| 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 | 52.5 | Low | 66.2 | Low | 232 Ų | 232 | 129.3 Ų | 129.3 | 100% | 1.143 | 68% | 0.677 | S | S | * | * | 0 | -28.9 | 0 | -89.6 | 164.7 | 148.8 | 0 | 0 | 114.5 | G3 | M1-G3 PolarHBondContact O-N 3.48Š| |||
| 2 | G | 57.5 | Low | 67.3 | Low | 47 Ų | 47 | 129.4 Ų | 129.4 | 49% | 0.485 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -74.5 | -2.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 3 | G | 58.4 | Low | 68.3 | Low | 57 Ų | 57 | 130.8 Ų | 130.8 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.3 | -33.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | M1 L7 | M1-G3 PolarHBondContact O-N 3.48Å; G3-L7 PolarHBondContact O-N 3.12Å |
| 4 | K | 59.8 | Low | 69.2 | Low | 178 Ų | 178 | 125.4 Ų | 125.4 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.9 | -44.3 | 179.2 | -72.5 | -173.8 | 176.8 | -178.2 | 0 | 111.2 | K6 L7 T8 | K4-K6 PolarHBondContact O-N 3.37Å; K4-L7 PolarHBondContact O-N 2.94Å; K4-T8 PolarHBondContact O-N 3.24Å; K4-T8 PolarHBondContact O-OG1 3.09Å |
| 5 | E | 64 | Low | 70.2 | Confident | 146 Ų | 146 | 123.2 Ų | 123.2 | 68% | 0.682 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.1 | -39 | 178 | -72.9 | 175.5 | 145 | 0 | 0 | 113.3 | L7 T8 M9 | E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 3.27Å; E5-T8 PolarHBondContact O-N 2.56Å; E5-M9 WeakPolarHBondContact O-CB 3.48Å; E5-M9 PolarHBondContact O-N 3.18Å |
| 6 | K | 65.5 | Low | 71.2 | Confident | 157 Ų | 157 | 123.4 Ų | 123.4 | 68% | 0.683 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.9 | -41.3 | 174.3 | -88.7 | -174.8 | 175.4 | -177.2 | 0 | 112.5 | K4 M9 Q10 | K4-K6 PolarHBondContact O-N 3.37Å; K6-M9 PolarHBondContact O-N 3.34Å; K6-Q10 PolarHBondContact O-N 3.36Å |
| 7 | L | 69.8 | Low | 72.1 | Confident | 119 Ų | 119 | 120.8 Ų | 120.8 | 62% | 0.623 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.8 | -41.5 | 179.9 | -157.4 | 74.2 | 0 | 0 | 0 | 111.3 | G3 K4 E5 M9 Q10 M11 | G3-L7 PolarHBondContact O-N 3.12Å; K4-L7 PolarHBondContact O-N 2.94Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 3.27Å; L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.83Å; L7-Q10 PolarHBondContact O-N 2.74Å; L7-M11 PolarHBondContact O-N 2.96Å |
| 8 | T | 71.9 | Confident | 73.1 | Confident | 94 Ų | 94 | 119.7 Ų | 119.7 | 58% | 0.577 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.9 | -40.8 | 175.4 | -27.2 | 0 | 0 | 0 | 0 | 111.5 | K4 E5 M11 F12 | K4-T8 PolarHBondContact O-N 3.24Å; K4-T8 PolarHBondContact O-OG1 3.09Å; E5-T8 PolarHBondContact O-N 2.56Å; T8-M11 PolarHBondContact O-N 3.44Å; T8-F12 WeakPolarHBondContact O-CB 3.14Å; T8-F12 PolarHBondContact O-N 3.01Å |
| 9 | M | 73.6 | Confident | 73.9 | Confident | 123 Ų | 123 | 117.3 Ų | 117.3 | 61% | 0.606 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.9 | -39.5 | 179.6 | -153.7 | 170.6 | 85.2 | 0 | 0 | 111.9 | E5 K6 L7 F12 F13 | E5-M9 WeakPolarHBondContact O-CB 3.48Å; E5-M9 PolarHBondContact O-N 3.18Å; K6-M9 PolarHBondContact O-N 3.34Å; L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.83Å; M9-F12 PolarHBondContact O-N 3.47Å; M9-F13 WeakPolarHBondContact O-CD2 3.27Å; M9-F13 PolarHBondContact O-N 3.5Å; M9-F13 VanDerWaalsContact O-N 3.07Å |
| 10 | Q | 75.2 | Confident | 74.7 | Confident | 137 Ų | 137 | 115.3 Ų | 115.3 | 64% | 0.64 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.6 | -44.1 | 172.3 | -96.9 | -179.3 | -36.6 | 0 | 0 | 112.5 | K6 L7 F12 F13 A14 | K6-Q10 PolarHBondContact O-N 3.36Å; L7-Q10 PolarHBondContact O-N 2.74Å; Q10-F12 VanDerWaalsContact C-N 3.29Å; Q10-F12 PolarHBondContact O-N 3.11Å; Q10-F13 PolarHBondContact O-N 3.43Å; Q10-A14 WeakPolarHBondContact O-CB 3.36Å; Q10-A14 PolarHBondContact O-N 3.23Å |
| 11 | M | 80.1 | Confident | 75.5 | Confident | 132 Ų | 132 | 114 Ų | 114 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61 | -40.6 | 176.3 | -119.8 | -173.1 | 72 | 0 | 0 | 111.5 | L7 T8 F13 A14 V15 | L7-M11 PolarHBondContact O-N 2.96Å; T8-M11 PolarHBondContact O-N 3.44Å; M11-F13 PolarHBondContact O-N 3.25Å; M11-A14 PolarHBondContact O-N 2.77Å; M11-V15 VanDerWaalsContact O-CG2 3.31Å; M11-V15 WeakPolarHBondContact O-CG2 3.45Å; M11-V15 PolarHBondContact O-N 3.47Å |
| 12 | F | 79.4 | Confident | 77.3 | Confident | 131 Ų | 131 | 107.1 Ų | 107.1 | 58% | 0.575 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.7 | -40.2 | 178.5 | -150.9 | -99.5 | 0 | 0 | 0 | 112.5 | T8 M9 Q10 K16 | T8-F12 WeakPolarHBondContact O-CB 3.14Å; T8-F12 PolarHBondContact O-N 3.01Å; M9-F12 PolarHBondContact O-N 3.47Å; Q10-F12 VanDerWaalsContact C-N 3.29Å; Q10-F12 PolarHBondContact O-N 3.11Å; F12-K16 HydrophobicContact CD1-CD 4.22Å; F12-K16 HydrophobicContact CE1-CD 4.19Å; F12-K16 VanDerWaalsContact CE1-CE 3.46Å; F12-K16 WeakPolarHBondContact O-CB 3.48Å; F12-K16 PolarHBondContact O-N 2.95Å; F12-K16 VanDerWaalsContact O-N 3.09Å |
| 13 | F | 80.4 | Confident | 78.9 | Confident | 148 Ų | 148 | 110.4 Ų | 110.4 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -41.3 | 173.8 | -96.2 | -87.7 | 0 | 0 | 0 | 112.4 | M9 Q10 M11 K16 C17 | M9-F13 WeakPolarHBondContact O-CD2 3.27Å; M9-F13 PolarHBondContact O-N 3.5Å; M9-F13 VanDerWaalsContact O-N 3.07Å; Q10-F13 PolarHBondContact O-N 3.43Å; M11-F13 PolarHBondContact O-N 3.25Å; F13-K16 PolarHBondContact O-N 3.33Å; F13-C17 VanDerWaalsContact O-CB 3.29Å; F13-C17 WeakPolarHBondContact O-CB 3.29Å; F13-C17 PolarHBondContact O-N 3.22Å |
| 14 | A | 80.3 | Confident | 80.5 | Confident | 55 Ų | 55 | 114.2 Ų | 114.2 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q10 M11 K16 C17 V18 | Q10-A14 WeakPolarHBondContact O-CB 3.36Å; Q10-A14 PolarHBondContact O-N 3.23Å; M11-A14 PolarHBondContact O-N 2.77Å; A14-K16 PolarHBondContact O-N 3.47Å; A14-C17 PolarHBondContact O-N 3.48Å; A14-V18 WeakPolarHBondContact O-CG2 3.46Å; A14-V18 PolarHBondContact O-N 3.37Å |
| 15 | V | 84.9 | Confident | 82 | Confident | 92 Ų | 92 | 108.2 Ų | 108.2 | 56% | 0.558 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.8 | -42.6 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | M11 V18 S19 | M11-V15 VanDerWaalsContact O-CG2 3.31Å; M11-V15 WeakPolarHBondContact O-CG2 3.45Å; M11-V15 PolarHBondContact O-N 3.47Å; V15-V18 PolarHBondContact O-N 2.94Å; V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.11Å |
| 16 | K | 86.6 | Confident | 83.3 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.548 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.8 | -41.8 | 174.7 | -81.4 | -174.1 | 170.7 | -178.3 | 0 | 112.5 | F12 F13 A14 S19 V20 | F12-K16 HydrophobicContact CD1-CD 4.22Å; F12-K16 HydrophobicContact CE1-CD 4.19Å; F12-K16 VanDerWaalsContact CE1-CE 3.46Å; F12-K16 WeakPolarHBondContact O-CB 3.48Å; F12-K16 PolarHBondContact O-N 2.95Å; F12-K16 VanDerWaalsContact O-N 3.09Å; F13-K16 PolarHBondContact O-N 3.33Å; A14-K16 PolarHBondContact O-N 3.47Å; K16-S19 PolarHBondContact O-N 2.87Å; K16-V20 VanDerWaalsContact O-CG2 3.31Å; K16-V20 WeakPolarHBondContact O-CG2 3.44Å; K16-V20 PolarHBondContact O-N 3.48Å |
| 17 | C | 85.6 | Confident | 84.6 | Confident | 79 Ų | 79 | 102.1 Ų | 102.1 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -48.6 | 177.3 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | F13 A14 S19 V20 V21 | F13-C17 VanDerWaalsContact O-CB 3.29Å; F13-C17 WeakPolarHBondContact O-CB 3.29Å; F13-C17 PolarHBondContact O-N 3.22Å; A14-C17 PolarHBondContact O-N 3.48Å; C17-S19 VanDerWaalsContact C-N 3.31Å; C17-S19 PolarHBondContact O-N 2.8Å; C17-V20 PolarHBondContact O-N 3.03Å; C17-V21 WeakPolarHBondContact O-CG2 3.36Å; C17-V21 PolarHBondContact O-N 3.03Å |
| 18 | V | 90 | Very high | 85.6 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -42.2 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A14 V15 V20 V21 C22 | A14-V18 WeakPolarHBondContact O-CG2 3.46Å; A14-V18 PolarHBondContact O-N 3.37Å; V15-V18 PolarHBondContact O-N 2.94Å; V18-V20 PolarHBondContact O-N 3.46Å; V18-V21 PolarHBondContact O-N 3.47Å; V18-C22 VanDerWaalsContact O-CB 3.28Å; V18-C22 WeakPolarHBondContact O-CB 3.12Å; V18-C22 PolarHBondContact O-N 3.05Å |
| 19 | S | 88.6 | Confident | 86.6 | Confident | 75 Ų | 75 | 102.9 Ų | 102.9 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.4 | -41.5 | 179 | -162.9 | 0 | 0 | 0 | 0 | 112.2 | V15 K16 C17 L23 | V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.11Å; K16-S19 PolarHBondContact O-N 2.87Å; C17-S19 VanDerWaalsContact C-N 3.31Å; C17-S19 PolarHBondContact O-N 2.8Å; S19-L23 WeakPolarHBondContact O-CB 3.42Å; S19-L23 PolarHBondContact O-N 3.48Å; S19-L23 VanDerWaalsContact O-N 3.12Å |
