| 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 | 37.1 | Very low | 36.5 | Very low | 230 Ų | 230 | 158.1 Ų | 158.1 | 100% | 1.133 | 86% | 0.857 | S | S | * | * | 0 | 96.5 | 0 | -87.9 | 162.4 | 149.3 | 0 | 0 | 108.1 | |||||
| 2 | T | 37.3 | Very low | 36.7 | Very low | 123 Ų | 123 | 165.4 Ų | 165.4 | 76% | 0.755 | 86% | 0.863 | S | S | * | * | 67.8 | 122.8 | 104.1 | -12.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 3 | M | 35.6 | Very low | 37 | Very low | 176 Ų | 176 | 168.5 Ų | 168.5 | 87% | 0.867 | 87% | 0.865 | S | S | * | * | cis | -164.2 | 144 | 12.7 | -138.6 | 177.2 | -160.4 | 0 | 0 | 110.4 | ||||
| 4 | V | 34.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 173.9 Ų | 173.9 | 76% | 0.758 | 87% | 0.87 | S | S | * | * | trans | -42.6 | 139.9 | 165.6 | 175.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 5 | K | 40.1 | Very low | 37.4 | Very low | 217 Ų | 217 | 174.1 Ų | 174.1 | 94% | 0.943 | 87% | 0.873 | S | S | * | * | trans | -132.6 | 111.3 | 148.4 | -86.9 | -172.8 | 176.6 | 177.2 | 0 | 110.3 | ||||
| 6 | S | 31.7 | Very low | 37.8 | Very low | 110 Ų | 110 | 169.3 Ų | 169.3 | 77% | 0.769 | 87% | 0.869 | S | S | * | * | trans | -87.7 | 141.2 | 171.6 | 58 | 0 | 0 | 0 | 0 | 110 | ||||
| 7 | A | 40.5 | Very low | 37.8 | Very low | 96 Ų | 96 | 169.5 Ų | 169.5 | 79% | 0.793 | 87% | 0.865 | S | S | * | * | trans | -153.9 | 92 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 8 | V | 36.5 | Very low | 37.9 | Very low | 130 Ų | 130 | 169.7 Ų | 169.7 | 79% | 0.788 | 86% | 0.862 | S | S | * | * | trans | 37.4 | 97.3 | 138.2 | -168.6 | 0 | 0 | 0 | 0 | 117.7 | K10 | V8-K10 HydrophobicContact CG1-CG 4.44Š| ||
| 9 | R | 33.5 | Very low | 38.2 | Very low | 257 Ų | 257 | 169.6 Ų | 169.6 | 97% | 0.97 | 86% | 0.858 | S | S | * | * | trans | -80.9 | 107.4 | 157.8 | -99.4 | 178.8 | 168.6 | 172.1 | -2.7 | 109.6 | ||||
| 10 | K | 42.7 | Very low | 38.4 | Very low | 198 Ų | 198 | 168.1 Ų | 168.1 | 86% | 0.861 | 85% | 0.852 | S | S | * | * | trans | -79.1 | 117.7 | 161.4 | -85.5 | -177.2 | 174.9 | 179.6 | 0 | 109 | V8 R12 | V8-K10 HydrophobicContact CG1-CG 4.44Å; K10-R12 PolarHBondContact O-N 2.9Å | ||
| 11 | G | 32.3 | Very low | 38.5 | Very low | 77 Ų | 77 | 165.4 Ų | 165.4 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | -67.5 | 122 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K13 | G11-K13 PolarHBondContact O-N 2.9Š| ||
| 12 | R | 38.3 | Very low | 38.7 | Very low | 246 Ų | 246 | 163.8 Ų | 163.8 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | trans | -80 | 107.1 | 162.9 | -108.5 | 175.9 | 170.8 | 165.7 | -3.1 | 107.8 | K10 R14 | K10-R12 PolarHBondContact O-N 2.9Å; R12-R14 PolarHBondContact O-N 3.17Å | ||
| 13 | K | 41.4 | Very low | 38.7 | Very low | 205 Ų | 205 | 165.2 Ų | 165.2 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.2 | 166.1 | -76.5 | -178.6 | 175.5 | 179.9 | 0 | 108 | G11 L15 | G11-K13 PolarHBondContact O-N 2.9Å; K13-L15 PolarHBondContact O-N 3.33Å |
| 14 | R | 39.5 | Very low | 38.7 | Very low | 245 Ų | 245 | 166.3 Ų | 166.3 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 117.5 | 167.4 | -75.7 | -179 | 166 | -170.7 | -4.9 | 107.1 | R12 A16 | R12-R14 PolarHBondContact O-N 3.17Å; R14-A16 PolarHBondContact O-N 3.46Å |
| 15 | L | 39.8 | Very low | 38.6 | Very low | 176 Ų | 176 | 167.8 Ų | 167.8 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 125.9 | 165.8 | -79.3 | 154.4 | 0 | 0 | 0 | 107.7 | K13 H17 | K13-L15 PolarHBondContact O-N 3.33Å; L15-H17 PolarHBondContact O-N 2.97Å |
| 16 | A | 44.2 | Very low | 38.1 | Very low | 98 Ų | 98 | 160.8 Ų | 160.8 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 130.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109 | R14 Q18 | R14-A16 PolarHBondContact O-N 3.46Å; A16-Q18 PolarHBondContact O-N 3.44Å |
| 17 | H | 38.3 | Very low | 38 | Very low | 173 Ų | 173 | 160.7 Ų | 160.7 | 80% | 0.801 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121 | 176 | -153 | -56.8 | 0 | 0 | 0 | 108.4 | L15 | L15-H17 PolarHBondContact O-N 2.97Š|
| 18 | Q | 39.6 | Very low | 37.5 | Very low | 173 Ų | 173 | 162 Ų | 162 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 130.7 | 168.9 | -160.6 | 165.5 | -2.1 | 0 | 0 | 107.2 | A16 | A16-Q18 PolarHBondContact O-N 3.44Š|
| 19 | E | 43.2 | Very low | 37.2 | Very low | 168 Ų | 168 | 164.4 Ų | 164.4 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 136.8 | 176.5 | -69.1 | -172.4 | 163.9 | 0 | 0 | 109.9 | ||
| 20 | D | 42.8 | Very low | 37.1 | Very low | 138 Ų | 138 | 158.8 Ų | 158.8 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 137.6 | 175.5 | -71.5 | -33.9 | 0 | 0 | 0 | 110.4 | K22 | D20-K22 PolarHBondContact O-N 3.43Š|
| 21 | P | 39.2 | Very low | 36.7 | Very low | 113 Ų | 113 | 158.9 Ų | 158.9 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.5 | 178.5 | 23.9 | -31.4 | 0 | 0 | 0 | 110.5 | I23 | P21-I23 PolarHBondContact O-N 3.35Š|
| 22 | K | 42.3 | Very low | 37.2 | Very low | 195 Ų | 195 | 163.2 Ų | 163.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 96.5 | 174.1 | -66.6 | 179.2 | -177.4 | 173.3 | 0 | 109.7 | D20 K24 | D20-K22 PolarHBondContact O-N 3.43Å; K22-K24 PolarHBondContact O-N 3.43Å | ||
| 23 | I | 37.8 | Very low | 37.6 | Very low | 153 Ų | 153 | 160.9 Ų | 160.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -69.6 | 114 | 168.8 | -60.7 | 174.5 | 0 | 0 | 0 | 107.3 | P21 D25 | P21-I23 PolarHBondContact O-N 3.35Å; I23-D25 PolarHBondContact O-N 3.46Å | ||
| 24 | K | 34.8 | Very low | 38.2 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -65.4 | 125.5 | 171.4 | -75.4 | 179.7 | 175.8 | 177.2 | 0 | 109 | K22 G26 | K22-K24 PolarHBondContact O-N 3.43Å; K24-G26 PolarHBondContact O-N 3.07Å | ||
| 25 | D | 31.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -59.2 | 90.3 | 173.1 | -76.6 | -49.1 | 0 | 0 | 0 | 111.6 | I23 | I23-D25 PolarHBondContact O-N 3.46Š| ||
| 26 | G | 31.1 | Very low | 39.8 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | -102.5 | 74.8 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | K24 V28 | K24-G26 PolarHBondContact O-N 3.07Å; G26-V28 PolarHBondContact O-N 2.76Å; G26-V28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | V | 29 | Very low | 40.2 | Very low | 107 Ų | 107 | 147 Ų | 147 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | trans | -68.4 | 101.5 | 175.8 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | K29 | V27-K29 HydrophobicContact CG1-CD 4.47Å; V27-K29 HydrophobicContact CG1-CG 3.97Å | ||
| 28 | V | 29.5 | Very low | 40.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | trans | -112.4 | 95.3 | 156 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | G26 L30 | G26-V28 PolarHBondContact O-N 2.76Å; G26-V28 VanDerWaalsContact O-N 3.08Å; V28-L30 HydrophobicContact CG1-CD1 4.14Å; V28-L30 PolarHBondContact O-N 2.78Å; V28-L30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | K | 30 | Very low | 41.9 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -72.8 | 94 | 170.6 | -78.3 | 176.5 | 178.6 | 170.7 | 0 | 109.4 | V27 | V27-K29 HydrophobicContact CG1-CD 4.47Å; V27-K29 HydrophobicContact CG1-CG 3.97Å | ||
| 30 | L | 32.2 | Very low | 42.7 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 72% | 0.723 | 69% | 0.688 | S | S | * | * | trans | -102.3 | 83.7 | 158.1 | -91.7 | 152 | 0 | 0 | 0 | 108.6 | V28 E32 | V28-L30 HydrophobicContact CG1-CD1 4.14Å; V28-L30 PolarHBondContact O-N 2.78Å; V28-L30 VanDerWaalsContact O-N 3.14Å; L30-E32 PolarHBondContact O-N 3.33Å | ||
| 31 | R | 34.6 | Very low | 43.4 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | trans | -80.6 | 87.9 | 164.4 | -89.2 | -175.1 | 169.7 | -179.5 | -3.3 | 107.9 | K33 | R31-K33 PolarHBondContact O-N 2.9Š| ||
| 32 | E | 42.1 | Very low | 44.2 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | trans | -76.5 | 110.1 | 164.7 | -72.6 | -166.9 | 159.5 | 0 | 0 | 109.3 | L30 L34 | L30-E32 PolarHBondContact O-N 3.33Å; E32-L34 PolarHBondContact O-N 3.31Å | ||
| 33 | K | 46.1 | Very low | 45 | Very low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.857 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.2 | 167.2 | -75.8 | 178.9 | 176.6 | 176 | 0 | 107.7 | R31 T35 | R31-K33 PolarHBondContact O-N 2.9Å; K33-T35 PolarHBondContact O-N 3.44Å; K33-T35 VanDerWaalsContact O-N 3.16Å |
| 34 | L | 54.6 | Low | 45.9 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 36% | 0.361 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -49.9 | 122.5 | 172.6 | -73.4 | 163.8 | 0 | 0 | 0 | 110.4 | E32 Q38 K39 L42 | E32-L34 PolarHBondContact O-N 3.31Å; L34-Q38 HydrophobicContact CB-CB 4.34Å; L34-Q38 HydrophobicContact CD2-CB 3.79Å; L34-Q38 HydrophobicContact CD2-CG 4.3Å; L34-K39 HydrophobicContact CB-CG 4.25Å; L34-L42 HydrophobicContact CD1-CD1 4.32Å |
| 35 | T | 58.4 | Low | 46.9 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 47% | 0.466 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 154.3 | 174.9 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | K33 R37 Q38 K39 | K33-T35 PolarHBondContact O-N 3.44Å; K33-T35 VanDerWaalsContact O-N 3.16Å; T35-R37 PolarHBondContact O-N 2.94Å; T35-R37 VanDerWaalsContact O-N 3.12Å; T35-Q38 PolarHBondContact O-N 3.22Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.49Å; T35-Q38 PolarHBondContact OG1-N 3.42Å; T35-Q38 PolarHBondContact OG1-OE1 2.89Å; T35-K39 PolarHBondContact O-N 3.37Å |
| 36 | S | 54 | Low | 47.9 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 64% | 0.643 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -53.3 | -33.3 | 175.1 | 53 | 0 | 0 | 0 | 0 | 112.5 | K39 Q40 | S36-K39 PolarHBondContact O-N 2.99Å; S36-Q40 WeakPolarHBondContact O-CB 3.4Å; S36-Q40 WeakPolarHBondContact O-CG 3.29Å; S36-Q40 PolarHBondContact O-N 3.02Å |
| 37 | R | 52.8 | Low | 48.5 | Very low | 196 Ų | 196 | 129.1 Ų | 129.1 | 74% | 0.74 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.2 | -42.1 | 173.9 | -77.1 | -174.9 | 171.4 | -174.6 | -1.5 | 113.2 | T35 Q40 R41 | T35-R37 PolarHBondContact O-N 2.94Å; T35-R37 VanDerWaalsContact O-N 3.12Å; R37-Q40 PolarHBondContact O-N 3.49Å; R37-R41 WeakPolarHBondContact O-CB 3.16Å; R37-R41 PolarHBondContact O-N 2.83Å |
| 38 | Q | 54.7 | Low | 48.9 | Very low | 83 Ų | 83 | 133 Ų | 133 | 39% | 0.388 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.3 | -41.3 | 175.2 | -75.6 | 163.5 | -40.5 | 0 | 0 | 111 | L34 T35 Q40 R41 L42 | L34-Q38 HydrophobicContact CB-CB 4.34Å; L34-Q38 HydrophobicContact CD2-CB 3.79Å; L34-Q38 HydrophobicContact CD2-CG 4.3Å; T35-Q38 PolarHBondContact O-N 3.22Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.49Å; T35-Q38 PolarHBondContact OG1-N 3.42Å; T35-Q38 PolarHBondContact OG1-OE1 2.89Å; Q38-Q40 PolarHBondContact O-N 3.28Å; Q38-R41 PolarHBondContact O-N 3.07Å; Q38-L42 PolarHBondContact O-N 3.15Å |
| 39 | K | 59.8 | Low | 49.2 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 43% | 0.426 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60 | -44 | 172.2 | -67.4 | -173.8 | -179.4 | -172.4 | 0 | 112.1 | L34 T35 S36 L42 K43 | L34-K39 HydrophobicContact CB-CG 4.25Å; T35-K39 PolarHBondContact O-N 3.37Å; S36-K39 PolarHBondContact O-N 2.99Å; K39-L42 PolarHBondContact O-N 3.19Å; K39-K43 WeakPolarHBondContact O-CB 3.42Å; K39-K43 PolarHBondContact O-N 3.31Å |
| 40 | Q | 58.9 | Low | 49.5 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 58% | 0.584 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65 | -36.4 | 175.4 | -83.4 | -178.6 | -13.2 | 0 | 0 | 112.9 | S36 R37 Q38 K43 K44 | S36-Q40 WeakPolarHBondContact O-CB 3.4Å; S36-Q40 WeakPolarHBondContact O-CG 3.29Å; S36-Q40 PolarHBondContact O-N 3.02Å; R37-Q40 PolarHBondContact O-N 3.49Å; Q38-Q40 PolarHBondContact O-N 3.28Å; Q40-K43 PolarHBondContact O-N 3.16Å; Q40-K44 WeakPolarHBondContact O-CB 3.48Å; Q40-K44 WeakPolarHBondContact O-CG 3.5Å; Q40-K44 PolarHBondContact O-N 3.4Å |
| 41 | R | 58.2 | Low | 49.7 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.7 | -43.8 | 176.1 | -84 | -178.6 | 138.6 | -172.4 | -4.8 | 112.1 | R37 Q38 K44 R45 | R37-R41 WeakPolarHBondContact O-CB 3.16Å; R37-R41 PolarHBondContact O-N 2.83Å; Q38-R41 PolarHBondContact O-N 3.07Å; R41-K44 PolarHBondContact O-N 3.26Å; R41-R45 PolarHBondContact O-N 3.13Å |
| 42 | L | 56.8 | Low | 49.5 | Very low | 53 Ų | 53 | 127.6 Ų | 127.6 | 28% | 0.277 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -57.8 | -50.8 | 170.8 | -84.3 | 151.3 | 0 | 0 | 0 | 109.7 | L34 Q38 K39 K44 R45 F46 Y237 | L34-L42 HydrophobicContact CD1-CD1 4.32Å; Q38-L42 PolarHBondContact O-N 3.15Å; K39-L42 PolarHBondContact O-N 3.19Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 2.57Å; L42-R45 PolarHBondContact O-N 3.23Å; L42-R45 VanDerWaalsContact O-N 3.07Å; L42-F46 HydrophobicContact CD2-CD2 4.46Å; L42-F46 HydrophobicContact CD2-CE2 3.75Å; L42-F46 WeakPolarHBondContact O-CB 3.41Å; L42-F46 WeakPolarHBondContact O-CD2 3.49Å; L42-F46 PolarHBondContact O-N 3.16Å; L42-Y237 HydrophobicContact CB-CE1 4.33Å |
| 43 | K | 57.9 | Low | 49 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -58.2 | -39.8 | 177.8 | -162.1 | 170.4 | -175 | 174.5 | 0 | 113.1 | K39 Q40 F46 L47 | K39-K43 WeakPolarHBondContact O-CB 3.42Å; K39-K43 PolarHBondContact O-N 3.31Å; Q40-K43 PolarHBondContact O-N 3.16Å; K43-F46 PolarHBondContact O-N 3.04Å; K43-L47 HydrophobicContact CG-CD1 3.89Å; K43-L47 WeakPolarHBondContact O-CB 3.32Å; K43-L47 WeakPolarHBondContact O-CD1 3.48Å; K43-L47 PolarHBondContact O-N 3.03Å |
| 44 | K | 58.3 | Low | 48.3 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.5 | -28.3 | 175.7 | -82.7 | -171.2 | 175.8 | -171.5 | 0 | 114.1 | Q40 R41 L42 | Q40-K44 WeakPolarHBondContact O-CB 3.48Å; Q40-K44 WeakPolarHBondContact O-CG 3.5Å; Q40-K44 PolarHBondContact O-N 3.4Å; R41-K44 PolarHBondContact O-N 3.26Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 2.57Å |
| 45 | R | 54.6 | Low | 47 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.1 | -28.8 | 174.8 | -80 | -177.4 | 175.4 | -177 | -4.4 | 111.9 | R41 L42 | R41-R45 PolarHBondContact O-N 3.13Å; L42-R45 PolarHBondContact O-N 3.23Å; L42-R45 VanDerWaalsContact O-N 3.07Å |
| 46 | F | 51.7 | Low | 45.6 | Very low | 58 Ų | 58 | 138.4 Ų | 138.4 | 25% | 0.254 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -82.7 | -44 | 177.8 | -80.5 | -56.4 | 0 | 0 | 0 | 111.9 | L42 K43 K48 P197 E227 | L42-F46 HydrophobicContact CD2-CD2 4.46Å; L42-F46 HydrophobicContact CD2-CE2 3.75Å; L42-F46 WeakPolarHBondContact O-CB 3.41Å; L42-F46 WeakPolarHBondContact O-CD2 3.49Å; L42-F46 PolarHBondContact O-N 3.16Å; K43-F46 PolarHBondContact O-N 3.04Å; F46-K48 VanDerWaalsContact C-N 3.33Å; F46-K48 PolarHBondContact O-N 3.06Å; F46-K48 VanDerWaalsContact O-N 3.09Å; F46-P197 HydrophobicContact CZ-CB 4.28Å; F46-P197 HydrophobicContact CZ-CG 3.96Å; F46-E227 VanDerWaalsContact CA-OE1 3.23Å; F46-E227 WeakPolarHBondContact CA-OE1 3.27Å; F46-E227 WeakPolarHBondContact CB-OE1 3.37Å; F46-E227 WeakPolarHBondContact CD1-OE1 3.23Å; F46-E227 VanDerWaalsContact O-CD 3.25Å |
| 47 | L | 43.6 | Very low | 44.2 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 47% | 0.471 | 66% | 0.662 | S | S | . | * | trans | -81.7 | 30.4 | -179.5 | -88.7 | 81.9 | 0 | 0 | 0 | 116.7 | K43 S49 | K43-L47 HydrophobicContact CG-CD1 3.89Å; K43-L47 WeakPolarHBondContact O-CB 3.32Å; K43-L47 WeakPolarHBondContact O-CD1 3.48Å; K43-L47 PolarHBondContact O-N 3.03Å; L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 2.7Å | ||
| 48 | K | 38.8 | Very low | 43.1 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | trans | -91.2 | 66.6 | 174.1 | -94.8 | -169 | 175.6 | -170.4 | 0 | 111.8 | F46 | F46-K48 VanDerWaalsContact C-N 3.33Å; F46-K48 PolarHBondContact O-N 3.06Å; F46-K48 VanDerWaalsContact O-N 3.09Å | ||
| 49 | S | 34.8 | Very low | 41.7 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | trans | -172.7 | 75.4 | 155.8 | 60 | 0 | 0 | 0 | 0 | 109.6 | L47 | L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 2.7Å | ||
| 50 | D | 36.6 | Very low | 40.2 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -132.5 | 91.5 | 167.8 | -85.2 | -27.2 | 0 | 0 | 0 | 108.2 | ||||
| 51 | E | 36.3 | Very low | 38.7 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -89.2 | 135.6 | 146 | -75.9 | -152.2 | 158 | 0 | 0 | 107.9 | V53 | E51-V53 PolarHBondContact O-N 3.02Š| ||
| 52 | P | 31 | Very low | 37.1 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -84.3 | 112 | -175.2 | 32.9 | -29.2 | 0 | 0 | 0 | 109.9 | ||||
| 53 | V | 32.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -95.2 | 115.7 | 166.2 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | E51 | E51-V53 PolarHBondContact O-N 3.02Š| ||
| 54 | E | 30.6 | Very low | 34.2 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -60.7 | 144.4 | 179.8 | -70 | -176.3 | 144.5 | 0 | 0 | 113.7 | R56 | E54-R56 PolarHBondContact O-N 2.82Š| ||
| 55 | N | 27.1 | Very low | 32.9 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -55.8 | 123.6 | 172.7 | -78.1 | -47.7 | 0 | 0 | 0 | 113.4 | ||||
| 56 | R | 28.7 | Very low | 31.5 | Very low | 251 Ų | 251 | 150.7 Ų | 150.7 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | trans | -137.3 | 108.1 | 141.7 | -78.8 | -167.3 | 177.3 | 175.4 | 0.3 | 111.5 | E54 | E54-R56 PolarHBondContact O-N 2.82Š| ||
| 57 | V | 26 | Very low | 30.3 | Very low | 128 Ų | 128 | 153 Ų | 153 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 127 | 167.8 | 172.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 58 | S | 29.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -160.2 | 126.3 | 150.1 | -79.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 59 | R | 24.1 | Very low | 29 | Very low | 236 Ų | 236 | 155.1 Ų | 155.1 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -72.6 | 140.8 | -179.5 | -67.4 | 168.1 | 174.1 | 149.7 | -3.1 | 111.8 | ||||
| 60 | K | 27.9 | Very low | 28.7 | Very low | 201 Ų | 201 | 158.5 Ų | 158.5 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 170.1 | 103.2 | 141.9 | -94.3 | 165.4 | -176.7 | -171.7 | 0 | 108 | ||||
| 61 | V | 28.8 | Very low | 28.2 | Very low | 140 Ų | 140 | 159.5 Ų | 159.5 | 85% | 0.848 | 83% | 0.829 | S | S | * | * | 62.7 | 100 | 95.6 | -176.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 62 | F | 23.9 | Very low | 27.9 | Very low | 177 Ų | 177 | 158.8 Ų | 158.8 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | 35.6 | 117.2 | 137.4 | -140.8 | -114.9 | 0 | 0 | 0 | 120.6 | ||||
| 63 | E | 28 | Very low | 27.8 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 77% | 0.771 | 83% | 0.828 | S | S | * | * | 175 | 148.5 | 101 | -88.6 | -173.5 | 174.5 | 0 | 0 | 110.8 | |||||
| 64 | P | 26.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | trans | -98.8 | 136.4 | -170.9 | 36.2 | -27.4 | 0 | 0 | 0 | 112.7 | ||||
| 65 | S | 30 | Very low | 27.5 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -146.9 | 120.7 | 166.7 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 66 | D | 25.7 | Very low | 27.6 | Very low | 157 Ų | 157 | 156.2 Ų | 156.2 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | 18.8 | 141.8 | 151.5 | -76.5 | -31.3 | 0 | 0 | 0 | 122.2 | ||||
| 67 | S | 26 | Very low | 27.6 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 84.8 | 140.5 | 151.1 | 74.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 68 | L | 27 | Very low | 28 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | 91.4 | 83 | 172.3 | -51.3 | 167.5 | 0 | 0 | 0 | 115.8 | ||||
