 4.38Å; F234-L272 HydrophobicContact CD1-CD2 3.56Å; F234-L272 HydrophobicContact CD2-CD1 3.78Å; F234-L272 HydrophobicContact CD2-CD2 4.44Å; F234-L272 HydrophobicContact CE1-CD1 4.45Å; F234-L272 HydrophobicContact CE1-CD2 3.54Å; F234-L272 HydrophobicContact CE2-CD1 3.86Å; F234-L272 HydrophobicContact CE2-CD2 4.42Å; F234-L272 HydrophobicContact CG-CD1 4.04Å; F234-L272 HydrophobicContact CG-CD2 4.03Å; F234-L272 HydrophobicContact CZ-CD1 4.19Å; F234-L272 HydrophobicContact CZ-CD2 3.98Å; F234-L276 HydrophobicContact CE2-CD1 4.11Å; F234-L276 HydrophobicContact CZ-CD1 4.28Å |
| 235 | D | 98.5 | Very high | 98.1 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 178.6 | -66.6 | -10.1 | 0 | 0 | 0 | 110.9 | Q231 N233 N238 Q239 | Q231-D235 PolarHBondContact NE2-OD1 3.13Å; Q231-D235 PolarHBondContact O-N 2.77Å; N233-D235 VanDerWaalsContact C-N 3.33Å; N233-D235 PolarHBondContact O-N 2.99Å; D235-N238 PolarHBondContact O-N 3.06Å; D235-Q239 WeakPolarHBondContact O-CB 3.39Å; D235-Q239 WeakPolarHBondContact O-CG 3.34Å; D235-Q239 PolarHBondContact O-N 3.24Å |
| 236 | K | 98.1 | Very high | 98 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 176.6 | -176.6 | -178 | 176.1 | -170.9 | 0 | 112.5 | M232 N233 F234 Q239 L240 A268 | M232-K236 PolarHBondContact O-N 2.85Å; M232-K236 VanDerWaalsContact O-N 3.08Å; N233-K236 PolarHBondContact O-N 3.4Å; F234-K236 VanDerWaalsContact C-N 3.3Å; F234-K236 PolarHBondContact O-N 3.09Å; K236-Q239 PolarHBondContact O-N 2.68Å; K236-L240 WeakPolarHBondContact O-CG 3.49Å; K236-L240 PolarHBondContact O-N 3.1Å; K236-L240 VanDerWaalsContact O-N 3.14Å; K236-A268 HydrophobicContact CD-CB 4.27Å; K236-A268 HydrophobicContact CG-CB 4.36Å |
| 237 | V | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | V205 N233 F234 Q239 L240 L241 F265 A268 V269 L272 | V205-V237 HydrophobicContact CG1-CG1 4.07Å; V205-V237 HydrophobicContact CG2-CG1 3.65Å; N233-V237 WeakPolarHBondContact O-CG2 3.47Å; N233-V237 PolarHBondContact O-N 3.08Å; F234-V237 PolarHBondContact O-N 3.39Å; V237-Q239 PolarHBondContact O-N 3.19Å; V237-L240 WeakPolarHBondContact O-CB 3.37Å; V237-L240 PolarHBondContact O-N 3.31Å; V237-L240 VanDerWaalsContact O-N 3.11Å; V237-L241 HydrophobicContact CG1-CD1 4.46Å; V237-L241 PolarHBondContact O-N 2.89Å; V237-L241 VanDerWaalsContact O-N 3.16Å; V237-F265 HydrophobicContact CG1-CE2 3.71Å; V237-F265 HydrophobicContact CG1-CZ 4.29Å; V237-A268 HydrophobicContact CG2-CB 3.97Å; V237-V269 HydrophobicContact CG1-CG2 3.96Å; V237-V269 HydrophobicContact CG2-CG2 3.96Å; V237-L272 HydrophobicContact CG2-CD2 4.25Å |
| 238 | N | 98.5 | Very high | 97.6 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 176.7 | -79.1 | -71.6 | 0 | 0 | 0 | 112.1 | K202 Q209 F234 D235 L240 L241 D242 | K202-N238 PolarHBondContact NZ-OD1 2.92Å; Q209-N238 PolarHBondContact OE1-ND2 3.5Å; F234-N238 WeakPolarHBondContact O-CB 3.32Å; F234-N238 PolarHBondContact O-N 3.08Å; F234-N238 PolarHBondContact O-ND2 3.41Å; D235-N238 PolarHBondContact O-N 3.06Å; N238-L240 PolarHBondContact O-N 2.7Å; N238-L241 PolarHBondContact O-N 3.44Å; N238-D242 WeakPolarHBondContact O-CB 3.35Å; N238-D242 VanDerWaalsContact O-CG 3.23Å; N238-D242 PolarHBondContact O-N 2.96Å |
| 239 | Q | 98.3 | Very high | 97.3 | Very high | 127 Ų | 127 | 64.3 Ų | 64.3 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.3 | -30.6 | 175.8 | -77.3 | 172.6 | 14.4 | 0 | 0 | 113.3 | D235 K236 V237 K243 | D235-Q239 WeakPolarHBondContact O-CB 3.39Å; D235-Q239 WeakPolarHBondContact O-CG 3.34Å; D235-Q239 PolarHBondContact O-N 3.24Å; K236-Q239 PolarHBondContact O-N 2.68Å; V237-Q239 PolarHBondContact O-N 3.19Å; Q239-K243 WeakPolarHBondContact O-CG 3.48Å |
| 240 | L | 98.2 | Very high | 97.3 | Very high | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.7 | -41.6 | 175.3 | -70.6 | 171.4 | 0 | 0 | 0 | 111.7 | K236 V237 N238 F265 A268 | K236-L240 WeakPolarHBondContact O-CG 3.49Å; K236-L240 PolarHBondContact O-N 3.1Å; K236-L240 VanDerWaalsContact O-N 3.14Å; V237-L240 WeakPolarHBondContact O-CB 3.37Å; V237-L240 PolarHBondContact O-N 3.31Å; V237-L240 VanDerWaalsContact O-N 3.11Å; N238-L240 PolarHBondContact O-N 2.7Å; L240-F265 HydrophobicContact CB-CD2 4.17Å; L240-A268 HydrophobicContact CD1-CB 3.56Å |