| 20 | V | 89.8 | Confident | 87.7 | Confident | 76 Ų | 76 | 103.1 Ų | 103.1 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -45.6 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | K16 C17 V18 C22 L23 F24 | K16-V20 VanDerWaalsContact O-CG2 3.31Å; K16-V20 WeakPolarHBondContact O-CG2 3.44Å; K16-V20 PolarHBondContact O-N 3.48Å; C17-V20 PolarHBondContact O-N 3.03Å; V18-V20 PolarHBondContact O-N 3.46Å; V20-C22 VanDerWaalsContact C-N 3.32Å; V20-C22 PolarHBondContact O-N 3.27Å; V20-L23 WeakPolarHBondContact O-CB 3.42Å; V20-L23 PolarHBondContact O-N 2.6Å; V20-F24 HydrophobicContact CG1-CD2 3.76Å; V20-F24 HydrophobicContact CG1-CE2 3.53Å; V20-F24 VanDerWaalsContact O-CD2 3.25Å; V20-F24 WeakPolarHBondContact O-CD2 3.32Å; V20-F24 PolarHBondContact O-N 2.74Å; V20-F24 VanDerWaalsContact O-N 3.08Å |
| 21 | V | 91.6 | Very high | 88.5 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61 | -42.4 | 177.7 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | C17 V18 L23 F24 A25 | C17-V21 WeakPolarHBondContact O-CG2 3.36Å; C17-V21 PolarHBondContact O-N 3.03Å; V18-V21 PolarHBondContact O-N 3.47Å; V21-L23 VanDerWaalsContact C-N 3.28Å; V21-L23 PolarHBondContact O-N 2.83Å; V21-F24 PolarHBondContact O-N 3.02Å; V21-A25 WeakPolarHBondContact O-CB 3.28Å; V21-A25 PolarHBondContact O-N 2.73Å |
| 22 | C | 90.1 | Very high | 89.2 | Confident | 86 Ų | 86 | 102 Ų | 102 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -34.2 | 178.2 | -156 | 0 | 0 | 0 | 0 | 112 | V18 V20 S26 | V18-C22 VanDerWaalsContact O-CB 3.28Å; V18-C22 WeakPolarHBondContact O-CB 3.12Å; V18-C22 PolarHBondContact O-N 3.05Å; V20-C22 VanDerWaalsContact C-N 3.32Å; V20-C22 PolarHBondContact O-N 3.27Å; C22-S26 WeakPolarHBondContact O-CB 3.5Å; C22-S26 PolarHBondContact O-N 3.39Å |
| 23 | L | 91.8 | Very high | 90 | Very high | 117 Ų | 117 | 99.9 Ų | 99.9 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.9 | -43.5 | 178.1 | -143.2 | 149.9 | 0 | 0 | 0 | 111.7 | S19 V20 V21 S26 Q27 | S19-L23 WeakPolarHBondContact O-CB 3.42Å; S19-L23 PolarHBondContact O-N 3.48Å; S19-L23 VanDerWaalsContact O-N 3.12Å; V20-L23 WeakPolarHBondContact O-CB 3.42Å; V20-L23 PolarHBondContact O-N 2.6Å; V21-L23 VanDerWaalsContact C-N 3.28Å; V21-L23 PolarHBondContact O-N 2.83Å; L23-S26 PolarHBondContact O-N 3.44Å; L23-Q27 PolarHBondContact O-N 3.3Å |
| 24 | F | 91.3 | Very high | 90.7 | Very high | 137 Ų | 137 | 99.7 Ų | 99.7 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -46.7 | 172.9 | -80.2 | -69.1 | 0 | 0 | 0 | 112 | V20 V21 S26 Q27 E28 | V20-F24 HydrophobicContact CG1-CD2 3.76Å; V20-F24 HydrophobicContact CG1-CE2 3.53Å; V20-F24 VanDerWaalsContact O-CD2 3.25Å; V20-F24 WeakPolarHBondContact O-CD2 3.32Å; V20-F24 PolarHBondContact O-N 2.74Å; V20-F24 VanDerWaalsContact O-N 3.08Å; V21-F24 PolarHBondContact O-N 3.02Å; F24-S26 VanDerWaalsContact C-N 3.31Å; F24-S26 PolarHBondContact O-N 2.97Å; F24-Q27 PolarHBondContact O-N 3.46Å; F24-Q27 VanDerWaalsContact O-N 3.16Å; F24-E28 PolarHBondContact O-N 3.31Å |
| 25 | A | 91.6 | Very high | 91.3 | Very high | 52 Ų | 52 | 101 Ų | 101 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V21 Q27 E28 L29 | V21-A25 WeakPolarHBondContact O-CB 3.28Å; V21-A25 PolarHBondContact O-N 2.73Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 2.86Å; A25-E28 PolarHBondContact O-N 3.32Å; A25-L29 VanDerWaalsContact O-CB 3.27Å; A25-L29 WeakPolarHBondContact O-CB 3.38Å; A25-L29 PolarHBondContact O-N 3.24Å |
| 26 | S | 91.1 | Very high | 91.8 | Very high | 60 Ų | 60 | 100.4 Ų | 100.4 | 42% | 0.42 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | C22 L23 F24 K30 | C22-S26 WeakPolarHBondContact O-CB 3.5Å; C22-S26 PolarHBondContact O-N 3.39Å; L23-S26 PolarHBondContact O-N 3.44Å; F24-S26 VanDerWaalsContact C-N 3.31Å; F24-S26 PolarHBondContact O-N 2.97Å; S26-K30 WeakPolarHBondContact O-CG 3.43Å; S26-K30 PolarHBondContact O-N 3.23Å; S26-K30 VanDerWaalsContact O-N 3.12Å |
| 27 | Q | 92.6 | Very high | 92.2 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.7 | -40.4 | 178.6 | -165.9 | 167.6 | 18.9 | 0 | 0 | 112.2 | L23 F24 A25 K30 L31 | L23-Q27 PolarHBondContact O-N 3.3Å; F24-Q27 PolarHBondContact O-N 3.46Å; F24-Q27 VanDerWaalsContact O-N 3.16Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 2.86Å; Q27-K30 PolarHBondContact O-N 3.35Å; Q27-L31 WeakPolarHBondContact O-CG 3.16Å; Q27-L31 PolarHBondContact O-N 3.42Å |
| 28 | E | 92.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 174 | -172.6 | 175.4 | 179.6 | 0 | 0 | 111.5 | F24 A25 K30 L31 K32 | F24-E28 PolarHBondContact O-N 3.31Å; A25-E28 PolarHBondContact O-N 3.32Å; E28-K30 PolarHBondContact O-N 2.8Å; E28-L31 PolarHBondContact O-N 3.37Å; E28-L31 VanDerWaalsContact O-N 3.13Å; E28-K32 WeakPolarHBondContact O-CG 3.21Å; E28-K32 PolarHBondContact O-N 2.69Å |
| 29 | L | 93.1 | Very high | 93.1 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 178 | -155.2 | 148.8 | 0 | 0 | 0 | 111.2 | A25 L31 K32 D33 | A25-L29 VanDerWaalsContact O-CB 3.27Å; A25-L29 WeakPolarHBondContact O-CB 3.38Å; A25-L29 PolarHBondContact O-N 3.24Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 3.22Å; L29-K32 WeakPolarHBondContact O-CB 3.47Å; L29-K32 PolarHBondContact O-N 3.33Å; L29-D33 WeakPolarHBondContact CD2-OD2 3.44Å; L29-D33 VanDerWaalsContact O-CG 3.26Å; L29-D33 PolarHBondContact O-N 3.46Å |
| 30 | K | 94.8 | Very high | 93.5 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -34.9 | 173.2 | -76.2 | 175.1 | -177.6 | 177 | 0 | 113.7 | S26 Q27 E28 K34 | S26-K30 WeakPolarHBondContact O-CG 3.43Å; S26-K30 PolarHBondContact O-N 3.23Å; S26-K30 VanDerWaalsContact O-N 3.12Å; Q27-K30 PolarHBondContact O-N 3.35Å; E28-K30 PolarHBondContact O-N 2.8Å; K30-K34 WeakPolarHBondContact O-CG 3.48Å; K30-K34 PolarHBondContact O-N 2.82Å |
| 31 | L | 93.9 | Very high | 93.9 | Very high | 115 Ų | 115 | 102.3 Ų | 102.3 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71 | -40 | 175.9 | -70.3 | 173.6 | 0 | 0 | 0 | 110.9 | Q27 E28 L29 K34 E35 | Q27-L31 WeakPolarHBondContact O-CG 3.16Å; Q27-L31 PolarHBondContact O-N 3.42Å; E28-L31 PolarHBondContact O-N 3.37Å; E28-L31 VanDerWaalsContact O-N 3.13Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 3.22Å; L31-K34 PolarHBondContact O-N 3.25Å; L31-E35 PolarHBondContact O-N 3.04Å; L31-E35 VanDerWaalsContact O-N 3.15Å |
| 32 | K | 94.3 | Very high | 94.1 | Very high | 131 Ų | 131 | 100.8 Ų | 100.8 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 174 | -68.8 | -83.2 | -177.9 | 168.7 | 0 | 111.7 | E28 L29 K34 E35 C36 | E28-K32 WeakPolarHBondContact O-CG 3.21Å; E28-K32 PolarHBondContact O-N 2.69Å; L29-K32 WeakPolarHBondContact O-CB 3.47Å; L29-K32 PolarHBondContact O-N 3.33Å; K32-K34 PolarHBondContact O-N 3.28Å; K32-E35 PolarHBondContact O-N 3.44Å; K32-C36 PolarHBondContact O-N 3.19Å; K32-C36 PolarHBondContact O-SG 2.86Å; K32-C36 VanDerWaalsContact O-SG 3.35Å |
| 33 | D | 94.9 | Very high | 94.5 | Very high | 86 Ų | 86 | 102.7 Ų | 102.7 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.4 | -70.6 | -21.1 | 0 | 0 | 0 | 111.8 | L29 E35 C36 E37 | L29-D33 WeakPolarHBondContact CD2-OD2 3.44Å; L29-D33 VanDerWaalsContact O-CG 3.26Å; L29-D33 PolarHBondContact O-N 3.46Å; D33-E35 VanDerWaalsContact C-N 3.32Å; D33-E35 PolarHBondContact O-N 3.26Å; D33-C36 WeakPolarHBondContact O-CB 3.32Å; D33-C36 PolarHBondContact O-N 2.71Å; D33-E37 WeakPolarHBondContact O-CB 3.13Å; D33-E37 PolarHBondContact O-N 3.25Å |
| 34 | K | 95.1 | Very high | 94.7 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 175.9 | -73.4 | 178.8 | 179.3 | -173.7 | 0 | 112.5 | K30 L31 K32 E37 R38 | K30-K34 WeakPolarHBondContact O-CG 3.48Å; K30-K34 PolarHBondContact O-N 2.82Å; L31-K34 PolarHBondContact O-N 3.25Å; K32-K34 PolarHBondContact O-N 3.28Å; K34-E37 PolarHBondContact O-N 2.75Å; K34-R38 WeakPolarHBondContact O-CB 2.96Å; K34-R38 PolarHBondContact O-N 2.93Å |
| 35 | E | 94.3 | Very high | 95 | Very high | 82 Ų | 82 | 99.9 Ų | 99.9 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.9 | -38.8 | 177.1 | -177.2 | 58 | -166 | 0 | 0 | 111.6 | L31 K32 D33 E37 R38 L39 | L31-E35 PolarHBondContact O-N 3.04Å; L31-E35 VanDerWaalsContact O-N 3.15Å; K32-E35 PolarHBondContact O-N 3.44Å; D33-E35 VanDerWaalsContact C-N 3.32Å; D33-E35 PolarHBondContact O-N 3.26Å; E35-E37 VanDerWaalsContact C-N 3.32Å; E35-E37 PolarHBondContact O-N 2.93Å; E35-R38 PolarHBondContact O-N 3.39Å; E35-R38 IonicContact OE1-CZ 2.68Å; E35-R38 IonicContact OE1-NE 3.82Å; E35-R38 PolarHBondContact OE1-NE 3.01Å; E35-R38 IonicContact OE1-NH2 2.84Å; E35-R38 PolarHBondContact OE1-NH2 2.87Å; E35-R38 IonicContact OE2-CZ 3.64Å; E35-R38 IonicContact OE2-NE 3.8Å; E35-R38 PolarHBondContact OE2-NE 3.36Å; E35-R38 IonicContact OE2-NH2 3.73Å; E35-L39 HydrophobicContact CG-CD1 4.2Å; E35-L39 WeakPolarHBondContact O-CB 3.4Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 3.2Å; E35-L39 PolarHBondContact O-N 2.9Å |
| 36 | C | 93.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 101.9 Ų | 101.9 | 54% | 0.541 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 172.4 | -74.6 | 0 | 0 | 0 | 0 | 111.7 | K32 D33 L39 S40 | K32-C36 PolarHBondContact O-N 3.19Å; K32-C36 PolarHBondContact O-SG 2.86Å; K32-C36 VanDerWaalsContact O-SG 3.35Å; D33-C36 WeakPolarHBondContact O-CB 3.32Å; D33-C36 PolarHBondContact O-N 2.71Å; C36-L39 PolarHBondContact O-N 2.94Å; C36-S40 WeakPolarHBondContact O-CB 3.31Å; C36-S40 PolarHBondContact O-N 3.47Å |