| 69 | L | 29.6 | Very low | 28.2 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | trans | -138.8 | 86.8 | 134.9 | -74.3 | -177.4 | 0 | 0 | 0 | 108 | ||||
| 70 | E | 28 | Very low | 29.1 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | -69.9 | 137.2 | 156.4 | -67.9 | 178 | 155 | 0 | 0 | 108.7 | ||||
| 71 | N | 26 | Very low | 29.7 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | 40.8 | 93.5 | 150.1 | -71.5 | -16.1 | 0 | 0 | 0 | 118.5 | ||||
| 72 | D | 30.3 | Very low | 30.3 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -115.9 | 110.3 | 140.8 | -82.3 | -37.6 | 0 | 0 | 0 | 108.1 | D74 | D72-D74 PolarHBondContact O-N 3.39Š| ||
| 73 | G | 27.7 | Very low | 31.1 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | trans | -77.7 | 108.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E75 | G73-E75 PolarHBondContact O-N 3.39Š| ||
| 74 | D | 28.5 | Very low | 32.2 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | trans | -85.1 | 88.8 | 152.9 | -77.1 | -28.6 | 0 | 0 | 0 | 107.4 | D72 L76 | D72-D74 PolarHBondContact O-N 3.39Å; D74-L76 PolarHBondContact O-N 3.44Å | ||
| 75 | E | 27.4 | Very low | 33.1 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 80% | 0.799 | 68% | 0.68 | S | S | * | * | trans | -62.8 | 91.1 | 164.4 | -140 | 176.7 | -160.5 | 0 | 0 | 107.2 | G73 M77 | G73-E75 PolarHBondContact O-N 3.39Å; E75-M77 VanDerWaalsContact C-N 3.27Å; E75-M77 PolarHBondContact O-N 3.14Å | ||
| 76 | L | 30.5 | Very low | 33.8 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 81% | 0.806 | 67% | 0.673 | S | S | * | * | trans | -59.6 | 94.5 | 167.3 | -82.2 | 161.1 | 0 | 0 | 0 | 107.4 | D74 V78 | D74-L76 PolarHBondContact O-N 3.44Å; L76-V78 WeakPolarHBondContact O-CG2 3.28Å; L76-V78 PolarHBondContact O-N 2.87Å | ||
| 77 | M | 28.5 | Very low | 34.9 | Very low | 145 Ų | 145 | 118.6 Ų | 118.6 | 71% | 0.714 | 65% | 0.646 | S | S | * | * | trans | -51.6 | 112.6 | 165.1 | -72.9 | -77.5 | -173.7 | 0 | 0 | 107.4 | E75 D79 | E75-M77 VanDerWaalsContact C-N 3.27Å; E75-M77 PolarHBondContact O-N 3.14Å; M77-D79 VanDerWaalsContact C-N 3.33Å; M77-D79 PolarHBondContact O-N 3.08Å | ||
| 78 | V | 34.6 | Very low | 35.9 | Very low | 148 Ų | 148 | 117.7 Ų | 117.7 | 90% | 0.897 | 63% | 0.63 | S | S | * | * | trans | -77.6 | 91.1 | 179.2 | -159.3 | 0 | 0 | 0 | 0 | 106.1 | L76 | L76-V78 WeakPolarHBondContact O-CG2 3.28Å; L76-V78 PolarHBondContact O-N 2.87Å | ||
| 79 | D | 34 | Very low | 36.5 | Very low | 83 Ų | 83 | 116.1 Ų | 116.1 | 44% | 0.444 | 62% | 0.623 | S | S | . | * | trans | -72.8 | 130.6 | -173.1 | -56.7 | -20.6 | 0 | 0 | 0 | 111.5 | M77 F81 K183 | M77-D79 VanDerWaalsContact C-N 3.33Å; M77-D79 PolarHBondContact O-N 3.08Å; D79-F81 PolarHBondContact O-N 2.96Å; D79-K183 WeakPolarHBondContact OD2-CE 3.43Å; D79-K183 IonicContact OD2-NZ 2.9Å; D79-K183 PolarHBondContact OD2-NZ 3.21Å | ||
| 80 | D | 41 | Very low | 37 | Very low | 108 Ų | 108 | 115 Ų | 115 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -67.7 | 58.6 | -171.9 | -166.1 | 11.7 | 0 | 0 | 0 | 114.5 | R152 | D80-R152 PolarHBondContact O-NH1 3.42Å; D80-R152 PolarHBondContact O-NH2 3.26Å |
| 81 | F | 40.8 | Very low | 37.5 | Very low | 39 Ų | 39 | 112.8 Ų | 112.8 | 17% | 0.171 | 61% | 0.606 | C | S | . | * | trans | -99.5 | 82.5 | 149.7 | -82.9 | -93.5 | 0 | 0 | 0 | 107 | D79 R83 L139 P182 | D79-F81 PolarHBondContact O-N 2.96Å; F81-R83 PolarHBondContact O-N 2.93Å; F81-L139 HydrophobicContact CE1-CB 3.81Å; F81-L139 HydrophobicContact CZ-CB 3.89Å; F81-P182 HydrophobicContact CB-CB 4.15Å; F81-P182 HydrophobicContact CD1-CB 4.25Å; F81-P182 HydrophobicContact CD2-CB 3.74Å; F81-P182 HydrophobicContact CD2-CG 4.36Å; F81-P182 HydrophobicContact CE2-CB 4.15Å; F81-P182 HydrophobicContact CG-CB 3.79Å | ||
| 82 | G | 41.7 | Very low | 38.1 | Very low | 48 Ų | 48 | 112.2 Ų | 112.2 | 50% | 0.495 | 60% | 0.601 | S | S | . | * | trans | -40.1 | 131.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L84 | G82-L84 PolarHBondContact O-N 3.28Å; G82-L84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | R | 41.3 | Very low | 38.3 | Very low | 210 Ų | 210 | 112.2 Ų | 112.2 | 79% | 0.792 | 59% | 0.593 | S | S | * | * | trans | -42.2 | 121.2 | -176.7 | -74.9 | 178.5 | 170.1 | 171.4 | -3.1 | 109.5 | F81 S85 | F81-R83 PolarHBondContact O-N 2.93Å; R83-S85 VanDerWaalsContact CB-OG 3.25Å; R83-S85 WeakPolarHBondContact CB-OG 3.39Å; R83-S85 PolarHBondContact O-N 2.99Å | ||
| 84 | L | 51.6 | Low | 38.5 | Very low | 18 Ų | 18 | 114.9 Ų | 114.9 | 9% | 0.094 | 60% | 0.595 | C | S | . | * | G | 310 helix | trans | -65.3 | 1.5 | 171.6 | -96.8 | 85.8 | 0 | 0 | 0 | 112.9 | G82 D86 L87 V156 I160 V175 L178 D179 | G82-L84 PolarHBondContact O-N 3.28Å; G82-L84 VanDerWaalsContact O-N 3.11Å; L84-D86 PolarHBondContact O-N 3.02Å; L84-L87 HydrophobicContact CD2-CD1 3.87Å; L84-L87 HydrophobicContact CG-CD1 3.99Å; L84-L87 PolarHBondContact O-N 3.49Å; L84-V156 HydrophobicContact CD1-CG1 4.15Å; L84-V156 HydrophobicContact CD2-CG1 3.63Å; L84-V156 HydrophobicContact CG-CG1 4.04Å; L84-I160 HydrophobicContact CD2-CD1 3.85Å; L84-V175 HydrophobicContact CD2-CG1 4.19Å; L84-L178 HydrophobicContact CD1-CD2 4.48Å; L84-L178 HydrophobicContact CD2-CD2 4.22Å; L84-D179 WeakPolarHBondContact CB-OD1 3.15Å |
| 85 | S | 45.8 | Very low | 38.6 | Very low | 50 Ų | 50 | 114.9 Ų | 114.9 | 35% | 0.35 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -51.5 | -24.7 | 175.9 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | R83 L87 E88 | R83-S85 VanDerWaalsContact CB-OG 3.25Å; R83-S85 WeakPolarHBondContact CB-OG 3.39Å; R83-S85 PolarHBondContact O-N 2.99Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.98Å; S85-E88 PolarHBondContact O-N 3.3Å |
| 86 | D | 43.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 113.6 Ų | 113.6 | 64% | 0.642 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -79.4 | -7.5 | -177.6 | -55.2 | -5.3 | 0 | 0 | 0 | 113.1 | L84 | L84-D86 PolarHBondContact O-N 3.02Š|
| 87 | L | 48.2 | Very low | 38.9 | Very low | 54 Ų | 54 | 112.8 Ų | 112.8 | 28% | 0.283 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -87.9 | -16.5 | 173.7 | -65.3 | 174.9 | 0 | 0 | 0 | 112.8 | L84 S85 D89 V156 | L84-L87 HydrophobicContact CD2-CD1 3.87Å; L84-L87 HydrophobicContact CG-CD1 3.99Å; L84-L87 PolarHBondContact O-N 3.49Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.98Å; L87-D89 VanDerWaalsContact C-N 3.32Å; L87-V156 HydrophobicContact CD1-CG1 4.24Å |
| 88 | E | 47.5 | Very low | 39 | Very low | 86 Ų | 86 | 111.9 Ų | 111.9 | 40% | 0.402 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -15.4 | 179.3 | -65.8 | -179.9 | 172.1 | 0 | 0 | 111.8 | S85 I92 K176 | S85-E88 PolarHBondContact O-N 3.3Å; E88-I92 WeakPolarHBondContact O-CD1 3.38Å; E88-K176 IonicContact OE1-NZ 2.87Å; E88-K176 PolarHBondContact OE1-NZ 3.12Å |
| 89 | D | 40.4 | Very low | 39.1 | Very low | 109 Ų | 109 | 111.5 Ų | 111.5 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -11.8 | -175.1 | -74.2 | -29.1 | 0 | 0 | 0 | 115.3 | L87 | L87-D89 VanDerWaalsContact C-N 3.32Š|
| 90 | E | 39.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 115.4 Ų | 115.4 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -24.4 | -179.1 | -68.6 | -154.1 | 152 | 0 | 0 | 114.3 | ||
| 91 | D | 39.6 | Very low | 38.5 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 3.1 | -177.8 | -69.5 | -24.2 | 0 | 0 | 0 | 113.7 | ||
| 92 | I | 38.3 | Very low | 38.2 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 72% | 0.723 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -3 | 179.7 | -61.1 | 175.9 | 0 | 0 | 0 | 112.7 | E88 | E88-I92 WeakPolarHBondContact O-CD1 3.38Š|
| 93 | K | 34.4 | Very low | 37.8 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -104.8 | 79.3 | 177.2 | -67.4 | 176.1 | -172.2 | 162 | 0 | 110.8 | ||
| 94 | T | 31.1 | Very low | 37.4 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 80% | 0.798 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 165.2 | 101 | 146.8 | 34.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 95 | N | 31.9 | Very low | 36.5 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | trans | 148.9 | 66.7 | 150.7 | -74.4 | -15.1 | 0 | 0 | 0 | 109.4 | ||||
| 96 | T | 29.7 | Very low | 35.9 | Very low | 144 Ų | 144 | 137 Ų | 137 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -91 | 94.1 | 159.7 | 10.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 97 | D | 34.7 | Very low | 35.3 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -108.2 | 135.9 | 159.2 | -78.2 | -35.1 | 0 | 0 | 0 | 108.3 | V99 | D97-V99 PolarHBondContact O-N 2.91Š| ||
| 98 | P | 30 | Very low | 34.5 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -79.6 | 120.7 | -174 | 31.5 | -31.4 | 0 | 0 | 0 | 109.8 | ||||
| 99 | V | 36.1 | Very low | 33.9 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -116.9 | 126.6 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | D97 | D97-V99 PolarHBondContact O-N 2.91Š| ||
| 100 | E | 33.6 | Very low | 33.4 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | -58.8 | 160.1 | -177.1 | -71.6 | -171.7 | 156.3 | 0 | 0 | 114.5 | V102 | E100-V102 PolarHBondContact O-N 2.97Š| ||
| 101 | P | 30.1 | Very low | 33.2 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -80.8 | 120.3 | -172.1 | 32.9 | -30.1 | 0 | 0 | 0 | 110.4 | ||||
| 102 | V | 34.2 | Very low | 33 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -132 | 109.6 | 174.6 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | E100 | E100-V102 PolarHBondContact O-N 2.97Š| ||
| 103 | D | 31.9 | Very low | 32.6 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | 34.5 | 128.6 | 150.8 | -129.6 | -20.7 | 0 | 0 | 0 | 122.3 | N105 | D103-N105 VanDerWaalsContact C-N 3.27Å; D103-N105 PolarHBondContact O-N 3.12Å | ||
| 104 | E | 33.5 | Very low | 32.5 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -77.9 | 33.7 | -169.7 | -63.7 | -176.4 | 148.2 | 0 | 0 | 115.6 | ||
| 105 | N | 32.4 | Very low | 32.7 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -140.2 | 78.6 | -177.5 | -67.5 | -62 | 0 | 0 | 0 | 112.6 | D103 | D103-N105 VanDerWaalsContact C-N 3.27Å; D103-N105 PolarHBondContact O-N 3.12Å | ||
| 106 | E | 33.3 | Very low | 32.8 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -153.6 | 101.4 | 154.5 | -113.8 | 165 | -150.5 | 0 | 0 | 112.3 | ||||
| 107 | D | 30.6 | Very low | 32.9 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -63.1 | 146.8 | 173.6 | -72.7 | -55.3 | 0 | 0 | 0 | 113.1 | ||||
| 108 | M | 31.5 | Very low | 33 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | 39.5 | 80.8 | 144.2 | -62.8 | -150.5 | -139.3 | 0 | 0 | 117.7 | ||||
| 109 | I | 35.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -130.1 | 112.7 | 153.1 | -54.9 | -179.9 | 0 | 0 | 0 | 108.9 | N111 | I109-N111 PolarHBondContact O-N 3.06Š| ||
| 110 | T | 31.2 | Very low | 33.6 | Very low | 120 Ų | 120 | 151 Ų | 151 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -48 | 124 | 170.7 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | L112 | T110-L112 PolarHBondContact O-N 3.01Š| ||
| 111 | N | 33.4 | Very low | 34.2 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -61.8 | 85 | 165 | -73.6 | -18.1 | 0 | 0 | 0 | 109.8 | I109 | I109-N111 PolarHBondContact O-N 3.06Š| ||
| 112 | L | 35.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -137.8 | 57.1 | 174.9 | -154.9 | 85.1 | 0 | 0 | 0 | 109.2 | T110 | T110-L112 PolarHBondContact O-N 3.01Š| ||
| 113 | A | 30.7 | Very low | 37.1 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -163.1 | 138.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 114 | S | 31.2 | Very low | 39.4 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 65.4 | 78.6 | 168.4 | 60.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 115 | E | 35.7 | Very low | 41.8 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -128.6 | 132.8 | 137.2 | -79.1 | -175.6 | 174.4 | 0 | 0 | 108.2 | ||||
| 116 | D | 34.1 | Very low | 44.4 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -54.2 | 142.4 | -167.3 | -63.9 | -59.9 | 0 | 0 | 0 | 113.6 | V118 | D116-V118 PolarHBondContact O-N 3.47Š| ||
| 117 | V | 31.8 | Very low | 47.1 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 86% | 0.855 | 71% | 0.71 | S | S | * | * | trans | -66 | 79.2 | 172.1 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | E119 | V117-E119 PolarHBondContact O-N 2.89Š| ||
| 118 | V | 37 | Very low | 49.9 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 70% | 0.703 | 68% | 0.676 | S | S | * | * | trans | -75.1 | 113.8 | 157.7 | -178.5 | 0 | 0 | 0 | 0 | 105.4 | D116 K120 | D116-V118 PolarHBondContact O-N 3.47Å; V118-K120 PolarHBondContact O-N 3.47Å | ||
| 119 | E | 33.2 | Very low | 52.6 | Low | 185 Ų | 185 | 113.9 Ų | 113.9 | 86% | 0.864 | 64% | 0.644 | S | S | * | * | trans | -54.7 | 83 | 171.3 | -71.2 | -178.5 | 153.7 | 0 | 0 | 109.9 | V117 S121 | V117-E119 PolarHBondContact O-N 2.89Å; E119-S121 VanDerWaalsContact C-N 3.35Å; E119-S121 PolarHBondContact O-N 2.83Å | ||
| 120 | K | 44.3 | Very low | 55.3 | Low | 161 Ų | 161 | 112.4 Ų | 112.4 | 70% | 0.7 | 63% | 0.633 | S | S | * | * | trans | -68.7 | 100.9 | 165.5 | -86.6 | -179 | 177.3 | 174.2 | 0 | 105.8 | V118 V122 | V118-K120 PolarHBondContact O-N 3.47Å; K120-V122 PolarHBondContact O-N 3.02Å | ||
| 121 | S | 47.8 | Very low | 58.2 | Low | 97 Ų | 97 | 110.6 Ų | 110.6 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | trans | -46.8 | 111.2 | 165.9 | 61.9 | 0 | 0 | 0 | 0 | 107.5 | E119 M123 | E119-S121 VanDerWaalsContact C-N 3.35Å; E119-S121 PolarHBondContact O-N 2.83Å; S121-M123 PolarHBondContact O-N 3.28Å | ||
| 122 | V | 58.1 | Low | 61 | Low | 145 Ų | 145 | 102.7 Ų | 102.7 | 88% | 0.879 | 57% | 0.571 | S | S | * | * | trans | -66.5 | 92.7 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 106 | K120 D124 | K120-V122 PolarHBondContact O-N 3.02Å; V122-D124 PolarHBondContact O-N 2.8Å | ||
| 123 | M | 65.8 | Low | 63.6 | Low | 69 Ų | 69 | 102.9 Ų | 102.9 | 34% | 0.34 | 56% | 0.561 | S | S | . | * | trans | -61.7 | 137.5 | 173.9 | -75.1 | -177.1 | -66.3 | 0 | 0 | 107.9 | S121 S125 L128 R131 | S121-M123 PolarHBondContact O-N 3.28Å; M123-S125 PolarHBondContact O-N 2.63Å; M123-L128 HydrophobicContact CE-CD1 4.45Å; M123-R131 PolarHBondContact SD-NH1 2.81Å; M123-R131 VanDerWaalsContact SD-NH1 3.4Å | ||
| 124 | D | 81.2 | Confident | 66.4 | Low | 95 Ų | 95 | 103.5 Ų | 103.5 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | trans | -53.8 | 138.1 | 175 | 179.4 | 26.1 | 0 | 0 | 0 | 110.6 | V122 S126 T127 L128 | V122-D124 PolarHBondContact O-N 2.8Å; D124-S126 PolarHBondContact O-N 3.2Å; D124-S126 VanDerWaalsContact O-N 3.12Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.43Å; D124-T127 HydrophobicContact CB-CG2 4.3Å; D124-T127 PolarHBondContact O-N 3.45Å; D124-T127 VanDerWaalsContact O-N 3.12Å; D124-T127 PolarHBondContact O-OG1 3.18Å; D124-L128 PolarHBondContact O-N 2.82Å | ||
| 125 | S | 83.1 | Confident | 69.2 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.5 | -33.6 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 111 | M123 N129 | M123-S125 PolarHBondContact O-N 2.63Å; S125-N129 WeakPolarHBondContact O-CB 3.48Å; S125-N129 PolarHBondContact O-N 2.94Å; S125-N129 PolarHBondContact O-ND2 3.32Å; S125-N129 PolarHBondContact OG-ND2 2.93Å |
| 126 | S | 87.4 | Confident | 71.7 | Confident | 56 Ų | 56 | 92.5 Ų | 92.5 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 178.9 | 83.3 | 0 | 0 | 0 | 0 | 112.6 | D124 L128 N129 Q130 | D124-S126 PolarHBondContact O-N 3.2Å; D124-S126 VanDerWaalsContact O-N 3.12Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.43Å; S126-L128 VanDerWaalsContact C-N 3.35Å; S126-N129 PolarHBondContact O-N 2.82Å; S126-Q130 WeakPolarHBondContact O-CG 3.32Å; S126-Q130 PolarHBondContact O-N 2.89Å |
| 127 | T | 89.3 | Confident | 74.3 | Confident | 64 Ų | 64 | 92 Ų | 92 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | D124 Q130 R131 | D124-T127 HydrophobicContact CB-CG2 4.3Å; D124-T127 PolarHBondContact O-N 3.45Å; D124-T127 VanDerWaalsContact O-N 3.12Å; D124-T127 PolarHBondContact O-OG1 3.18Å; T127-Q130 PolarHBondContact O-N 3.47Å; T127-R131 WeakPolarHBondContact O-CB 3.46Å; T127-R131 PolarHBondContact O-N 3.06Å |
| 128 | L | 89 | Confident | 76.9 | Confident | 11 Ų | 11 | 86.6 Ų | 86.6 | 6% | 0.058 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 175.8 | -158.8 | 167.1 | 0 | 0 | 0 | 111.2 | M123 D124 S126 Q130 R131 I132 D162 R166 | M123-L128 HydrophobicContact CE-CD1 4.45Å; D124-L128 PolarHBondContact O-N 2.82Å; S126-L128 VanDerWaalsContact C-N 3.35Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 2.85Å; L128-R131 PolarHBondContact O-N 3.23Å; L128-R131 VanDerWaalsContact O-N 3.14Å; L128-I132 HydrophobicContact CD2-CD1 3.3Å; L128-I132 HydrophobicContact CD2-CG1 3.9Å; L128-I132 WeakPolarHBondContact O-CG1 3.36Å; L128-I132 PolarHBondContact O-N 2.87Å; L128-D162 HydrophobicContact CD2-CB 4.1Å; L128-R166 HydrophobicContact CD2-CB 3.68Å; L128-R166 HydrophobicContact CD2-CG 4.29Å |
| 129 | N | 89.9 | Confident | 79.3 | Confident | 42 Ų | 42 | 81.2 Ų | 81.2 | 23% | 0.225 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.5 | -38 | 174.7 | -70.7 | -40.6 | 0 | 0 | 0 | 112.3 | S125 S126 R133 R166 | S125-N129 WeakPolarHBondContact O-CB 3.48Å; S125-N129 PolarHBondContact O-N 2.94Å; S125-N129 PolarHBondContact O-ND2 3.32Å; S125-N129 PolarHBondContact OG-ND2 2.93Å; S126-N129 PolarHBondContact O-N 2.82Å; N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.48Å; N129-R133 VanDerWaalsContact O-N 3.15Å; N129-R166 WeakPolarHBondContact OD1-CD 3.4Å; N129-R166 PolarHBondContact OD1-NE 2.83Å |
| 130 | Q | 91.5 | Very high | 81.8 | Confident | 120 Ų | 120 | 75.7 Ų | 75.7 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.1 | -43.3 | 174.3 | -73.6 | 174.8 | 2.8 | 0 | 0 | 111.6 | S126 T127 L128 R133 N134 | S126-Q130 WeakPolarHBondContact O-CG 3.32Å; S126-Q130 PolarHBondContact O-N 2.89Å; T127-Q130 PolarHBondContact O-N 3.47Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 2.85Å; Q130-R133 PolarHBondContact O-N 2.91Å; Q130-N134 PolarHBondContact O-N 2.96Å; Q130-N134 PolarHBondContact O-ND2 3.41Å; Q130-N134 PolarHBondContact O-OD1 3.07Å |
| 131 | R | 92 | Very high | 83.7 | Confident | 83 Ų | 83 | 70.4 Ų | 70.4 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.9 | -169 | 164.3 | 81.5 | -177.5 | 6.1 | 112.1 | M123 T127 L128 R133 N134 W135 D162 | M123-R131 PolarHBondContact SD-NH1 2.81Å; M123-R131 VanDerWaalsContact SD-NH1 3.4Å; T127-R131 WeakPolarHBondContact O-CB 3.46Å; T127-R131 PolarHBondContact O-N 3.06Å; L128-R131 PolarHBondContact O-N 3.23Å; L128-R131 VanDerWaalsContact O-N 3.14Å; R131-R133 PolarHBondContact O-N 3.1Å; R131-N134 PolarHBondContact O-N 2.81Å; R131-W135 VanDerWaalsContact CG-NE1 3.34Å; R131-W135 PolarHBondContact O-N 2.86Å; R131-D162 WeakPolarHBondContact CG-OD2 3.28Å; R131-D162 IonicContact CZ-OD1 3.32Å; R131-D162 VanDerWaalsContact CZ-OD1 3.28Å; R131-D162 IonicContact CZ-OD2 3.27Å; R131-D162 VanDerWaalsContact NE-CG 3.31Å; R131-D162 IonicContact NE-OD1 3.33Å; R131-D162 PolarHBondContact NE-OD1 3.03Å; R131-D162 IonicContact NE-OD2 2.58Å; R131-D162 PolarHBondContact NE-OD2 2.94Å; R131-D162 IonicContact NH2-OD1 2.6Å; R131-D162 PolarHBondContact NH2-OD1 3.27Å; R131-D162 IonicContact NH2-OD2 3.28Å |