| 241 | L | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 174.9 | -69.4 | 167.8 | 0 | 0 | 0 | 112 | L198 F201 K202 V205 V237 N238 K243 Y244 F265 | L198-L241 HydrophobicContact CD2-CD2 4.03Å; F201-L241 HydrophobicContact CB-CD2 3.94Å; F201-L241 HydrophobicContact CD2-CD2 4.44Å; K202-L241 HydrophobicContact CB-CD1 4.32Å; K202-L241 HydrophobicContact CD-CD1 4Å; V205-L241 HydrophobicContact CG2-CD1 4.26Å; V237-L241 HydrophobicContact CG1-CD1 4.46Å; V237-L241 PolarHBondContact O-N 2.89Å; V237-L241 VanDerWaalsContact O-N 3.16Å; N238-L241 PolarHBondContact O-N 3.44Å; L241-K243 PolarHBondContact O-N 3.03Å; L241-K243 VanDerWaalsContact O-N 3.09Å; L241-Y244 PolarHBondContact O-N 3.14Å; L241-F265 HydrophobicContact CD1-CE2 3.95Å; L241-F265 HydrophobicContact CD1-CZ 4.35Å; L241-F265 HydrophobicContact CD2-CD2 4.25Å; L241-F265 HydrophobicContact CD2-CE2 3.56Å; L241-F265 HydrophobicContact CD2-CZ 3.9Å; L241-F265 HydrophobicContact CG-CD2 4.3Å; L241-F265 HydrophobicContact CG-CE2 3.54Å; L241-F265 HydrophobicContact CG-CZ 4.23Å |
| 242 | D | 98.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.6 | -25.9 | -178 | -80.3 | -9.2 | 0 | 0 | 0 | 113.5 | N238 Y244 K245 | N238-D242 WeakPolarHBondContact O-CB 3.35Å; N238-D242 VanDerWaalsContact O-CG 3.23Å; N238-D242 PolarHBondContact O-N 2.96Å; D242-Y244 PolarHBondContact O-N 2.94Å; D242-K245 HydrophobicContact CB-CD 4.45Å; D242-K245 PolarHBondContact O-N 3.1Å; D242-K245 WeakPolarHBondContact OD1-CE 3.48Å; D242-K245 IonicContact OD1-NZ 3.07Å; D242-K245 PolarHBondContact OD1-NZ 3.34Å; D242-K245 IonicContact OD2-NZ 2.72Å |
| 243 | K | 97.7 | Very high | 97.3 | Very high | 140 Ų | 140 | 60.4 Ų | 60.4 | 61% | 0.609 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.5 | 175 | -67.2 | 174.2 | -176.5 | -179.8 | 0 | 113.5 | Q239 L241 | Q239-K243 WeakPolarHBondContact O-CG 3.48Å; L241-K243 PolarHBondContact O-N 3.03Å; L241-K243 VanDerWaalsContact O-N 3.09Å |
| 244 | Y | 98.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 11.5 | -176.1 | -66 | -79.4 | 0 | 0 | 0 | 113 | L198 L241 D242 Y251 E252 V257 D261 | L198-Y244 VanDerWaalsContact CD1-CB 3.4Å; L198-Y244 HydrophobicContact CD1-CD1 4.37Å; L198-Y244 HydrophobicContact CD1-CD2 4.48Å; L198-Y244 HydrophobicContact CD1-CG 3.87Å; L241-Y244 PolarHBondContact O-N 3.14Å; D242-Y244 PolarHBondContact O-N 2.94Å; Y244-Y251 CarbonylContact O-C 3.52Å; Y244-Y251 WeakPolarHBondContact O-CA 3.48Å; Y244-E252 WeakPolarHBondContact O-CG 3.3Å; Y244-E252 PolarHBondContact O-N 3.22Å; Y244-V257 HydrophobicContact CD1-CG2 4Å; Y244-V257 HydrophobicContact CD2-CG2 4.46Å; Y244-V257 HydrophobicContact CE1-CB 4.29Å; Y244-V257 HydrophobicContact CE1-CG1 4.47Å; Y244-V257 HydrophobicContact CE1-CG2 3.81Å; Y244-V257 HydrophobicContact CE2-CG1 4.12Å; Y244-V257 HydrophobicContact CE2-CG2 4.28Å; Y244-V257 HydrophobicContact CG-CG2 4.32Å; Y244-D261 HydrophobicContact CE2-CB 4.45Å; Y244-D261 WeakPolarHBondContact OH-CB 3.42Å; Y244-D261 PolarHBondContact OH-OD2 2.99Å |
| 245 | K | 98.3 | Very high | 97.3 | Very high | 104 Ų | 104 | 65.9 Ų | 65.9 | 45% | 0.452 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -61.9 | 136.9 | 169 | -77 | 172.9 | 167.7 | 164.2 | 0 | 110.2 | D242 G250 Y251 | D242-K245 HydrophobicContact CB-CD 4.45Å; D242-K245 PolarHBondContact O-N 3.1Å; D242-K245 WeakPolarHBondContact OD1-CE 3.48Å; D242-K245 IonicContact OD1-NZ 3.07Å; D242-K245 PolarHBondContact OD1-NZ 3.34Å; D242-K245 IonicContact OD2-NZ 2.72Å; K245-G250 CarbonylContact C-O 3.54Å; K245-G250 VanDerWaalsContact CA-O 3.31Å; K245-G250 WeakPolarHBondContact CA-O 3.48Å; K245-Y251 HydrophobicContact CG-CD1 4.22Å; K245-Y251 HydrophobicContact CG-CE1 3.71Å |
| 246 | D | 96.2 | Very high | 97.2 | Very high | 39 Ų | 39 | 68.5 Ų | 68.5 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | trans | -91.1 | 175.3 | 174.2 | 86.5 | -10.2 | 0 | 0 | 0 | 111.7 | N248 G249 G250 | D246-N248 PolarHBondContact O-N 2.87Å; D246-N248 WeakPolarHBondContact OD1-CA 3.4Å; D246-N248 WeakPolarHBondContact OD1-CB 3.3Å; D246-N248 PolarHBondContact OD1-N 3.39Å; D246-N248 PolarHBondContact OD2-ND2 2.92Å; D246-G249 PolarHBondContact OD1-N 3.26Å; D246-G250 PolarHBondContact N-O 3.27Å; D246-G250 WeakPolarHBondContact OD1-CA 3.32Å; D246-G250 PolarHBondContact OD1-N 2.88Å | ||
| 247 | N | 94.2 | Very high | 97.2 | Very high | 171 Ų | 171 | 64 Ų | 64 | 91% | 0.914 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -0.9 | 179 | -68.5 | -31.9 | 0 | 0 | 0 | 114 | ||
| 248 | N | 92.4 | Very high | 97.2 | Very high | 128 Ų | 128 | 66.3 Ų | 66.3 | 68% | 0.684 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 10.3 | -177.1 | -52.3 | -59 | 0 | 0 | 0 | 112.5 | D246 G250 | D246-N248 PolarHBondContact O-N 2.87Å; D246-N248 WeakPolarHBondContact OD1-CA 3.4Å; D246-N248 WeakPolarHBondContact OD1-CB 3.3Å; D246-N248 PolarHBondContact OD1-N 3.39Å; D246-N248 PolarHBondContact OD2-ND2 2.92Å; N248-G250 VanDerWaalsContact C-N 3.34Å |
| 249 | G | 91.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 74.5 Ų | 74.5 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 75.7 | 22 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D246 | D246-G249 PolarHBondContact OD1-N 3.26Š|