| 37 | E | 96.9 | Very high | 95.6 | Very high | 129 Ų | 129 | 103.3 Ų | 103.3 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 177.6 | -167.2 | 164.4 | -155.4 | 0 | 0 | 111.5 | D33 K34 E35 L39 S40 Q41 | D33-E37 WeakPolarHBondContact O-CB 3.13Å; D33-E37 PolarHBondContact O-N 3.25Å; K34-E37 PolarHBondContact O-N 2.75Å; E35-E37 VanDerWaalsContact C-N 3.32Å; E35-E37 PolarHBondContact O-N 2.93Å; E37-L39 PolarHBondContact O-N 2.9Å; E37-S40 WeakPolarHBondContact O-CB 3.44Å; E37-S40 PolarHBondContact O-N 3.37Å; E37-Q41 WeakPolarHBondContact O-CG 3.45Å; E37-Q41 PolarHBondContact O-N 2.9Å |
| 38 | R | 97.2 | Very high | 95.8 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 173.4 | -167.2 | -162.3 | 68.4 | 70.9 | -0.4 | 112 | K34 E35 S40 Q41 V42 | K34-R38 WeakPolarHBondContact O-CB 2.96Å; K34-R38 PolarHBondContact O-N 2.93Å; E35-R38 PolarHBondContact O-N 3.39Å; E35-R38 IonicContact OE1-CZ 2.68Å; E35-R38 IonicContact OE1-NE 3.82Å; E35-R38 PolarHBondContact OE1-NE 3.01Å; E35-R38 IonicContact OE1-NH2 2.84Å; E35-R38 PolarHBondContact OE1-NH2 2.87Å; E35-R38 IonicContact OE2-CZ 3.64Å; E35-R38 IonicContact OE2-NE 3.8Å; E35-R38 PolarHBondContact OE2-NE 3.36Å; E35-R38 IonicContact OE2-NH2 3.73Å; R38-S40 VanDerWaalsContact C-N 3.34Å; R38-Q41 PolarHBondContact O-N 3.06Å; R38-V42 WeakPolarHBondContact O-CG2 3.2Å; R38-V42 PolarHBondContact O-N 3.11Å; R38-V42 VanDerWaalsContact O-N 3.14Å |
| 39 | L | 96.8 | Very high | 96.1 | Very high | 90 Ų | 90 | 102.1 Ų | 102.1 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 177.5 | -73.1 | 171.7 | 0 | 0 | 0 | 112 | E35 C36 E37 Q41 V42 R43 | E35-L39 HydrophobicContact CG-CD1 4.2Å; E35-L39 WeakPolarHBondContact O-CB 3.4Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 3.2Å; E35-L39 PolarHBondContact O-N 2.9Å; C36-L39 PolarHBondContact O-N 2.94Å; E37-L39 PolarHBondContact O-N 2.9Å; L39-Q41 VanDerWaalsContact C-N 3.35Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-R43 PolarHBondContact O-N 3.16Å |
| 40 | S | 96.6 | Very high | 96.3 | Very high | 44 Ų | 44 | 102.3 Ų | 102.3 | 31% | 0.308 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.9 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | C36 E37 R38 R43 N44 | C36-S40 WeakPolarHBondContact O-CB 3.31Å; C36-S40 PolarHBondContact O-N 3.47Å; E37-S40 WeakPolarHBondContact O-CB 3.44Å; E37-S40 PolarHBondContact O-N 3.37Å; R38-S40 VanDerWaalsContact C-N 3.34Å; S40-R43 PolarHBondContact O-N 2.84Å; S40-R43 PolarHBondContact OG-NH2 3.1Å; S40-N44 PolarHBondContact O-N 2.98Å; S40-N44 PolarHBondContact O-OD1 2.96Å |
| 41 | Q | 97.1 | Very high | 96.3 | Very high | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 175.3 | -70.8 | 171.4 | 1 | 0 | 0 | 112.1 | E37 R38 L39 R43 N44 Q45 | E37-Q41 WeakPolarHBondContact O-CG 3.45Å; E37-Q41 PolarHBondContact O-N 2.9Å; R38-Q41 PolarHBondContact O-N 3.06Å; L39-Q41 VanDerWaalsContact C-N 3.35Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.12Å; Q41-N44 PolarHBondContact O-N 3.28Å; Q41-Q45 PolarHBondContact O-N 2.8Å |
| 42 | V | 97.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 102.9 Ų | 102.9 | 36% | 0.358 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | R38 L39 Q45 L46 | R38-V42 WeakPolarHBondContact O-CG2 3.2Å; R38-V42 PolarHBondContact O-N 3.11Å; R38-V42 VanDerWaalsContact O-N 3.14Å; L39-V42 PolarHBondContact O-N 3.21Å; V42-Q45 PolarHBondContact O-N 2.81Å; V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 HydrophobicContact CG1-CG 4.46Å; V42-L46 WeakPolarHBondContact O-CG 3.25Å; V42-L46 PolarHBondContact O-N 3.27Å |
| 43 | R | 97 | Very high | 96.6 | Very high | 125 Ų | 125 | 101.5 Ų | 101.5 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 175.8 | -175 | -159.9 | 64.9 | -138 | -13.2 | 110.9 | L39 S40 Q41 Q45 L46 E47 | L39-R43 PolarHBondContact O-N 3.16Å; S40-R43 PolarHBondContact O-N 2.84Å; S40-R43 PolarHBondContact OG-NH2 3.1Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.12Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 3.48Å; R43-L46 PolarHBondContact O-N 3.42Å; R43-E47 VanDerWaalsContact CD-OE1 3.29Å; R43-E47 WeakPolarHBondContact CD-OE1 3.43Å; R43-E47 HydrophobicContact CG-CG 4.37Å; R43-E47 WeakPolarHBondContact CG-OE1 3.25Å; R43-E47 IonicContact NE-OE1 2.79Å; R43-E47 PolarHBondContact NE-OE1 3.34Å; R43-E47 IonicContact NE-OE2 3.16Å; R43-E47 WeakPolarHBondContact O-CG 3.46Å; R43-E47 PolarHBondContact O-N 3.1Å |
| 44 | N | 97.2 | Very high | 96.6 | Very high | 76 Ų | 76 | 100.4 Ų | 100.4 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | -178.4 | -66.3 | -6.8 | 0 | 0 | 0 | 111.9 | S40 Q41 E47 Q48 | S40-N44 PolarHBondContact O-N 2.98Å; S40-N44 PolarHBondContact O-OD1 2.96Å; Q41-N44 PolarHBondContact O-N 3.28Å; N44-E47 PolarHBondContact O-N 3.4Å; N44-Q48 PolarHBondContact O-N 3.41Å |
| 45 | Q | 97.3 | Very high | 96.7 | Very high | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 176.4 | -173.2 | 172.5 | 9.9 | 0 | 0 | 111.7 | Q41 V42 R43 E47 Q48 E49 | Q41-Q45 PolarHBondContact O-N 2.8Å; V42-Q45 PolarHBondContact O-N 2.81Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 3.48Å; Q45-E47 VanDerWaalsContact C-N 3.34Å; Q45-Q48 PolarHBondContact O-N 3.06Å; Q45-E49 WeakPolarHBondContact O-CG 3.44Å; Q45-E49 PolarHBondContact O-N 3.41Å |
| 46 | L | 97.6 | Very high | 96.8 | Very high | 94 Ų | 94 | 95.3 Ų | 95.3 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 176 | -69.8 | 174.5 | 0 | 0 | 0 | 112.2 | V42 R43 Q48 E49 L50 | V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 HydrophobicContact CG1-CG 4.46Å; V42-L46 WeakPolarHBondContact O-CG 3.25Å; V42-L46 PolarHBondContact O-N 3.27Å; R43-L46 PolarHBondContact O-N 3.42Å; L46-Q48 VanDerWaalsContact C-N 3.35Å; L46-E49 PolarHBondContact O-N 3Å; L46-L50 WeakPolarHBondContact O-CB 3.48Å; L46-L50 PolarHBondContact O-N 3.44Å |
| 47 | E | 96.6 | Very high | 97 | Very high | 91 Ų | 91 | 96.7 Ų | 96.7 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 174 | -77.5 | 169.5 | 175.2 | 0 | 0 | 110.8 | R43 N44 Q45 L50 E51 | R43-E47 VanDerWaalsContact CD-OE1 3.29Å; R43-E47 WeakPolarHBondContact CD-OE1 3.43Å; R43-E47 HydrophobicContact CG-CG 4.37Å; R43-E47 WeakPolarHBondContact CG-OE1 3.25Å; R43-E47 IonicContact NE-OE1 2.79Å; R43-E47 PolarHBondContact NE-OE1 3.34Å; R43-E47 IonicContact NE-OE2 3.16Å; R43-E47 WeakPolarHBondContact O-CG 3.46Å; R43-E47 PolarHBondContact O-N 3.1Å; N44-E47 PolarHBondContact O-N 3.4Å; Q45-E47 VanDerWaalsContact C-N 3.34Å; E47-L50 WeakPolarHBondContact O-CB 3.33Å; E47-L50 PolarHBondContact O-N 2.99Å; E47-E51 WeakPolarHBondContact O-CG 3.49Å; E47-E51 PolarHBondContact O-N 3.01Å |
| 48 | Q | 97.9 | Very high | 97 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.6 | -173.8 | 178.8 | -7.5 | 0 | 0 | 112.4 | N44 Q45 L46 L50 E51 E52 | N44-Q48 PolarHBondContact O-N 3.41Å; Q45-Q48 PolarHBondContact O-N 3.06Å; L46-Q48 VanDerWaalsContact C-N 3.35Å; Q48-L50 VanDerWaalsContact C-N 3.25Å; Q48-L50 PolarHBondContact O-N 2.99Å; Q48-E51 PolarHBondContact O-N 3.42Å; Q48-E52 PolarHBondContact NE2-OE1 3.48Å; Q48-E52 WeakPolarHBondContact O-CG 3.33Å; Q48-E52 PolarHBondContact O-N 2.94Å |
| 49 | E | 97.4 | Very high | 97 | Very high | 102 Ų | 102 | 98.2 Ų | 98.2 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 176.9 | -72.7 | 177.2 | -169.1 | 0 | 0 | 111.7 | Q45 L46 L53 | Q45-E49 WeakPolarHBondContact O-CG 3.44Å; Q45-E49 PolarHBondContact O-N 3.41Å; L46-E49 PolarHBondContact O-N 3Å; E49-L53 WeakPolarHBondContact O-CB 3.44Å; E49-L53 PolarHBondContact O-N 3.35Å |
| 50 | L | 97.3 | Very high | 97 | Very high | 109 Ų | 109 | 98.1 Ų | 98.1 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 174.1 | -100.4 | 163.1 | 0 | 0 | 0 | 112.2 | L46 E47 Q48 T54 | L46-L50 WeakPolarHBondContact O-CB 3.48Å; L46-L50 PolarHBondContact O-N 3.44Å; E47-L50 WeakPolarHBondContact O-CB 3.33Å; E47-L50 PolarHBondContact O-N 2.99Å; Q48-L50 VanDerWaalsContact C-N 3.25Å; Q48-L50 PolarHBondContact O-N 2.99Å; L50-T54 VanDerWaalsContact O-CB 3.23Å; L50-T54 WeakPolarHBondContact O-CB 3.34Å; L50-T54 PolarHBondContact O-N 3.47Å; L50-T54 PolarHBondContact O-OG1 3.48Å |
| 51 | E | 95.8 | Very high | 97 | Very high | 140 Ų | 140 | 98.3 Ų | 98.3 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 177.3 | -75.1 | 179.2 | -175.3 | 0 | 0 | 111.4 | E47 Q48 T54 A55 | E47-E51 WeakPolarHBondContact O-CG 3.49Å; E47-E51 PolarHBondContact O-N 3.01Å; Q48-E51 PolarHBondContact O-N 3.42Å; E51-T54 PolarHBondContact O-N 3.26Å; E51-A55 WeakPolarHBondContact O-CB 3.23Å; E51-A55 PolarHBondContact O-N 3.48Å |
| 52 | E | 96 | Very high | 97 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 177.6 | -72.3 | 177.5 | -164.9 | 0 | 0 | 111.9 | Q48 T54 A55 S56 | Q48-E52 PolarHBondContact NE2-OE1 3.48Å; Q48-E52 WeakPolarHBondContact O-CG 3.33Å; Q48-E52 PolarHBondContact O-N 2.94Å; E52-T54 VanDerWaalsContact C-N 3.33Å; E52-T54 PolarHBondContact O-N 3.46Å; E52-A55 PolarHBondContact O-N 3.44Å; E52-S56 PolarHBondContact O-N 3.03Å |