| 132 | I | 91.4 | Very high | 85.5 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.2 | -48.7 | 174.2 | -69.8 | 165.2 | 0 | 0 | 0 | 110.9 | L128 N134 W135 L136 L159 D162 L163 R166 V186 | L128-I132 HydrophobicContact CD2-CD1 3.3Å; L128-I132 HydrophobicContact CD2-CG1 3.9Å; L128-I132 WeakPolarHBondContact O-CG1 3.36Å; L128-I132 PolarHBondContact O-N 2.87Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.37Å; I132-W135 PolarHBondContact O-N 3.18Å; I132-L136 HydrophobicContact CG2-CD1 3.8Å; I132-L136 HydrophobicContact CG2-CG 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.44Å; I132-L136 PolarHBondContact O-N 3.14Å; I132-L159 HydrophobicContact CG2-CD1 4.07Å; I132-D162 HydrophobicContact CD1-CB 4.28Å; I132-D162 HydrophobicContact CG1-CB 3.71Å; I132-L163 HydrophobicContact CD1-CD2 3.94Å; I132-L163 HydrophobicContact CG1-CD2 4.23Å; I132-L163 HydrophobicContact CG2-CD2 3.82Å; I132-R166 HydrophobicContact CD1-CB 3.97Å; I132-R166 HydrophobicContact CD1-CG 4.12Å; I132-V186 HydrophobicContact CG2-CG2 3.75Å |
| 133 | R | 90.6 | Very high | 86.6 | Confident | 164 Ų | 164 | 69.2 Ų | 69.2 | 62% | 0.619 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 179.7 | -72.7 | 177.8 | -175 | -155.7 | -0.5 | 112.3 | N129 Q130 R131 L136 Y137 | N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.48Å; N129-R133 VanDerWaalsContact O-N 3.15Å; Q130-R133 PolarHBondContact O-N 2.91Å; R131-R133 PolarHBondContact O-N 3.1Å; R133-L136 PolarHBondContact O-N 2.83Å; R133-Y137 WeakPolarHBondContact O-CB 3.22Å; R133-Y137 PolarHBondContact O-N 3.37Å |
| 134 | N | 89.9 | Confident | 87.5 | Confident | 100 Ų | 100 | 72.1 Ų | 72.1 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.5 | -68.8 | -12.3 | 0 | 0 | 0 | 111.2 | Q130 R131 I132 Y137 I138 | Q130-N134 PolarHBondContact O-N 2.96Å; Q130-N134 PolarHBondContact O-ND2 3.41Å; Q130-N134 PolarHBondContact O-OD1 3.07Å; R131-N134 PolarHBondContact O-N 2.81Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.37Å; N134-Y137 WeakPolarHBondContact O-CB 3.44Å; N134-Y137 PolarHBondContact O-N 3.17Å; N134-I138 WeakPolarHBondContact O-CG1 3.25Å; N134-I138 PolarHBondContact O-N 3.15Å |
| 135 | W | 89.3 | Confident | 87.6 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.1 | -70.9 | 137.2 | 0 | 0 | 0 | 112.6 | R131 I132 Y137 I138 L139 L150 C155 T158 L159 D162 | R131-W135 VanDerWaalsContact CG-NE1 3.34Å; R131-W135 PolarHBondContact O-N 2.86Å; I132-W135 PolarHBondContact O-N 3.18Å; W135-Y137 VanDerWaalsContact C-N 3.3Å; W135-Y137 PolarHBondContact O-N 3.49Å; W135-I138 HydrophobicContact CE3-CD1 4.01Å; W135-I138 HydrophobicContact CZ3-CD1 4Å; W135-I138 PolarHBondContact O-N 3.34Å; W135-L139 VanDerWaalsContact O-CB 3.3Å; W135-L139 WeakPolarHBondContact O-CB 3.11Å; W135-L139 VanDerWaalsContact O-CG 3.27Å; W135-L139 WeakPolarHBondContact O-CG 3.39Å; W135-L139 PolarHBondContact O-N 2.89Å; W135-L150 HydrophobicContact CH2-CD2 4.14Å; W135-L150 HydrophobicContact CZ3-CD2 3.68Å; W135-C155 HydrophobicContact CE3-CB 4.27Å; W135-C155 HydrophobicContact CZ3-CB 4.38Å; W135-T158 HydrophobicContact CZ2-CG2 4.15Å; W135-L159 HydrophobicContact CB-CB 4.21Å; W135-L159 HydrophobicContact CB-CD1 3.97Å; W135-L159 HydrophobicContact CG-CB 4.46Å; W135-D162 PolarHBondContact NE1-OD2 3.33Å |
| 136 | L | 89.3 | Confident | 87.4 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.8 | -68.6 | 167.7 | 0 | 0 | 0 | 111.8 | I132 R133 L139 S140 L159 I185 V186 | I132-L136 HydrophobicContact CG2-CD1 3.8Å; I132-L136 HydrophobicContact CG2-CG 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.44Å; I132-L136 PolarHBondContact O-N 3.14Å; R133-L136 PolarHBondContact O-N 2.83Å; L136-L139 PolarHBondContact O-N 3.38Å; L136-S140 VanDerWaalsContact O-CB 3.32Å; L136-S140 WeakPolarHBondContact O-CB 3.29Å; L136-S140 PolarHBondContact O-N 3.01Å; L136-S140 PolarHBondContact O-OG 3.46Å; L136-L159 HydrophobicContact CD2-CD1 4.48Å; L136-L159 HydrophobicContact CD2-CD2 3.9Å; L136-L159 HydrophobicContact CG-CD1 4.35Å; L136-I185 HydrophobicContact CD1-CG2 4.42Å; L136-I185 HydrophobicContact CD2-CG2 3.83Å; L136-V186 HydrophobicContact CD1-CB 4.42Å; L136-V186 HydrophobicContact CD1-CG2 3.33Å |
| 137 | Y | 87.9 | Confident | 87.1 | Confident | 141 Ų | 141 | 71 Ų | 71 | 55% | 0.553 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 175.2 | -179.4 | -99.9 | 0 | 0 | 0 | 111.9 | R133 N134 W135 S140 R145 | R133-Y137 WeakPolarHBondContact O-CB 3.22Å; R133-Y137 PolarHBondContact O-N 3.37Å; N134-Y137 WeakPolarHBondContact O-CB 3.44Å; N134-Y137 PolarHBondContact O-N 3.17Å; W135-Y137 VanDerWaalsContact C-N 3.3Å; W135-Y137 PolarHBondContact O-N 3.49Å; Y137-S140 PolarHBondContact O-OG 3.43Å; Y137-R145 HydrophobicContact CE1-CG 4.27Å; Y137-R145 VanDerWaalsContact CE2-CZ 3.49Å; Y137-R145 WeakPolarHBondContact O-CD 3.24Å; Y137-R145 PolarHBondContact O-NH1 3.36Å |
| 138 | I | 87.7 | Confident | 86.3 | Confident | 27 Ų | 27 | 73 Ų | 73 | 14% | 0.138 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 176.9 | -66.9 | 165.4 | 0 | 0 | 0 | 110.9 | N134 W135 S140 D141 F142 A146 | N134-I138 WeakPolarHBondContact O-CG1 3.25Å; N134-I138 PolarHBondContact O-N 3.15Å; W135-I138 HydrophobicContact CE3-CD1 4.01Å; W135-I138 HydrophobicContact CZ3-CD1 4Å; W135-I138 PolarHBondContact O-N 3.34Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3Å; I138-D141 CarbonylContact O-C 3.22Å; I138-D141 PolarHBondContact O-N 2.99Å; I138-F142 HydrophobicContact CG2-CD2 4.13Å; I138-F142 HydrophobicContact CG2-CE2 4.4Å; I138-F142 VanDerWaalsContact O-CA 3.28Å; I138-F142 WeakPolarHBondContact O-CA 3.46Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.14Å; I138-A146 HydrophobicContact CG2-CB 4.28Å |
| 139 | L | 87.2 | Confident | 85.8 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.4 | -26.7 | -176 | -71.6 | 169.4 | 0 | 0 | 0 | 113.3 | F81 W135 L136 D141 F142 R152 C155 V156 L159 | F81-L139 HydrophobicContact CE1-CB 3.81Å; F81-L139 HydrophobicContact CZ-CB 3.89Å; W135-L139 VanDerWaalsContact O-CB 3.3Å; W135-L139 WeakPolarHBondContact O-CB 3.11Å; W135-L139 VanDerWaalsContact O-CG 3.27Å; W135-L139 WeakPolarHBondContact O-CG 3.39Å; W135-L139 PolarHBondContact O-N 2.89Å; L136-L139 PolarHBondContact O-N 3.38Å; L139-D141 PolarHBondContact O-N 3.41Å; L139-F142 HydrophobicContact CD2-CD2 4.2Å; L139-R152 HydrophobicContact CD2-CG 4.11Å; L139-C155 HydrophobicContact CD2-CB 4Å; L139-C155 HydrophobicContact CG-CB 4.5Å; L139-V156 HydrophobicContact CD1-CG2 4.2Å; L139-V156 HydrophobicContact CD2-CG2 3.92Å; L139-L159 HydrophobicContact CD1-CB 4.5Å; L139-L159 HydrophobicContact CD1-CD2 3.61Å |
| 140 | S | 85.2 | Confident | 85.4 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65 | -25.4 | 175.8 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | L136 Y137 I138 R145 | L136-S140 VanDerWaalsContact O-CB 3.32Å; L136-S140 WeakPolarHBondContact O-CB 3.29Å; L136-S140 PolarHBondContact O-N 3.01Å; L136-S140 PolarHBondContact O-OG 3.46Å; Y137-S140 PolarHBondContact O-OG 3.43Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3Å; S140-R145 PolarHBondContact OG-NH1 3.22Å |
| 141 | D | 85.1 | Confident | 85.1 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.5 | 72 | 173 | -175.3 | 2.6 | 0 | 0 | 0 | 109.5 | I138 L139 K143 N144 R145 | I138-D141 CarbonylContact O-C 3.22Å; I138-D141 PolarHBondContact O-N 2.99Å; L139-D141 PolarHBondContact O-N 3.41Å; D141-K143 PolarHBondContact O-N 2.84Å; D141-N144 PolarHBondContact O-N 3.4Å; D141-N144 PolarHBondContact OD1-N 3.31Å; D141-N144 PolarHBondContact OD1-ND2 3.45Å; D141-N144 WeakPolarHBondContact OD2-CB 3.23Å; D141-N144 PolarHBondContact OD2-ND2 3.08Å; D141-R145 HydrophobicContact CB-CG 4.27Å; D141-R145 VanDerWaalsContact O-CB 3.26Å; D141-R145 WeakPolarHBondContact O-CB 3.41Å; D141-R145 WeakPolarHBondContact O-CG 3.06Å; D141-R145 PolarHBondContact O-N 3.38Å |
| 142 | F | 84.5 | Confident | 84.8 | Confident | 42 Ų | 42 | 78.8 Ų | 78.8 | 18% | 0.184 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60 | -35.8 | -173.6 | -167.5 | -95.1 | 0 | 0 | 0 | 112 | I138 L139 N144 A146 L150 R152 | I138-F142 HydrophobicContact CG2-CD2 4.13Å; I138-F142 HydrophobicContact CG2-CE2 4.4Å; I138-F142 VanDerWaalsContact O-CA 3.28Å; I138-F142 WeakPolarHBondContact O-CA 3.46Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.14Å; L139-F142 HydrophobicContact CD2-CD2 4.2Å; F142-N144 VanDerWaalsContact C-N 3.34Å; F142-N144 PolarHBondContact O-N 3.26Å; F142-A146 HydrophobicContact CD1-CB 3.95Å; F142-A146 HydrophobicContact CD2-CB 3.8Å; F142-A146 HydrophobicContact CE1-CB 3.77Å; F142-A146 HydrophobicContact CE2-CB 3.62Å; F142-A146 HydrophobicContact CG-CB 3.96Å; F142-A146 HydrophobicContact CZ-CB 3.6Å; F142-A146 WeakPolarHBondContact O-CB 3.3Å; F142-A146 PolarHBondContact O-N 3.22Å; F142-L150 WeakPolarHBondContact CZ-O 3.24Å; F142-R152 HydrophobicContact CD1-CB 4.46Å; F142-R152 HydrophobicContact CD2-CB 4.34Å; F142-R152 HydrophobicContact CD2-CG 4.21Å; F142-R152 HydrophobicContact CE1-CB 4.03Å; F142-R152 HydrophobicContact CE2-CB 3.9Å; F142-R152 HydrophobicContact CE2-CG 4.2Å; F142-R152 HydrophobicContact CG-CG 4.48Å; F142-R152 HydrophobicContact CZ-CB 3.73Å; F142-R152 HydrophobicContact CZ-CG 4.47Å |
| 143 | K | 81.2 | Confident | 84.6 | Confident | 175 Ų | 175 | 80.9 Ų | 80.9 | 76% | 0.761 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | -176.8 | -68.8 | 179 | -177.5 | 168.5 | 0 | 112.4 | D141 | D141-K143 PolarHBondContact O-N 2.84Å |
| 144 | N | 84.4 | Confident | 84.5 | Confident | 130 Ų | 130 | 78 Ų | 78 | 70% | 0.695 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -98.3 | -19 | -176.3 | -61.4 | -42.7 | 0 | 0 | 0 | 113.6 | D141 F142 | D141-N144 PolarHBondContact O-N 3.4Å; D141-N144 PolarHBondContact OD1-N 3.31Å; D141-N144 PolarHBondContact OD1-ND2 3.45Å; D141-N144 WeakPolarHBondContact OD2-CB 3.23Å; D141-N144 PolarHBondContact OD2-ND2 3.08Å; F142-N144 VanDerWaalsContact C-N 3.34Å; F142-N144 PolarHBondContact O-N 3.26Å |
| 145 | R | 83.2 | Confident | 84.5 | Confident | 88 Ų | 88 | 73.3 Ų | 73.3 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -114.2 | -17.4 | -170 | -59 | 176.9 | -177.9 | 172.6 | 9.2 | 114.4 | Y137 S140 D141 | Y137-R145 HydrophobicContact CE1-CG 4.27Å; Y137-R145 VanDerWaalsContact CE2-CZ 3.49Å; Y137-R145 WeakPolarHBondContact O-CD 3.24Å; Y137-R145 PolarHBondContact O-NH1 3.36Å; S140-R145 PolarHBondContact OG-NH1 3.22Å; D141-R145 HydrophobicContact CB-CG 4.27Å; D141-R145 VanDerWaalsContact O-CB 3.26Å; D141-R145 WeakPolarHBondContact O-CB 3.41Å; D141-R145 WeakPolarHBondContact O-CG 3.06Å; D141-R145 PolarHBondContact O-N 3.38Å |
| 146 | A | 78.6 | Confident | 84.5 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -72.6 | 134 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I138 F142 | I138-A146 HydrophobicContact CG2-CB 4.28Å; F142-A146 HydrophobicContact CD1-CB 3.95Å; F142-A146 HydrophobicContact CD2-CB 3.8Å; F142-A146 HydrophobicContact CE1-CB 3.77Å; F142-A146 HydrophobicContact CE2-CB 3.62Å; F142-A146 HydrophobicContact CG-CB 3.96Å; F142-A146 HydrophobicContact CZ-CB 3.6Å; F142-A146 WeakPolarHBondContact O-CB 3.3Å; F142-A146 PolarHBondContact O-N 3.22Å |
| 147 | P | 81.1 | Confident | 84.7 | Confident | 72 Ų | 72 | 76.3 Ų | 76.3 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | trans | -56.9 | 148 | 162.4 | -19.3 | 31.1 | 0 | 0 | 0 | 110.4 | D149 L150 | P147-D149 PolarHBondContact O-N 3.34Å; P147-L150 HydrophobicContact CG-CD2 4.45Å; P147-L150 PolarHBondContact O-N 2.93Å; P147-L150 VanDerWaalsContact O-N 3.14Å | ||
| 148 | A | 74.2 | Confident | 84.8 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 87% | 0.868 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 149 | D | 77.8 | Confident | 85.1 | Confident | 160 Ų | 160 | 70.1 Ų | 70.1 | 86% | 0.856 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.9 | -174.2 | -56 | -40 | 0 | 0 | 0 | 114 | P147 | P147-D149 PolarHBondContact O-N 3.34Š|
| 150 | L | 81.1 | Confident | 85.3 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | trans | -94.8 | 126.8 | -174.5 | -124.1 | 70.3 | 0 | 0 | 0 | 112.3 | W135 F142 P147 C155 | W135-L150 HydrophobicContact CH2-CD2 4.14Å; W135-L150 HydrophobicContact CZ3-CD2 3.68Å; F142-L150 WeakPolarHBondContact CZ-O 3.24Å; P147-L150 HydrophobicContact CG-CD2 4.45Å; P147-L150 PolarHBondContact O-N 2.93Å; P147-L150 VanDerWaalsContact O-N 3.14Å; L150-C155 WeakPolarHBondContact CD2-SG 3.38Å | ||
| 151 | N | 85.4 | Confident | 85.7 | Confident | 98 Ų | 98 | 70 Ų | 70 | 52% | 0.524 | 38% | 0.375 | S | S | . | . | trans | -85.4 | 130.6 | 170.5 | -168.6 | -13.4 | 0 | 0 | 0 | 110.4 | S153 L154 C155 | N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 VanDerWaalsContact CG-OG 3.28Å; N151-S153 PolarHBondContact ND2-OG 3.09Å; N151-S153 PolarHBondContact O-N 3.3Å; N151-S153 PolarHBondContact OD1-N 3.34Å; N151-S153 PolarHBondContact OD1-OG 3.04Å; N151-L154 HydrophobicContact CB-CB 4.33Å; N151-L154 PolarHBondContact O-N 3.45Å; N151-C155 PolarHBondContact O-N 2.91Å; N151-C155 PolarHBondContact O-SG 3.46Å | ||
| 152 | R | 86.3 | Confident | 86 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 178.6 | -172.5 | 176 | 178.9 | 134.9 | 2.7 | 112 | D80 L139 F142 L154 C155 V156 | D80-R152 PolarHBondContact O-NH1 3.42Å; D80-R152 PolarHBondContact O-NH2 3.26Å; L139-R152 HydrophobicContact CD2-CG 4.11Å; F142-R152 HydrophobicContact CD1-CB 4.46Å; F142-R152 HydrophobicContact CD2-CB 4.34Å; F142-R152 HydrophobicContact CD2-CG 4.21Å; F142-R152 HydrophobicContact CE1-CB 4.03Å; F142-R152 HydrophobicContact CE2-CB 3.9Å; F142-R152 HydrophobicContact CE2-CG 4.2Å; F142-R152 HydrophobicContact CG-CG 4.48Å; F142-R152 HydrophobicContact CZ-CB 3.73Å; F142-R152 HydrophobicContact CZ-CG 4.47Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.07Å; R152-C155 WeakPolarHBondContact O-CB 3.38Å; R152-C155 PolarHBondContact O-N 2.99Å; R152-V156 HydrophobicContact CG-CG2 4.48Å; R152-V156 WeakPolarHBondContact O-CG2 3.46Å; R152-V156 PolarHBondContact O-N 2.95Å |
| 153 | S | 86.6 | Confident | 86.4 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | -179.7 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | N151 V156 R157 | N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 VanDerWaalsContact CG-OG 3.28Å; N151-S153 PolarHBondContact ND2-OG 3.09Å; N151-S153 PolarHBondContact O-N 3.3Å; N151-S153 PolarHBondContact OD1-N 3.34Å; N151-S153 PolarHBondContact OD1-OG 3.04Å; S153-V156 PolarHBondContact O-N 2.84Å; S153-R157 WeakPolarHBondContact O-CG 3.18Å; S153-R157 PolarHBondContact O-N 3.29Å |
| 154 | L | 88.7 | Confident | 87 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.7 | -175.2 | 65.6 | 0 | 0 | 0 | 111.7 | N151 R152 V156 R157 T158 | N151-L154 HydrophobicContact CB-CB 4.33Å; N151-L154 PolarHBondContact O-N 3.45Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.07Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-R157 PolarHBondContact O-N 2.89Å; L154-T158 WeakPolarHBondContact O-CB 3.49Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 3.32Å |
| 155 | C | 89.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.9 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | W135 L139 L150 N151 R152 T158 L159 | W135-C155 HydrophobicContact CE3-CB 4.27Å; W135-C155 HydrophobicContact CZ3-CB 4.38Å; L139-C155 HydrophobicContact CD2-CB 4Å; L139-C155 HydrophobicContact CG-CB 4.5Å; L150-C155 WeakPolarHBondContact CD2-SG 3.38Å; N151-C155 PolarHBondContact O-N 2.91Å; N151-C155 PolarHBondContact O-SG 3.46Å; R152-C155 WeakPolarHBondContact O-CB 3.38Å; R152-C155 PolarHBondContact O-N 2.99Å; C155-T158 PolarHBondContact O-N 3.49Å; C155-L159 WeakPolarHBondContact O-CB 3.48Å; C155-L159 PolarHBondContact O-N 2.59Å |
| 156 | V | 90.4 | Very high | 87.7 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 178.8 | 172.3 | 0 | 0 | 0 | 0 | 111 | L84 L87 L139 R152 S153 L154 T158 L159 I160 L178 | L84-V156 HydrophobicContact CD1-CG1 4.15Å; L84-V156 HydrophobicContact CD2-CG1 3.63Å; L84-V156 HydrophobicContact CG-CG1 4.04Å; L87-V156 HydrophobicContact CD1-CG1 4.24Å; L139-V156 HydrophobicContact CD1-CG2 4.2Å; L139-V156 HydrophobicContact CD2-CG2 3.92Å; R152-V156 HydrophobicContact CG-CG2 4.48Å; R152-V156 WeakPolarHBondContact O-CG2 3.46Å; R152-V156 PolarHBondContact O-N 2.95Å; S153-V156 PolarHBondContact O-N 2.84Å; L154-V156 VanDerWaalsContact C-N 3.34Å; V156-T158 VanDerWaalsContact C-N 3.32Å; V156-T158 PolarHBondContact O-N 2.9Å; V156-L159 PolarHBondContact O-N 3.2Å; V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 3.05Å; V156-L178 HydrophobicContact CG1-CD2 4.34Å |
| 157 | R | 92.1 | Very high | 88.3 | Confident | 133 Ų | 133 | 53.7 Ų | 53.7 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 176.1 | -75.7 | -179.1 | 65.7 | 148.3 | 4.4 | 112.4 | S153 L154 I160 S161 | S153-R157 WeakPolarHBondContact O-CG 3.18Å; S153-R157 PolarHBondContact O-N 3.29Å; L154-R157 PolarHBondContact O-N 2.89Å; R157-I160 PolarHBondContact O-N 2.83Å; R157-S161 PolarHBondContact O-N 3.19Å |
| 158 | T | 91.6 | Very high | 88.8 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 23% | 0.233 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 177.6 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | W135 L154 C155 V156 I160 S161 D162 | W135-T158 HydrophobicContact CZ2-CG2 4.15Å; L154-T158 WeakPolarHBondContact O-CB 3.49Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 3.32Å; C155-T158 PolarHBondContact O-N 3.49Å; V156-T158 VanDerWaalsContact C-N 3.32Å; V156-T158 PolarHBondContact O-N 2.9Å; T158-I160 VanDerWaalsContact C-N 3.34Å; T158-I160 PolarHBondContact O-N 2.81Å; T158-S161 WeakPolarHBondContact O-CB 3.34Å; T158-S161 PolarHBondContact O-N 2.95Å; T158-D162 PolarHBondContact O-N 2.98Å |
| 159 | L | 92.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -45.7 | 174.9 | 173.8 | 64.4 | 0 | 0 | 0 | 111.6 | I132 W135 L136 L139 C155 V156 S161 D162 L163 L178 | I132-L159 HydrophobicContact CG2-CD1 4.07Å; W135-L159 HydrophobicContact CB-CB 4.21Å; W135-L159 HydrophobicContact CB-CD1 3.97Å; W135-L159 HydrophobicContact CG-CB 4.46Å; L136-L159 HydrophobicContact CD2-CD1 4.48Å; L136-L159 HydrophobicContact CD2-CD2 3.9Å; L136-L159 HydrophobicContact CG-CD1 4.35Å; L139-L159 HydrophobicContact CD1-CB 4.5Å; L139-L159 HydrophobicContact CD1-CD2 3.61Å; C155-L159 WeakPolarHBondContact O-CB 3.48Å; C155-L159 PolarHBondContact O-N 2.59Å; V156-L159 PolarHBondContact O-N 3.2Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 2.85Å; L159-D162 WeakPolarHBondContact O-CB 3.5Å; L159-D162 PolarHBondContact O-N 3.22Å; L159-L163 HydrophobicContact CD1-CD1 3.89Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CD2-CD1 4.46Å; L159-L163 HydrophobicContact CG-CD1 3.84Å; L159-L163 HydrophobicContact CG-CG 4.33Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.35Å; L159-L163 PolarHBondContact O-N 3.3Å; L159-L178 HydrophobicContact CD2-CD1 4.43Å |
| 160 | I | 92.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.1 | -69.5 | 162.4 | 0 | 0 | 0 | 110.3 | L84 V156 R157 T158 D162 L163 C164 Q171 M174 V175 L178 | L84-I160 HydrophobicContact CD2-CD1 3.85Å; V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 3.05Å; R157-I160 PolarHBondContact O-N 2.83Å; T158-I160 VanDerWaalsContact C-N 3.34Å; T158-I160 PolarHBondContact O-N 2.81Å; I160-D162 VanDerWaalsContact C-N 3.28Å; I160-D162 PolarHBondContact O-N 3.31Å; I160-L163 PolarHBondContact O-N 3.43Å; I160-C164 WeakPolarHBondContact O-CB 3.38Å; I160-C164 PolarHBondContact O-N 3.2Å; I160-C164 PolarHBondContact O-SG 3.18Å; I160-Q171 HydrophobicContact CG2-CG 4.02Å; I160-M174 HydrophobicContact CG2-CB 4.33Å; I160-M174 HydrophobicContact CG2-CG 4.03Å; I160-V175 HydrophobicContact CD1-CG2 3.91Å; I160-L178 HydrophobicContact CD1-CD2 4.33Å; I160-L178 HydrophobicContact CG1-CD2 4.05Å |