| 250 | G | 96.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 76.5 Ų | 76.5 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -121.6 | -151.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y199 K245 D246 N248 | Y199-G250 VanDerWaalsContact OH-CA 3.3Å; Y199-G250 WeakPolarHBondContact OH-CA 3.49Å; K245-G250 CarbonylContact C-O 3.54Å; K245-G250 VanDerWaalsContact CA-O 3.31Å; K245-G250 WeakPolarHBondContact CA-O 3.48Å; D246-G250 PolarHBondContact N-O 3.27Å; D246-G250 WeakPolarHBondContact OD1-CA 3.32Å; D246-G250 PolarHBondContact OD1-N 2.88Å; N248-G250 VanDerWaalsContact C-N 3.34Å |
| 251 | Y | 98.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 77.7 Ų | 77.7 | 9% | 0.09 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -122.5 | 150.2 | 177.8 | -63.7 | -85.4 | 0 | 0 | 0 | 111.6 | M87 L198 Y199 K202 Y244 K245 | M87-Y251 HydrophobicContact CE-CE2 4.32Å; L198-Y251 HydrophobicContact CB-CD1 4.13Å; L198-Y251 HydrophobicContact CB-CG 3.88Å; Y199-Y251 HydrophobicContact CD1-CD2 4.05Å; Y199-Y251 AromaticContact CD2-CD2 3.99Å; Y199-Y251 HydrophobicContact CD2-CD2 3.99Å; Y199-Y251 HydrophobicContact CD2-CG 4.42Å; Y199-Y251 HydrophobicContact CE1-CD2 4.2Å; Y199-Y251 HydrophobicContact CE2-CD2 4.16Å; Y199-Y251 HydrophobicContact CE2-CG 4.44Å; Y199-Y251 AromaticContact CG-CD2 3.94Å; Y199-Y251 HydrophobicContact CG-CD2 3.94Å; Y199-Y251 VanDerWaalsContact CZ-N 3.31Å; Y199-Y251 PolarHBondContact OH-N 2.83Å; Y199-Y251 VanDerWaalsContact OH-N 3.1Å; K202-Y251 HydrophobicContact CB-CE2 3.95Å; K202-Y251 WeakPolarHBondContact CD-OH 3.13Å; K202-Y251 HydrophobicContact CG-CE2 4.13Å; K202-Y251 WeakPolarHBondContact CG-OH 3.26Å; Y244-Y251 CarbonylContact O-C 3.52Å; Y244-Y251 WeakPolarHBondContact O-CA 3.48Å; K245-Y251 HydrophobicContact CG-CD1 4.22Å; K245-Y251 HydrophobicContact CG-CE1 3.71Å |
| 252 | E | 98.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 80.6 Ų | 80.6 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | trans | -58.9 | 158.2 | 167.6 | -72.1 | -79.2 | -142.1 | 0 | 0 | 111.4 | L198 Y244 K256 | L198-E252 WeakPolarHBondContact CD1-O 3.42Å; Y244-E252 WeakPolarHBondContact O-CG 3.3Å; Y244-E252 PolarHBondContact O-N 3.22Å; E252-K256 HydrophobicContact CB-CD 4.03Å; E252-K256 HydrophobicContact CG-CD 4.27Å; E252-K256 IonicContact OE1-NZ 3.77Å; E252-K256 PolarHBondContact OE1-NZ 3.09Å; E252-K256 WeakPolarHBondContact OE2-CD 3.28Å; E252-K256 WeakPolarHBondContact OE2-CE 3.44Å; E252-K256 IonicContact OE2-NZ 3.95Å; E252-K256 PolarHBondContact OE2-NZ 2.75Å | ||
| 253 | S | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 83.1 Ų | 83.1 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | trans | -59.7 | 139.9 | 172.6 | 170.9 | 0 | 0 | 0 | 0 | 111 | E255 K256 | S253-E255 PolarHBondContact O-N 3.21Å; S253-E255 VanDerWaalsContact O-N 3.1Å; S253-E255 PolarHBondContact OG-N 3.38Å; S253-K256 WeakPolarHBondContact O-CB 3.31Å; S253-K256 PolarHBondContact O-N 3.42Å | ||
| 254 | F | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 78.2 Ų | 78.2 | 1% | 0.013 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -60.9 | -20.2 | 177.4 | -169.3 | -118.4 | 0 | 0 | 0 | 113.4 | I186 G188 H195 D197 L198 F201 K256 V257 R262 | I186-F254 HydrophobicContact CD1-CE2 4.39Å; I186-F254 HydrophobicContact CD1-CZ 4.15Å; I186-F254 VanDerWaalsContact O-CZ 3.26Å; I186-F254 WeakPolarHBondContact O-CZ 3.31Å; G188-F254 VanDerWaalsContact CA-CE1 3.41Å; H195-F254 HydrophobicContact CB-CB 4.42Å; H195-F254 WeakPolarHBondContact O-CB 3.34Å; H195-F254 PolarHBondContact O-N 2.9Å; D197-F254 HydrophobicContact CB-CB 4.1Å; D197-F254 HydrophobicContact CB-CD1 4.12Å; D197-F254 HydrophobicContact CB-CD2 4.12Å; D197-F254 HydrophobicContact CB-CG 3.84Å; D197-F254 VanDerWaalsContact OD2-CB 3.23Å; D197-F254 WeakPolarHBondContact OD2-CB 3.5Å; D197-F254 WeakPolarHBondContact OD2-CD1 3.49Å; D197-F254 WeakPolarHBondContact OD2-CG 3.41Å; L198-F254 HydrophobicContact CD2-CD2 4.02Å; L198-F254 HydrophobicContact CD2-CE2 4.35Å; L198-F254 HydrophobicContact CG-CD2 4.02Å; F201-F254 HydrophobicContact CE2-CD2 4.24Å; F201-F254 AromaticContact CE2-CE2 3.59Å; F201-F254 HydrophobicContact CE2-CE2 3.59Å; F201-F254 HydrophobicContact CE2-CZ 4.02Å; F201-F254 HydrophobicContact CZ-CE2 4.1Å; F201-F254 HydrophobicContact CZ-CZ 4.16Å; F254-K256 PolarHBondContact O-N 2.96Å; F254-V257 HydrophobicContact CD2-CB 4Å; F254-V257 HydrophobicContact CD2-CG2 3.57Å; F254-V257 HydrophobicContact CE2-CB 3.92Å; F254-V257 HydrophobicContact CE2-CG1 4.16Å; F254-V257 HydrophobicContact CE2-CG2 3.89Å; F254-V257 HydrophobicContact CG-CG2 4.47Å; F254-V257 WeakPolarHBondContact O-CB 3.3Å; F254-V257 PolarHBondContact O-N 3.19Å; F254-R262 VanDerWaalsContact CE1-NH1 3.28Å; F254-R262 HydrophobicContact CE2-CG 4.4Å; F254-R262 HydrophobicContact CZ-CG 4.03Å; F254-R262 PolarHBondContact O-NH2 2.88Å; F254-R262 VanDerWaalsContact O-NH2 3.07Å |