| 53 | L | 97.5 | Very high | 97 | Very high | 102 Ų | 102 | 100 Ų | 100 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.3 | -178.1 | 64 | 0 | 0 | 0 | 111.4 | E49 A55 S56 L57 | E49-L53 WeakPolarHBondContact O-CB 3.44Å; E49-L53 PolarHBondContact O-N 3.35Å; L53-A55 PolarHBondContact O-N 2.78Å; L53-S56 PolarHBondContact O-N 3.1Å; L53-L57 HydrophobicContact CD1-CG 4.5Å; L53-L57 HydrophobicContact CG-CD1 4.23Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.14Å |
| 54 | T | 96.2 | Very high | 96.9 | Very high | 63 Ų | 63 | 99.7 Ų | 99.7 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 178.8 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | L50 E51 E52 L57 F58 | L50-T54 VanDerWaalsContact O-CB 3.23Å; L50-T54 WeakPolarHBondContact O-CB 3.34Å; L50-T54 PolarHBondContact O-N 3.47Å; L50-T54 PolarHBondContact O-OG1 3.48Å; E51-T54 PolarHBondContact O-N 3.26Å; E52-T54 VanDerWaalsContact C-N 3.33Å; E52-T54 PolarHBondContact O-N 3.46Å; T54-L57 PolarHBondContact O-N 2.86Å; T54-F58 HydrophobicContact CG2-CD2 3.81Å; T54-F58 HydrophobicContact CG2-CE2 3.56Å; T54-F58 WeakPolarHBondContact O-CD2 3.49Å; T54-F58 PolarHBondContact O-N 3.39Å; T54-F58 VanDerWaalsContact O-N 3.1Å |
| 55 | A | 96 | Very high | 97 | Very high | 50 Ų | 50 | 100 Ų | 100 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E51 E52 L53 L57 F58 E59 | E51-A55 WeakPolarHBondContact O-CB 3.23Å; E51-A55 PolarHBondContact O-N 3.48Å; E52-A55 PolarHBondContact O-N 3.44Å; L53-A55 PolarHBondContact O-N 2.78Å; A55-L57 PolarHBondContact O-N 3.2Å; A55-F58 PolarHBondContact O-N 3.28Å; A55-E59 PolarHBondContact O-N 3.42Å |
| 56 | S | 97.4 | Very high | 97 | Very high | 68 Ų | 68 | 102.6 Ų | 102.6 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | E52 L53 E59 E60 | E52-S56 PolarHBondContact O-N 3.03Å; L53-S56 PolarHBondContact O-N 3.1Å; S56-E59 PolarHBondContact O-N 3.09Å; S56-E60 PolarHBondContact O-N 3.47Å |
| 57 | L | 97.1 | Very high | 96.9 | Very high | 109 Ų | 109 | 102.3 Ų | 102.3 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 176.5 | -73.6 | 173.8 | 0 | 0 | 0 | 112.3 | L53 T54 A55 E60 A61 | L53-L57 HydrophobicContact CD1-CG 4.5Å; L53-L57 HydrophobicContact CG-CD1 4.23Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.14Å; T54-L57 PolarHBondContact O-N 2.86Å; A55-L57 PolarHBondContact O-N 3.2Å; L57-E60 PolarHBondContact O-N 2.92Å; L57-A61 VanDerWaalsContact O-CB 3.3Å; L57-A61 WeakPolarHBondContact O-CB 3.39Å; L57-A61 PolarHBondContact O-N 2.74Å |
| 58 | F | 97.6 | Very high | 96.9 | Very high | 130 Ų | 130 | 100.4 Ų | 100.4 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -40.9 | 175.7 | -82.8 | -65.2 | 0 | 0 | 0 | 112.3 | T54 A55 A61 H62 | T54-F58 HydrophobicContact CG2-CD2 3.81Å; T54-F58 HydrophobicContact CG2-CE2 3.56Å; T54-F58 WeakPolarHBondContact O-CD2 3.49Å; T54-F58 PolarHBondContact O-N 3.39Å; T54-F58 VanDerWaalsContact O-N 3.1Å; A55-F58 PolarHBondContact O-N 3.28Å; F58-A61 PolarHBondContact O-N 3.4Å; F58-H62 WeakPolarHBondContact O-CB 3.5Å; F58-H62 PolarHBondContact O-CD2 3.44Å; F58-H62 PolarHBondContact O-N 3.33Å |
| 59 | E | 96.8 | Very high | 96.8 | Very high | 143 Ų | 143 | 99.5 Ų | 99.5 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | 175.9 | -73.9 | -177.3 | 179.6 | 0 | 0 | 111.9 | A55 S56 H62 K63 | A55-E59 PolarHBondContact O-N 3.42Å; S56-E59 PolarHBondContact O-N 3.09Å; E59-H62 PolarHBondContact O-N 3.19Å; E59-K63 WeakPolarHBondContact O-CB 3.27Å; E59-K63 PolarHBondContact O-N 2.88Å |
| 60 | E | 97 | Very high | 96.9 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 179.7 | -165.7 | 61.1 | -150.6 | 0 | 0 | 111.4 | S56 L57 H62 K63 M64 | S56-E60 PolarHBondContact O-N 3.47Å; L57-E60 PolarHBondContact O-N 2.92Å; E60-H62 PolarHBondContact O-N 2.87Å; E60-K63 WeakPolarHBondContact O-CB 3.45Å; E60-K63 PolarHBondContact O-N 3.09Å; E60-K63 IonicContact OE1-NZ 3.07Å; E60-K63 PolarHBondContact OE1-NZ 3.31Å; E60-K63 IonicContact OE2-NZ 2.83Å; E60-K63 PolarHBondContact OE2-NZ 3.45Å; E60-K63 VanDerWaalsContact OE2-NZ 3.16Å; E60-M64 WeakPolarHBondContact O-CG 3.38Å; E60-M64 PolarHBondContact O-N 3.33Å |
| 61 | A | 96 | Very high | 96.9 | Very high | 48 Ų | 48 | 101.3 Ų | 101.3 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L57 F58 K63 M64 V65 | L57-A61 VanDerWaalsContact O-CB 3.3Å; L57-A61 WeakPolarHBondContact O-CB 3.39Å; L57-A61 PolarHBondContact O-N 2.74Å; F58-A61 PolarHBondContact O-N 3.4Å; A61-K63 VanDerWaalsContact C-N 3.32Å; A61-K63 PolarHBondContact O-N 3.49Å; A61-M64 PolarHBondContact O-N 3.4Å; A61-V65 WeakPolarHBondContact O-CG2 2.96Å; A61-V65 PolarHBondContact O-N 2.84Å |
| 62 | H | 97.1 | Very high | 96.9 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 176.2 | -81.6 | -51.3 | 0 | 0 | 0 | 112.7 | F58 E59 E60 R66 | F58-H62 WeakPolarHBondContact O-CB 3.5Å; F58-H62 PolarHBondContact O-CD2 3.44Å; F58-H62 PolarHBondContact O-N 3.33Å; E59-H62 PolarHBondContact O-N 3.19Å; E60-H62 PolarHBondContact O-N 2.87Å; H62-R66 WeakPolarHBondContact O-CB 3.49Å; H62-R66 PolarHBondContact O-N 2.9Å |
| 63 | K | 97.7 | Very high | 97 | Very high | 92 Ų | 92 | 96.7 Ų | 96.7 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 174.6 | 175.3 | 175.2 | 154.4 | -129.7 | 0 | 111.5 | E59 E60 A61 V65 R66 E67 | E59-K63 WeakPolarHBondContact O-CB 3.27Å; E59-K63 PolarHBondContact O-N 2.88Å; E60-K63 WeakPolarHBondContact O-CB 3.45Å; E60-K63 PolarHBondContact O-N 3.09Å; E60-K63 IonicContact OE1-NZ 3.07Å; E60-K63 PolarHBondContact OE1-NZ 3.31Å; E60-K63 IonicContact OE2-NZ 2.83Å; E60-K63 PolarHBondContact OE2-NZ 3.45Å; E60-K63 VanDerWaalsContact OE2-NZ 3.16Å; A61-K63 VanDerWaalsContact C-N 3.32Å; A61-K63 PolarHBondContact O-N 3.49Å; K63-V65 VanDerWaalsContact C-N 3.33Å; K63-V65 PolarHBondContact O-N 3.25Å; K63-R66 WeakPolarHBondContact O-CB 3.37Å; K63-R66 PolarHBondContact O-N 3.37Å; K63-R66 VanDerWaalsContact O-N 3.14Å; K63-E67 WeakPolarHBondContact CE-OE1 3.26Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 2.76Å |
| 64 | M | 96.1 | Very high | 97 | Very high | 119 Ų | 119 | 93.4 Ų | 93.4 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.6 | -44.7 | 177.2 | -71.9 | 177.1 | 62.9 | 0 | 0 | 112.1 | E60 A61 R66 E67 A68 | E60-M64 WeakPolarHBondContact O-CG 3.38Å; E60-M64 PolarHBondContact O-N 3.33Å; A61-M64 PolarHBondContact O-N 3.4Å; M64-R66 PolarHBondContact O-N 2.93Å; M64-E67 PolarHBondContact O-N 3.17Å; M64-A68 WeakPolarHBondContact O-CB 3.46Å; M64-A68 PolarHBondContact O-N 2.97Å |
| 65 | V | 97.9 | Very high | 97 | Very high | 82 Ų | 82 | 93.1 Ų | 93.1 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | A61 K63 A68 N69 | A61-V65 WeakPolarHBondContact O-CG2 2.96Å; A61-V65 PolarHBondContact O-N 2.84Å; K63-V65 VanDerWaalsContact C-N 3.33Å; K63-V65 PolarHBondContact O-N 3.25Å; V65-A68 PolarHBondContact O-N 2.92Å; V65-N69 VanDerWaalsContact O-CG 3.26Å; V65-N69 PolarHBondContact O-N 3.08Å |
| 66 | R | 97.3 | Very high | 97 | Very high | 174 Ų | 174 | 95.8 Ų | 95.8 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 177.7 | -168.7 | -175.9 | -59.4 | 161.3 | 3.7 | 111.6 | H62 K63 M64 A68 N69 V70 | H62-R66 WeakPolarHBondContact O-CB 3.49Å; H62-R66 PolarHBondContact O-N 2.9Å; K63-R66 WeakPolarHBondContact O-CB 3.37Å; K63-R66 PolarHBondContact O-N 3.37Å; K63-R66 VanDerWaalsContact O-N 3.14Å; M64-R66 PolarHBondContact O-N 2.93Å; R66-A68 VanDerWaalsContact C-N 3.34Å; R66-A68 PolarHBondContact O-N 2.76Å; R66-N69 PolarHBondContact O-N 3Å; R66-V70 WeakPolarHBondContact O-CG2 3.46Å; R66-V70 PolarHBondContact O-N 3.49Å |
| 67 | E | 97.4 | Very high | 97 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.9 | -72.6 | -179.2 | -166.4 | 0 | 0 | 112.1 | K63 M64 V70 K71 | K63-E67 WeakPolarHBondContact CE-OE1 3.26Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 2.76Å; M64-E67 PolarHBondContact O-N 3.17Å; E67-V70 PolarHBondContact O-N 2.87Å; E67-K71 WeakPolarHBondContact O-CG 3.3Å; E67-K71 PolarHBondContact O-N 3.22Å |
| 68 | A | 96.1 | Very high | 97 | Very high | 52 Ų | 52 | 100.4 Ų | 100.4 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M64 V65 R66 V70 K71 Q72 | M64-A68 WeakPolarHBondContact O-CB 3.46Å; M64-A68 PolarHBondContact O-N 2.97Å; V65-A68 PolarHBondContact O-N 2.92Å; R66-A68 VanDerWaalsContact C-N 3.34Å; R66-A68 PolarHBondContact O-N 2.76Å; A68-V70 PolarHBondContact O-N 2.73Å; A68-K71 PolarHBondContact O-N 2.91Å; A68-Q72 WeakPolarHBondContact O-CB 3.44Å; A68-Q72 PolarHBondContact O-N 3.41Å |
| 69 | N | 96.1 | Very high | 97 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 178.4 | -70.5 | -12.2 | 0 | 0 | 0 | 112.3 | V65 R66 Q72 A73 | V65-N69 VanDerWaalsContact O-CG 3.26Å; V65-N69 PolarHBondContact O-N 3.08Å; R66-N69 PolarHBondContact O-N 3Å; N69-Q72 PolarHBondContact O-N 3.35Å; N69-A73 WeakPolarHBondContact O-CB 3.42Å; N69-A73 PolarHBondContact O-N 3.13Å |