| 161 | S | 92.7 | Very high | 90.8 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -40 | 177.3 | -165.3 | 0 | 0 | 0 | 0 | 112.4 | R157 T158 L159 S165 | R157-S161 PolarHBondContact O-N 3.19Å; T158-S161 WeakPolarHBondContact O-CB 3.34Å; T158-S161 PolarHBondContact O-N 2.95Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 2.85Å; S161-S165 WeakPolarHBondContact O-CB 3.16Å; S161-S165 PolarHBondContact O-N 3.43Å; S161-S165 PolarHBondContact O-OG 3.33Å |
| 162 | D | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 177.8 | -65.1 | -5.8 | 0 | 0 | 0 | 111.6 | L128 R131 I132 W135 T158 L159 I160 C164 S165 R166 | L128-D162 HydrophobicContact CD2-CB 4.1Å; R131-D162 WeakPolarHBondContact CG-OD2 3.28Å; R131-D162 IonicContact CZ-OD1 3.32Å; R131-D162 VanDerWaalsContact CZ-OD1 3.28Å; R131-D162 IonicContact CZ-OD2 3.27Å; R131-D162 VanDerWaalsContact NE-CG 3.31Å; R131-D162 IonicContact NE-OD1 3.33Å; R131-D162 PolarHBondContact NE-OD1 3.03Å; R131-D162 IonicContact NE-OD2 2.58Å; R131-D162 PolarHBondContact NE-OD2 2.94Å; R131-D162 IonicContact NH2-OD1 2.6Å; R131-D162 PolarHBondContact NH2-OD1 3.27Å; R131-D162 IonicContact NH2-OD2 3.28Å; I132-D162 HydrophobicContact CD1-CB 4.28Å; I132-D162 HydrophobicContact CG1-CB 3.71Å; W135-D162 PolarHBondContact NE1-OD2 3.33Å; T158-D162 PolarHBondContact O-N 2.98Å; L159-D162 WeakPolarHBondContact O-CB 3.5Å; L159-D162 PolarHBondContact O-N 3.22Å; I160-D162 VanDerWaalsContact C-N 3.28Å; I160-D162 PolarHBondContact O-N 3.31Å; D162-C164 VanDerWaalsContact C-N 3.35Å; D162-C164 PolarHBondContact O-N 2.64Å; D162-S165 PolarHBondContact O-N 3.24Å; D162-R166 WeakPolarHBondContact O-CB 3.36Å; D162-R166 PolarHBondContact O-N 3.37Å |
| 163 | L | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 178.7 | -69.1 | 170.7 | 0 | 0 | 0 | 111.2 | I132 L159 I160 S165 R166 Y167 M174 I185 V186 L189 | I132-L163 HydrophobicContact CD1-CD2 3.94Å; I132-L163 HydrophobicContact CG1-CD2 4.23Å; I132-L163 HydrophobicContact CG2-CD2 3.82Å; L159-L163 HydrophobicContact CD1-CD1 3.89Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CD2-CD1 4.46Å; L159-L163 HydrophobicContact CG-CD1 3.84Å; L159-L163 HydrophobicContact CG-CG 4.33Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.35Å; L159-L163 PolarHBondContact O-N 3.3Å; I160-L163 PolarHBondContact O-N 3.43Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 3.1Å; L163-R166 PolarHBondContact O-N 3.34Å; L163-Y167 HydrophobicContact CD2-CD2 4.31Å; L163-Y167 HydrophobicContact CD2-CE2 4.09Å; L163-Y167 PolarHBondContact O-N 3.46Å; L163-M174 HydrophobicContact CB-CE 3.62Å; L163-M174 HydrophobicContact CB-CG 4.06Å; L163-M174 HydrophobicContact CB-SD 3.53Å; L163-M174 VanDerWaalsContact CB-SD 3.53Å; L163-M174 HydrophobicContact CD1-CG 4.43Å; L163-M174 HydrophobicContact CD1-SD 3.72Å; L163-M174 HydrophobicContact CG-SD 4.22Å; L163-I185 HydrophobicContact CD1-CG1 4.09Å; L163-I185 HydrophobicContact CD1-CG2 4.49Å; L163-V186 HydrophobicContact CD2-CG2 4.45Å; L163-L189 HydrophobicContact CD2-CD1 3.84Å |
| 164 | C | 93.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.3 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | I160 D162 R166 S168 Y169 M174 | I160-C164 WeakPolarHBondContact O-CB 3.38Å; I160-C164 PolarHBondContact O-N 3.2Å; I160-C164 PolarHBondContact O-SG 3.18Å; D162-C164 VanDerWaalsContact C-N 3.35Å; D162-C164 PolarHBondContact O-N 2.64Å; C164-R166 VanDerWaalsContact C-N 3.34Å; C164-R166 PolarHBondContact O-N 2.78Å; C164-S168 VanDerWaalsContact O-CA 3.24Å; C164-S168 WeakPolarHBondContact O-CA 3.3Å; C164-S168 PolarHBondContact O-N 3.46Å; C164-Y169 WeakPolarHBondContact CB-O 3.48Å; C164-Y169 PolarHBondContact SG-O 3.38Å; C164-M174 VanDerWaalsContact SG-CB 3.59Å |
| 165 | S | 91.7 | Very high | 92 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.3 | -31.6 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | S161 D162 L163 | S161-S165 WeakPolarHBondContact O-CB 3.16Å; S161-S165 PolarHBondContact O-N 3.43Å; S161-S165 PolarHBondContact O-OG 3.33Å; D162-S165 PolarHBondContact O-N 3.24Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 3.1Å |
| 166 | R | 90.9 | Very high | 92.2 | Very high | 75 Ų | 75 | 53.5 Ų | 53.5 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -80.3 | -43.1 | -177.4 | 177.8 | 55.3 | -174.8 | 80.7 | 6.3 | 114.2 | L128 N129 I132 D162 L163 C164 | L128-R166 HydrophobicContact CD2-CB 3.68Å; L128-R166 HydrophobicContact CD2-CG 4.29Å; N129-R166 WeakPolarHBondContact OD1-CD 3.4Å; N129-R166 PolarHBondContact OD1-NE 2.83Å; I132-R166 HydrophobicContact CD1-CB 3.97Å; I132-R166 HydrophobicContact CD1-CG 4.12Å; D162-R166 WeakPolarHBondContact O-CB 3.36Å; D162-R166 PolarHBondContact O-N 3.37Å; L163-R166 PolarHBondContact O-N 3.34Å; C164-R166 VanDerWaalsContact C-N 3.34Å; C164-R166 PolarHBondContact O-N 2.78Å |
| 167 | Y | 90.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -111.6 | 3 | -171.2 | -64.5 | -79.6 | 0 | 0 | 0 | 112.4 | L163 Y169 L189 E190 E193 | L163-Y167 HydrophobicContact CD2-CD2 4.31Å; L163-Y167 HydrophobicContact CD2-CE2 4.09Å; L163-Y167 PolarHBondContact O-N 3.46Å; Y167-Y169 VanDerWaalsContact CB-CD2 3.46Å; Y167-Y169 VanDerWaalsContact O-CD2 3.22Å; Y167-Y169 WeakPolarHBondContact O-CD2 3.38Å; Y167-Y169 PolarHBondContact O-N 3.44Å; Y167-L189 HydrophobicContact CD1-CB 3.95Å; Y167-L189 HydrophobicContact CD2-CB 4.02Å; Y167-L189 HydrophobicContact CD2-CD1 3.67Å; Y167-L189 HydrophobicContact CD2-CG 4.34Å; Y167-L189 HydrophobicContact CE1-CB 3.88Å; Y167-L189 HydrophobicContact CE2-CB 3.94Å; Y167-L189 HydrophobicContact CE2-CD1 3.85Å; Y167-L189 HydrophobicContact CG-CB 4.03Å; Y167-L189 HydrophobicContact CG-CD1 4.29Å; Y167-E190 HydrophobicContact CE1-CG 4.35Å; Y167-E190 WeakPolarHBondContact OH-CG 3.3Å; Y167-E193 HydrophobicContact CD1-CG 3.93Å; Y167-E193 HydrophobicContact CE1-CG 4.18Å |
| 168 | S | 90.9 | Very high | 92.3 | Very high | 114 Ų | 114 | 48 Ų | 48 | 80% | 0.797 | 26% | 0.255 | S | S | * | . | trans | 58.8 | 32.1 | 176.3 | -52.8 | 0 | 0 | 0 | 0 | 114.3 | C164 | C164-S168 VanDerWaalsContact O-CA 3.24Å; C164-S168 WeakPolarHBondContact O-CA 3.3Å; C164-S168 PolarHBondContact O-N 3.46Å | ||
| 169 | Y | 91.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | trans | -85.5 | 150.6 | 174 | -79.2 | -98.9 | 0 | 0 | 0 | 111.4 | C164 Y167 L173 M174 L177 L189 N192 | C164-Y169 WeakPolarHBondContact CB-O 3.48Å; C164-Y169 PolarHBondContact SG-O 3.38Å; Y167-Y169 VanDerWaalsContact CB-CD2 3.46Å; Y167-Y169 VanDerWaalsContact O-CD2 3.22Å; Y167-Y169 WeakPolarHBondContact O-CD2 3.38Å; Y167-Y169 PolarHBondContact O-N 3.44Å; Y169-L173 HydrophobicContact CD1-CD2 3.55Å; Y169-L173 HydrophobicContact CD1-CG 3.9Å; Y169-L173 HydrophobicContact CE1-CD2 3.83Å; Y169-L173 HydrophobicContact CE1-CG 4.37Å; Y169-M174 HydrophobicContact CD2-CE 4.07Å; Y169-M174 HydrophobicContact CG-CE 3.9Å; Y169-L177 HydrophobicContact CD1-CD1 3.99Å; Y169-L177 HydrophobicContact CE1-CD1 3.81Å; Y169-L189 HydrophobicContact CD2-CD2 3.74Å; Y169-L189 HydrophobicContact CE1-CD2 4.27Å; Y169-L189 HydrophobicContact CE2-CD2 3.35Å; Y169-L189 HydrophobicContact CG-CD2 4.35Å; Y169-N192 WeakPolarHBondContact OH-CB 3.17Å; Y169-N192 PolarHBondContact OH-ND2 3.4Å | ||
| 170 | N | 92.5 | Very high | 92.3 | Very high | 112 Ų | 112 | 55.2 Ų | 55.2 | 60% | 0.599 | 29% | 0.291 | S | S | * | . | trans | -67.7 | 141.8 | 166.4 | -178.3 | -15.5 | 0 | 0 | 0 | 109.8 | F172 L173 M174 | N170-F172 VanDerWaalsContact C-N 3.26Å; N170-F172 PolarHBondContact O-N 3.2Å; N170-F172 PolarHBondContact OD1-N 3.32Å; N170-F172 VanDerWaalsContact OD1-N 3.1Å; N170-L173 PolarHBondContact O-N 3.3Å; N170-L173 VanDerWaalsContact O-N 3.1Å; N170-M174 PolarHBondContact O-N 2.88Å | ||
| 171 | Q | 91.8 | Very high | 92.3 | Very high | 116 Ų | 116 | 58.5 Ų | 58.5 | 54% | 0.542 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -49.4 | -43.7 | 174.7 | -175.5 | 173.3 | -7.4 | 0 | 0 | 112.9 | I160 L173 M174 V175 | I160-Q171 HydrophobicContact CG2-CG 4.02Å; Q171-L173 PolarHBondContact O-N 3.39Å; Q171-M174 PolarHBondContact O-N 3.32Å; Q171-V175 HydrophobicContact CG-CG2 4.49Å; Q171-V175 WeakPolarHBondContact O-CG2 3.32Å; Q171-V175 PolarHBondContact O-N 3.04Å |
| 172 | F | 92.8 | Very high | 92 | Very high | 135 Ų | 135 | 57.4 Ų | 57.4 | 59% | 0.592 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.5 | -48.8 | 177.9 | 173.9 | -99.2 | 0 | 0 | 0 | 112.1 | N170 M174 V175 K176 | N170-F172 VanDerWaalsContact C-N 3.26Å; N170-F172 PolarHBondContact O-N 3.2Å; N170-F172 PolarHBondContact OD1-N 3.32Å; N170-F172 VanDerWaalsContact OD1-N 3.1Å; F172-M174 VanDerWaalsContact C-N 3.34Å; F172-V175 PolarHBondContact O-N 3.13Å; F172-K176 HydrophobicContact CE1-CG 4.48Å; F172-K176 HydrophobicContact CZ-CG 4.3Å; F172-K176 WeakPolarHBondContact O-CG 3.31Å; F172-K176 PolarHBondContact O-N 3.05Å |
| 173 | L | 92.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 63.8 Ų | 63.8 | 42% | 0.424 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 180 | -177.6 | 55.3 | 0 | 0 | 0 | 111.2 | Y169 N170 Q171 K176 L177 | Y169-L173 HydrophobicContact CD1-CD2 3.55Å; Y169-L173 HydrophobicContact CD1-CG 3.9Å; Y169-L173 HydrophobicContact CE1-CD2 3.83Å; Y169-L173 HydrophobicContact CE1-CG 4.37Å; N170-L173 PolarHBondContact O-N 3.3Å; N170-L173 VanDerWaalsContact O-N 3.1Å; Q171-L173 PolarHBondContact O-N 3.39Å; L173-K176 PolarHBondContact O-N 3.15Å; L173-L177 HydrophobicContact CD1-CD1 4.39Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 4.08Å; L173-L177 HydrophobicContact CG-CG 4.35Å; L173-L177 WeakPolarHBondContact O-CB 3.2Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.28Å |
| 174 | M | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.6 | -173.1 | 57 | 62.3 | 0 | 0 | 112.1 | I160 L163 C164 Y169 N170 Q171 F172 L177 L178 I185 L189 | I160-M174 HydrophobicContact CG2-CB 4.33Å; I160-M174 HydrophobicContact CG2-CG 4.03Å; L163-M174 HydrophobicContact CB-CE 3.62Å; L163-M174 HydrophobicContact CB-CG 4.06Å; L163-M174 HydrophobicContact CB-SD 3.53Å; L163-M174 VanDerWaalsContact CB-SD 3.53Å; L163-M174 HydrophobicContact CD1-CG 4.43Å; L163-M174 HydrophobicContact CD1-SD 3.72Å; L163-M174 HydrophobicContact CG-SD 4.22Å; C164-M174 VanDerWaalsContact SG-CB 3.59Å; Y169-M174 HydrophobicContact CD2-CE 4.07Å; Y169-M174 HydrophobicContact CG-CE 3.9Å; N170-M174 PolarHBondContact O-N 2.88Å; Q171-M174 PolarHBondContact O-N 3.32Å; F172-M174 VanDerWaalsContact C-N 3.34Å; M174-L177 PolarHBondContact O-N 3.49Å; M174-L178 WeakPolarHBondContact O-CB 3.44Å; M174-L178 PolarHBondContact O-N 3.34Å; M174-I185 HydrophobicContact SD-CD1 4.4Å; M174-I185 HydrophobicContact SD-CG1 4.49Å; M174-L189 HydrophobicContact CE-CD1 3.88Å; M174-L189 HydrophobicContact CE-CD2 3.95Å; M174-L189 HydrophobicContact SD-CD1 4.06Å |
| 175 | V | 93.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 67.8 Ų | 67.8 | 12% | 0.121 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 110 | L84 I160 Q171 F172 L177 L178 D179 | L84-V175 HydrophobicContact CD2-CG1 4.19Å; I160-V175 HydrophobicContact CD1-CG2 3.91Å; Q171-V175 HydrophobicContact CG-CG2 4.49Å; Q171-V175 WeakPolarHBondContact O-CG2 3.32Å; Q171-V175 PolarHBondContact O-N 3.04Å; F172-V175 PolarHBondContact O-N 3.13Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.97Å; V175-L178 PolarHBondContact O-N 3.17Å; V175-D179 VanDerWaalsContact O-CG 3.31Å; V175-D179 PolarHBondContact O-N 3.44Å |
| 176 | K | 92.7 | Very high | 91.7 | Very high | 73 Ų | 73 | 65.9 Ų | 65.9 | 32% | 0.317 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 179 | -61.4 | -56.9 | 172.8 | -154.2 | 0 | 113.2 | E88 F172 L173 L180 | E88-K176 IonicContact OE1-NZ 2.87Å; E88-K176 PolarHBondContact OE1-NZ 3.12Å; F172-K176 HydrophobicContact CE1-CG 4.48Å; F172-K176 HydrophobicContact CZ-CG 4.3Å; F172-K176 WeakPolarHBondContact O-CG 3.31Å; F172-K176 PolarHBondContact O-N 3.05Å; L173-K176 PolarHBondContact O-N 3.15Å; K176-L180 VanDerWaalsContact O-CG 3.29Å; K176-L180 WeakPolarHBondContact O-CG 3.41Å; K176-L180 PolarHBondContact O-N 2.88Å; K176-L180 VanDerWaalsContact O-N 3.14Å |
| 177 | L | 92.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.1 | -74.2 | 174 | 0 | 0 | 0 | 111.8 | Y169 L173 M174 V175 D179 L180 F181 I185 L189 | Y169-L177 HydrophobicContact CD1-CD1 3.99Å; Y169-L177 HydrophobicContact CE1-CD1 3.81Å; L173-L177 HydrophobicContact CD1-CD1 4.39Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 4.08Å; L173-L177 HydrophobicContact CG-CG 4.35Å; L173-L177 WeakPolarHBondContact O-CB 3.2Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.28Å; M174-L177 PolarHBondContact O-N 3.49Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.97Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-L180 PolarHBondContact O-N 3.46Å; L177-F181 PolarHBondContact O-N 3.31Å; L177-I185 HydrophobicContact CB-CD1 3.66Å; L177-L189 HydrophobicContact CD1-CD2 4.02Å |
| 178 | L | 92 | Very high | 91.9 | Very high | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 176.7 | -170.4 | 67.9 | 0 | 0 | 0 | 111.5 | L84 V156 L159 I160 M174 V175 P182 I185 | L84-L178 HydrophobicContact CD1-CD2 4.48Å; L84-L178 HydrophobicContact CD2-CD2 4.22Å; V156-L178 HydrophobicContact CG1-CD2 4.34Å; L159-L178 HydrophobicContact CD2-CD1 4.43Å; I160-L178 HydrophobicContact CD1-CD2 4.33Å; I160-L178 HydrophobicContact CG1-CD2 4.05Å; M174-L178 WeakPolarHBondContact O-CB 3.44Å; M174-L178 PolarHBondContact O-N 3.34Å; V175-L178 PolarHBondContact O-N 3.17Å; L178-P182 VanDerWaalsContact O-CA 3.27Å; L178-P182 WeakPolarHBondContact O-CA 3.4Å; L178-P182 WeakPolarHBondContact O-CD 3.23Å; L178-I185 HydrophobicContact CD1-CB 4.1Å; L178-I185 HydrophobicContact CD1-CG1 4.08Å; L178-I185 HydrophobicContact CD1-CG2 4Å |
| 179 | D | 91.5 | Very high | 92 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 173.3 | -70.9 | -22.9 | 0 | 0 | 0 | 112.2 | L84 V175 L177 | L84-D179 WeakPolarHBondContact CB-OD1 3.15Å; V175-D179 VanDerWaalsContact O-CG 3.31Å; V175-D179 PolarHBondContact O-N 3.44Å; L177-D179 VanDerWaalsContact C-N 3.33Å |
| 180 | L | 92.6 | Very high | 92 | Very high | 120 Ų | 120 | 66 Ų | 66 | 63% | 0.628 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -76.8 | -36.8 | 179.9 | -71 | 171.1 | 0 | 0 | 0 | 113 | K176 L177 | K176-L180 VanDerWaalsContact O-CG 3.29Å; K176-L180 WeakPolarHBondContact O-CG 3.41Å; K176-L180 PolarHBondContact O-N 2.88Å; K176-L180 VanDerWaalsContact O-N 3.14Å; L177-L180 PolarHBondContact O-N 3.46Å |
| 181 | F | 92.2 | Very high | 92 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | trans | -136 | 63 | -171.6 | -56.1 | -74 | 0 | 0 | 0 | 112.3 | L177 K183 E184 I185 V188 | L177-F181 PolarHBondContact O-N 3.31Å; F181-K183 VanDerWaalsContact C-N 3.34Å; F181-K183 PolarHBondContact O-N 3.48Å; F181-E184 HydrophobicContact CB-CB 4.43Å; F181-E184 PolarHBondContact O-N 3.06Å; F181-I185 WeakPolarHBondContact O-CA 3.01Å; F181-I185 VanDerWaalsContact O-CB 3.3Å; F181-I185 WeakPolarHBondContact O-CB 3.01Å; F181-I185 PolarHBondContact O-N 3.35Å; F181-V188 HydrophobicContact CB-CG2 4.07Å; F181-V188 HydrophobicContact CD1-CG2 4.17Å; F181-V188 HydrophobicContact CD2-CG1 4.27Å; F181-V188 HydrophobicContact CD2-CG2 3.99Å; F181-V188 HydrophobicContact CE2-CG2 4.49Å; F181-V188 HydrophobicContact CG-CG2 3.82Å | ||
| 182 | P | 87.9 | Confident | 92 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -36.9 | -170.5 | 22.5 | -33.6 | 0 | 0 | 0 | 113.8 | F81 L178 | F81-P182 HydrophobicContact CB-CB 4.15Å; F81-P182 HydrophobicContact CD1-CB 4.25Å; F81-P182 HydrophobicContact CD2-CB 3.74Å; F81-P182 HydrophobicContact CD2-CG 4.36Å; F81-P182 HydrophobicContact CE2-CB 4.15Å; F81-P182 HydrophobicContact CG-CB 3.79Å; L178-P182 VanDerWaalsContact O-CA 3.27Å; L178-P182 WeakPolarHBondContact O-CA 3.4Å; L178-P182 WeakPolarHBondContact O-CD 3.23Å |
| 183 | K | 87.3 | Confident | 91.8 | Very high | 134 Ų | 134 | 61.6 Ų | 61.6 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -31.5 | 179.7 | -67.4 | 176.7 | 175.5 | 173.5 | 0 | 112.9 | D79 F181 | D79-K183 WeakPolarHBondContact OD2-CE 3.43Å; D79-K183 IonicContact OD2-NZ 2.9Å; D79-K183 PolarHBondContact OD2-NZ 3.21Å; F181-K183 VanDerWaalsContact C-N 3.34Å; F181-K183 PolarHBondContact O-N 3.48Å |
| 184 | E | 91.8 | Very high | 91.7 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 7.3 | -168.4 | -64.1 | 168 | -178.8 | 0 | 0 | 112.4 | F181 V186 E187 V188 | F181-E184 HydrophobicContact CB-CB 4.43Å; F181-E184 PolarHBondContact O-N 3.06Å; E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 3.16Å; E184-V186 VanDerWaalsContact O-N 3.12Å; E184-E187 WeakPolarHBondContact O-CA 3.42Å; E184-E187 WeakPolarHBondContact O-CB 3.42Å; E184-E187 PolarHBondContact O-N 3.32Å; E184-V188 PolarHBondContact O-N 3.35Å |
| 185 | I | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.1 | -42.4 | -172.5 | -173 | 56.4 | 0 | 0 | 0 | 112.8 | L136 L163 M174 L177 L178 F181 V188 L189 | L136-I185 HydrophobicContact CD1-CG2 4.42Å; L136-I185 HydrophobicContact CD2-CG2 3.83Å; L163-I185 HydrophobicContact CD1-CG1 4.09Å; L163-I185 HydrophobicContact CD1-CG2 4.49Å; M174-I185 HydrophobicContact SD-CD1 4.4Å; M174-I185 HydrophobicContact SD-CG1 4.49Å; L177-I185 HydrophobicContact CB-CD1 3.66Å; L178-I185 HydrophobicContact CD1-CB 4.1Å; L178-I185 HydrophobicContact CD1-CG1 4.08Å; L178-I185 HydrophobicContact CD1-CG2 4Å; F181-I185 WeakPolarHBondContact O-CA 3.01Å; F181-I185 VanDerWaalsContact O-CB 3.3Å; F181-I185 WeakPolarHBondContact O-CB 3.01Å; F181-I185 PolarHBondContact O-N 3.35Å; I185-V188 PolarHBondContact O-N 3.12Å; I185-L189 HydrophobicContact CD1-CD1 4.03Å; I185-L189 HydrophobicContact CD1-CG 4.18Å; I185-L189 HydrophobicContact CG1-CD1 3.83Å; I185-L189 HydrophobicContact CG1-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CB 3.35Å; I185-L189 WeakPolarHBondContact O-CD1 3.5Å; I185-L189 WeakPolarHBondContact O-CG 3.08Å; I185-L189 PolarHBondContact O-N 2.55Å |
| 186 | V | 92.2 | Very high | 91 | Very high | 23 Ų | 23 | 76.9 Ų | 76.9 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I132 L136 L163 E184 V188 L189 E190 | I132-V186 HydrophobicContact CG2-CG2 3.75Å; L136-V186 HydrophobicContact CD1-CB 4.42Å; L136-V186 HydrophobicContact CD1-CG2 3.33Å; L163-V186 HydrophobicContact CD2-CG2 4.45Å; E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 3.16Å; E184-V186 VanDerWaalsContact O-N 3.12Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V186-L189 PolarHBondContact O-N 3.44Å; V186-E190 HydrophobicContact CG1-CG 4.09Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.37Å; V186-E190 VanDerWaalsContact O-CB 3.27Å; V186-E190 WeakPolarHBondContact O-CB 3.48Å; V186-E190 VanDerWaalsContact O-CG 3.23Å; V186-E190 WeakPolarHBondContact O-CG 3.23Å; V186-E190 PolarHBondContact O-N 3.49Å |
| 187 | E | 92 | Very high | 90.8 | Very high | 138 Ų | 138 | 76 Ų | 76 | 65% | 0.645 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.1 | -40.1 | 178.9 | -57.9 | -169.2 | 179.2 | 0 | 0 | 111.4 | E184 A191 | E184-E187 WeakPolarHBondContact O-CA 3.42Å; E184-E187 WeakPolarHBondContact O-CB 3.42Å; E184-E187 PolarHBondContact O-N 3.32Å; E187-A191 WeakPolarHBondContact O-CB 3.46Å; E187-A191 PolarHBondContact O-N 2.57Å |