| 255 | E | 97.8 | Very high | 97.1 | Very high | 139 Ų | 139 | 77 Ų | 77 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -60.4 | -27.4 | 171 | -63 | -170 | 116.5 | 0 | 0 | 112.9 | H195 S253 V257 | H195-E255 HydrophobicContact CB-CG 4.12Å; H195-E255 VanDerWaalsContact CD2-CD 3.5Å; H195-E255 IonicContact CD2-OE1 2.68Å; H195-E255 IonicContact CD2-OE2 3.49Å; H195-E255 IonicContact NE2-OE1 3.77Å; S253-E255 PolarHBondContact O-N 3.21Å; S253-E255 VanDerWaalsContact O-N 3.1Å; S253-E255 PolarHBondContact OG-N 3.38Å; E255-V257 VanDerWaalsContact C-N 3.28Å; E255-V257 PolarHBondContact O-N 3.24Å |
| 256 | K | 97.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 72.5 Ų | 72.5 | 53% | 0.53 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -77.4 | -12.9 | 177 | -68.1 | 178.4 | 167.8 | -178.6 | 0 | 113.1 | E252 S253 F254 S258 | E252-K256 HydrophobicContact CB-CD 4.03Å; E252-K256 HydrophobicContact CG-CD 4.27Å; E252-K256 IonicContact OE1-NZ 3.77Å; E252-K256 PolarHBondContact OE1-NZ 3.09Å; E252-K256 WeakPolarHBondContact OE2-CD 3.28Å; E252-K256 WeakPolarHBondContact OE2-CE 3.44Å; E252-K256 IonicContact OE2-NZ 3.95Å; E252-K256 PolarHBondContact OE2-NZ 2.75Å; S253-K256 WeakPolarHBondContact O-CB 3.31Å; S253-K256 PolarHBondContact O-N 3.42Å; F254-K256 PolarHBondContact O-N 2.96Å; K256-S258 PolarHBondContact O-N 3.17Å |
| 257 | V | 98.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 74.3 Ų | 74.3 | 5% | 0.048 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -79.8 | 110.1 | -179.4 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | L198 Y244 F254 E255 D261 R262 | L198-V257 HydrophobicContact CD1-CG2 3.9Å; L198-V257 HydrophobicContact CD2-CG2 4.1Å; L198-V257 HydrophobicContact CG-CG2 4.25Å; Y244-V257 HydrophobicContact CD1-CG2 4Å; Y244-V257 HydrophobicContact CD2-CG2 4.46Å; Y244-V257 HydrophobicContact CE1-CB 4.29Å; Y244-V257 HydrophobicContact CE1-CG1 4.47Å; Y244-V257 HydrophobicContact CE1-CG2 3.81Å; Y244-V257 HydrophobicContact CE2-CG1 4.12Å; Y244-V257 HydrophobicContact CE2-CG2 4.28Å; Y244-V257 HydrophobicContact CG-CG2 4.32Å; F254-V257 HydrophobicContact CD2-CB 4Å; F254-V257 HydrophobicContact CD2-CG2 3.57Å; F254-V257 HydrophobicContact CE2-CB 3.92Å; F254-V257 HydrophobicContact CE2-CG1 4.16Å; F254-V257 HydrophobicContact CE2-CG2 3.89Å; F254-V257 HydrophobicContact CG-CG2 4.47Å; F254-V257 WeakPolarHBondContact O-CB 3.3Å; F254-V257 PolarHBondContact O-N 3.19Å; E255-V257 VanDerWaalsContact C-N 3.28Å; E255-V257 PolarHBondContact O-N 3.24Å; V257-D261 HydrophobicContact CG1-CB 4.08Å; V257-R262 HydrophobicContact CB-CG 4.2Å; V257-R262 HydrophobicContact CG1-CG 3.59Å; V257-R262 PolarHBondContact O-NE 2.91Å |
| 258 | S | 97.6 | Very high | 97.3 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | trans | -64.9 | 154.5 | -176.9 | 83.1 | 0 | 0 | 0 | 0 | 111.9 | K256 K260 D261 R262 | K256-S258 PolarHBondContact O-N 3.17Å; S258-K260 PolarHBondContact O-N 3.23Å; S258-K260 VanDerWaalsContact O-N 3.11Å; S258-K260 PolarHBondContact OG-N 2.94Å; S258-D261 WeakPolarHBondContact CB-OD2 3.42Å; S258-D261 PolarHBondContact O-N 2.86Å; S258-D261 PolarHBondContact OG-N 2.95Å; S258-D261 VanDerWaalsContact OG-N 3.12Å; S258-D261 PolarHBondContact OG-OD2 3.49Å; S258-R262 WeakPolarHBondContact O-CG 3.3Å; S258-R262 PolarHBondContact O-N 3.19Å | ||
| 259 | K | 97.3 | Very high | 97.6 | Very high | 192 Ų | 192 | 60 Ų | 60 | 84% | 0.835 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53.6 | -34.4 | 174.4 | -69.7 | -175.5 | 177.8 | -177.7 | 0 | 113 | K263 | K259-K263 WeakPolarHBondContact O-CB 3.37Å; K259-K263 PolarHBondContact O-N 3.36Å; K259-K263 VanDerWaalsContact O-N 3.08Å |
| 260 | K | 98.1 | Very high | 97.7 | Very high | 170 Ų | 170 | 59.6 Ų | 59.6 | 74% | 0.739 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.3 | -43.9 | 176.9 | -179.2 | -175.1 | 174.3 | -173.2 | 0 | 111.1 | S258 K263 A264 | S258-K260 PolarHBondContact O-N 3.23Å; S258-K260 VanDerWaalsContact O-N 3.11Å; S258-K260 PolarHBondContact OG-N 2.94Å; K260-K263 PolarHBondContact O-N 3.39Å; K260-A264 WeakPolarHBondContact O-CB 3.46Å; K260-A264 PolarHBondContact O-N 3.45Å |