| 70 | V | 97.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 101 Ų | 101 | 61% | 0.606 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111 | R66 E67 A68 A73 G74 | R66-V70 WeakPolarHBondContact O-CG2 3.46Å; R66-V70 PolarHBondContact O-N 3.49Å; E67-V70 PolarHBondContact O-N 2.87Å; A68-V70 PolarHBondContact O-N 2.73Å; V70-A73 PolarHBondContact O-N 2.96Å; V70-G74 PolarHBondContact O-N 3.45Å |
| 71 | K | 97.4 | Very high | 97.1 | Very high | 148 Ų | 148 | 101.7 Ų | 101.7 | 64% | 0.643 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 176.6 | -73.5 | 171.1 | -177.2 | 167.6 | 0 | 111.5 | E67 A68 G74 A75 | E67-K71 WeakPolarHBondContact O-CG 3.3Å; E67-K71 PolarHBondContact O-N 3.22Å; A68-K71 PolarHBondContact O-N 2.91Å; K71-G74 PolarHBondContact O-N 3.5Å; K71-A75 PolarHBondContact O-N 3.11Å |
| 72 | Q | 96.9 | Very high | 97.1 | Very high | 105 Ų | 105 | 101.7 Ų | 101.7 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 176.2 | -179.9 | 177.7 | -11.5 | 0 | 0 | 111.4 | A68 N69 G74 A75 E76 | A68-Q72 WeakPolarHBondContact O-CB 3.44Å; A68-Q72 PolarHBondContact O-N 3.41Å; N69-Q72 PolarHBondContact O-N 3.35Å; Q72-G74 PolarHBondContact O-N 3.44Å; Q72-A75 PolarHBondContact O-N 2.83Å; Q72-A75 VanDerWaalsContact O-N 3.11Å; Q72-E76 HydrophobicContact CG-CG 4.33Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.4Å; Q72-E76 PolarHBondContact NE2-OE1 2.8Å; Q72-E76 WeakPolarHBondContact O-CG 3.22Å; Q72-E76 PolarHBondContact O-N 3.21Å |
| 73 | A | 97.3 | Very high | 97.1 | Very high | 55 Ų | 55 | 100.3 Ų | 100.3 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -36.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | N69 V70 K77 | N69-A73 WeakPolarHBondContact O-CB 3.42Å; N69-A73 PolarHBondContact O-N 3.13Å; V70-A73 PolarHBondContact O-N 2.96Å; A73-K77 WeakPolarHBondContact O-CB 3.23Å; A73-K77 PolarHBondContact O-N 3.36Å |
| 74 | G | 97.3 | Very high | 97.1 | Very high | 33 Ų | 33 | 97.4 Ų | 97.4 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V70 K71 Q72 K77 Q78 | V70-G74 PolarHBondContact O-N 3.45Å; K71-G74 PolarHBondContact O-N 3.5Å; Q72-G74 PolarHBondContact O-N 3.44Å; G74-K77 PolarHBondContact O-N 2.89Å; G74-Q78 WeakPolarHBondContact O-CG 3.43Å; G74-Q78 PolarHBondContact O-N 3.14Å; G74-Q78 VanDerWaalsContact O-N 3.12Å |
| 75 | A | 96.5 | Very high | 97.1 | Very high | 56 Ų | 56 | 98.7 Ų | 98.7 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K71 Q72 K77 Q78 L79 | K71-A75 PolarHBondContact O-N 3.11Å; Q72-A75 PolarHBondContact O-N 2.83Å; Q72-A75 VanDerWaalsContact O-N 3.11Å; A75-K77 VanDerWaalsContact C-N 3.32Å; A75-K77 PolarHBondContact O-N 2.89Å; A75-Q78 PolarHBondContact O-N 3.03Å; A75-L79 WeakPolarHBondContact O-CB 3.3Å; A75-L79 PolarHBondContact O-N 2.87Å |
| 76 | E | 97.1 | Very high | 97.1 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.6 | -74.2 | 176.6 | -177.7 | 0 | 0 | 111.9 | Q72 L79 K80 | Q72-E76 HydrophobicContact CG-CG 4.33Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.4Å; Q72-E76 PolarHBondContact NE2-OE1 2.8Å; Q72-E76 WeakPolarHBondContact O-CG 3.22Å; Q72-E76 PolarHBondContact O-N 3.21Å; E76-L79 PolarHBondContact O-N 3.41Å; E76-K80 PolarHBondContact O-N 3.45Å |
| 77 | K | 97.7 | Very high | 97.1 | Very high | 137 Ų | 137 | 94.9 Ų | 94.9 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 174 | -177.7 | -179.2 | 173.1 | -175.1 | 0 | 111.4 | A73 G74 A75 L79 K80 E81 | A73-K77 WeakPolarHBondContact O-CB 3.23Å; A73-K77 PolarHBondContact O-N 3.36Å; G74-K77 PolarHBondContact O-N 2.89Å; A75-K77 VanDerWaalsContact C-N 3.32Å; A75-K77 PolarHBondContact O-N 2.89Å; K77-L79 VanDerWaalsContact C-N 3.32Å; K77-L79 PolarHBondContact O-N 2.92Å; K77-K80 PolarHBondContact O-N 3.3Å; K77-E81 WeakPolarHBondContact CE-OE1 3.31Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.21Å |
| 78 | Q | 96.8 | Very high | 97.1 | Very high | 136 Ų | 136 | 94.7 Ų | 94.7 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | 178.2 | -71.5 | 177.3 | 6.5 | 0 | 0 | 112 | G74 A75 K80 E81 A82 | G74-Q78 WeakPolarHBondContact O-CG 3.43Å; G74-Q78 PolarHBondContact O-N 3.14Å; G74-Q78 VanDerWaalsContact O-N 3.12Å; A75-Q78 PolarHBondContact O-N 3.03Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.45Å; Q78-E81 PolarHBondContact O-N 3.48Å; Q78-A82 WeakPolarHBondContact O-CB 3.24Å; Q78-A82 PolarHBondContact O-N 2.71Å |
| 79 | L | 97.3 | Very high | 97.1 | Very high | 116 Ų | 116 | 97 Ų | 97 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.9 | -46.2 | 175.1 | -179 | 67 | 0 | 0 | 0 | 110.9 | A75 E76 K77 E81 A82 Q83 | A75-L79 WeakPolarHBondContact O-CB 3.3Å; A75-L79 PolarHBondContact O-N 2.87Å; E76-L79 PolarHBondContact O-N 3.41Å; K77-L79 VanDerWaalsContact C-N 3.32Å; K77-L79 PolarHBondContact O-N 2.92Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.34Å; L79-A82 PolarHBondContact O-N 3.02Å; L79-Q83 WeakPolarHBondContact O-CB 3.25Å; L79-Q83 PolarHBondContact O-N 3.39Å |
| 80 | K | 97.6 | Very high | 97.1 | Very high | 169 Ų | 169 | 98.7 Ų | 98.7 | 74% | 0.735 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | 178.2 | -170.2 | 175.8 | -177.8 | 177.3 | 0 | 112.3 | E76 K77 Q78 Q83 G84 | E76-K80 PolarHBondContact O-N 3.45Å; K77-K80 PolarHBondContact O-N 3.3Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.45Å; K80-Q83 PolarHBondContact O-N 3.49Å; K80-G84 PolarHBondContact O-N 2.93Å |
| 81 | E | 97.6 | Very high | 97 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.4 | -71.5 | 174.6 | -172.6 | 0 | 0 | 112 | K77 Q78 L79 G84 K85 | K77-E81 WeakPolarHBondContact CE-OE1 3.31Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.21Å; Q78-E81 PolarHBondContact O-N 3.48Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.34Å; E81-G84 PolarHBondContact O-N 2.98Å; E81-K85 WeakPolarHBondContact O-CG 3.39Å; E81-K85 PolarHBondContact O-N 2.88Å; E81-K85 VanDerWaalsContact O-N 3.17Å |
| 82 | A | 96.7 | Very high | 96.9 | Very high | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q78 L79 G84 K85 I86 | Q78-A82 WeakPolarHBondContact O-CB 3.24Å; Q78-A82 PolarHBondContact O-N 2.71Å; L79-A82 PolarHBondContact O-N 3.02Å; A82-G84 VanDerWaalsContact C-N 3.33Å; A82-G84 PolarHBondContact O-N 3.28Å; A82-K85 WeakPolarHBondContact O-CB 3.38Å; A82-K85 PolarHBondContact O-N 3.36Å; A82-K85 VanDerWaalsContact O-N 3.13Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.89Å |
| 83 | Q | 96.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 93.1 Ų | 93.1 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 176.1 | -165 | 67 | 30.1 | 0 | 0 | 111.2 | L79 K80 K85 I86 D87 | L79-Q83 WeakPolarHBondContact O-CB 3.25Å; L79-Q83 PolarHBondContact O-N 3.39Å; K80-Q83 PolarHBondContact O-N 3.49Å; Q83-K85 VanDerWaalsContact C-N 3.3Å; Q83-K85 PolarHBondContact O-N 3.25Å; Q83-I86 WeakPolarHBondContact O-CB 3.33Å; Q83-I86 PolarHBondContact O-N 3.43Å; Q83-I86 VanDerWaalsContact O-N 3.1Å; Q83-D87 PolarHBondContact O-N 3.47Å |
| 84 | G | 97.4 | Very high | 96.7 | Very high | 32 Ų | 32 | 94.3 Ų | 94.3 | 33% | 0.33 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K80 E81 A82 D87 V88 | K80-G84 PolarHBondContact O-N 2.93Å; E81-G84 PolarHBondContact O-N 2.98Å; A82-G84 VanDerWaalsContact C-N 3.33Å; A82-G84 PolarHBondContact O-N 3.28Å; G84-D87 PolarHBondContact O-N 3.09Å; G84-V88 WeakPolarHBondContact O-CG2 3.31Å; G84-V88 PolarHBondContact O-N 3.5Å; G84-V88 VanDerWaalsContact O-N 3.16Å |
| 85 | K | 97.3 | Very high | 96.6 | Very high | 146 Ų | 146 | 95.4 Ų | 95.4 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | 173.1 | -69.1 | 175.4 | -177.4 | 175.7 | 0 | 112 | E81 A82 Q83 D87 V88 L89 | E81-K85 WeakPolarHBondContact O-CG 3.39Å; E81-K85 PolarHBondContact O-N 2.88Å; E81-K85 VanDerWaalsContact O-N 3.17Å; A82-K85 WeakPolarHBondContact O-CB 3.38Å; A82-K85 PolarHBondContact O-N 3.36Å; A82-K85 VanDerWaalsContact O-N 3.13Å; Q83-K85 VanDerWaalsContact C-N 3.3Å; Q83-K85 PolarHBondContact O-N 3.25Å; K85-D87 VanDerWaalsContact C-N 3.33Å; K85-V88 PolarHBondContact O-N 3.32Å; K85-L89 VanDerWaalsContact O-CG 3.31Å; K85-L89 WeakPolarHBondContact O-CG 3.36Å; K85-L89 PolarHBondContact O-N 3.49Å |
| 86 | I | 96.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 97.9 Ų | 97.9 | 42% | 0.415 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.8 | -68.3 | 169.5 | 0 | 0 | 0 | 109.9 | A82 Q83 V88 L89 Q90 | A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.89Å; Q83-I86 WeakPolarHBondContact O-CB 3.33Å; Q83-I86 PolarHBondContact O-N 3.43Å; Q83-I86 VanDerWaalsContact O-N 3.1Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.3Å; I86-L89 PolarHBondContact O-N 2.94Å; I86-Q90 VanDerWaalsContact O-CB 3.29Å; I86-Q90 WeakPolarHBondContact O-CB 3.33Å; I86-Q90 PolarHBondContact O-N 2.83Å |
| 87 | D | 97.1 | Very high | 96.2 | Very high | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | -179.2 | -66 | -22 | 0 | 0 | 0 | 112 | Q83 G84 K85 Q90 A91 | Q83-D87 PolarHBondContact O-N 3.47Å; G84-D87 PolarHBondContact O-N 3.09Å; K85-D87 VanDerWaalsContact C-N 3.33Å; D87-Q90 PolarHBondContact O-N 2.99Å; D87-A91 PolarHBondContact O-N 3.46Å |