| 188 | V | 93.1 | Very high | 90.8 | Very high | 30 Ų | 30 | 78.3 Ų | 78.3 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.6 | -46 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | F181 E184 I185 V186 A191 N192 | F181-V188 HydrophobicContact CB-CG2 4.07Å; F181-V188 HydrophobicContact CD1-CG2 4.17Å; F181-V188 HydrophobicContact CD2-CG1 4.27Å; F181-V188 HydrophobicContact CD2-CG2 3.99Å; F181-V188 HydrophobicContact CE2-CG2 4.49Å; F181-V188 HydrophobicContact CG-CG2 3.82Å; E184-V188 PolarHBondContact O-N 3.35Å; I185-V188 PolarHBondContact O-N 3.12Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V188-A191 PolarHBondContact O-N 3.12Å; V188-N192 PolarHBondContact O-N 2.89Å; V188-N192 PolarHBondContact O-ND2 2.86Å; V188-N192 VanDerWaalsContact O-ND2 3.12Å |
| 189 | L | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 178 | -68 | 168.4 | 0 | 0 | 0 | 111.2 | L163 Y167 Y169 M174 L177 I185 V186 A191 N192 E193 | L163-L189 HydrophobicContact CD2-CD1 3.84Å; Y167-L189 HydrophobicContact CD1-CB 3.95Å; Y167-L189 HydrophobicContact CD2-CB 4.02Å; Y167-L189 HydrophobicContact CD2-CD1 3.67Å; Y167-L189 HydrophobicContact CD2-CG 4.34Å; Y167-L189 HydrophobicContact CE1-CB 3.88Å; Y167-L189 HydrophobicContact CE2-CB 3.94Å; Y167-L189 HydrophobicContact CE2-CD1 3.85Å; Y167-L189 HydrophobicContact CG-CB 4.03Å; Y167-L189 HydrophobicContact CG-CD1 4.29Å; Y169-L189 HydrophobicContact CD2-CD2 3.74Å; Y169-L189 HydrophobicContact CE1-CD2 4.27Å; Y169-L189 HydrophobicContact CE2-CD2 3.35Å; Y169-L189 HydrophobicContact CG-CD2 4.35Å; M174-L189 HydrophobicContact CE-CD1 3.88Å; M174-L189 HydrophobicContact CE-CD2 3.95Å; M174-L189 HydrophobicContact SD-CD1 4.06Å; L177-L189 HydrophobicContact CD1-CD2 4.02Å; I185-L189 HydrophobicContact CD1-CD1 4.03Å; I185-L189 HydrophobicContact CD1-CG 4.18Å; I185-L189 HydrophobicContact CG1-CD1 3.83Å; I185-L189 HydrophobicContact CG1-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CB 3.35Å; I185-L189 WeakPolarHBondContact O-CD1 3.5Å; I185-L189 WeakPolarHBondContact O-CG 3.08Å; I185-L189 PolarHBondContact O-N 2.55Å; V186-L189 PolarHBondContact O-N 3.44Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 2.94Å; L189-N192 PolarHBondContact O-N 2.63Å; L189-N192 VanDerWaalsContact O-N 3.16Å; L189-E193 PolarHBondContact O-N 3.46Å |
| 190 | E | 92.2 | Very high | 91 | Very high | 86 Ų | 86 | 75 Ų | 75 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 175.1 | -73.9 | -176.4 | 179.1 | 0 | 0 | 112.2 | Y167 V186 E193 V194 | Y167-E190 HydrophobicContact CE1-CG 4.35Å; Y167-E190 WeakPolarHBondContact OH-CG 3.3Å; V186-E190 HydrophobicContact CG1-CG 4.09Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.37Å; V186-E190 VanDerWaalsContact O-CB 3.27Å; V186-E190 WeakPolarHBondContact O-CB 3.48Å; V186-E190 VanDerWaalsContact O-CG 3.23Å; V186-E190 WeakPolarHBondContact O-CG 3.23Å; V186-E190 PolarHBondContact O-N 3.49Å; E190-E193 PolarHBondContact O-N 2.86Å; E190-V194 WeakPolarHBondContact O-CG2 3.43Å |
| 191 | A | 91.9 | Very high | 91.1 | Very high | 62 Ų | 62 | 69.6 Ų | 69.6 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.7 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E187 V188 L189 E193 V194 | E187-A191 WeakPolarHBondContact O-CB 3.46Å; E187-A191 PolarHBondContact O-N 2.57Å; V188-A191 PolarHBondContact O-N 3.12Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 2.94Å; A191-E193 VanDerWaalsContact C-N 3.34Å; A191-V194 PolarHBondContact O-N 3.44Å |
| 192 | N | 91.5 | Very high | 91.1 | Very high | 97 Ų | 97 | 66 Ų | 66 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73 | -25.5 | 176.4 | -74.1 | -38 | 0 | 0 | 0 | 113.1 | Y169 V188 L189 V194 | Y169-N192 WeakPolarHBondContact OH-CB 3.17Å; Y169-N192 PolarHBondContact OH-ND2 3.4Å; V188-N192 PolarHBondContact O-N 2.89Å; V188-N192 PolarHBondContact O-ND2 2.86Å; V188-N192 VanDerWaalsContact O-ND2 3.12Å; L189-N192 PolarHBondContact O-N 2.63Å; L189-N192 VanDerWaalsContact O-N 3.16Å; N192-V194 VanDerWaalsContact C-N 3.25Å; N192-V194 PolarHBondContact O-N 3.47Å |
| 193 | E | 89.8 | Confident | 91.3 | Very high | 111 Ų | 111 | 64.4 Ų | 64.4 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -16.1 | 172.5 | -68.2 | -67.5 | 158.7 | 0 | 0 | 112.9 | Y167 L189 E190 A191 | Y167-E193 HydrophobicContact CD1-CG 3.93Å; Y167-E193 HydrophobicContact CE1-CG 4.18Å; L189-E193 PolarHBondContact O-N 3.46Å; E190-E193 PolarHBondContact O-N 2.86Å; A191-E193 VanDerWaalsContact C-N 3.34Å |
| 194 | V | 89.2 | Confident | 91.4 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -86.5 | 125.6 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | E190 A191 N192 R196 | E190-V194 WeakPolarHBondContact O-CG2 3.43Å; A191-V194 PolarHBondContact O-N 3.44Å; N192-V194 VanDerWaalsContact C-N 3.25Å; N192-V194 PolarHBondContact O-N 3.47Å; V194-R196 PolarHBondContact O-N 3.47Å |
| 195 | D | 87.7 | Confident | 91.2 | Very high | 153 Ų | 153 | 59.3 Ų | 59.3 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 128.8 | 173 | -75.6 | -39.2 | 0 | 0 | 0 | 111.6 | ||
| 196 | R | 86.4 | Confident | 91.1 | Very high | 189 Ų | 189 | 62.8 Ų | 62.8 | 71% | 0.713 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 130.9 | 178.2 | -175.9 | 179 | -68.6 | -179.4 | -0.6 | 109.6 | V194 V198 | V194-R196 PolarHBondContact O-N 3.47Å; R196-V198 PolarHBondContact O-N 3.35Å |
| 197 | P | 87.5 | Confident | 91.1 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 34% | 0.344 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 137.2 | 174.4 | 27.4 | -38.4 | 0 | 0 | 0 | 110.7 | F46 T199 V235 | F46-P197 HydrophobicContact CZ-CB 4.28Å; F46-P197 HydrophobicContact CZ-CG 3.96Å; P197-T199 PolarHBondContact O-N 2.89Å; P197-V235 HydrophobicContact CB-CG1 4.19Å |
| 198 | V | 92.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | R196 V236 L243 L256 | R196-V198 PolarHBondContact O-N 3.35Å; V198-V236 HydrophobicContact CB-CB 4.45Å; V198-V236 HydrophobicContact CG1-CB 4.48Å; V198-V236 PolarHBondContact O-N 3.42Å; V198-L243 HydrophobicContact CG1-CD1 3.82Å; V198-L256 HydrophobicContact CG1-CD2 4.11Å |
| 199 | T | 94.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.2 | 179 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | P197 L226 L234 V235 Q257 G258 A259 | P197-T199 PolarHBondContact O-N 2.89Å; T199-L226 HydrophobicContact CG2-CD1 4.49Å; T199-L234 WeakPolarHBondContact CA-O 3.45Å; T199-V235 HydrophobicContact CG2-CG2 4.02Å; T199-Q257 CarbonylContact C-O 3.39Å; T199-Q257 WeakPolarHBondContact CB-O 3.4Å; T199-Q257 CarbonylContact O-C 3.59Å; T199-Q257 PolarHBondContact O-N 2.81Å; T199-Q257 PolarHBondContact OG1-O 2.77Å; T199-G258 VanDerWaalsContact OG1-C 3.3Å; T199-G258 VanDerWaalsContact OG1-CA 3.23Å; T199-G258 WeakPolarHBondContact OG1-CA 3.16Å; T199-A259 HydrophobicContact CG2-CB 4.25Å; T199-A259 PolarHBondContact OG1-N 3.23Å |
| 200 | I | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.4 | 177 | 60.1 | 178.2 | 0 | 0 | 0 | 109.8 | L216 G233 L234 V236 Y254 I255 L256 | I200-L216 HydrophobicContact CD1-CD1 3.49Å; I200-L216 VanDerWaalsContact CD1-CD1 3.49Å; I200-G233 WeakPolarHBondContact O-CA 3.43Å; I200-L234 HydrophobicContact CD1-CB 3.99Å; I200-L234 HydrophobicContact CD1-CD1 3.84Å; I200-L234 HydrophobicContact CD1-CG 4.49Å; I200-L234 HydrophobicContact CG1-CB 3.62Å; I200-L234 HydrophobicContact CG1-CD1 4.21Å; I200-L234 HydrophobicContact CG1-CG 4.38Å; I200-L234 PolarHBondContact N-O 2.68Å; I200-L234 PolarHBondContact O-N 2.98Å; I200-V236 HydrophobicContact CD1-CG2 4.22Å; I200-V236 HydrophobicContact CG1-CG2 4.37Å; I200-V236 HydrophobicContact CG2-CG2 4.33Å; I200-Y254 HydrophobicContact CB-CD2 3.89Å; I200-Y254 HydrophobicContact CB-CE2 4.49Å; I200-Y254 HydrophobicContact CD1-CD2 4.34Å; I200-Y254 HydrophobicContact CD1-CG 4.5Å; I200-Y254 HydrophobicContact CG2-CD2 3.76Å; I200-Y254 HydrophobicContact CG2-CE2 3.89Å; I200-I255 WeakPolarHBondContact CA-O 3.5Å; I200-L256 HydrophobicContact CG2-CD2 3.53Å; I200-L256 HydrophobicContact CG2-CG 4.46Å |
| 201 | R | 93.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 77 Ų | 77 | 2% | 0.019 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.1 | 170.6 | -175.8 | 175.3 | 64.8 | 96.4 | -1.7 | 109 | V232 Y254 I255 Q257 M262 G285 T288 Y289 | R201-V232 HydrophobicContact CG-CG2 4.06Å; R201-Y254 VanDerWaalsContact O-CA 3.22Å; R201-Y254 WeakPolarHBondContact O-CA 3.34Å; R201-Y254 VanDerWaalsContact O-CB 3.29Å; R201-Y254 WeakPolarHBondContact O-CB 3.46Å; R201-I255 HydrophobicContact CB-CG2 3.88Å; R201-I255 PolarHBondContact N-O 3.36Å; R201-I255 PolarHBondContact O-N 2.89Å; R201-Q257 HydrophobicContact CB-CB 4.46Å; R201-Q257 VanDerWaalsContact CD-OE1 3.24Å; R201-M262 HydrophobicContact CB-CE 3.72Å; R201-M262 HydrophobicContact CB-SD 4.23Å; R201-M262 HydrophobicContact CG-CE 4.41Å; R201-M262 HydrophobicContact CG-SD 4.27Å; R201-G285 PolarHBondContact NH2-O 3.2Å; R201-T288 PolarHBondContact NH1-O 2.76Å; R201-T288 VanDerWaalsContact NH2-C 3.26Å; R201-T288 PolarHBondContact NH2-O 3.19Å; R201-T288 PolarHBondContact NH2-OG1 2.93Å; R201-Y289 VanDerWaalsContact CZ-CB 3.49Å; R201-Y289 VanDerWaalsContact NH1-CB 3.33Å |
| 202 | T | 93.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131 | 173 | -51.2 | 0 | 0 | 0 | 0 | 110.1 | T204 T207 R209 L212 V232 | T202-T204 PolarHBondContact O-N 2.86Å; T202-T207 HydrophobicContact CG2-CG2 3.79Å; T202-R209 HydrophobicContact CG2-CB 4.43Å; T202-L212 HydrophobicContact CG2-CB 4.35Å; T202-L212 HydrophobicContact CG2-CD2 3.81Å; T202-V232 WeakPolarHBondContact CB-O 3.4Å; T202-V232 PolarHBondContact N-O 2.77Å; T202-V232 PolarHBondContact OG1-O 2.93Å |
| 203 | N | 92.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | trans | -78.8 | 96.1 | 167.2 | -175.1 | 2.9 | 0 | 0 | 0 | 109.7 | L205 K206 T207 G252 H253 L320 | N203-L205 PolarHBondContact O-N 3.21Å; N203-L205 VanDerWaalsContact O-N 3.1Å; N203-L205 WeakPolarHBondContact OD1-CB 3.31Å; N203-L205 PolarHBondContact OD1-N 3.32Å; N203-L205 VanDerWaalsContact OD1-N 3.14Å; N203-K206 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-N 3.28Å; N203-T207 VanDerWaalsContact O-N 3.12Å; N203-G252 VanDerWaalsContact CB-O 3.23Å; N203-G252 WeakPolarHBondContact CB-O 3.36Å; N203-G252 PolarHBondContact ND2-O 3.27Å; N203-H253 WeakPolarHBondContact CB-O 3.45Å; N203-H253 PolarHBondContact N-O 3.21Å; N203-L320 HydrophobicContact CB-CD2 3.92Å; N203-L320 WeakPolarHBondContact ND2-CD2 3.35Å; N203-L320 PolarHBondContact ND2-O 2.98Å; N203-L320 VanDerWaalsContact ND2-O 3.15Å | ||
| 204 | T | 89.6 | Confident | 91.9 | Very high | 47 Ų | 47 | 70 Ų | 70 | 29% | 0.288 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -6.6 | -178.6 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | T202 T207 V232 K292 | T202-T204 PolarHBondContact O-N 2.86Å; T204-T207 WeakPolarHBondContact CA-O 3.19Å; T204-V232 HydrophobicContact CG2-CG1 3.55Å; T204-K292 WeakPolarHBondContact OG1-CD 3.19Å; T204-K292 WeakPolarHBondContact OG1-CE 3.36Å; T204-K292 PolarHBondContact OG1-NZ 3.04Å |
| 205 | L | 87.4 | Confident | 92.2 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -27.4 | 170.8 | -61.7 | 175.4 | 0 | 0 | 0 | 112 | N203 K292 F322 | N203-L205 PolarHBondContact O-N 3.21Å; N203-L205 VanDerWaalsContact O-N 3.1Å; N203-L205 WeakPolarHBondContact OD1-CB 3.31Å; N203-L205 PolarHBondContact OD1-N 3.32Å; N203-L205 VanDerWaalsContact OD1-N 3.14Å; L205-K292 HydrophobicContact CD2-CG 4.15Å; L205-F322 HydrophobicContact CD1-CD1 4.24Å; L205-F322 HydrophobicContact CD1-CE1 3.47Å; L205-F322 VanDerWaalsContact CD1-CE1 3.47Å; L205-F322 HydrophobicContact CD1-CE2 4.48Å; L205-F322 HydrophobicContact CD1-CZ 3.64Å |
| 206 | K | 88.8 | Confident | 92.5 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -34.8 | -176.1 | -67.5 | -170.9 | 176 | -177.5 | 0 | 114.1 | N203 A251 L319 S321 | N203-K206 PolarHBondContact O-N 3.49Å; K206-A251 VanDerWaalsContact CD-O 3.3Å; K206-A251 WeakPolarHBondContact CD-O 3.45Å; K206-A251 PolarHBondContact NZ-O 2.87Å; K206-L319 PolarHBondContact NZ-O 2.83Å; K206-S321 VanDerWaalsContact CE-CB 3.49Å; K206-S321 VanDerWaalsContact CE-OG 3.24Å; K206-S321 WeakPolarHBondContact CE-OG 2.89Å; K206-S321 PolarHBondContact NZ-OG 3.14Å |
| 207 | T | 92.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | trans | -148.9 | 157 | -175.4 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | T202 N203 T204 L212 H253 | T202-T207 HydrophobicContact CG2-CG2 3.79Å; N203-T207 PolarHBondContact O-N 3.28Å; N203-T207 VanDerWaalsContact O-N 3.12Å; T204-T207 WeakPolarHBondContact CA-O 3.19Å; T207-L212 HydrophobicContact CG2-CB 4Å; T207-H253 HydrophobicContact CG2-CB 3.79Å | ||
| 208 | R | 93.9 | Very high | 93.1 | Very high | 184 Ų | 184 | 58.3 Ų | 58.3 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | trans | -82.8 | 151.9 | 168.8 | -61.8 | -179.4 | 172.1 | -174.6 | -1.3 | 110.8 | R210 E211 L212 | R208-R210 VanDerWaalsContact C-N 3.28Å; R208-R210 PolarHBondContact O-N 2.88Å; R208-E211 HydrophobicContact CB-CG 4.32Å; R208-E211 WeakPolarHBondContact CB-OE2 3.14Å; R208-E211 PolarHBondContact N-OE2 3.35Å; R208-E211 VanDerWaalsContact N-OE2 3.15Å; R208-E211 PolarHBondContact O-N 3.05Å; R208-L212 PolarHBondContact O-N 2.93Å | ||
| 209 | R | 93.9 | Very high | 93 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.6 | -39.8 | 178.7 | -179 | 178 | 59.4 | 84.1 | -6.9 | 112.7 | T202 A213 K231 L234 | T202-R209 HydrophobicContact CG2-CB 4.43Å; R209-A213 VanDerWaalsContact O-CB 3.28Å; R209-A213 WeakPolarHBondContact O-CB 3.46Å; R209-A213 PolarHBondContact O-N 3.5Å; R209-K231 WeakPolarHBondContact CD-O 3.36Å; R209-K231 PolarHBondContact NE-O 2.85Å; R209-L234 HydrophobicContact CG-CD1 4.31Å; R209-L234 HydrophobicContact CG-CD2 3.69Å; R209-L234 HydrophobicContact CG-CG 4.02Å |
| 210 | R | 94.2 | Very high | 92.9 | Very high | 206 Ų | 206 | 60.9 Ų | 60.9 | 78% | 0.777 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.1 | -43.5 | 179.4 | -69.7 | -175.5 | 178.8 | 172.6 | -0.9 | 112.1 | R208 A213 Q214 | R208-R210 VanDerWaalsContact C-N 3.28Å; R208-R210 PolarHBondContact O-N 2.88Å; R210-A213 PolarHBondContact O-N 3.36Å; R210-Q214 PolarHBondContact O-N 3.05Å |
| 211 | E | 95 | Very high | 92.8 | Very high | 104 Ų | 104 | 61 Ų | 61 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 177.8 | -69.4 | 157.2 | -167.7 | 0 | 0 | 110.9 | R208 Q214 A215 | R208-E211 HydrophobicContact CB-CG 4.32Å; R208-E211 WeakPolarHBondContact CB-OE2 3.14Å; R208-E211 PolarHBondContact N-OE2 3.35Å; R208-E211 VanDerWaalsContact N-OE2 3.15Å; R208-E211 PolarHBondContact O-N 3.05Å; E211-Q214 PolarHBondContact O-N 3.15Å; E211-A215 WeakPolarHBondContact O-CB 2.94Å; E211-A215 PolarHBondContact O-N 3.41Å |
| 212 | L | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.5 | 177.4 | 64.8 | 0 | 0 | 0 | 111.9 | T202 T207 R208 Q214 A215 L216 L234 E248 H253 Y254 | T202-L212 HydrophobicContact CG2-CB 4.35Å; T202-L212 HydrophobicContact CG2-CD2 3.81Å; T207-L212 HydrophobicContact CG2-CB 4Å; R208-L212 PolarHBondContact O-N 2.93Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 2.82Å; L212-A215 PolarHBondContact O-N 3.12Å; L212-L216 HydrophobicContact CD1-CD1 3.93Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.48Å; L212-L216 WeakPolarHBondContact O-CB 3.25Å; L212-L216 WeakPolarHBondContact O-CG 3.23Å; L212-L216 PolarHBondContact O-N 3.3Å; L212-L234 HydrophobicContact CD2-CD1 4.1Å; L212-L234 HydrophobicContact CG-CD1 4.35Å; L212-E248 HydrophobicContact CD1-CB 4.21Å; L212-E248 HydrophobicContact CD1-CG 4.41Å; L212-H253 HydrophobicContact CD1-CB 4.17Å; L212-Y254 HydrophobicContact CD1-CD1 3.63Å; L212-Y254 HydrophobicContact CD1-CE1 4.21Å; L212-Y254 HydrophobicContact CD2-CD1 4.12Å; L212-Y254 HydrophobicContact CD2-CG 4.2Å; L212-Y254 HydrophobicContact CG-CD1 4.46Å |
| 213 | A | 94.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.7 | -47.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R209 R210 A215 L216 I217 L223 L234 | R209-A213 VanDerWaalsContact O-CB 3.28Å; R209-A213 WeakPolarHBondContact O-CB 3.46Å; R209-A213 PolarHBondContact O-N 3.5Å; R210-A213 PolarHBondContact O-N 3.36Å; A213-A215 PolarHBondContact O-N 3.33Å; A213-L216 PolarHBondContact O-N 3.15Å; A213-I217 WeakPolarHBondContact O-CB 3.21Å; A213-I217 WeakPolarHBondContact O-CD1 3.44Å; A213-I217 WeakPolarHBondContact O-CG1 3.44Å; A213-I217 PolarHBondContact O-N 3.13Å; A213-L223 HydrophobicContact CB-CD1 3.72Å; A213-L234 HydrophobicContact CB-CD1 4.24Å; A213-L234 HydrophobicContact CB-CD2 4.3Å |
| 214 | Q | 94.8 | Very high | 92.9 | Very high | 105 Ų | 105 | 66.8 Ų | 66.8 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 178 | -170.6 | 62.5 | 55.1 | 0 | 0 | 112.3 | R210 E211 L212 L216 I217 N218 | R210-Q214 PolarHBondContact O-N 3.05Å; E211-Q214 PolarHBondContact O-N 3.15Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 2.82Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.41Å; Q214-I217 PolarHBondContact O-N 2.97Å; Q214-N218 PolarHBondContact NE2-OD1 3.45Å; Q214-N218 WeakPolarHBondContact O-CB 3.17Å; Q214-N218 PolarHBondContact O-N 2.95Å; Q214-N218 PolarHBondContact O-ND2 3.35Å; Q214-N218 PolarHBondContact O-OD1 3.46Å |
| 215 | A | 93.7 | Very high | 93.1 | Very high | 30 Ų | 30 | 68 Ų | 68 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | E211 L212 A213 R219 E248 | E211-A215 WeakPolarHBondContact O-CB 2.94Å; E211-A215 PolarHBondContact O-N 3.41Å; L212-A215 PolarHBondContact O-N 3.12Å; A213-A215 PolarHBondContact O-N 3.33Å; A215-R219 PolarHBondContact O-N 3.46Å; A215-E248 HydrophobicContact CB-CG 4.41Å |
| 216 | L | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.7 | -38.2 | 178.2 | -70.9 | 175.7 | 0 | 0 | 0 | 112.4 | I200 L212 A213 Q214 N218 R219 G220 V221 L223 T246 Y254 | I200-L216 HydrophobicContact CD1-CD1 3.49Å; I200-L216 VanDerWaalsContact CD1-CD1 3.49Å; L212-L216 HydrophobicContact CD1-CD1 3.93Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.48Å; L212-L216 WeakPolarHBondContact O-CB 3.25Å; L212-L216 WeakPolarHBondContact O-CG 3.23Å; L212-L216 PolarHBondContact O-N 3.3Å; A213-L216 PolarHBondContact O-N 3.15Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.41Å; L216-N218 VanDerWaalsContact C-N 3.31Å; L216-N218 PolarHBondContact O-N 3.14Å; L216-R219 PolarHBondContact O-N 3.4Å; L216-G220 PolarHBondContact O-N 3.28Å; L216-V221 HydrophobicContact CB-CB 4.11Å; L216-V221 HydrophobicContact CB-CG2 4.21Å; L216-V221 HydrophobicContact CD2-CG2 4.31Å; L216-V221 VanDerWaalsContact O-CB 3.28Å; L216-V221 WeakPolarHBondContact O-CB 3.29Å; L216-V221 WeakPolarHBondContact O-CG2 3.49Å; L216-V221 PolarHBondContact O-N 3.2Å; L216-V221 VanDerWaalsContact O-N 3.07Å; L216-L223 HydrophobicContact CB-CD2 3.38Å; L216-L223 HydrophobicContact CD1-CD2 3.8Å; L216-L223 HydrophobicContact CG-CD2 4.26Å; L216-T246 HydrophobicContact CD2-CG2 4.41Å; L216-Y254 HydrophobicContact CD1-CE1 4.23Å; L216-Y254 HydrophobicContact CD2-CE1 4.01Å |
| 217 | I | 94 | Very high | 93.2 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 41% | 0.41 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.8 | -71 | 163.9 | 0 | 0 | 0 | 110.5 | A213 Q214 R219 G220 L223 | A213-I217 WeakPolarHBondContact O-CB 3.21Å; A213-I217 WeakPolarHBondContact O-CD1 3.44Å; A213-I217 WeakPolarHBondContact O-CG1 3.44Å; A213-I217 PolarHBondContact O-N 3.13Å; Q214-I217 PolarHBondContact O-N 2.97Å; I217-R219 PolarHBondContact O-N 3.05Å; I217-R219 VanDerWaalsContact O-N 3.17Å; I217-G220 PolarHBondContact O-N 2.91Å; I217-L223 HydrophobicContact CG1-CD2 4.47Å; I217-L223 HydrophobicContact CG1-CG 4.22Å |