| 261 | D | 97.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 61.5 Ų | 61.5 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.1 | -37.4 | -179.4 | -60.2 | -44.6 | 0 | 0 | 0 | 111.5 | Y244 V257 S258 K263 A264 F265 | Y244-D261 HydrophobicContact CE2-CB 4.45Å; Y244-D261 WeakPolarHBondContact OH-CB 3.42Å; Y244-D261 PolarHBondContact OH-OD2 2.99Å; V257-D261 HydrophobicContact CG1-CB 4.08Å; S258-D261 WeakPolarHBondContact CB-OD2 3.42Å; S258-D261 PolarHBondContact O-N 2.86Å; S258-D261 PolarHBondContact OG-N 2.95Å; S258-D261 VanDerWaalsContact OG-N 3.12Å; S258-D261 PolarHBondContact OG-OD2 3.49Å; D261-K263 VanDerWaalsContact C-N 3.32Å; D261-K263 PolarHBondContact O-N 3.18Å; D261-A264 PolarHBondContact O-N 3.48Å; D261-A264 VanDerWaalsContact O-N 3.17Å; D261-F265 WeakPolarHBondContact O-CB 3.21Å; D261-F265 PolarHBondContact O-N 3.14Å |
| 262 | R | 98.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.6 | -47.5 | 169.8 | -67.4 | -175.7 | -167.3 | -152.2 | -5.1 | 111.2 | I186 T187 F254 V257 S258 F265 A266 | I186-R262 HydrophobicContact CD1-CB 4.04Å; I186-R262 HydrophobicContact CD1-CG 4.24Å; I186-R262 HydrophobicContact CG1-CB 4.03Å; T187-R262 PolarHBondContact O-NH1 2.58Å; F254-R262 VanDerWaalsContact CE1-NH1 3.28Å; F254-R262 HydrophobicContact CE2-CG 4.4Å; F254-R262 HydrophobicContact CZ-CG 4.03Å; F254-R262 PolarHBondContact O-NH2 2.88Å; F254-R262 VanDerWaalsContact O-NH2 3.07Å; V257-R262 HydrophobicContact CB-CG 4.2Å; V257-R262 HydrophobicContact CG1-CG 3.59Å; V257-R262 PolarHBondContact O-NE 2.91Å; S258-R262 WeakPolarHBondContact O-CG 3.3Å; S258-R262 PolarHBondContact O-N 3.19Å; R262-F265 PolarHBondContact O-N 2.74Å; R262-A266 WeakPolarHBondContact O-CB 3.4Å; R262-A266 PolarHBondContact O-N 3.48Å |
| 263 | K | 98 | Very high | 97.2 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.4 | 175 | 165.2 | 174.8 | 47 | 0 | 112.2 | K259 K260 D261 F265 A266 D267 | K259-K263 WeakPolarHBondContact O-CB 3.37Å; K259-K263 PolarHBondContact O-N 3.36Å; K259-K263 VanDerWaalsContact O-N 3.08Å; K260-K263 PolarHBondContact O-N 3.39Å; D261-K263 VanDerWaalsContact C-N 3.32Å; D261-K263 PolarHBondContact O-N 3.18Å; K263-F265 VanDerWaalsContact C-N 3.28Å; K263-F265 PolarHBondContact O-N 3.14Å; K263-A266 PolarHBondContact O-N 3.38Å; K263-D267 WeakPolarHBondContact CE-OD2 3.44Å; K263-D267 WeakPolarHBondContact CG-OD2 3.5Å; K263-D267 IonicContact NZ-OD1 2.71Å; K263-D267 PolarHBondContact NZ-OD1 2.88Å; K263-D267 IonicContact NZ-OD2 2.87Å; K263-D267 PolarHBondContact NZ-OD2 3.01Å; K263-D267 WeakPolarHBondContact O-CB 3.42Å; K263-D267 PolarHBondContact O-N 2.89Å |
| 264 | A | 97.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 31% | 0.306 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K260 D261 A268 | K260-A264 WeakPolarHBondContact O-CB 3.46Å; K260-A264 PolarHBondContact O-N 3.45Å; D261-A264 PolarHBondContact O-N 3.48Å; D261-A264 VanDerWaalsContact O-N 3.17Å; A264-A268 WeakPolarHBondContact O-CB 3.38Å; A264-A268 PolarHBondContact O-N 2.99Å; A264-A268 VanDerWaalsContact O-N 3.09Å |
| 265 | F | 98 | Very high | 96.6 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -52.4 | 173.6 | -178.4 | -100.3 | 0 | 0 | 0 | 111.3 | V181 I186 F201 V237 L240 L241 D261 R262 K263 D267 A268 V269 | V181-F265 HydrophobicContact CG1-CE1 3.53Å; V181-F265 HydrophobicContact CG1-CZ 3.97Å; I186-F265 HydrophobicContact CD1-CB 4.43Å; I186-F265 HydrophobicContact CD1-CD1 3.54Å; I186-F265 HydrophobicContact CD1-CE1 4.25Å; I186-F265 HydrophobicContact CD1-CG 4.39Å; I186-F265 HydrophobicContact CG1-CD1 4.45Å; F201-F265 HydrophobicContact CB-CE1 4.42Å; F201-F265 HydrophobicContact CB-CZ 4.05Å; F201-F265 HydrophobicContact CD2-CD1 4.39Å; F201-F265 AromaticContact CD2-CE1 3.68Å; F201-F265 HydrophobicContact CD2-CE1 3.68Å; F201-F265 HydrophobicContact CD2-CZ 4.02Å; F201-F265 HydrophobicContact CE2-CE1 4.24Å; F201-F265 HydrophobicContact CG-CE1 4.16Å; F201-F265 HydrophobicContact CG-CZ 4.28Å; V237-F265 HydrophobicContact CG1-CE2 3.71Å; V237-F265 HydrophobicContact CG1-CZ 4.29Å; L240-F265 HydrophobicContact CB-CD2 4.17Å; L241-F265 HydrophobicContact CD1-CE2 3.95Å; L241-F265 HydrophobicContact CD1-CZ 4.35Å; L241-F265 HydrophobicContact CD2-CD2 4.25Å; L241-F265 HydrophobicContact CD2-CE2 3.56Å; L241-F265 HydrophobicContact CD2-CZ 3.9Å; L241-F265 HydrophobicContact CG-CD2 4.3Å; L241-F265 HydrophobicContact CG-CE2 3.54Å; L241-F265 HydrophobicContact CG-CZ 4.23Å; D261-F265 WeakPolarHBondContact O-CB 3.21Å; D261-F265 PolarHBondContact O-N 3.14Å; R262-F265 PolarHBondContact O-N 2.74Å; K263-F265 VanDerWaalsContact C-N 3.28Å; K263-F265 PolarHBondContact O-N 3.14Å; F265-D267 VanDerWaalsContact C-N 3.33Å; F265-D267 PolarHBondContact O-N 3.2Å; F265-A268 WeakPolarHBondContact O-CB 3.42Å; F265-A268 PolarHBondContact O-N 3.01Å; F265-V269 HydrophobicContact CD1-CG2 4.2Å; F265-V269 HydrophobicContact CD2-CG2 4.46Å; F265-V269 HydrophobicContact CE1-CG2 3.85Å; F265-V269 HydrophobicContact CE2-CG2 4.07Å; F265-V269 HydrophobicContact CZ-CG2 3.76Å; F265-V269 WeakPolarHBondContact O-CG2 3.5Å; F265-V269 PolarHBondContact O-N 3.21Å |