| 88 | V | 97.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 96.4 Ų | 96.4 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | G84 K85 I86 Q90 A91 E92 | G84-V88 WeakPolarHBondContact O-CG2 3.31Å; G84-V88 PolarHBondContact O-N 3.5Å; G84-V88 VanDerWaalsContact O-N 3.16Å; K85-V88 PolarHBondContact O-N 3.32Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.3Å; V88-Q90 VanDerWaalsContact C-N 3.3Å; V88-Q90 PolarHBondContact O-N 3.07Å; V88-A91 WeakPolarHBondContact O-CB 3.29Å; V88-A91 PolarHBondContact O-N 2.86Å; V88-A91 VanDerWaalsContact O-N 3.15Å; V88-E92 WeakPolarHBondContact O-CG 3.43Å; V88-E92 PolarHBondContact O-N 3.4Å |
| 89 | L | 96.8 | Very high | 95.1 | Very high | 100 Ų | 100 | 94.9 Ų | 94.9 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 178.9 | -71 | 172.4 | 0 | 0 | 0 | 112 | K85 I86 A91 E92 V93 | K85-L89 VanDerWaalsContact O-CG 3.31Å; K85-L89 WeakPolarHBondContact O-CG 3.36Å; K85-L89 PolarHBondContact O-N 3.49Å; I86-L89 PolarHBondContact O-N 2.94Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 2.96Å; L89-E92 PolarHBondContact O-N 3.48Å; L89-V93 WeakPolarHBondContact O-CB 3.33Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.29Å; L89-V93 PolarHBondContact O-N 3Å |
| 90 | Q | 96 | Very high | 94.6 | Very high | 128 Ų | 128 | 94 Ų | 94 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 176.2 | -165.1 | 106.4 | 2.3 | 0 | 0 | 111 | I86 D87 V88 T94 | I86-Q90 VanDerWaalsContact O-CB 3.29Å; I86-Q90 WeakPolarHBondContact O-CB 3.33Å; I86-Q90 PolarHBondContact O-N 2.83Å; D87-Q90 PolarHBondContact O-N 2.99Å; V88-Q90 VanDerWaalsContact C-N 3.3Å; V88-Q90 PolarHBondContact O-N 3.07Å; Q90-T94 WeakPolarHBondContact O-CB 3.49Å; Q90-T94 PolarHBondContact O-N 3.08Å; Q90-T94 PolarHBondContact O-OG1 3.11Å |
| 91 | A | 96.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 92.1 Ų | 92.1 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D87 V88 L89 T94 A95 | D87-A91 PolarHBondContact O-N 3.46Å; V88-A91 WeakPolarHBondContact O-CB 3.29Å; V88-A91 PolarHBondContact O-N 2.86Å; V88-A91 VanDerWaalsContact O-N 3.15Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 2.96Å; A91-T94 PolarHBondContact O-N 3.35Å; A91-A95 PolarHBondContact O-N 3.39Å |
| 92 | E | 95.2 | Very high | 92.5 | Very high | 105 Ų | 105 | 91.6 Ų | 91.6 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 176 | -72.2 | 179.1 | -175.6 | 0 | 0 | 112 | V88 L89 T94 A95 L96 | V88-E92 WeakPolarHBondContact O-CG 3.43Å; V88-E92 PolarHBondContact O-N 3.4Å; L89-E92 PolarHBondContact O-N 3.48Å; E92-T94 VanDerWaalsContact C-N 3.26Å; E92-T94 PolarHBondContact O-N 3.26Å; E92-A95 PolarHBondContact O-N 3.45Å; E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 3.47Å |
| 93 | V | 96.1 | Very high | 91 | Very high | 72 Ų | 72 | 93.8 Ų | 93.8 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | L89 K97 | L89-V93 WeakPolarHBondContact O-CB 3.33Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.29Å; L89-V93 PolarHBondContact O-N 3Å; V93-K97 HydrophobicContact CG1-CD 4.19Å; V93-K97 HydrophobicContact CG1-CG 4.48Å; V93-K97 WeakPolarHBondContact O-CB 3.37Å; V93-K97 WeakPolarHBondContact O-CG 3.39Å; V93-K97 PolarHBondContact O-N 2.96Å |
| 94 | T | 93.6 | Very high | 89.3 | Confident | 80 Ų | 80 | 94 Ų | 94 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 178.2 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | Q90 A91 E92 K97 T98 | Q90-T94 WeakPolarHBondContact O-CB 3.49Å; Q90-T94 PolarHBondContact O-N 3.08Å; Q90-T94 PolarHBondContact O-OG1 3.11Å; A91-T94 PolarHBondContact O-N 3.35Å; E92-T94 VanDerWaalsContact C-N 3.26Å; E92-T94 PolarHBondContact O-N 3.26Å; T94-K97 PolarHBondContact O-N 3.31Å; T94-T98 PolarHBondContact O-N 3.49Å; T94-T98 PolarHBondContact O-OG1 3.06Å |
| 95 | A | 94.5 | Very high | 87.1 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.7 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A91 E92 T98 L99 | A91-A95 PolarHBondContact O-N 3.39Å; E92-A95 PolarHBondContact O-N 3.45Å; A95-T98 WeakPolarHBondContact O-CB 3.44Å; A95-T98 PolarHBondContact O-N 3.29Å; A95-L99 PolarHBondContact O-N 3.22Å |
| 96 | L | 92.9 | Very high | 84.8 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -45 | 176.2 | -75 | 170.8 | 0 | 0 | 0 | 112.1 | E92 T98 L99 V100 | E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 3.47Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 2.94Å; L96-L99 PolarHBondContact O-N 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.33Å; L96-V100 PolarHBondContact O-N 3.28Å |
| 97 | K | 92.5 | Very high | 82.5 | Confident | 134 Ų | 134 | 97.7 Ų | 97.7 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.9 | -42.3 | 174.5 | -79.5 | 176.2 | 179.7 | 176.6 | 0 | 111.7 | V93 T94 V100 L101 | V93-K97 HydrophobicContact CG1-CD 4.19Å; V93-K97 HydrophobicContact CG1-CG 4.48Å; V93-K97 WeakPolarHBondContact O-CB 3.37Å; V93-K97 WeakPolarHBondContact O-CG 3.39Å; V93-K97 PolarHBondContact O-N 2.96Å; T94-K97 PolarHBondContact O-N 3.31Å; K97-V100 PolarHBondContact O-N 3.11Å; K97-L101 WeakPolarHBondContact O-CB 3.35Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.31Å; K97-L101 PolarHBondContact O-N 3.01Å |
| 98 | T | 88.2 | Confident | 80.3 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.4 | -44.6 | 178.2 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | T94 A95 L96 V100 L101 T102 | T94-T98 PolarHBondContact O-N 3.49Å; T94-T98 PolarHBondContact O-OG1 3.06Å; A95-T98 WeakPolarHBondContact O-CB 3.44Å; A95-T98 PolarHBondContact O-N 3.29Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 2.94Å; T98-V100 PolarHBondContact O-N 3.05Å; T98-L101 PolarHBondContact O-N 3.36Å; T98-T102 WeakPolarHBondContact O-CG2 3.41Å; T98-T102 PolarHBondContact O-N 2.9Å; T98-T102 PolarHBondContact O-OG1 2.99Å; T98-T102 VanDerWaalsContact O-OG1 3.13Å |
| 99 | L | 83.3 | Confident | 77.9 | Confident | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.8 | -40.7 | 176.2 | -79.2 | 170.1 | 0 | 0 | 0 | 112.9 | A95 L96 T102 S103 | A95-L99 PolarHBondContact O-N 3.22Å; L96-L99 PolarHBondContact O-N 3.28Å; L99-T102 WeakPolarHBondContact CA-OG1 3.23Å; L99-T102 PolarHBondContact O-N 2.89Å; L99-T102 PolarHBondContact O-OG1 3.01Å; L99-T102 VanDerWaalsContact O-OG1 3.05Å; L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.29Å; L99-S103 PolarHBondContact O-N 3.43Å; L99-S103 PolarHBondContact O-OG 2.92Å |
| 100 | V | 86.6 | Confident | 75.8 | Confident | 96 Ų | 96 | 106 Ų | 106 | 58% | 0.582 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -44.9 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | L96 K97 T98 T102 S103 T104 | L96-V100 WeakPolarHBondContact O-CG2 3.33Å; L96-V100 PolarHBondContact O-N 3.28Å; K97-V100 PolarHBondContact O-N 3.11Å; T98-V100 PolarHBondContact O-N 3.05Å; V100-T102 VanDerWaalsContact C-N 3.34Å; V100-T102 PolarHBondContact O-N 3.34Å; V100-S103 PolarHBondContact O-N 2.94Å; V100-T104 PolarHBondContact O-N 3.46Å; V100-T104 PolarHBondContact O-OG1 2.89Å |
| 101 | L | 79.2 | Confident | 73.8 | Confident | 130 Ų | 130 | 108.3 Ų | 108.3 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65 | -34.9 | 178.7 | -72 | 169.5 | 0 | 0 | 0 | 112.8 | K97 T98 | K97-L101 WeakPolarHBondContact O-CB 3.35Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.31Å; K97-L101 PolarHBondContact O-N 3.01Å; T98-L101 PolarHBondContact O-N 3.36Å |
| 102 | T | 71.4 | Confident | 71.7 | Confident | 94 Ų | 94 | 111.7 Ų | 111.7 | 58% | 0.577 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.4 | -26.3 | 176.6 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | T98 L99 V100 T104 | T98-T102 WeakPolarHBondContact O-CG2 3.41Å; T98-T102 PolarHBondContact O-N 2.9Å; T98-T102 PolarHBondContact O-OG1 2.99Å; T98-T102 VanDerWaalsContact O-OG1 3.13Å; L99-T102 WeakPolarHBondContact CA-OG1 3.23Å; L99-T102 PolarHBondContact O-N 2.89Å; L99-T102 PolarHBondContact O-OG1 3.01Å; L99-T102 VanDerWaalsContact O-OG1 3.05Å; V100-T102 VanDerWaalsContact C-N 3.34Å; V100-T102 PolarHBondContact O-N 3.34Å; T102-T104 VanDerWaalsContact C-N 3.35Å |
| 103 | S | 65.2 | Low | 69.5 | Low | 93 Ų | 93 | 112.9 Ų | 112.9 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -79.6 | -14.5 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 113.7 | L99 V100 | L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.29Å; L99-S103 PolarHBondContact O-N 3.43Å; L99-S103 PolarHBondContact O-OG 2.92Å; V100-S103 PolarHBondContact O-N 2.94Å |
| 104 | T | 62.4 | Low | 67.6 | Low | 97 Ų | 97 | 114.9 Ų | 114.9 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -130.4 | 89.7 | 171.1 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | V100 T102 S106 | V100-T104 PolarHBondContact O-N 3.46Å; V100-T104 PolarHBondContact O-OG1 2.89Å; T102-T104 VanDerWaalsContact C-N 3.35Å; T104-S106 PolarHBondContact O-N 3.13Å |