| 218 | N | 92.6 | Very high | 92.9 | Very high | 120 Ų | 120 | 67 Ų | 67 | 64% | 0.642 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.4 | -23.9 | 176.7 | -68.5 | -9.3 | 0 | 0 | 0 | 112.9 | Q214 L216 G220 | Q214-N218 PolarHBondContact NE2-OD1 3.45Å; Q214-N218 WeakPolarHBondContact O-CB 3.17Å; Q214-N218 PolarHBondContact O-N 2.95Å; Q214-N218 PolarHBondContact O-ND2 3.35Å; Q214-N218 PolarHBondContact O-OD1 3.46Å; L216-N218 VanDerWaalsContact C-N 3.31Å; L216-N218 PolarHBondContact O-N 3.14Å; N218-G220 VanDerWaalsContact C-N 3.33Å |
| 219 | R | 91.2 | Very high | 92.7 | Very high | 99 Ų | 99 | 63 Ų | 63 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 4.7 | 174.1 | -65.5 | -178 | -175.1 | -92.4 | 1.1 | 113.8 | A215 L216 I217 E248 | A215-R219 PolarHBondContact O-N 3.46Å; L216-R219 PolarHBondContact O-N 3.4Å; I217-R219 PolarHBondContact O-N 3.05Å; I217-R219 VanDerWaalsContact O-N 3.17Å; R219-E248 IonicContact CZ-OE1 3.66Å; R219-E248 IonicContact CZ-OE2 3.2Å; R219-E248 IonicContact NE-OE1 2.72Å; R219-E248 PolarHBondContact NE-OE1 2.93Å; R219-E248 IonicContact NE-OE2 2.78Å; R219-E248 PolarHBondContact NE-OE2 2.87Å; R219-E248 IonicContact NH2-OE1 3.57Å; R219-E248 PolarHBondContact NH2-OE1 2.9Å; R219-E248 IonicContact NH2-OE2 2.76Å; R219-E248 PolarHBondContact NH2-OE2 3.5Å |
| 220 | G | 91 | Very high | 92.5 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 24.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L216 I217 N218 | L216-G220 PolarHBondContact O-N 3.28Å; I217-G220 PolarHBondContact O-N 2.91Å; N218-G220 VanDerWaalsContact C-N 3.33Å |
| 221 | V | 93.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.4 | 170.3 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | L216 L223 V236 S239 L243 | L216-V221 HydrophobicContact CB-CB 4.11Å; L216-V221 HydrophobicContact CB-CG2 4.21Å; L216-V221 HydrophobicContact CD2-CG2 4.31Å; L216-V221 VanDerWaalsContact O-CB 3.28Å; L216-V221 WeakPolarHBondContact O-CB 3.29Å; L216-V221 WeakPolarHBondContact O-CG2 3.49Å; L216-V221 PolarHBondContact O-N 3.2Å; L216-V221 VanDerWaalsContact O-N 3.07Å; V221-L223 HydrophobicContact CB-CD2 4.26Å; V221-L223 HydrophobicContact CG1-CB 4.44Å; V221-L223 HydrophobicContact CG1-CD2 3.98Å; V221-V236 HydrophobicContact CG1-CG1 3.59Å; V221-V236 HydrophobicContact CG1-CG2 4.39Å; V221-S239 WeakPolarHBondContact CG2-OG 3.33Å; V221-L243 HydrophobicContact CG1-CD2 3.96Å; V221-L243 HydrophobicContact CG2-CD2 4.17Å |
| 222 | N | 93.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 107.8 | 172.4 | -176.3 | 28.4 | 0 | 0 | 0 | 109.1 | Y237 S238 | N222-Y237 PolarHBondContact O-N 3.12Å; N222-S238 VanDerWaalsContact CB-OG 3.29Å; N222-S238 WeakPolarHBondContact CB-OG 3.49Å; N222-S238 PolarHBondContact N-O 3.3Å; N222-S238 PolarHBondContact O-N 2.96Å |
| 223 | L | 94.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.5 | -177.7 | 64.8 | 91.7 | 0 | 0 | 0 | 110.3 | A213 L216 I217 V221 L234 V235 V236 | A213-L223 HydrophobicContact CB-CD1 3.72Å; L216-L223 HydrophobicContact CB-CD2 3.38Å; L216-L223 HydrophobicContact CD1-CD2 3.8Å; L216-L223 HydrophobicContact CG-CD2 4.26Å; I217-L223 HydrophobicContact CG1-CD2 4.47Å; I217-L223 HydrophobicContact CG1-CG 4.22Å; V221-L223 HydrophobicContact CB-CD2 4.26Å; V221-L223 HydrophobicContact CG1-CB 4.44Å; V221-L223 HydrophobicContact CG1-CD2 3.98Å; L223-L234 HydrophobicContact CD1-CB 4.4Å; L223-L234 HydrophobicContact CD1-CD1 4.12Å; L223-L234 HydrophobicContact CD1-CD2 4.01Å; L223-L234 HydrophobicContact CD1-CG 4.4Å; L223-V235 CarbonylContact C-O 3.54Å; L223-V235 WeakPolarHBondContact CA-O 3.37Å; L223-V235 WeakPolarHBondContact CB-O 3.41Å; L223-V236 HydrophobicContact CB-CG2 4.22Å |
| 224 | D | 93.5 | Very high | 92.1 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 160.5 | 170.8 | -79.3 | -44.3 | 0 | 0 | 0 | 109.7 | L226 L234 V235 Y237 | D224-L226 PolarHBondContact O-N 2.97Å; D224-L234 CarbonylContact O-C 3.55Å; D224-L234 WeakPolarHBondContact O-CA 3.23Å; D224-V235 PolarHBondContact N-O 2.8Å; D224-V235 PolarHBondContact O-N 3.42Å; D224-Y237 HydrophobicContact CB-CE2 3.95Å; D224-Y237 VanDerWaalsContact OD2-CE2 3.32Å; D224-Y237 WeakPolarHBondContact OD2-CE2 3.34Å |
| 225 | P | 93.6 | Very high | 92.1 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.2 | 139.2 | 164 | -23.6 | 34.6 | 0 | 0 | 0 | 110.9 | ||
| 226 | L | 91 | Very high | 92.1 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | trans | -62.2 | 164.6 | 164.2 | -172.8 | 60.3 | 0 | 0 | 0 | 109.3 | T199 D224 W229 G233 V235 A259 M262 | T199-L226 HydrophobicContact CG2-CD1 4.49Å; D224-L226 PolarHBondContact O-N 2.97Å; L226-W229 HydrophobicContact CD1-CZ2 4.35Å; L226-W229 HydrophobicContact CD2-CH2 3.44Å; L226-W229 VanDerWaalsContact CD2-CH2 3.44Å; L226-W229 HydrophobicContact CD2-CZ2 3.75Å; L226-W229 HydrophobicContact CD2-CZ3 4.06Å; L226-W229 HydrophobicContact CG-CH2 4.21Å; L226-W229 HydrophobicContact CG-CZ2 4.01Å; L226-G233 WeakPolarHBondContact CB-O 3.48Å; L226-G233 PolarHBondContact N-O 3.47Å; L226-V235 HydrophobicContact CB-CG2 4.17Å; L226-V235 HydrophobicContact CD1-CG2 3.31Å; L226-V235 HydrophobicContact CG-CG2 4.33Å; L226-A259 HydrophobicContact CD1-CB 4.23Å; L226-A259 HydrophobicContact CD2-CB 4.01Å; L226-M262 HydrophobicContact CD2-SD 4.48Å | ||
| 227 | E | 86.9 | Confident | 92 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | trans | -39.1 | 153.5 | 175.2 | -67.6 | -52.8 | 142.9 | 0 | 0 | 114.2 | F46 W229 S230 | F46-E227 VanDerWaalsContact CA-OE1 3.23Å; F46-E227 WeakPolarHBondContact CA-OE1 3.27Å; F46-E227 WeakPolarHBondContact CB-OE1 3.37Å; F46-E227 WeakPolarHBondContact CD1-OE1 3.23Å; F46-E227 VanDerWaalsContact O-CD 3.25Å; E227-W229 HydrophobicContact CB-CD2 4.45Å; E227-W229 HydrophobicContact CB-CG 4.18Å; E227-W229 PolarHBondContact O-N 3.23Å; E227-S230 PolarHBondContact O-N 2.96Å | ||
| 228 | P | 87.3 | Confident | 91.8 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 71% | 0.708 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -26 | -172.1 | -28.3 | 34.9 | 0 | 0 | 0 | 115.7 | S230 | P228-S230 VanDerWaalsContact C-N 3.26Å; P228-S230 PolarHBondContact O-N 3Å |
| 229 | W | 89.1 | Confident | 91.7 | Very high | 102 Ų | 102 | 46 Ų | 46 | 39% | 0.386 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.4 | 177.2 | 56.1 | -101.3 | 0 | 0 | 0 | 112.9 | L226 E227 A259 L263 M266 | L226-W229 HydrophobicContact CD1-CZ2 4.35Å; L226-W229 HydrophobicContact CD2-CH2 3.44Å; L226-W229 VanDerWaalsContact CD2-CH2 3.44Å; L226-W229 HydrophobicContact CD2-CZ2 3.75Å; L226-W229 HydrophobicContact CD2-CZ3 4.06Å; L226-W229 HydrophobicContact CG-CH2 4.21Å; L226-W229 HydrophobicContact CG-CZ2 4.01Å; E227-W229 HydrophobicContact CB-CD2 4.45Å; E227-W229 HydrophobicContact CB-CG 4.18Å; E227-W229 PolarHBondContact O-N 3.23Å; W229-A259 HydrophobicContact CH2-CB 4.05Å; W229-A259 HydrophobicContact CZ2-CB 4.28Å; W229-L263 HydrophobicContact CD2-CD2 4.33Å; W229-L263 HydrophobicContact CE3-CD2 3.84Å; W229-L263 HydrophobicContact CH2-CD2 4.01Å; W229-L263 HydrophobicContact CH2-CG 4.44Å; W229-L263 HydrophobicContact CZ2-CD2 4.48Å; W229-L263 HydrophobicContact CZ3-CD2 3.67Å; W229-L263 HydrophobicContact CZ3-CG 4.39Å; W229-M266 HydrophobicContact CE3-CE 3.87Å; W229-M266 HydrophobicContact CE3-SD 3.84Å; W229-M266 HydrophobicContact CZ3-SD 3.9Å; W229-M266 WeakPolarHBondContact O-CE 3.4Å |
| 230 | S | 89.5 | Confident | 91.4 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | trans | -102.6 | 115.6 | -178.4 | -168.4 | 0 | 0 | 0 | 0 | 113.4 | E227 P228 V232 G233 | E227-S230 PolarHBondContact O-N 2.96Å; P228-S230 VanDerWaalsContact C-N 3.26Å; P228-S230 PolarHBondContact O-N 3Å; S230-V232 VanDerWaalsContact C-N 3.3Å; S230-V232 PolarHBondContact O-N 3.04Å; S230-V232 PolarHBondContact OG-N 2.98Å; S230-G233 PolarHBondContact OG-N 3.15Å | ||
| 231 | K | 89 | Confident | 91.2 | Very high | 181 Ų | 181 | 48.9 Ų | 48.9 | 79% | 0.787 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -78.1 | -12.1 | 172.3 | -65.8 | -179.8 | -177.7 | 172.4 | 0 | 113.9 | R209 | R209-K231 WeakPolarHBondContact CD-O 3.36Å; R209-K231 PolarHBondContact NE-O 2.85Å |
| 232 | V | 92.6 | Very high | 91 | Very high | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -119.2 | -18.8 | -171 | -62.1 | 0 | 0 | 0 | 0 | 114.4 | R201 T202 T204 S230 Y289 | R201-V232 HydrophobicContact CG-CG2 4.06Å; T202-V232 WeakPolarHBondContact CB-O 3.4Å; T202-V232 PolarHBondContact N-O 2.77Å; T202-V232 PolarHBondContact OG1-O 2.93Å; T204-V232 HydrophobicContact CG2-CG1 3.55Å; S230-V232 VanDerWaalsContact C-N 3.3Å; S230-V232 PolarHBondContact O-N 3.04Å; S230-V232 PolarHBondContact OG-N 2.98Å; V232-Y289 HydrophobicContact CG2-CE2 4.25Å; V232-Y289 WeakPolarHBondContact CG2-OH 3.27Å |
| 233 | G | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 145.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I200 L226 S230 | I200-G233 WeakPolarHBondContact O-CA 3.43Å; L226-G233 WeakPolarHBondContact CB-O 3.48Å; L226-G233 PolarHBondContact N-O 3.47Å; S230-G233 PolarHBondContact OG-N 3.15Å |
| 234 | L | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141.8 | 166.3 | -56.9 | 163.6 | 0 | 0 | 0 | 108.5 | T199 I200 R209 L212 A213 L223 D224 | T199-L234 WeakPolarHBondContact CA-O 3.45Å; I200-L234 HydrophobicContact CD1-CB 3.99Å; I200-L234 HydrophobicContact CD1-CD1 3.84Å; I200-L234 HydrophobicContact CD1-CG 4.49Å; I200-L234 HydrophobicContact CG1-CB 3.62Å; I200-L234 HydrophobicContact CG1-CD1 4.21Å; I200-L234 HydrophobicContact CG1-CG 4.38Å; I200-L234 PolarHBondContact N-O 2.68Å; I200-L234 PolarHBondContact O-N 2.98Å; R209-L234 HydrophobicContact CG-CD1 4.31Å; R209-L234 HydrophobicContact CG-CD2 3.69Å; R209-L234 HydrophobicContact CG-CG 4.02Å; L212-L234 HydrophobicContact CD2-CD1 4.1Å; L212-L234 HydrophobicContact CG-CD1 4.35Å; A213-L234 HydrophobicContact CB-CD1 4.24Å; A213-L234 HydrophobicContact CB-CD2 4.3Å; L223-L234 HydrophobicContact CD1-CB 4.4Å; L223-L234 HydrophobicContact CD1-CD1 4.12Å; L223-L234 HydrophobicContact CD1-CD2 4.01Å; L223-L234 HydrophobicContact CD1-CG 4.4Å; D224-L234 CarbonylContact O-C 3.55Å; D224-L234 WeakPolarHBondContact O-CA 3.23Å |
| 235 | V | 94.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.2 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | P197 T199 L223 D224 L226 Y237 | P197-V235 HydrophobicContact CB-CG1 4.19Å; T199-V235 HydrophobicContact CG2-CG2 4.02Å; L223-V235 CarbonylContact C-O 3.54Å; L223-V235 WeakPolarHBondContact CA-O 3.37Å; L223-V235 WeakPolarHBondContact CB-O 3.41Å; D224-V235 PolarHBondContact N-O 2.8Å; D224-V235 PolarHBondContact O-N 3.42Å; L226-V235 HydrophobicContact CB-CG2 4.17Å; L226-V235 HydrophobicContact CD1-CG2 3.31Å; L226-V235 HydrophobicContact CG-CG2 4.33Å; V235-Y237 HydrophobicContact CG1-CE1 4.2Å |
| 236 | V | 94.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | V198 I200 V221 L223 L243 | V198-V236 HydrophobicContact CB-CB 4.45Å; V198-V236 HydrophobicContact CG1-CB 4.48Å; V198-V236 PolarHBondContact O-N 3.42Å; I200-V236 HydrophobicContact CD1-CG2 4.22Å; I200-V236 HydrophobicContact CG1-CG2 4.37Å; I200-V236 HydrophobicContact CG2-CG2 4.33Å; V221-V236 HydrophobicContact CG1-CG1 3.59Å; V221-V236 HydrophobicContact CG1-CG2 4.39Å; L223-V236 HydrophobicContact CB-CG2 4.22Å; V236-L243 HydrophobicContact CB-CD1 4.17Å; V236-L243 HydrophobicContact CG1-CD1 3.97Å; V236-L243 HydrophobicContact CG1-CD2 4.46Å; V236-L243 HydrophobicContact CG2-CD1 4.04Å |
| 237 | Y | 91.8 | Very high | 90.3 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -35.6 | 178.6 | -65.2 | -71.1 | 0 | 0 | 0 | 112.8 | L42 N222 D224 V235 | L42-Y237 HydrophobicContact CB-CE1 4.33Å; N222-Y237 PolarHBondContact O-N 3.12Å; D224-Y237 HydrophobicContact CB-CE2 3.95Å; D224-Y237 VanDerWaalsContact OD2-CE2 3.32Å; D224-Y237 WeakPolarHBondContact OD2-CE2 3.34Å; V235-Y237 HydrophobicContact CG1-CE1 4.2Å |
| 238 | S | 91.2 | Very high | 90.6 | Very high | 62 Ų | 62 | 50.9 Ų | 50.9 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 142.6 | 178.9 | 62.2 | 0 | 0 | 0 | 0 | 110 | N222 | N222-S238 VanDerWaalsContact CB-OG 3.29Å; N222-S238 WeakPolarHBondContact CB-OG 3.49Å; N222-S238 PolarHBondContact N-O 3.3Å; N222-S238 PolarHBondContact O-N 2.96Å |
| 239 | S | 89.1 | Confident | 90.9 | Very high | 43 Ų | 43 | 48.2 Ų | 48.2 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 137.5 | 174.4 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | V221 V241 | V221-S239 WeakPolarHBondContact CG2-OG 3.33Å; S239-V241 WeakPolarHBondContact CB-O 3.43Å; S239-V241 PolarHBondContact OG-N 3.45Å; S239-V241 PolarHBondContact OG-O 3.5Å |
| 240 | Q | 85 | Confident | 90.9 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 66% | 0.664 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -81.7 | -21.7 | 169.5 | -60.9 | -169.6 | 42 | 0 | 0 | 112.2 | ||
| 241 | V | 87.3 | Confident | 91 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -110.1 | 139.2 | -176.9 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | S239 L243 T246 | S239-V241 WeakPolarHBondContact CB-O 3.43Å; S239-V241 PolarHBondContact OG-N 3.45Å; S239-V241 PolarHBondContact OG-O 3.5Å; V241-L243 PolarHBondContact O-N 2.93Å; V241-L243 VanDerWaalsContact O-N 3.13Å; V241-T246 HydrophobicContact CG1-CG2 4.09Å |
| 242 | P | 90.2 | Very high | 91.1 | Very high | 90 Ų | 90 | 41.6 Ų | 41.6 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | trans | -58.7 | 118 | 172.6 | 22.7 | -33.8 | 0 | 0 | 0 | 111.1 | G244 A245 | P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.16Å; P242-A245 HydrophobicContact CB-CB 4.4Å; P242-A245 HydrophobicContact CG-CB 4.05Å; P242-A245 PolarHBondContact O-N 3.44Å | ||
| 243 | L | 90.9 | Very high | 91.1 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.12 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -61.7 | -24.9 | -177.2 | -64.1 | 175 | 0 | 0 | 0 | 113.1 | V198 V221 V236 V241 A245 Y249 Y254 L256 | V198-L243 HydrophobicContact CG1-CD1 3.82Å; V221-L243 HydrophobicContact CG1-CD2 3.96Å; V221-L243 HydrophobicContact CG2-CD2 4.17Å; V236-L243 HydrophobicContact CB-CD1 4.17Å; V236-L243 HydrophobicContact CG1-CD1 3.97Å; V236-L243 HydrophobicContact CG1-CD2 4.46Å; V236-L243 HydrophobicContact CG2-CD1 4.04Å; V241-L243 PolarHBondContact O-N 2.93Å; V241-L243 VanDerWaalsContact O-N 3.13Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-Y249 WeakPolarHBondContact O-CB 3.46Å; L243-Y254 PolarHBondContact O-OH 3.24Å; L243-L256 HydrophobicContact CB-CD2 4Å; L243-L256 HydrophobicContact CD1-CD2 3.95Å |
| 244 | G | 89.5 | Confident | 91.1 | Very high | 38 Ų | 38 | 44 Ų | 44 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -83 | -1.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P242 Y249 | P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.16Å; G244-Y249 WeakPolarHBondContact O-CD1 3.41Å; G244-Y249 WeakPolarHBondContact O-CE1 3.48Å |
| 245 | A | 88.1 | Confident | 91 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -127.9 | 14.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P242 L243 | P242-A245 HydrophobicContact CB-CB 4.4Å; P242-A245 HydrophobicContact CG-CB 4.05Å; P242-A245 PolarHBondContact O-N 3.44Å; L243-A245 VanDerWaalsContact C-N 3.32Å |
| 246 | T | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -71.2 | 145.3 | 171.6 | 64.2 | 0 | 0 | 0 | 0 | 109.3 | L216 V241 E248 Y249 L250 Y254 | L216-T246 HydrophobicContact CD2-CG2 4.41Å; V241-T246 HydrophobicContact CG1-CG2 4.09Å; T246-E248 WeakPolarHBondContact CB-OE2 3.39Å; T246-E248 PolarHBondContact O-N 2.95Å; T246-Y249 WeakPolarHBondContact O-CB 3.36Å; T246-Y249 PolarHBondContact O-N 3.44Å; T246-Y249 VanDerWaalsContact OG1-CB 3.26Å; T246-Y249 WeakPolarHBondContact OG1-CB 3.36Å; T246-Y249 PolarHBondContact OG1-N 2.72Å; T246-L250 PolarHBondContact O-N 3.44Å; T246-Y254 PolarHBondContact OG1-OH 3.42Å |
| 247 | P | 91.6 | Very high | 90.6 | Very high | 68 Ų | 68 | 48 Ų | 48 | 44% | 0.442 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.7 | -34 | 172 | -29 | 37.5 | 0 | 0 | 0 | 112.8 | L250 A251 | P247-L250 PolarHBondContact O-N 2.9Å; P247-A251 WeakPolarHBondContact O-CB 3.47Å; P247-A251 PolarHBondContact O-N 3.47Å |
| 248 | E | 93 | Very high | 90.5 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.093 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.3 | -63.4 | 79.1 | -173.1 | 0 | 0 | 111.9 | L212 A215 R219 T246 G252 H253 Y254 | L212-E248 HydrophobicContact CD1-CB 4.21Å; L212-E248 HydrophobicContact CD1-CG 4.41Å; A215-E248 HydrophobicContact CB-CG 4.41Å; R219-E248 IonicContact CZ-OE1 3.66Å; R219-E248 IonicContact CZ-OE2 3.2Å; R219-E248 IonicContact NE-OE1 2.72Å; R219-E248 PolarHBondContact NE-OE1 2.93Å; R219-E248 IonicContact NE-OE2 2.78Å; R219-E248 PolarHBondContact NE-OE2 2.87Å; R219-E248 IonicContact NH2-OE1 3.57Å; R219-E248 PolarHBondContact NH2-OE1 2.9Å; R219-E248 IonicContact NH2-OE2 2.76Å; R219-E248 PolarHBondContact NH2-OE2 3.5Å; T246-E248 WeakPolarHBondContact CB-OE2 3.39Å; T246-E248 PolarHBondContact O-N 2.95Å; E248-G252 PolarHBondContact O-N 3.27Å; E248-H253 HydrophobicContact CB-CB 4.11Å; E248-H253 VanDerWaalsContact O-CB 3.24Å; E248-H253 WeakPolarHBondContact O-CB 3.22Å; E248-H253 PolarHBondContact O-N 2.58Å; E248-Y254 HydrophobicContact CB-CD1 4.11Å; E248-Y254 HydrophobicContact CB-CE1 3.75Å |
| 249 | Y | 92.7 | Very high | 90.5 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 173.9 | -178.3 | -100.1 | 0 | 0 | 0 | 111.3 | L243 G244 T246 A251 G252 Y254 L256 | L243-Y249 WeakPolarHBondContact O-CB 3.46Å; G244-Y249 WeakPolarHBondContact O-CD1 3.41Å; G244-Y249 WeakPolarHBondContact O-CE1 3.48Å; T246-Y249 WeakPolarHBondContact O-CB 3.36Å; T246-Y249 PolarHBondContact O-N 3.44Å; T246-Y249 VanDerWaalsContact OG1-CB 3.26Å; T246-Y249 WeakPolarHBondContact OG1-CB 3.36Å; T246-Y249 PolarHBondContact OG1-N 2.72Å; Y249-A251 VanDerWaalsContact C-N 3.29Å; Y249-A251 PolarHBondContact O-N 3.24Å; Y249-G252 WeakPolarHBondContact O-CA 3.33Å; Y249-G252 PolarHBondContact O-N 3.37Å; Y249-Y254 HydrophobicContact CD2-CD2 4.06Å; Y249-Y254 AromaticContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CG-CE2 4.38Å; Y249-L256 HydrophobicContact CE2-CD1 4.33Å; Y249-L256 HydrophobicContact CE2-CG 4.29Å |
| 250 | L | 90.2 | Very high | 90.5 | Very high | 107 Ų | 107 | 45.8 Ų | 45.8 | 56% | 0.56 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.4 | -31.8 | 179 | -64.2 | 175.3 | 0 | 0 | 0 | 112.6 | T246 P247 G252 L319 | T246-L250 PolarHBondContact O-N 3.44Å; P247-L250 PolarHBondContact O-N 2.9Å; L250-G252 PolarHBondContact O-N 3.32Å; L250-L319 WeakPolarHBondContact O-CD1 3.49Å |
| 251 | A | 90.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K206 P247 Y249 | K206-A251 VanDerWaalsContact CD-O 3.3Å; K206-A251 WeakPolarHBondContact CD-O 3.45Å; K206-A251 PolarHBondContact NZ-O 2.87Å; P247-A251 WeakPolarHBondContact O-CB 3.47Å; P247-A251 PolarHBondContact O-N 3.47Å; Y249-A251 VanDerWaalsContact C-N 3.29Å; Y249-A251 PolarHBondContact O-N 3.24Å |
| 252 | G | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 25.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N203 E248 Y249 L250 Y254 L320 | N203-G252 VanDerWaalsContact CB-O 3.23Å; N203-G252 WeakPolarHBondContact CB-O 3.36Å; N203-G252 PolarHBondContact ND2-O 3.27Å; E248-G252 PolarHBondContact O-N 3.27Å; Y249-G252 WeakPolarHBondContact O-CA 3.33Å; Y249-G252 PolarHBondContact O-N 3.37Å; L250-G252 PolarHBondContact O-N 3.32Å; G252-Y254 PolarHBondContact O-N 3.48Å; G252-L320 VanDerWaalsContact O-CD2 3.25Å; G252-L320 WeakPolarHBondContact O-CD2 3.24Å |