| 266 | A | 97.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A182 I186 R262 K263 A268 V269 N270 | A182-A266 WeakPolarHBondContact O-CB 3.41Å; I186-A266 HydrophobicContact CG1-CB 4.33Å; R262-A266 WeakPolarHBondContact O-CB 3.4Å; R262-A266 PolarHBondContact O-N 3.48Å; K263-A266 PolarHBondContact O-N 3.38Å; A266-A268 VanDerWaalsContact C-N 3.28Å; A266-A268 PolarHBondContact O-N 3.43Å; A266-V269 PolarHBondContact O-N 2.85Å; A266-N270 WeakPolarHBondContact O-CB 3.35Å; A266-N270 VanDerWaalsContact O-CG 3.28Å; A266-N270 PolarHBondContact O-N 2.97Å; A266-N270 PolarHBondContact O-ND2 3.04Å; A266-N270 VanDerWaalsContact O-ND2 3.15Å |
| 267 | D | 97.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 176.9 | -69.2 | -17.5 | 0 | 0 | 0 | 111.6 | K263 F265 A271 | K263-D267 WeakPolarHBondContact CE-OD2 3.44Å; K263-D267 WeakPolarHBondContact CG-OD2 3.5Å; K263-D267 IonicContact NZ-OD1 2.71Å; K263-D267 PolarHBondContact NZ-OD1 2.88Å; K263-D267 IonicContact NZ-OD2 2.87Å; K263-D267 PolarHBondContact NZ-OD2 3.01Å; K263-D267 WeakPolarHBondContact O-CB 3.42Å; K263-D267 PolarHBondContact O-N 2.89Å; F265-D267 VanDerWaalsContact C-N 3.33Å; F265-D267 PolarHBondContact O-N 3.2Å; D267-A271 WeakPolarHBondContact O-CB 3.44Å; D267-A271 PolarHBondContact O-N 3.19Å; D267-A271 VanDerWaalsContact O-N 3.11Å |
| 268 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.7 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K236 V237 L240 A264 F265 A266 A271 L272 | K236-A268 HydrophobicContact CD-CB 4.27Å; K236-A268 HydrophobicContact CG-CB 4.36Å; V237-A268 HydrophobicContact CG2-CB 3.97Å; L240-A268 HydrophobicContact CD1-CB 3.56Å; A264-A268 WeakPolarHBondContact O-CB 3.38Å; A264-A268 PolarHBondContact O-N 2.99Å; A264-A268 VanDerWaalsContact O-N 3.09Å; F265-A268 WeakPolarHBondContact O-CB 3.42Å; F265-A268 PolarHBondContact O-N 3.01Å; A266-A268 VanDerWaalsContact C-N 3.28Å; A266-A268 PolarHBondContact O-N 3.43Å; A268-A271 PolarHBondContact O-N 3.14Å; A268-L272 PolarHBondContact O-N 2.55Å; A268-L272 VanDerWaalsContact O-N 3.11Å |
| 269 | V | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | L178 V181 A182 V237 F265 A266 A271 L272 G273 | L178-V269 HydrophobicContact CB-CG1 3.84Å; L178-V269 HydrophobicContact CD2-CG1 4.15Å; L178-V269 WeakPolarHBondContact O-CG1 3.39Å; V181-V269 HydrophobicContact CG1-CG2 4.48Å; A182-V269 HydrophobicContact CB-CB 3.94Å; A182-V269 HydrophobicContact CB-CG1 3.84Å; V237-V269 HydrophobicContact CG1-CG2 3.96Å; V237-V269 HydrophobicContact CG2-CG2 3.96Å; F265-V269 HydrophobicContact CD1-CG2 4.2Å; F265-V269 HydrophobicContact CD2-CG2 4.46Å; F265-V269 HydrophobicContact CE1-CG2 3.85Å; F265-V269 HydrophobicContact CE2-CG2 4.07Å; F265-V269 HydrophobicContact CZ-CG2 3.76Å; F265-V269 WeakPolarHBondContact O-CG2 3.5Å; F265-V269 PolarHBondContact O-N 3.21Å; A266-V269 PolarHBondContact O-N 2.85Å; V269-A271 VanDerWaalsContact C-N 3.32Å; V269-A271 PolarHBondContact O-N 3.44Å; V269-L272 WeakPolarHBondContact O-CA 3.36Å; V269-L272 VanDerWaalsContact O-CB 3.31Å; V269-L272 WeakPolarHBondContact O-CB 3.06Å; V269-L272 PolarHBondContact O-N 3.22Å; V269-G273 PolarHBondContact O-N 3.27Å |
| 270 | N | 95.4 | Very high | 95 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 172.9 | -74.9 | -33.4 | 0 | 0 | 0 | 112.4 | A182 A266 L272 G273 | A182-N270 VanDerWaalsContact CB-OD1 3.32Å; A182-N270 WeakPolarHBondContact CB-OD1 3.22Å; A266-N270 WeakPolarHBondContact O-CB 3.35Å; A266-N270 VanDerWaalsContact O-CG 3.28Å; A266-N270 PolarHBondContact O-N 2.97Å; A266-N270 PolarHBondContact O-ND2 3.04Å; A266-N270 VanDerWaalsContact O-ND2 3.15Å; N270-L272 PolarHBondContact O-N 3.28Å; N270-G273 PolarHBondContact O-N 3.27Å |
| 271 | A | 95.6 | Very high | 94.3 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 35% | 0.347 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -23.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D267 A268 V269 P275 | D267-A271 WeakPolarHBondContact O-CB 3.44Å; D267-A271 PolarHBondContact O-N 3.19Å; D267-A271 VanDerWaalsContact O-N 3.11Å; A268-A271 PolarHBondContact O-N 3.14Å; V269-A271 VanDerWaalsContact C-N 3.32Å; V269-A271 PolarHBondContact O-N 3.44Å; A271-P275 WeakPolarHBondContact O-CD 3.41Å; A271-P275 WeakPolarHBondContact O-CG 3.41Å |