| 105 | P | 51.3 | Low | 65.7 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 74% | 0.74 | 66% | 0.661 | S | S | * | * | trans | -68.8 | 131.1 | 168.8 | 29.5 | -30.2 | 0 | 0 | 0 | 108.7 | S107 | P105-S107 PolarHBondContact O-N 3.03Š| ||
| 106 | S | 47.4 | Very low | 63.4 | Low | 120 Ų | 120 | 123.7 Ų | 123.7 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -46.2 | 115.1 | -175.1 | -50.4 | 0 | 0 | 0 | 0 | 114.7 | T104 | T104-S106 PolarHBondContact O-N 3.13Š|
| 107 | S | 49.2 | Very low | 61.1 | Low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | 176.7 | 119.7 | 131 | 35.2 | 0 | 0 | 0 | 0 | 109.9 | P105 N109 | P105-S107 PolarHBondContact O-N 3.03Å; S107-N109 PolarHBondContact O-N 2.99Å; S107-N109 VanDerWaalsContact O-N 3.12Å | ||
| 108 | P | 50.5 | Low | 58.8 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -68.6 | 115.7 | 170.2 | 27.2 | -29.1 | 0 | 0 | 0 | 107.9 | R110 | P108-R110 PolarHBondContact O-N 3.49Š| ||
| 109 | N | 47.3 | Very low | 56.4 | Low | 98 Ų | 98 | 128.6 Ų | 128.6 | 52% | 0.524 | 72% | 0.72 | S | S | . | * | trans | -56.7 | 102.4 | 177.8 | -172.9 | -1.2 | 0 | 0 | 0 | 110.1 | S107 Q111 | S107-N109 PolarHBondContact O-N 2.99Å; S107-N109 VanDerWaalsContact O-N 3.12Å; N109-Q111 PolarHBondContact O-N 3.49Å; N109-Q111 VanDerWaalsContact O-N 3.15Å; N109-Q111 PolarHBondContact OD1-N 3.08Å | ||
| 110 | R | 53 | Low | 54.2 | Low | 225 Ų | 225 | 126.9 Ų | 126.9 | 85% | 0.849 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -5.7 | -179 | -112 | -172.7 | 177.6 | -164.8 | -0 | 113.6 | P108 | P108-R110 PolarHBondContact O-N 3.49Š|
| 111 | Q | 54.4 | Low | 51.8 | Low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 1.4 | -169.1 | -62.2 | -173.2 | -67.1 | 0 | 0 | 114.8 | N109 | N109-Q111 PolarHBondContact O-N 3.49Å; N109-Q111 VanDerWaalsContact O-N 3.15Å; N109-Q111 PolarHBondContact OD1-N 3.08Å |
| 112 | L | 51.4 | Low | 49.7 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -108.5 | 4 | 179.2 | -66.3 | 175.5 | 0 | 0 | 0 | 114.5 | ||
| 113 | H | 50 | Low | 47.8 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 60% | 0.602 | 76% | 0.761 | S | S | * | * | trans | -120.9 | 99.1 | 175.9 | -92 | -104.2 | 0 | 0 | 0 | 111.3 | Q115 | H113-Q115 PolarHBondContact O-N 3.28Š| ||
| 114 | P | 54.6 | Low | 46.4 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -61.6 | -6.9 | 172 | -25.2 | 35.1 | 0 | 0 | 0 | 115.3 | ||
| 115 | Q | 55 | Low | 45.2 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -92.9 | 10.4 | -167 | -68.1 | -175.7 | -30.7 | 0 | 0 | 115.9 | H113 | H113-Q115 PolarHBondContact O-N 3.28Š|
| 116 | L | 46.4 | Very low | 44.7 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -109 | 15.8 | 173.9 | -69 | 176.1 | 0 | 0 | 0 | 114.1 | S118 | L116-S118 PolarHBondContact O-N 2.94Š|
| 117 | Q | 44.7 | Very low | 44.2 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -84.8 | 104.5 | 167.3 | -65.7 | -172.9 | 9.2 | 0 | 0 | 109.5 | S119 | Q117-S119 PolarHBondContact O-N 3.3Š| ||
| 118 | S | 42.8 | Very low | 43.5 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -84.3 | 109 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | L116 | L116-S118 PolarHBondContact O-N 2.94Š| ||
| 119 | S | 38.2 | Very low | 42.8 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -176.2 | 138.2 | 147.4 | 57.5 | 0 | 0 | 0 | 0 | 105.8 | Q117 | Q117-S119 PolarHBondContact O-N 3.3Š| ||
| 120 | G | 37.8 | Very low | 42.2 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 165.2 | 159 | 8.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 121 | S | 34.6 | Very low | 41.7 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 91.3 | 110.8 | 168.9 | -154.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 122 | R | 35.4 | Very low | 41 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | 53.2 | 126.8 | 133.6 | -65.3 | -177.3 | 158.8 | 146.4 | -2.2 | 120.5 | ||||
| 123 | G | 32.6 | Very low | 40.6 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 160.3 | 110 | 151 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 124 | S | 35.8 | Very low | 40 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 65% | 0.65 | 83% | 0.83 | S | S | * | * | trans | -64.7 | 142.7 | 169.9 | 164.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 125 | H | 37.6 | Very low | 39 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | 162.7 | 154.7 | 124.3 | -79.3 | -54.7 | 0 | 0 | 0 | 113.5 | |||||
| 126 | R | 40.6 | Very low | 38.1 | Very low | 222 Ų | 222 | 145.9 Ų | 145.9 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | trans | -82.3 | 152.5 | -162.6 | -60.1 | 176.8 | 170.5 | -150.8 | -1 | 115.1 | ||||
| 127 | R | 37.2 | Very low | 37.6 | Very low | 240 Ų | 240 | 145.3 Ų | 145.3 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | 136.6 | 140.1 | 122 | -75.9 | -166.4 | -171.7 | -140.8 | 2.6 | 114.2 | |||||
| 128 | G | 32.9 | Very low | 37 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | 108.1 | 85.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 129 | A | 37 | Very low | 36.6 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 95% | 0.95 | 83% | 0.834 | S | S | * | * | 73.2 | 109.3 | 88 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 130 | G | 33.2 | Very low | 36.3 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | 171 | 96.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 131 | H | 44.2 | Very low | 36.1 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 88% | 0.884 | 84% | 0.838 | S | S | * | * | trans | -58.5 | 145.3 | 169.2 | -81.1 | -86.2 | 0 | 0 | 0 | 111.4 | ||||
| 132 | I | 38.4 | Very low | 36.1 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 89% | 0.892 | 85% | 0.847 | S | S | * | * | trans | -170.1 | 151.2 | 131.6 | -89 | 144.3 | 0 | 0 | 0 | 109.4 | ||||
| 133 | R | 43.8 | Very low | 35.9 | Very low | 238 Ų | 238 | 143.5 Ų | 143.5 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | trans | -74.5 | 153.1 | -154.8 | -62.8 | 168.6 | 172.8 | 170 | -4.4 | 114.8 | ||||
| 134 | T | 36.3 | Very low | 36 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 90% | 0.896 | 84% | 0.844 | S | S | * | * | trans | -64.6 | 127.7 | 174.7 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 135 | S | 34 | Very low | 36 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 84% | 0.839 | 86% | 0.855 | S | S | * | * | trans | -130.7 | 111.7 | 159.3 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 136 | S | 36 | Very low | 35.7 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 86% | 0.855 | S | S | * | * | trans | -87 | 116 | 176.4 | 46.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 137 | V | 36.1 | Very low | 35.5 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 86% | 0.858 | S | S | * | * | trans | -30.1 | 136.5 | 139.3 | -101.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 138 | G | 31.9 | Very low | 35.5 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 85% | 0.849 | S | S | * | * | cis | 86.9 | 80.8 | 35.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 139 | A | 34.9 | Very low | 35.3 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 85% | 0.851 | 85% | 0.854 | S | S | * | * | trans | -109 | 110.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 140 | A | 33 | Very low | 35.5 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | 35.8 | 122.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 141 | F | 33.5 | Very low | 35.5 | Very low | 200 Ų | 200 | 142 Ų | 142 | 88% | 0.877 | 84% | 0.841 | S | S | * | * | trans | -65.3 | 147 | 155.9 | -74.5 | -97.3 | 0 | 0 | 0 | 112.5 | ||||
| 142 | Q | 33.9 | Very low | 35.3 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | trans | -130.3 | 143 | 144.3 | -75.8 | -170.4 | 19.5 | 0 | 0 | 110 | ||||
| 143 | T | 31.7 | Very low | 35.3 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -95 | 139.9 | -169.1 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 144 | S | 33.1 | Very low | 35.6 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -162.3 | 142.3 | 139.5 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 145 | S | 37.3 | Very low | 36 | Very low | 127 Ų | 127 | 130 Ų | 130 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -68.3 | 147 | -168.5 | 53.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 146 | G | 30.4 | Very low | 36.7 | Very low | 83 Ų | 83 | 133 Ų | 133 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 159.3 | 118.1 | 159 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 147 | K | 36.3 | Very low | 37.1 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 170.1 | -171.9 | -169.9 | -178.5 | -173.5 | -173 | 0 | 112.3 | ||||
| 148 | P | 37.7 | Very low | 38 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | cis | -117.7 | 142.4 | -41.5 | 32.6 | -16.5 | 0 | 0 | 0 | 112.8 | ||||
| 149 | E | 28.7 | Very low | 39.2 | Very low | 186 Ų | 186 | 132.2 Ų | 132.2 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -89.1 | 143.8 | 165.2 | -95.5 | -135.1 | 138.3 | 0 | 0 | 111.7 | ||||