| 253 | H | 92.7 | Very high | 90.8 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -70.7 | -23.1 | 175.8 | -68.1 | -177.3 | 0 | 0 | 0 | 112.4 | N203 T207 L212 E248 | N203-H253 WeakPolarHBondContact CB-O 3.45Å; N203-H253 PolarHBondContact N-O 3.21Å; T207-H253 HydrophobicContact CG2-CB 3.79Å; L212-H253 HydrophobicContact CD1-CB 4.17Å; E248-H253 HydrophobicContact CB-CB 4.11Å; E248-H253 VanDerWaalsContact O-CB 3.24Å; E248-H253 WeakPolarHBondContact O-CB 3.22Å; E248-H253 PolarHBondContact O-N 2.58Å |
| 254 | Y | 93.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 165.7 | 174 | 67.9 | -88.8 | 0 | 0 | 0 | 111.9 | I200 R201 L212 L216 L243 T246 E248 Y249 G252 | I200-Y254 HydrophobicContact CB-CD2 3.89Å; I200-Y254 HydrophobicContact CB-CE2 4.49Å; I200-Y254 HydrophobicContact CD1-CD2 4.34Å; I200-Y254 HydrophobicContact CD1-CG 4.5Å; I200-Y254 HydrophobicContact CG2-CD2 3.76Å; I200-Y254 HydrophobicContact CG2-CE2 3.89Å; R201-Y254 VanDerWaalsContact O-CA 3.22Å; R201-Y254 WeakPolarHBondContact O-CA 3.34Å; R201-Y254 VanDerWaalsContact O-CB 3.29Å; R201-Y254 WeakPolarHBondContact O-CB 3.46Å; L212-Y254 HydrophobicContact CD1-CD1 3.63Å; L212-Y254 HydrophobicContact CD1-CE1 4.21Å; L212-Y254 HydrophobicContact CD2-CD1 4.12Å; L212-Y254 HydrophobicContact CD2-CG 4.2Å; L212-Y254 HydrophobicContact CG-CD1 4.46Å; L216-Y254 HydrophobicContact CD1-CE1 4.23Å; L216-Y254 HydrophobicContact CD2-CE1 4.01Å; L243-Y254 PolarHBondContact O-OH 3.24Å; T246-Y254 PolarHBondContact OG1-OH 3.42Å; E248-Y254 HydrophobicContact CB-CD1 4.11Å; E248-Y254 HydrophobicContact CB-CE1 3.75Å; Y249-Y254 HydrophobicContact CD2-CD2 4.06Å; Y249-Y254 AromaticContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CG-CE2 4.38Å; G252-Y254 PolarHBondContact O-N 3.48Å |
| 255 | I | 92 | Very high | 90.7 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.2 | 172.4 | -170.6 | 174.9 | 0 | 0 | 0 | 109.6 | I200 R201 Q257 L316 L320 | I200-I255 WeakPolarHBondContact CA-O 3.5Å; R201-I255 HydrophobicContact CB-CG2 3.88Å; R201-I255 PolarHBondContact N-O 3.36Å; R201-I255 PolarHBondContact O-N 2.89Å; I255-Q257 HydrophobicContact CG2-CB 4.35Å; I255-Q257 PolarHBondContact O-N 2.93Å; I255-L316 HydrophobicContact CD1-CD1 4.13Å; I255-L316 HydrophobicContact CD1-CD2 3.68Å; I255-L316 HydrophobicContact CD1-CG 4.45Å; I255-L316 HydrophobicContact CG1-CD2 4.29Å; I255-L320 HydrophobicContact CD1-CD1 4.32Å |
| 256 | L | 91.7 | Very high | 90.8 | Very high | 70 Ų | 70 | 38.5 Ų | 38.5 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 117 | 170 | -68.7 | 164.6 | 0 | 0 | 0 | 108.2 | V198 I200 L243 Y249 | V198-L256 HydrophobicContact CG1-CD2 4.11Å; I200-L256 HydrophobicContact CG2-CD2 3.53Å; I200-L256 HydrophobicContact CG2-CG 4.46Å; L243-L256 HydrophobicContact CB-CD2 4Å; L243-L256 HydrophobicContact CD1-CD2 3.95Å; Y249-L256 HydrophobicContact CE2-CD1 4.33Å; Y249-L256 HydrophobicContact CE2-CG 4.29Å |
| 257 | Q | 89.7 | Confident | 90.8 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | trans | -154.7 | 130.7 | -174.1 | -175.6 | 174.2 | 14.5 | 0 | 0 | 109.9 | T199 R201 I255 M262 G285 | T199-Q257 CarbonylContact C-O 3.39Å; T199-Q257 WeakPolarHBondContact CB-O 3.4Å; T199-Q257 CarbonylContact O-C 3.59Å; T199-Q257 PolarHBondContact O-N 2.81Å; T199-Q257 PolarHBondContact OG1-O 2.77Å; R201-Q257 HydrophobicContact CB-CB 4.46Å; R201-Q257 VanDerWaalsContact CD-OE1 3.24Å; I255-Q257 HydrophobicContact CG2-CB 4.35Å; I255-Q257 PolarHBondContact O-N 2.93Å; Q257-M262 HydrophobicContact CB-CE 4.49Å; Q257-G285 PolarHBondContact NE2-O 3.18Å | ||
| 258 | G | 89.5 | Confident | 90.7 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | trans | -59.3 | 143.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T199 S260 S261 | T199-G258 VanDerWaalsContact OG1-C 3.3Å; T199-G258 VanDerWaalsContact OG1-CA 3.23Å; T199-G258 WeakPolarHBondContact OG1-CA 3.16Å; G258-S260 VanDerWaalsContact C-N 3.32Å; G258-S260 PolarHBondContact O-N 3.5Å; G258-S261 VanDerWaalsContact O-CB 3.3Å; G258-S261 WeakPolarHBondContact O-CB 3.3Å; G258-S261 PolarHBondContact O-N 2.93Å | ||
| 259 | A | 91 | Very high | 90.6 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -53 | -46.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T199 L226 W229 S261 M262 | T199-A259 HydrophobicContact CG2-CB 4.25Å; T199-A259 PolarHBondContact OG1-N 3.23Å; L226-A259 HydrophobicContact CD1-CB 4.23Å; L226-A259 HydrophobicContact CD2-CB 4.01Å; W229-A259 HydrophobicContact CH2-CB 4.05Å; W229-A259 HydrophobicContact CZ2-CB 4.28Å; A259-S261 PolarHBondContact O-N 3.1Å; A259-S261 VanDerWaalsContact O-N 3.13Å; A259-M262 WeakPolarHBondContact O-CB 3.38Å; A259-M262 PolarHBondContact O-N 2.77Å |
| 260 | S | 89.5 | Confident | 90.3 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -60.1 | -25.7 | 177.8 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | G258 M262 L263 P264 | G258-S260 VanDerWaalsContact C-N 3.32Å; G258-S260 PolarHBondContact O-N 3.5Å; S260-M262 PolarHBondContact O-N 2.82Å; S260-L263 PolarHBondContact O-N 3.29Å; S260-P264 VanDerWaalsContact O-CD 3.29Å; S260-P264 WeakPolarHBondContact O-CD 3.35Å |
| 261 | S | 88 | Confident | 90.2 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -73.5 | -15.3 | 178.7 | -78.4 | 0 | 0 | 0 | 0 | 114.1 | G258 A259 K286 | G258-S261 VanDerWaalsContact O-CB 3.3Å; G258-S261 WeakPolarHBondContact O-CB 3.3Å; G258-S261 PolarHBondContact O-N 2.93Å; A259-S261 PolarHBondContact O-N 3.1Å; A259-S261 VanDerWaalsContact O-N 3.13Å; S261-K286 VanDerWaalsContact CA-NZ 3.29Å; S261-K286 PolarHBondContact O-NZ 3.26Å; S261-K286 PolarHBondContact OG-NZ 2.76Å |
| 262 | M | 89.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -28.4 | 176.5 | -53.2 | -174.1 | -160 | 0 | 0 | 112 | R201 L226 Q257 A259 S260 V265 M266 Y289 | R201-M262 HydrophobicContact CB-CE 3.72Å; R201-M262 HydrophobicContact CB-SD 4.23Å; R201-M262 HydrophobicContact CG-CE 4.41Å; R201-M262 HydrophobicContact CG-SD 4.27Å; L226-M262 HydrophobicContact CD2-SD 4.48Å; Q257-M262 HydrophobicContact CB-CE 4.49Å; A259-M262 WeakPolarHBondContact O-CB 3.38Å; A259-M262 PolarHBondContact O-N 2.77Å; S260-M262 PolarHBondContact O-N 2.82Å; M262-V265 PolarHBondContact O-N 2.79Å; M262-M266 HydrophobicContact CB-SD 4.46Å; M262-M266 WeakPolarHBondContact O-CG 3.27Å; M262-M266 PolarHBondContact O-N 3.33Å; M262-M266 VanDerWaalsContact O-N 3.15Å; M262-Y289 HydrophobicContact CB-CE1 4.14Å |
| 263 | L | 91.3 | Very high | 89.6 | Confident | 84 Ų | 84 | 52.8 Ų | 52.8 | 44% | 0.44 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | -174.3 | -64 | 172.7 | 0 | 0 | 0 | 113.6 | W229 S260 V265 M266 A267 | W229-L263 HydrophobicContact CD2-CD2 4.33Å; W229-L263 HydrophobicContact CE3-CD2 3.84Å; W229-L263 HydrophobicContact CH2-CD2 4.01Å; W229-L263 HydrophobicContact CH2-CG 4.44Å; W229-L263 HydrophobicContact CZ2-CD2 4.48Å; W229-L263 HydrophobicContact CZ3-CD2 3.67Å; W229-L263 HydrophobicContact CZ3-CG 4.39Å; S260-L263 PolarHBondContact O-N 3.29Å; L263-V265 VanDerWaalsContact C-N 3.3Å; L263-V265 PolarHBondContact O-N 3.44Å; L263-M266 PolarHBondContact O-N 3.3Å; L263-M266 VanDerWaalsContact O-N 3.14Å; L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.49Å |
| 264 | P | 90.3 | Very high | 89.3 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 43% | 0.429 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -37.2 | -179.4 | -26 | 35.6 | 0 | 0 | 0 | 113.5 | S260 A267 L268 | S260-P264 VanDerWaalsContact O-CD 3.29Å; S260-P264 WeakPolarHBondContact O-CD 3.35Å; P264-A267 PolarHBondContact O-N 3.27Å; P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 PolarHBondContact O-N 2.93Å |
| 265 | V | 88.6 | Confident | 88.7 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74.3 | -33.7 | 179.5 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | M262 L263 L268 S269 P270 K286 Y289 I290 | M262-V265 PolarHBondContact O-N 2.79Å; L263-V265 VanDerWaalsContact C-N 3.3Å; L263-V265 PolarHBondContact O-N 3.44Å; V265-L268 PolarHBondContact O-N 2.83Å; V265-S269 PolarHBondContact O-N 2.92Å; V265-P270 WeakPolarHBondContact O-CD 3.28Å; V265-K286 HydrophobicContact CG2-CB 3.89Å; V265-K286 HydrophobicContact CG2-CG 4.43Å; V265-Y289 HydrophobicContact CB-CD1 3.57Å; V265-Y289 HydrophobicContact CB-CE1 4.1Å; V265-Y289 HydrophobicContact CB-CG 4.18Å; V265-Y289 HydrophobicContact CG1-CD1 3.61Å; V265-Y289 HydrophobicContact CG1-CD2 4.41Å; V265-Y289 HydrophobicContact CG1-CE1 4.16Å; V265-Y289 HydrophobicContact CG1-CG 3.74Å; V265-Y289 HydrophobicContact CG2-CD1 4.08Å; V265-I290 HydrophobicContact CB-CG1 4.47Å; V265-I290 HydrophobicContact CG1-CG1 3.73Å; V265-I290 HydrophobicContact CG2-CD1 4.37Å; V265-I290 HydrophobicContact CG2-CG1 4Å |
| 266 | M | 88.9 | Confident | 88.2 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 27% | 0.271 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 173.5 | -68.6 | 176.9 | 54.3 | 0 | 0 | 111.7 | W229 M262 L263 L268 S269 Y289 | W229-M266 HydrophobicContact CE3-CE 3.87Å; W229-M266 HydrophobicContact CE3-SD 3.84Å; W229-M266 HydrophobicContact CZ3-SD 3.9Å; W229-M266 WeakPolarHBondContact O-CE 3.4Å; M262-M266 HydrophobicContact CB-SD 4.46Å; M262-M266 WeakPolarHBondContact O-CG 3.27Å; M262-M266 PolarHBondContact O-N 3.33Å; M262-M266 VanDerWaalsContact O-N 3.15Å; L263-M266 PolarHBondContact O-N 3.3Å; L263-M266 VanDerWaalsContact O-N 3.14Å; M266-L268 VanDerWaalsContact C-N 3.33Å; M266-S269 PolarHBondContact O-N 2.9Å; M266-S269 PolarHBondContact O-OG 2.94Å; M266-Y289 HydrophobicContact CG-CE1 4.03Å |
| 267 | A | 91.4 | Very high | 87.8 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 71% | 0.711 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L263 P264 S269 | L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.49Å; P264-A267 PolarHBondContact O-N 3.27Å; A267-S269 PolarHBondContact O-N 3.31Å |
| 268 | L | 90.3 | Very high | 87.4 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -30.3 | 174.9 | -176 | 63.5 | 0 | 0 | 0 | 112.7 | P264 V265 M266 I276 I290 | P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 PolarHBondContact O-N 2.93Å; V265-L268 PolarHBondContact O-N 2.83Å; M266-L268 VanDerWaalsContact C-N 3.33Å; L268-I276 HydrophobicContact CD2-CG2 4.32Å; L268-I290 HydrophobicContact CD2-CD1 4.23Å; L268-I290 HydrophobicContact CD2-CG1 4.47Å |
| 269 | S | 89.6 | Confident | 87 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | trans | 46.2 | 55 | 178.1 | -74.2 | 0 | 0 | 0 | 0 | 114.4 | V265 M266 A267 Q271 | V265-S269 PolarHBondContact O-N 2.92Å; M266-S269 PolarHBondContact O-N 2.9Å; M266-S269 PolarHBondContact O-OG 2.94Å; A267-S269 PolarHBondContact O-N 3.31Å; S269-Q271 PolarHBondContact O-NE2 2.92Å | ||
| 270 | P | 87.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 139.7 | -175.4 | 28.8 | -38.4 | 0 | 0 | 0 | 112.7 | V265 I276 F293 | V265-P270 WeakPolarHBondContact O-CD 3.28Å; P270-I276 HydrophobicContact CB-CD1 3.31Å; P270-I276 HydrophobicContact CG-CD1 4.46Å; P270-F293 HydrophobicContact CB-CB 3.95Å; P270-F293 HydrophobicContact CB-CD2 4.3Å; P270-F293 HydrophobicContact CB-CG 4.21Å; P270-F293 HydrophobicContact CG-CB 3.97Å; P270-F293 HydrophobicContact CG-CD1 4.46Å; P270-F293 HydrophobicContact CG-CD2 3.38Å; P270-F293 HydrophobicContact CG-CE2 3.86Å; P270-F293 HydrophobicContact CG-CG 3.7Å; P270-F293 VanDerWaalsContact O-CD1 3.23Å; P270-F293 WeakPolarHBondContact O-CD1 3.44Å; P270-F293 WeakPolarHBondContact O-CG 3.47Å |
| 271 | Q | 88 | Confident | 85.5 | Confident | 111 Ų | 111 | 70.1 Ų | 70.1 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -98 | 161.6 | 179.4 | -54.6 | -59.5 | -47.4 | 0 | 0 | 112.8 | S269 G273 E274 | S269-Q271 PolarHBondContact O-NE2 2.92Å; Q271-G273 PolarHBondContact O-N 2.89Å; Q271-E274 VanDerWaalsContact CB-CD 3.48Å; Q271-E274 HydrophobicContact CB-CG 3.93Å; Q271-E274 PolarHBondContact N-OE2 3.26Å; Q271-E274 PolarHBondContact O-N 3.14Å |
| 272 | L | 84.6 | Confident | 84.6 | Confident | 156 Ų | 156 | 70.4 Ų | 70.4 | 82% | 0.817 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 123 | -179.4 | -170.2 | 64.3 | 0 | 0 | 0 | 111.1 | F293 | L272-F293 WeakPolarHBondContact CA-O 3.32Å; L272-F293 VanDerWaalsContact CD1-O 3.25Å; L272-F293 WeakPolarHBondContact CD1-O 3.34Å |
| 273 | G | 82.8 | Confident | 83.5 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 0.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q271 F293 | Q271-G273 PolarHBondContact O-N 2.89Å; G273-F293 PolarHBondContact N-O 3.14Å |
| 274 | E | 86.2 | Confident | 82.7 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | trans | -67.7 | 150 | 172.4 | -73.6 | -179.4 | 163.6 | 0 | 0 | 111.9 | Q271 I276 I295 | Q271-E274 VanDerWaalsContact CB-CD 3.48Å; Q271-E274 HydrophobicContact CB-CG 3.93Å; Q271-E274 PolarHBondContact N-OE2 3.26Å; Q271-E274 PolarHBondContact O-N 3.14Å; E274-I276 HydrophobicContact CB-CG1 4.34Å; E274-I295 PolarHBondContact O-N 3.32Å | ||
| 275 | R | 82.1 | Confident | 82.2 | Confident | 204 Ų | 204 | 68.1 Ų | 68.1 | 77% | 0.77 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110.8 | 175.4 | -76 | -169.5 | -51.5 | 172.4 | -5 | 108.7 | V297 | R275-V297 HydrophobicContact CB-CG2 3.43Å; R275-V297 VanDerWaalsContact CB-CG2 3.43Å; R275-V297 HydrophobicContact CG-CG2 3.42Å; R275-V297 VanDerWaalsContact CG-CG2 3.42Å |
| 276 | I | 81.9 | Confident | 82.1 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.6 | -174.9 | -58.3 | 167.2 | 0 | 0 | 0 | 109.5 | L268 P270 E274 I290 I295 V297 | L268-I276 HydrophobicContact CD2-CG2 4.32Å; P270-I276 HydrophobicContact CB-CD1 3.31Å; P270-I276 HydrophobicContact CG-CD1 4.46Å; E274-I276 HydrophobicContact CB-CG1 4.34Å; I276-I290 HydrophobicContact CB-CG2 3.92Å; I276-I290 HydrophobicContact CD1-CG2 3.49Å; I276-I290 VanDerWaalsContact CD1-CG2 3.49Å; I276-I290 HydrophobicContact CG1-CG2 4.3Å; I276-I290 HydrophobicContact CG2-CD1 4.36Å; I276-I290 HydrophobicContact CG2-CG2 3.78Å; I276-I295 PolarHBondContact N-O 3.3Å; I276-V297 PolarHBondContact O-N 3.35Å |
| 277 | L | 82.2 | Confident | 81.9 | Confident | 102 Ų | 102 | 69.7 Ų | 69.7 | 53% | 0.534 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.5 | 177.6 | 177.6 | 62.7 | 0 | 0 | 0 | 109.2 | L279 | L277-L279 HydrophobicContact CD2-CD2 3.74Å; L277-L279 HydrophobicContact CG-CD2 3.92Å |
| 278 | D | 81.5 | Confident | 81.5 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.134 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 107.7 | 173.9 | -169.1 | -14 | 0 | 0 | 0 | 109.6 | C280 T287 L296 G298 V299 L300 | D278-C280 PolarHBondContact OD1-N 3.44Å; D278-T287 HydrophobicContact CB-CG2 4.39Å; D278-T287 WeakPolarHBondContact OD2-CB 3.38Å; D278-T287 PolarHBondContact OD2-OG1 3.22Å; D278-L296 HydrophobicContact CB-CD1 4.28Å; D278-G298 PolarHBondContact N-O 3.42Å; D278-G298 VanDerWaalsContact N-O 3.13Å; D278-V299 WeakPolarHBondContact O-CA 3.42Å; D278-L300 PolarHBondContact O-N 2.91Å; D278-L300 VanDerWaalsContact O-N 3.15Å |
| 279 | L | 80.7 | Confident | 81.3 | Confident | 104 Ų | 104 | 62 Ų | 62 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -74.5 | -25.6 | -174.4 | -64.2 | 178.4 | 0 | 0 | 0 | 113.5 | L277 L300 | L277-L279 HydrophobicContact CD2-CD2 3.74Å; L277-L279 HydrophobicContact CG-CD2 3.92Å; L279-L300 HydrophobicContact CD2-CD1 3.73Å; L279-L300 WeakPolarHBondContact O-CB 3.39Å |
| 280 | C | 77.7 | Confident | 81.1 | Confident | 87 Ų | 87 | 59 Ų | 59 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | trans | -143.7 | 70.1 | -173.9 | -78.9 | 0 | 0 | 0 | 0 | 109.9 | D278 A282 | D278-C280 PolarHBondContact OD1-N 3.44Å; C280-A282 PolarHBondContact O-N 3.42Å | ||
| 281 | A | 71.6 | Confident | 80.6 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | trans | -72.6 | -24.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G284 T287 V299 V313 | A281-G284 VanDerWaalsContact O-CA 3.23Å; A281-G284 WeakPolarHBondContact O-CA 3.36Å; A281-G284 PolarHBondContact O-N 3.39Å; A281-T287 WeakPolarHBondContact CB-OG1 3.49Å; A281-V299 HydrophobicContact CB-CB 4.46Å; A281-V299 HydrophobicContact CB-CG1 3.41Å; A281-V299 VanDerWaalsContact CB-CG1 3.41Å; A281-V299 HydrophobicContact CB-CG2 4.32Å; A281-V313 HydrophobicContact CB-CG1 4.34Å | ||
| 282 | A | 70.1 | Confident | 80 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 126.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C280 V305 V313 | C280-A282 PolarHBondContact O-N 3.42Å; A282-V305 HydrophobicContact CB-CG1 4.11Å; A282-V305 HydrophobicContact CB-CG2 4.43Å; A282-V313 VanDerWaalsContact CA-CG2 3.46Å; A282-V313 HydrophobicContact CB-CG2 3.57Å |
| 283 | P | 65.8 | Low | 79.6 | Confident | 90 Ų | 90 | 53.4 Ų | 53.4 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -98.9 | 46.2 | 10.8 | 39 | -38.1 | 0 | 0 | 0 | 116.3 | G285 L316 | P283-G285 PolarHBondContact O-N 3.31Å; P283-L316 WeakPolarHBondContact O-CD1 3.43Å |
| 284 | G | 74.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 68.7 | -8.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | A281 K286 T287 T288 | A281-G284 VanDerWaalsContact O-CA 3.23Å; A281-G284 WeakPolarHBondContact O-CA 3.36Å; A281-G284 PolarHBondContact O-N 3.39Å; G284-K286 VanDerWaalsContact C-N 3.35Å; G284-K286 PolarHBondContact O-N 2.89Å; G284-T287 PolarHBondContact O-N 3.38Å; G284-T288 WeakPolarHBondContact O-CB 3.35Å; G284-T288 WeakPolarHBondContact O-CG2 3.32Å; G284-T288 PolarHBondContact O-N 3.48Å; G284-T288 PolarHBondContact O-OG1 3.01Å |
| 285 | G | 81.6 | Confident | 77.5 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R201 Q257 P283 T288 | R201-G285 PolarHBondContact NH2-O 3.2Å; Q257-G285 PolarHBondContact NE2-O 3.18Å; P283-G285 PolarHBondContact O-N 3.31Å; G285-T288 WeakPolarHBondContact CA-OG1 3.32Å; G285-T288 PolarHBondContact O-OG1 3.42Å; G285-T288 VanDerWaalsContact O-OG1 3.05Å |
| 286 | K | 85.5 | Confident | 76.4 | Confident | 78 Ų | 78 | 45.9 Ų | 45.9 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -43.6 | 176.6 | -58.1 | -171.8 | -162.9 | -52.7 | 0 | 111.3 | S261 V265 G284 T288 Y289 I290 | S261-K286 VanDerWaalsContact CA-NZ 3.29Å; S261-K286 PolarHBondContact O-NZ 3.26Å; S261-K286 PolarHBondContact OG-NZ 2.76Å; V265-K286 HydrophobicContact CG2-CB 3.89Å; V265-K286 HydrophobicContact CG2-CG 4.43Å; G284-K286 VanDerWaalsContact C-N 3.35Å; G284-K286 PolarHBondContact O-N 2.89Å; K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 2.93Å; K286-Y289 WeakPolarHBondContact O-CA 3.47Å; K286-Y289 WeakPolarHBondContact O-CB 3.33Å; K286-Y289 PolarHBondContact O-N 3.1Å; K286-I290 WeakPolarHBondContact O-CG1 3.3Å; K286-I290 PolarHBondContact O-N 3.39Å |
| 287 | T | 84.1 | Confident | 75 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.4 | -44.9 | 175.1 | -34.4 | 0 | 0 | 0 | 0 | 111.5 | D278 A281 G284 Y289 I290 G291 L296 V299 | D278-T287 HydrophobicContact CB-CG2 4.39Å; D278-T287 WeakPolarHBondContact OD2-CB 3.38Å; D278-T287 PolarHBondContact OD2-OG1 3.22Å; A281-T287 WeakPolarHBondContact CB-OG1 3.49Å; G284-T287 PolarHBondContact O-N 3.38Å; T287-Y289 PolarHBondContact O-N 2.97Å; T287-I290 PolarHBondContact O-N 3.35Å; T287-I290 VanDerWaalsContact O-N 3.17Å; T287-G291 PolarHBondContact O-N 2.78Å; T287-L296 HydrophobicContact CG2-CD1 3.87Å; T287-L296 HydrophobicContact CG2-CD2 3.41Å; T287-L296 VanDerWaalsContact CG2-CD2 3.41Å; T287-L296 HydrophobicContact CG2-CG 4.3Å; T287-V299 HydrophobicContact CG2-CG2 4.34Å |