| 272 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.2 | -39.5 | 171.4 | 175.8 | 58.8 | 0 | 0 | 0 | 112.2 | L178 I230 N233 F234 V237 A268 V269 N270 E274 P275 L276 | L178-L272 HydrophobicContact CD1-CD2 3.68Å; L178-L272 HydrophobicContact CD1-CG 4.05Å; I230-L272 HydrophobicContact CG2-CD1 4.17Å; N233-L272 HydrophobicContact CB-CB 3.85Å; N233-L272 HydrophobicContact CB-CD1 3.71Å; N233-L272 HydrophobicContact CB-CG 4.34Å; F234-L272 HydrophobicContact CD1-CD1 4.38Å; F234-L272 HydrophobicContact CD1-CD2 3.56Å; F234-L272 HydrophobicContact CD2-CD1 3.78Å; F234-L272 HydrophobicContact CD2-CD2 4.44Å; F234-L272 HydrophobicContact CE1-CD1 4.45Å; F234-L272 HydrophobicContact CE1-CD2 3.54Å; F234-L272 HydrophobicContact CE2-CD1 3.86Å; F234-L272 HydrophobicContact CE2-CD2 4.42Å; F234-L272 HydrophobicContact CG-CD1 4.04Å; F234-L272 HydrophobicContact CG-CD2 4.03Å; F234-L272 HydrophobicContact CZ-CD1 4.19Å; F234-L272 HydrophobicContact CZ-CD2 3.98Å; V237-L272 HydrophobicContact CG2-CD2 4.25Å; A268-L272 PolarHBondContact O-N 2.55Å; A268-L272 VanDerWaalsContact O-N 3.11Å; V269-L272 WeakPolarHBondContact O-CA 3.36Å; V269-L272 VanDerWaalsContact O-CB 3.31Å; V269-L272 WeakPolarHBondContact O-CB 3.06Å; V269-L272 PolarHBondContact O-N 3.22Å; N270-L272 PolarHBondContact O-N 3.28Å; L272-E274 PolarHBondContact O-N 3.04Å; L272-P275 WeakPolarHBondContact O-CD 3.43Å; L272-P275 VanDerWaalsContact O-CG 3.27Å; L272-P275 WeakPolarHBondContact O-CG 3.43Å; L272-L276 VanDerWaalsContact O-CB 3.32Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 PolarHBondContact O-N 3.08Å; L272-L276 VanDerWaalsContact O-N 3.08Å |
| 273 | G | 91.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V269 N270 L276 S277 | V269-G273 PolarHBondContact O-N 3.27Å; N270-G273 PolarHBondContact O-N 3.27Å; G273-L276 PolarHBondContact O-N 3.17Å; G273-S277 WeakPolarHBondContact O-CB 3.39Å; G273-S277 PolarHBondContact O-N 3.48Å |
| 274 | E | 89.1 | Confident | 91.4 | Very high | 123 Ų | 123 | 42.4 Ų | 42.4 | 58% | 0.575 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.9 | -57.2 | 179.9 | -171.1 | -162.7 | 150.9 | 0 | 0 | 112.9 | L272 L276 S277 K278 | L272-E274 PolarHBondContact O-N 3.04Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 2.67Å; E274-S277 PolarHBondContact O-N 3.42Å; E274-S277 PolarHBondContact O-OG 3.35Å; E274-K278 IonicContact OE1-NZ 2.71Å; E274-K278 PolarHBondContact OE1-NZ 3.41Å |
| 275 | P | 94 | Very high | 91.1 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -33.9 | 177.5 | 26.7 | -35 | 0 | 0 | 0 | 112.5 | L226 I230 A271 L272 S277 K278 | L226-P275 HydrophobicContact CD1-CB 3.69Å; I230-P275 HydrophobicContact CG1-CB 3.77Å; I230-P275 HydrophobicContact CG1-CG 4.32Å; A271-P275 WeakPolarHBondContact O-CD 3.41Å; A271-P275 WeakPolarHBondContact O-CG 3.41Å; L272-P275 WeakPolarHBondContact O-CD 3.43Å; L272-P275 VanDerWaalsContact O-CG 3.27Å; L272-P275 WeakPolarHBondContact O-CG 3.43Å; P275-S277 VanDerWaalsContact C-N 3.31Å; P275-S277 PolarHBondContact O-N 2.92Å; P275-K278 WeakPolarHBondContact O-CB 3.45Å; P275-K278 PolarHBondContact O-N 3.16Å; P275-K278 VanDerWaalsContact O-N 3.12Å |
| 276 | L | 92 | Very high | 90.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 175.9 | -165.9 | 73.4 | 0 | 0 | 0 | 111.8 | V175 L178 I230 F234 L272 G273 E274 K278 M279 | V175-L276 HydrophobicContact CG2-CB 4.29Å; V175-L276 HydrophobicContact CG2-CD2 4.01Å; V175-L276 HydrophobicContact CG2-CG 4.06Å; L178-L276 HydrophobicContact CD1-CD2 3.58Å; I230-L276 HydrophobicContact CG2-CD1 4.15Å; F234-L276 HydrophobicContact CE2-CD1 4.11Å; F234-L276 HydrophobicContact CZ-CD1 4.28Å; L272-L276 VanDerWaalsContact O-CB 3.32Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 PolarHBondContact O-N 3.08Å; L272-L276 VanDerWaalsContact O-N 3.08Å; G273-L276 PolarHBondContact O-N 3.17Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 2.67Å; L276-K278 PolarHBondContact O-N 3.04Å; L276-M279 HydrophobicContact CD1-CG 4.48Å; L276-M279 HydrophobicContact CD1-SD 3.52Å; L276-M279 VanDerWaalsContact CD1-SD 3.52Å; L276-M279 HydrophobicContact CG-SD 4.45Å; L276-M279 VanDerWaalsContact O-CB 3.25Å; L276-M279 WeakPolarHBondContact O-CB 3.18Å; L276-M279 WeakPolarHBondContact O-CG 3.44Å; L276-M279 PolarHBondContact O-N 3.26Å |
| 277 | S | 92.3 | Very high | 90.4 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 42% | 0.42 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -27.9 | 176.5 | 77.6 | 0 | 0 | 0 | 0 | 113.3 | G273 E274 P275 M279 | G273-S277 WeakPolarHBondContact O-CB 3.39Å; G273-S277 PolarHBondContact O-N 3.48Å; E274-S277 PolarHBondContact O-N 3.42Å; E274-S277 PolarHBondContact O-OG 3.35Å; P275-S277 VanDerWaalsContact C-N 3.31Å; P275-S277 PolarHBondContact O-N 2.92Å; S277-M279 PolarHBondContact O-N 2.88Å |