| 288 | T | 83.6 | Confident | 73.7 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.8 | -9 | 175.8 | 54 | 0 | 0 | 0 | 0 | 113.7 | R201 G284 G285 K286 L316 P317 L320 F322 | R201-T288 PolarHBondContact NH1-O 2.76Å; R201-T288 VanDerWaalsContact NH2-C 3.26Å; R201-T288 PolarHBondContact NH2-O 3.19Å; R201-T288 PolarHBondContact NH2-OG1 2.93Å; G284-T288 WeakPolarHBondContact O-CB 3.35Å; G284-T288 WeakPolarHBondContact O-CG2 3.32Å; G284-T288 PolarHBondContact O-N 3.48Å; G284-T288 PolarHBondContact O-OG1 3.01Å; G285-T288 WeakPolarHBondContact CA-OG1 3.32Å; G285-T288 PolarHBondContact O-OG1 3.42Å; G285-T288 VanDerWaalsContact O-OG1 3.05Å; K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 2.93Å; T288-L316 HydrophobicContact CG2-CB 4.42Å; T288-P317 HydrophobicContact CG2-CG 4.42Å; T288-L320 HydrophobicContact CG2-CD1 3.55Å; T288-F322 HydrophobicContact CG2-CD2 4.2Å; T288-F322 HydrophobicContact CG2-CE2 3.96Å; T288-F322 WeakPolarHBondContact O-CE2 3.16Å; T288-F322 WeakPolarHBondContact O-CZ 3.5Å |
| 289 | Y | 86.1 | Confident | 72.5 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 8% | 0.078 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -91.6 | -37.8 | 169.1 | -164.2 | -168.9 | 0 | 0 | 0 | 111.2 | R201 V232 M262 V265 M266 K286 T287 K292 | R201-Y289 VanDerWaalsContact CZ-CB 3.49Å; R201-Y289 VanDerWaalsContact NH1-CB 3.33Å; V232-Y289 HydrophobicContact CG2-CE2 4.25Å; V232-Y289 WeakPolarHBondContact CG2-OH 3.27Å; M262-Y289 HydrophobicContact CB-CE1 4.14Å; V265-Y289 HydrophobicContact CB-CD1 3.57Å; V265-Y289 HydrophobicContact CB-CE1 4.1Å; V265-Y289 HydrophobicContact CB-CG 4.18Å; V265-Y289 HydrophobicContact CG1-CD1 3.61Å; V265-Y289 HydrophobicContact CG1-CD2 4.41Å; V265-Y289 HydrophobicContact CG1-CE1 4.16Å; V265-Y289 HydrophobicContact CG1-CG 3.74Å; V265-Y289 HydrophobicContact CG2-CD1 4.08Å; M266-Y289 HydrophobicContact CG-CE1 4.03Å; K286-Y289 WeakPolarHBondContact O-CA 3.47Å; K286-Y289 WeakPolarHBondContact O-CB 3.33Å; K286-Y289 PolarHBondContact O-N 3.1Å; T287-Y289 PolarHBondContact O-N 2.97Å; Y289-K292 WeakPolarHBondContact O-CB 3.29Å |
| 290 | I | 84.9 | Confident | 71 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 174.9 | -66.6 | 168.8 | 0 | 0 | 0 | 111.5 | V265 L268 I276 K286 T287 K292 F293 L296 | V265-I290 HydrophobicContact CB-CG1 4.47Å; V265-I290 HydrophobicContact CG1-CG1 3.73Å; V265-I290 HydrophobicContact CG2-CD1 4.37Å; V265-I290 HydrophobicContact CG2-CG1 4Å; L268-I290 HydrophobicContact CD2-CD1 4.23Å; L268-I290 HydrophobicContact CD2-CG1 4.47Å; I276-I290 HydrophobicContact CB-CG2 3.92Å; I276-I290 HydrophobicContact CD1-CG2 3.49Å; I276-I290 VanDerWaalsContact CD1-CG2 3.49Å; I276-I290 HydrophobicContact CG1-CG2 4.3Å; I276-I290 HydrophobicContact CG2-CD1 4.36Å; I276-I290 HydrophobicContact CG2-CG2 3.78Å; K286-I290 WeakPolarHBondContact O-CG1 3.3Å; K286-I290 PolarHBondContact O-N 3.39Å; T287-I290 PolarHBondContact O-N 3.35Å; T287-I290 VanDerWaalsContact O-N 3.17Å; I290-K292 PolarHBondContact O-N 3.03Å; I290-F293 PolarHBondContact O-N 3.01Å; I290-L296 HydrophobicContact CG2-CD1 4.21Å |
| 291 | G | 78.5 | Confident | 69.8 | Low | 20 Ų | 20 | 46.2 Ų | 46.2 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T287 F293 F322 | T287-G291 PolarHBondContact O-N 2.78Å; G291-F293 PolarHBondContact O-N 2.6Å; G291-F322 WeakPolarHBondContact O-CE1 3.27Å |
| 292 | K | 75.4 | Confident | 68.6 | Low | 70 Ų | 70 | 50.6 Ų | 50.6 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.4 | 171.4 | 179.4 | -169.7 | 172.4 | 170.9 | 0 | 112 | T204 L205 Y289 I290 | T204-K292 WeakPolarHBondContact OG1-CD 3.19Å; T204-K292 WeakPolarHBondContact OG1-CE 3.36Å; T204-K292 PolarHBondContact OG1-NZ 3.04Å; L205-K292 HydrophobicContact CD2-CG 4.15Å; Y289-K292 WeakPolarHBondContact O-CB 3.29Å; I290-K292 PolarHBondContact O-N 3.03Å |
| 293 | F | 74.6 | Confident | 67.2 | Low | 62 Ų | 62 | 57.7 Ų | 57.7 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -34.6 | -170.8 | -60 | -88.4 | 0 | 0 | 0 | 112.5 | P270 L272 G273 I290 G291 | P270-F293 HydrophobicContact CB-CB 3.95Å; P270-F293 HydrophobicContact CB-CD2 4.3Å; P270-F293 HydrophobicContact CB-CG 4.21Å; P270-F293 HydrophobicContact CG-CB 3.97Å; P270-F293 HydrophobicContact CG-CD1 4.46Å; P270-F293 HydrophobicContact CG-CD2 3.38Å; P270-F293 HydrophobicContact CG-CE2 3.86Å; P270-F293 HydrophobicContact CG-CG 3.7Å; P270-F293 VanDerWaalsContact O-CD1 3.23Å; P270-F293 WeakPolarHBondContact O-CD1 3.44Å; P270-F293 WeakPolarHBondContact O-CG 3.47Å; L272-F293 WeakPolarHBondContact CA-O 3.32Å; L272-F293 VanDerWaalsContact CD1-O 3.25Å; L272-F293 WeakPolarHBondContact CD1-O 3.34Å; G273-F293 PolarHBondContact N-O 3.14Å; I290-F293 PolarHBondContact O-N 3.01Å; G291-F293 PolarHBondContact O-N 2.6Å |
| 294 | G | 66.3 | Low | 66.2 | Low | 15 Ų | 15 | 60.7 Ų | 60.7 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -148.8 | 174.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L296 | G294-L296 PolarHBondContact O-N 3.27Š|
| 295 | I | 59.5 | Low | 64.9 | Low | 125 Ų | 125 | 63.2 Ų | 63.2 | 64% | 0.641 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120 | 173.3 | -60.8 | 174.1 | 0 | 0 | 0 | 107.2 | E274 I276 V297 | E274-I295 PolarHBondContact O-N 3.32Å; I276-I295 PolarHBondContact N-O 3.3Å; I295-V297 PolarHBondContact O-N 3.38Å |
| 296 | L | 59.7 | Low | 62.7 | Low | 53 Ų | 53 | 72.6 Ų | 72.6 | 28% | 0.277 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.3 | 174 | -160.2 | 89.3 | 0 | 0 | 0 | 108.9 | D278 T287 I290 G294 V299 | D278-L296 HydrophobicContact CB-CD1 4.28Å; T287-L296 HydrophobicContact CG2-CD1 3.87Å; T287-L296 HydrophobicContact CG2-CD2 3.41Å; T287-L296 VanDerWaalsContact CG2-CD2 3.41Å; T287-L296 HydrophobicContact CG2-CG 4.3Å; I290-L296 HydrophobicContact CG2-CD1 4.21Å; G294-L296 PolarHBondContact O-N 3.27Å; L296-V299 HydrophobicContact CD2-CG2 3.26Å |
| 297 | V | 51.6 | Low | 60.4 | Low | 88 Ų | 88 | 76.2 Ų | 76.2 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -17.6 | -174.2 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | R275 I276 I295 | R275-V297 HydrophobicContact CB-CG2 3.43Å; R275-V297 VanDerWaalsContact CB-CG2 3.43Å; R275-V297 HydrophobicContact CG-CG2 3.42Å; R275-V297 VanDerWaalsContact CG-CG2 3.42Å; I276-V297 PolarHBondContact O-N 3.35Å; I295-V297 PolarHBondContact O-N 3.38Å |
| 298 | G | 54.4 | Low | 58.4 | Low | 20 Ų | 20 | 79.7 Ų | 79.7 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 143.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D278 | D278-G298 PolarHBondContact N-O 3.42Å; D278-G298 VanDerWaalsContact N-O 3.13Å |
| 299 | V | 55.9 | Low | 56.4 | Low | 57 Ų | 57 | 80.3 Ų | 80.3 | 35% | 0.345 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 111.8 | 160.8 | 174.1 | 0 | 0 | 0 | 0 | 106.1 | D278 A281 T287 L296 M301 | D278-V299 WeakPolarHBondContact O-CA 3.42Å; A281-V299 HydrophobicContact CB-CB 4.46Å; A281-V299 HydrophobicContact CB-CG1 3.41Å; A281-V299 VanDerWaalsContact CB-CG1 3.41Å; A281-V299 HydrophobicContact CB-CG2 4.32Å; T287-V299 HydrophobicContact CG2-CG2 4.34Å; L296-V299 HydrophobicContact CD2-CG2 3.26Å; V299-M301 HydrophobicContact CG1-CE 4.42Å; V299-M301 HydrophobicContact CG1-CG 3.87Å; V299-M301 PolarHBondContact O-N 3.24Å |
| 300 | L | 50.6 | Low | 54.3 | Low | 103 Ų | 103 | 81.9 Ų | 81.9 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | trans | -80.3 | 109.3 | 163.3 | -85.6 | 160.3 | 0 | 0 | 0 | 107.2 | D278 L279 N302 | D278-L300 PolarHBondContact O-N 2.91Å; D278-L300 VanDerWaalsContact O-N 3.15Å; L279-L300 HydrophobicContact CD2-CD1 3.73Å; L279-L300 WeakPolarHBondContact O-CB 3.39Å; L300-N302 PolarHBondContact O-N 3.21Å | ||
| 301 | M | 52.3 | Low | 52.2 | Low | 77 Ų | 77 | 84.4 Ų | 84.4 | 38% | 0.379 | 46% | 0.455 | S | S | . | . | trans | -82.6 | 110.1 | 164.8 | -64.7 | -146.3 | -166.3 | 0 | 0 | 107.2 | V299 Q303 V310 V313 L314 | V299-M301 HydrophobicContact CG1-CE 4.42Å; V299-M301 HydrophobicContact CG1-CG 3.87Å; V299-M301 PolarHBondContact O-N 3.24Å; M301-Q303 PolarHBondContact O-N 3.02Å; M301-Q303 VanDerWaalsContact O-N 3.15Å; M301-V310 HydrophobicContact SD-CG1 4.1Å; M301-V313 HydrophobicContact CE-CB 3.63Å; M301-V313 HydrophobicContact CE-CG1 3.27Å; M301-V313 HydrophobicContact SD-CB 4.21Å; M301-V313 HydrophobicContact SD-CG1 4.19Å; M301-L314 HydrophobicContact CE-CD2 4.4Å; M301-L314 HydrophobicContact CE-CG 4.5Å | ||
| 302 | N | 45.2 | Very low | 50.8 | Low | 99 Ų | 99 | 85.1 Ų | 85.1 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | trans | -59.7 | 119.1 | 173.8 | -145.8 | -9.8 | 0 | 0 | 0 | 108 | L300 N304 V305 | L300-N302 PolarHBondContact O-N 3.21Å; N302-N304 PolarHBondContact O-N 3.17Å; N302-V305 HydrophobicContact CB-CG2 4.23Å; N302-V305 WeakPolarHBondContact O-CG2 3.34Å; N302-V305 PolarHBondContact O-N 3.44Å | ||
| 303 | Q | 42.6 | Very low | 49.6 | Very low | 191 Ų | 191 | 82.1 Ų | 82.1 | 89% | 0.893 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12.6 | -170.5 | -67.4 | -160 | -9.1 | 0 | 0 | 113.9 | M301 | M301-Q303 PolarHBondContact O-N 3.02Å; M301-Q303 VanDerWaalsContact O-N 3.15Å |
| 304 | N | 44 | Very low | 48.6 | Very low | 153 Ų | 153 | 84.6 Ų | 84.6 | 82% | 0.818 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.4 | 177 | -69.4 | -23.9 | 0 | 0 | 0 | 114.4 | N302 R306 | N302-N304 PolarHBondContact O-N 3.17Å; N304-R306 PolarHBondContact O-N 3.36Å |
| 305 | V | 47.1 | Very low | 48.1 | Very low | 54 Ų | 54 | 89.4 Ų | 89.4 | 33% | 0.327 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -76.7 | 114.7 | 170.2 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | A282 N302 I307 | A282-V305 HydrophobicContact CB-CG1 4.11Å; A282-V305 HydrophobicContact CB-CG2 4.43Å; N302-V305 HydrophobicContact CB-CG2 4.23Å; N302-V305 WeakPolarHBondContact O-CG2 3.34Å; N302-V305 PolarHBondContact O-N 3.44Å; V305-I307 PolarHBondContact O-N 3.46Å |
| 306 | R | 35.1 | Very low | 48.1 | Very low | 209 Ų | 209 | 84.5 Ų | 84.5 | 79% | 0.789 | 46% | 0.457 | S | S | * | . | trans | -37.5 | 139.6 | 174.5 | -61.8 | 179.8 | -144.2 | 156.2 | 6.5 | 110.7 | N304 S308 G309 | N304-R306 PolarHBondContact O-N 3.36Å; R306-S308 PolarHBondContact O-N 2.93Å; R306-G309 PolarHBondContact O-N 2.87Å | ||
| 307 | I | 37.7 | Very low | 48.1 | Very low | 153 Ų | 153 | 83.6 Ų | 83.6 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -47.1 | -26.8 | -179.4 | -63.9 | 166.2 | 0 | 0 | 0 | 112.9 | V305 V310 | V305-I307 PolarHBondContact O-N 3.46Å; I307-V310 PolarHBondContact O-N 2.85Å |
| 308 | S | 41 | Very low | 48.5 | Very low | 88 Ų | 88 | 85.9 Ų | 85.9 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.7 | -37.8 | 173.3 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | R306 | R306-S308 PolarHBondContact O-N 2.93Å |
| 309 | G | 42 | Very low | 48.6 | Very low | 16 Ų | 16 | 87.6 Ų | 87.6 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -72.2 | -35.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R306 S311 S312 V313 | R306-G309 PolarHBondContact O-N 2.87Å; G309-S311 VanDerWaalsContact C-N 3.32Å; G309-S311 PolarHBondContact O-N 3.43Å; G309-S312 PolarHBondContact O-N 2.87Å; G309-S312 VanDerWaalsContact O-N 3.1Å; G309-S312 PolarHBondContact O-OG 3.44Å; G309-V313 WeakPolarHBondContact O-CG2 3.41Å; G309-V313 PolarHBondContact O-N 3Å |
| 310 | V | 41.7 | Very low | 48.7 | Very low | 53 Ų | 53 | 85 Ų | 85 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | M301 I307 S312 V313 L314 | M301-V310 HydrophobicContact SD-CG1 4.1Å; I307-V310 PolarHBondContact O-N 2.85Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 3.2Å; V310-V313 PolarHBondContact O-N 3.39Å; V310-L314 HydrophobicContact CG1-CD1 4.39Å; V310-L314 PolarHBondContact O-N 2.85Å |
| 311 | S | 40.7 | Very low | 48.9 | Very low | 66 Ų | 66 | 83.4 Ų | 83.4 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.3 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | G309 V313 L314 L315 | G309-S311 VanDerWaalsContact C-N 3.32Å; G309-S311 PolarHBondContact O-N 3.43Å; S311-V313 VanDerWaalsContact C-N 3.34Å; S311-V313 PolarHBondContact O-N 3.48Å; S311-L314 PolarHBondContact O-N 2.79Å; S311-L315 VanDerWaalsContact O-CB 3.32Å; S311-L315 WeakPolarHBondContact O-CB 3.37Å; S311-L315 WeakPolarHBondContact O-CD1 3.26Å; S311-L315 PolarHBondContact O-N 3.02Å |
| 312 | S | 49.8 | Very low | 48.7 | Very low | 35 Ų | 35 | 82 Ų | 82 | 25% | 0.245 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | 178.8 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | G309 V310 L316 | G309-S312 PolarHBondContact O-N 2.87Å; G309-S312 VanDerWaalsContact O-N 3.1Å; G309-S312 PolarHBondContact O-OG 3.44Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 3.2Å; S312-L316 VanDerWaalsContact O-CB 3.31Å; S312-L316 WeakPolarHBondContact O-CB 3.28Å; S312-L316 WeakPolarHBondContact O-CD1 3.36Å; S312-L316 WeakPolarHBondContact O-CG 3.34Å; S312-L316 PolarHBondContact O-N 3.14Å; S312-L316 VanDerWaalsContact O-N 3.08Å |
| 313 | V | 50.6 | Low | 48.3 | Very low | 8 Ų | 8 | 89.9 Ų | 89.9 | 5% | 0.048 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -73.5 | -29.5 | -178.9 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | A281 A282 M301 G309 V310 S311 P317 | A281-V313 HydrophobicContact CB-CG1 4.34Å; A282-V313 VanDerWaalsContact CA-CG2 3.46Å; A282-V313 HydrophobicContact CB-CG2 3.57Å; M301-V313 HydrophobicContact CE-CB 3.63Å; M301-V313 HydrophobicContact CE-CG1 3.27Å; M301-V313 HydrophobicContact SD-CB 4.21Å; M301-V313 HydrophobicContact SD-CG1 4.19Å; G309-V313 WeakPolarHBondContact O-CG2 3.41Å; G309-V313 PolarHBondContact O-N 3Å; V310-V313 PolarHBondContact O-N 3.39Å; S311-V313 VanDerWaalsContact C-N 3.34Å; S311-V313 PolarHBondContact O-N 3.48Å; V313-P317 WeakPolarHBondContact O-CD 3.43Å; V313-P317 WeakPolarHBondContact O-CG 3.48Å |
| 314 | L | 52.4 | Low | 48.6 | Very low | 114 Ų | 114 | 84.8 Ų | 84.8 | 60% | 0.597 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -82.5 | -38.9 | 174.8 | -68.6 | 170.3 | 0 | 0 | 0 | 112.2 | M301 V310 S311 | M301-L314 HydrophobicContact CE-CD2 4.4Å; M301-L314 HydrophobicContact CE-CG 4.5Å; V310-L314 HydrophobicContact CG1-CD1 4.39Å; V310-L314 PolarHBondContact O-N 2.85Å; S311-L314 PolarHBondContact O-N 2.79Å |
| 315 | L | 56.4 | Low | 48.8 | Very low | 115 Ų | 115 | 81.2 Ų | 81.2 | 60% | 0.602 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -71.2 | -38.9 | -177.7 | -88.7 | 151.8 | 0 | 0 | 0 | 112.9 | S311 H318 L319 | S311-L315 VanDerWaalsContact O-CB 3.32Å; S311-L315 WeakPolarHBondContact O-CB 3.37Å; S311-L315 WeakPolarHBondContact O-CD1 3.26Å; S311-L315 PolarHBondContact O-N 3.02Å; L315-H318 PolarHBondContact O-N 3.3Å; L315-L319 VanDerWaalsContact O-CB 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.46Å; L315-L319 PolarHBondContact O-N 3.23Å |
| 316 | L | 59.9 | Low | 48.9 | Very low | 23 Ų | 23 | 82.7 Ų | 82.7 | 12% | 0.12 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.5 | -45.5 | -172.6 | -74.9 | 168.3 | 0 | 0 | 0 | 114.2 | I255 P283 T288 S312 H318 L319 L320 | I255-L316 HydrophobicContact CD1-CD1 4.13Å; I255-L316 HydrophobicContact CD1-CD2 3.68Å; I255-L316 HydrophobicContact CD1-CG 4.45Å; I255-L316 HydrophobicContact CG1-CD2 4.29Å; P283-L316 WeakPolarHBondContact O-CD1 3.43Å; T288-L316 HydrophobicContact CG2-CB 4.42Å; S312-L316 VanDerWaalsContact O-CB 3.31Å; S312-L316 WeakPolarHBondContact O-CB 3.28Å; S312-L316 WeakPolarHBondContact O-CD1 3.36Å; S312-L316 WeakPolarHBondContact O-CG 3.34Å; S312-L316 PolarHBondContact O-N 3.14Å; S312-L316 VanDerWaalsContact O-N 3.08Å; L316-H318 VanDerWaalsContact C-N 3.25Å; L316-H318 PolarHBondContact O-N 3.11Å; L316-L319 PolarHBondContact O-N 3.33Å; L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.05Å; L316-L320 WeakPolarHBondContact O-CD1 3.25Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.19Å |
| 317 | P | 59.6 | Low | 49.7 | Very low | 34 Ų | 34 | 75.3 Ų | 75.3 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.4 | -37.5 | 172.5 | -23.2 | 34.5 | 0 | 0 | 0 | 112.1 | T288 V313 L320 S321 F322 | T288-P317 HydrophobicContact CG2-CG 4.42Å; V313-P317 WeakPolarHBondContact O-CD 3.43Å; V313-P317 WeakPolarHBondContact O-CG 3.48Å; P317-L320 PolarHBondContact O-N 3.24Å; P317-S321 PolarHBondContact O-N 2.99Å; P317-F322 HydrophobicContact CB-CB 4.3Å; P317-F322 PolarHBondContact O-N 3.37Å |
| 318 | H | 59.7 | Low | 50.5 | Low | 136 Ų | 136 | 70.4 Ų | 70.4 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.6 | -43.4 | 179.4 | -135.6 | -27.8 | 0 | 0 | 0 | 112.1 | L315 L316 L320 S321 | L315-H318 PolarHBondContact O-N 3.3Å; L316-H318 VanDerWaalsContact C-N 3.25Å; L316-H318 PolarHBondContact O-N 3.11Å; H318-L320 VanDerWaalsContact C-N 3.31Å; H318-L320 PolarHBondContact O-N 2.99Å; H318-S321 PolarHBondContact O-N 3.24Å |
| 319 | L | 56.5 | Low | 51.1 | Low | 56 Ų | 56 | 69.3 Ų | 69.3 | 29% | 0.293 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 176.2 | -164.2 | 79.9 | 0 | 0 | 0 | 111.7 | K206 L250 L315 L316 S321 | K206-L319 PolarHBondContact NZ-O 2.83Å; L250-L319 WeakPolarHBondContact O-CD1 3.49Å; L315-L319 VanDerWaalsContact O-CB 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.46Å; L315-L319 PolarHBondContact O-N 3.23Å; L316-L319 PolarHBondContact O-N 3.33Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.39Å |
| 320 | L | 58.7 | Low | 51.8 | Low | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2.3 | -177.2 | -67.1 | 166 | 0 | 0 | 0 | 113.8 | N203 G252 I255 T288 L316 P317 H318 F322 | N203-L320 HydrophobicContact CB-CD2 3.92Å; N203-L320 WeakPolarHBondContact ND2-CD2 3.35Å; N203-L320 PolarHBondContact ND2-O 2.98Å; N203-L320 VanDerWaalsContact ND2-O 3.15Å; G252-L320 VanDerWaalsContact O-CD2 3.25Å; G252-L320 WeakPolarHBondContact O-CD2 3.24Å; I255-L320 HydrophobicContact CD1-CD1 4.32Å; T288-L320 HydrophobicContact CG2-CD1 3.55Å; L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.05Å; L316-L320 WeakPolarHBondContact O-CD1 3.25Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.19Å; P317-L320 PolarHBondContact O-N 3.24Å; H318-L320 VanDerWaalsContact C-N 3.31Å; H318-L320 PolarHBondContact O-N 2.99Å; L320-F322 HydrophobicContact CB-CD2 3.98Å; L320-F322 HydrophobicContact CB-CE2 3.88Å |
| 321 | S | 54.6 | Low | 52.6 | Low | 70 Ų | 70 | 74.6 Ų | 74.6 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 55 | -178.3 | -68.5 | 0 | 0 | 0 | 0 | 113.8 | K206 P317 H318 L319 Y323 | K206-S321 VanDerWaalsContact CE-CB 3.49Å; K206-S321 VanDerWaalsContact CE-OG 3.24Å; K206-S321 WeakPolarHBondContact CE-OG 2.89Å; K206-S321 PolarHBondContact NZ-OG 3.14Å; P317-S321 PolarHBondContact O-N 2.99Å; H318-S321 PolarHBondContact O-N 3.24Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.39Å; S321-Y323 VanDerWaalsContact C-N 3.32Å; S321-Y323 PolarHBondContact O-N 3.45Å |
| 322 | F | 48 | Very low | 53.5 | Low | 47 Ų | 47 | 75.3 Ų | 75.3 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | trans | -89.5 | 70 | 163.9 | -74.3 | -74.4 | 0 | 0 | 0 | 110.6 | L205 T288 G291 P317 L320 | L205-F322 HydrophobicContact CD1-CD1 4.24Å; L205-F322 HydrophobicContact CD1-CE1 3.47Å; L205-F322 VanDerWaalsContact CD1-CE1 3.47Å; L205-F322 HydrophobicContact CD1-CE2 4.48Å; L205-F322 HydrophobicContact CD1-CZ 3.64Å; T288-F322 HydrophobicContact CG2-CD2 4.2Å; T288-F322 HydrophobicContact CG2-CE2 3.96Å; T288-F322 WeakPolarHBondContact O-CE2 3.16Å; T288-F322 WeakPolarHBondContact O-CZ 3.5Å; G291-F322 WeakPolarHBondContact O-CE1 3.27Å; P317-F322 HydrophobicContact CB-CB 4.3Å; P317-F322 PolarHBondContact O-N 3.37Å; L320-F322 HydrophobicContact CB-CD2 3.98Å; L320-F322 HydrophobicContact CB-CE2 3.88Å | ||
| 323 | Y | 36.4 | Very low | 53.9 | Low | 264 Ų | 264 | 79 Ų | 79 | 100% | 1.035 | 39% | 0.387 | S | S | * | . | trans | -151.3 | 0 | 159.8 | -78.1 | -71.2 | 0 | 0 | 0 | 108.9 | S321 | S321-Y323 VanDerWaalsContact C-N 3.32Å; S321-Y323 PolarHBondContact O-N 3.45Å |
Retrieved 323 of 323 residues in 55.8 ms
(Link to these results)