| 278 | K | 94.4 | Very high | 89.9 | Confident | 101 Ų | 101 | 44.4 Ų | 44.4 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -76.4 | -8.5 | 177.9 | -62.6 | 173 | -172.6 | 165.9 | 0 | 113.2 | L226 E274 P275 L276 A280 V281 | L226-K278 HydrophobicContact CD1-CB 4.11Å; L226-K278 HydrophobicContact CD1-CD 4.4Å; L226-K278 HydrophobicContact CD2-CB 3.64Å; E274-K278 IonicContact OE1-NZ 2.71Å; E274-K278 PolarHBondContact OE1-NZ 3.41Å; P275-K278 WeakPolarHBondContact O-CB 3.45Å; P275-K278 PolarHBondContact O-N 3.16Å; P275-K278 VanDerWaalsContact O-N 3.12Å; L276-K278 PolarHBondContact O-N 3.04Å; K278-A280 PolarHBondContact O-N 2.97Å; K278-A280 VanDerWaalsContact O-N 3.14Å; K278-V281 VanDerWaalsContact O-CG1 3.32Å; K278-V281 WeakPolarHBondContact O-CG1 3.49Å; K278-V281 PolarHBondContact O-N 3.28Å |
| 279 | M | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -61.7 | -17.4 | 173.4 | -70.6 | -170.6 | 65.6 | 0 | 0 | 113.2 | L171 Y212 F215 L219 I230 L276 S277 V281 I282 | L171-M279 HydrophobicContact CD1-CB 4.46Å; L171-M279 HydrophobicContact CD2-CB 3.77Å; L171-M279 HydrophobicContact CD2-CE 4.02Å; L171-M279 HydrophobicContact CD2-SD 4.16Å; Y212-M279 HydrophobicContact CD2-CE 4Å; Y212-M279 HydrophobicContact CD2-SD 3.83Å; F215-M279 HydrophobicContact CB-CE 3.48Å; F215-M279 VanDerWaalsContact CB-CE 3.48Å; F215-M279 HydrophobicContact CD2-CE 4.12Å; F215-M279 HydrophobicContact CG-CE 4.26Å; L219-M279 HydrophobicContact CD2-CE 4.27Å; L219-M279 HydrophobicContact CD2-CG 4.13Å; I230-M279 HydrophobicContact CD1-CG 3.45Å; I230-M279 VanDerWaalsContact CD1-CG 3.45Å; I230-M279 HydrophobicContact CD1-SD 3.76Å; L276-M279 HydrophobicContact CD1-CG 4.48Å; L276-M279 HydrophobicContact CD1-SD 3.52Å; L276-M279 VanDerWaalsContact CD1-SD 3.52Å; L276-M279 HydrophobicContact CG-SD 4.45Å; L276-M279 VanDerWaalsContact O-CB 3.25Å; L276-M279 WeakPolarHBondContact O-CB 3.18Å; L276-M279 WeakPolarHBondContact O-CG 3.44Å; L276-M279 PolarHBondContact O-N 3.26Å; S277-M279 PolarHBondContact O-N 2.88Å; M279-V281 PolarHBondContact O-N 3.07Å; M279-I282 HydrophobicContact CE-CD1 4.46Å; M279-I282 WeakPolarHBondContact O-CG1 3.27Å; M279-I282 WeakPolarHBondContact O-CG2 3.25Å; M279-I282 PolarHBondContact O-N 3.21Å |
| 280 | A | 85.1 | Confident | 88.9 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -50.7 | -26.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | K278 I282 T283 | K278-A280 PolarHBondContact O-N 2.97Å; K278-A280 VanDerWaalsContact O-N 3.14Å; A280-I282 PolarHBondContact O-N 3.19Å; A280-T283 WeakPolarHBondContact O-CB 3.29Å; A280-T283 PolarHBondContact O-N 3.38Å; A280-T283 PolarHBondContact O-OG1 2.95Å |
| 281 | V | 83.5 | Confident | 88.4 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -54.6 | -21.2 | 173 | 74.6 | 0 | 0 | 0 | 0 | 114.2 | L219 K222 K278 M279 T283 E284 | L219-V281 HydrophobicContact CD1-CG1 4.11Å; K222-V281 PolarHBondContact NZ-O 3.45Å; K278-V281 VanDerWaalsContact O-CG1 3.32Å; K278-V281 WeakPolarHBondContact O-CG1 3.49Å; K278-V281 PolarHBondContact O-N 3.28Å; M279-V281 PolarHBondContact O-N 3.07Å; V281-T283 PolarHBondContact O-N 2.73Å; V281-E284 PolarHBondContact O-N 3.12Å |
| 282 | I | 83.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -70.7 | -22 | 175.3 | 74.4 | -175.8 | 0 | 0 | 0 | 112.7 | V37 L41 L171 F215 I218 L219 K222 M279 A280 | V37-I282 WeakPolarHBondContact CG1-O 3.43Å; L41-I282 HydrophobicContact CD2-CD1 3.89Å; L41-I282 HydrophobicContact CD2-CG1 3.94Å; L171-I282 HydrophobicContact CD1-CD1 4.07Å; L171-I282 HydrophobicContact CD1-CG1 4.28Å; F215-I282 HydrophobicContact CB-CD1 3.64Å; F215-I282 HydrophobicContact CD1-CD1 3.58Å; F215-I282 HydrophobicContact CD2-CD1 3.84Å; F215-I282 HydrophobicContact CE1-CD1 4.17Å; F215-I282 HydrophobicContact CE2-CD1 4.37Å; F215-I282 HydrophobicContact CG-CD1 3.41Å; F215-I282 VanDerWaalsContact CG-CD1 3.41Å; I218-I282 HydrophobicContact CG2-CB 3.98Å; I218-I282 HydrophobicContact CG2-CG2 4.25Å; L219-I282 HydrophobicContact CB-CG2 4.02Å; L219-I282 HydrophobicContact CD1-CG2 3.89Å; K222-I282 HydrophobicContact CD-CB 4.47Å; K222-I282 HydrophobicContact CD-CG2 4.37Å; M279-I282 HydrophobicContact CE-CD1 4.46Å; M279-I282 WeakPolarHBondContact O-CG1 3.27Å; M279-I282 WeakPolarHBondContact O-CG2 3.25Å; M279-I282 PolarHBondContact O-N 3.21Å; A280-I282 PolarHBondContact O-N 3.19Å |
| 283 | T | 78.3 | Confident | 87.2 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -91.3 | -7.2 | -180 | 68 | 0 | 0 | 0 | 0 | 113.6 | L41 L171 A280 V281 | L41-T283 HydrophobicContact CD1-CG2 4.42Å; L171-T283 HydrophobicContact CD1-CG2 4.35Å; A280-T283 WeakPolarHBondContact O-CB 3.29Å; A280-T283 PolarHBondContact O-N 3.38Å; A280-T283 PolarHBondContact O-OG1 2.95Å; V281-T283 PolarHBondContact O-N 2.73Å |
| 284 | E | 71.5 | Confident | 86.8 | Confident | 172 Ų | 172 | 58.3 Ų | 58.3 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | trans | -89.6 | 0 | 175.1 | -59.4 | 176.4 | 179.9 | 0 | 0 | 112.6 | K222 V281 | K222-E284 PolarHBondContact NZ-OXT 3.21Å; V281-E284 PolarHBondContact O-N 3.12Å |
Retrieved 284 of 284 residues in 1023.2 ms
(Link to these results)