| 150 | P | 41 | Very low | 40.4 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 125.1 | 172.2 | 30.4 | -29.3 | 0 | 0 | 0 | 110.7 | T152 | P150-T152 PolarHBondContact O-N 2.77Š| ||
| 151 | S | 34.1 | Very low | 42.4 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -63.7 | 115.5 | 173.9 | 43.4 | 0 | 0 | 0 | 0 | 111.5 | V153 | S151-V153 PolarHBondContact O-N 2.89Å; S151-V153 VanDerWaalsContact O-N 3.14Å | ||
| 152 | T | 39.8 | Very low | 44.8 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -20.9 | 97.4 | 162.2 | -13.1 | 0 | 0 | 0 | 0 | 114.2 | P150 | P150-T152 PolarHBondContact O-N 2.77Š| ||
| 153 | V | 37.9 | Very low | 47.3 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | trans | -83.6 | 118.8 | 155.6 | -173.6 | 0 | 0 | 0 | 0 | 105.8 | S151 I155 | S151-V153 PolarHBondContact O-N 2.89Å; S151-V153 VanDerWaalsContact O-N 3.14Å; V153-I155 HydrophobicContact CB-CD1 4.36Å; V153-I155 HydrophobicContact CB-CG1 3.98Å; V153-I155 HydrophobicContact CG1-CD1 4.31Å; V153-I155 HydrophobicContact CG1-CG1 3.59Å; V153-I155 PolarHBondContact O-N 3.31Å | ||
| 154 | S | 50.1 | Low | 50.1 | Low | 120 Ų | 120 | 134.1 Ų | 134.1 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -69.6 | 69.1 | 165.2 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 155 | I | 44.4 | Very low | 53 | Low | 123 Ų | 123 | 130.6 Ų | 130.6 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | trans | -64.1 | 127.5 | 156.1 | -59.3 | 174.4 | 0 | 0 | 0 | 103.8 | V153 S157 | V153-I155 HydrophobicContact CB-CD1 4.36Å; V153-I155 HydrophobicContact CB-CG1 3.98Å; V153-I155 HydrophobicContact CG1-CD1 4.31Å; V153-I155 HydrophobicContact CG1-CG1 3.59Å; V153-I155 PolarHBondContact O-N 3.31Å; I155-S157 PolarHBondContact O-N 3.31Å | ||
| 156 | Q | 48.3 | Very low | 55.8 | Low | 183 Ų | 183 | 128.4 Ų | 128.4 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -56.8 | 96.1 | 158.1 | -82.1 | 179.7 | -11.4 | 0 | 0 | 104.9 | V158 | Q156-V158 PolarHBondContact O-N 2.89Š| ||
| 157 | S | 45.8 | Very low | 59 | Low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | -50.3 | 114.2 | 174.9 | 52.2 | 0 | 0 | 0 | 0 | 104.4 | I155 A159 | I155-S157 PolarHBondContact O-N 3.31Å; S157-A159 PolarHBondContact O-N 3.32Å | ||
| 158 | V | 53.3 | Low | 61.9 | Low | 127 Ų | 127 | 123.5 Ų | 123.5 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | -47 | 109.3 | 151.8 | 177.3 | 0 | 0 | 0 | 0 | 102.3 | Q156 T160 | Q156-V158 PolarHBondContact O-N 2.89Å; V158-T160 PolarHBondContact O-N 2.92Å | ||
| 159 | A | 57 | Low | 64.7 | Low | 83 Ų | 83 | 119.8 Ų | 119.8 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | trans | -63.1 | 93.9 | -180 | 0 | 0 | 0 | 0 | 0 | 104.2 | S157 E161 | S157-A159 PolarHBondContact O-N 3.32Å; A159-E161 VanDerWaalsContact C-N 3.29Å; A159-E161 PolarHBondContact O-N 3.13Å | ||
| 160 | T | 61.6 | Low | 68 | Low | 115 Ų | 115 | 112.7 Ų | 112.7 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | trans | -60.3 | 106.2 | 168.2 | -57.3 | 0 | 0 | 0 | 0 | 102.8 | V158 E162 | V158-T160 PolarHBondContact O-N 2.92Å; T160-E162 PolarHBondContact O-N 3.18Å | ||
| 161 | E | 74.4 | Confident | 70.7 | Confident | 115 Ų | 115 | 109.7 Ų | 109.7 | 54% | 0.537 | 62% | 0.62 | S | S | . | * | trans | -60.6 | 94.6 | 173.5 | -75.2 | -171.6 | 164.2 | 0 | 0 | 106.2 | A159 R163 R321 | A159-E161 VanDerWaalsContact C-N 3.29Å; A159-E161 PolarHBondContact O-N 3.13Å; E161-R163 PolarHBondContact O-N 3.31Å; E161-R163 VanDerWaalsContact O-N 3.17Å; E161-R321 IonicContact OE1-CZ 3.28Å; E161-R321 IonicContact OE1-NH2 2.69Å; E161-R321 PolarHBondContact OE1-NH2 2.96Å; E161-R321 IonicContact OE2-NH2 3.96Å | ||
| 162 | E | 83 | Confident | 73.8 | Confident | 186 Ų | 186 | 106 Ų | 106 | 87% | 0.869 | 59% | 0.59 | S | S | * | * | trans | -63.9 | 114.8 | 169.7 | -71 | -173 | 173.6 | 0 | 0 | 106.7 | T160 | T160-E162 PolarHBondContact O-N 3.18Š| ||
| 163 | R | 86.6 | Confident | 76.6 | Confident | 177 Ų | 177 | 99.1 Ų | 99.1 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | trans | -110.8 | 115.3 | -177.5 | -76.2 | -175.6 | -72.2 | -175.6 | -2.2 | 108.5 | E161 W314 | E161-R163 PolarHBondContact O-N 3.31Å; E161-R163 VanDerWaalsContact O-N 3.17Å; R163-W314 HydrophobicContact CB-CH2 3.65Å; R163-W314 HydrophobicContact CB-CZ2 4.22Å; R163-W314 HydrophobicContact CB-CZ3 4.02Å; R163-W314 HydrophobicContact CG-CH2 4.49Å; R163-W314 HydrophobicContact CG-CZ3 4.4Å | ||
| 164 | E | 91.9 | Very high | 79.4 | Confident | 180 Ų | 180 | 97 Ų | 97 | 84% | 0.841 | 53% | 0.533 | S | S | * | . | trans | -105.5 | 138.7 | 175.4 | -173.8 | 177.4 | -171.4 | 0 | 0 | 110 | W314 | E164-W314 WeakPolarHBondContact O-CH2 3.36Š| ||
| 165 | M | 93.1 | Very high | 81.7 | Confident | 53 Ų | 53 | 97 Ų | 97 | 26% | 0.261 | 52% | 0.523 | S | S | . | . | trans | -82.7 | 118.3 | 178.3 | -175.1 | 122.9 | 69.4 | 0 | 0 | 110.1 | S167 F170 E310 F313 W314 | M165-S167 PolarHBondContact O-N 3.38Å; M165-F170 HydrophobicContact CE-CD1 4.26Å; M165-F170 HydrophobicContact CE-CD2 4.12Å; M165-F170 HydrophobicContact CE-CE1 4.18Å; M165-F170 HydrophobicContact CE-CE2 4.05Å; M165-F170 HydrophobicContact CE-CG 4.23Å; M165-F170 HydrophobicContact CE-CZ 4.07Å; M165-F170 HydrophobicContact CG-CB 3.89Å; M165-F170 HydrophobicContact CG-CD2 4.42Å; M165-F170 HydrophobicContact CG-CG 4.07Å; M165-F170 HydrophobicContact SD-CB 4.15Å; M165-F170 HydrophobicContact SD-CD1 4.4Å; M165-F170 HydrophobicContact SD-CD2 3.58Å; M165-F170 VanDerWaalsContact SD-CD2 3.58Å; M165-F170 HydrophobicContact SD-CE2 4.01Å; M165-F170 HydrophobicContact SD-CG 3.8Å; M165-E310 HydrophobicContact CE-CB 4.3Å; M165-E310 HydrophobicContact CE-CG 3.97Å; M165-F313 HydrophobicContact CG-CD1 4.24Å; M165-F313 HydrophobicContact CG-CE1 3.73Å; M165-F313 HydrophobicContact CG-CZ 4.33Å; M165-F313 HydrophobicContact SD-CD1 3.14Å; M165-F313 WeakPolarHBondContact SD-CD1 3.38Å; M165-F313 HydrophobicContact SD-CE1 3.25Å; M165-F313 WeakPolarHBondContact SD-CE1 3.38Å; M165-F313 HydrophobicContact SD-CG 4.03Å; M165-F313 HydrophobicContact SD-CZ 4.19Å; M165-W314 HydrophobicContact CB-CZ2 4.14Å | ||
| 166 | D | 96.8 | Very high | 84.2 | Confident | 80 Ų | 80 | 91.8 Ų | 91.8 | 43% | 0.428 | 50% | 0.495 | S | S | . | . | trans | -67.3 | 117.3 | 169.4 | -176.9 | -66 | 0 | 0 | 0 | 109.8 | V168 L169 F170 | D166-V168 VanDerWaalsContact C-N 3.31Å; D166-V168 PolarHBondContact O-N 3.49Å; D166-V168 WeakPolarHBondContact OD1-CA 3.09Å; D166-V168 VanDerWaalsContact OD1-CB 3.31Å; D166-V168 WeakPolarHBondContact OD1-CB 3.2Å; D166-V168 PolarHBondContact OD1-N 3.07Å; D166-L169 HydrophobicContact CB-CB 4.14Å; D166-L169 HydrophobicContact CB-CD1 4.06Å; D166-L169 HydrophobicContact CB-CG 4.08Å; D166-L169 PolarHBondContact O-N 3.45Å; D166-L169 PolarHBondContact OD1-N 3.46Å; D166-F170 VanDerWaalsContact O-CB 3.31Å; D166-F170 WeakPolarHBondContact O-CB 3.33Å; D166-F170 PolarHBondContact O-N 2.84Å | ||
| 167 | S | 96.4 | Very high | 86.5 | Confident | 93 Ų | 93 | 87.4 Ų | 87.4 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.4 | -29 | -175.6 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | M165 A171 | M165-S167 PolarHBondContact O-N 3.38Å; S167-A171 VanDerWaalsContact O-CB 3.29Å; S167-A171 WeakPolarHBondContact O-CB 3.34Å; S167-A171 PolarHBondContact O-N 2.94Å |
| 168 | V | 97.6 | Very high | 88.8 | Confident | 93 Ų | 93 | 89.4 Ų | 89.4 | 56% | 0.564 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -73.2 | -47.6 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | D166 F170 A171 E172 | D166-V168 VanDerWaalsContact C-N 3.31Å; D166-V168 PolarHBondContact O-N 3.49Å; D166-V168 WeakPolarHBondContact OD1-CA 3.09Å; D166-V168 VanDerWaalsContact OD1-CB 3.31Å; D166-V168 WeakPolarHBondContact OD1-CB 3.2Å; D166-V168 PolarHBondContact OD1-N 3.07Å; V168-F170 VanDerWaalsContact C-N 3.32Å; V168-F170 PolarHBondContact O-N 3.33Å; V168-A171 PolarHBondContact O-N 2.82Å; V168-E172 WeakPolarHBondContact O-CB 3.49Å; V168-E172 PolarHBondContact O-N 3.3Å |
| 169 | L | 97.5 | Very high | 90.8 | Very high | 33 Ų | 33 | 90.6 Ų | 90.6 | 17% | 0.173 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 176.6 | -62.8 | -176.4 | 0 | 0 | 0 | 111.3 | D166 F173 F313 M317 | D166-L169 HydrophobicContact CB-CB 4.14Å; D166-L169 HydrophobicContact CB-CD1 4.06Å; D166-L169 HydrophobicContact CB-CG 4.08Å; D166-L169 PolarHBondContact O-N 3.45Å; D166-L169 PolarHBondContact OD1-N 3.46Å; L169-F173 WeakPolarHBondContact O-CB 3.46Å; L169-F173 PolarHBondContact O-N 3.43Å; L169-F313 HydrophobicContact CB-CE2 4.09Å; L169-F313 HydrophobicContact CB-CZ 4.04Å; L169-M317 HydrophobicContact CB-CE 4.43Å; L169-M317 HydrophobicContact CD1-CE 4.48Å; L169-M317 HydrophobicContact CD1-SD 4.3Å |
| 170 | F | 98.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 88.9 Ų | 88.9 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67 | -44.7 | 177.6 | -171.6 | -122.8 | 0 | 0 | 0 | 111.9 | M165 D166 V168 E172 F173 L174 A309 E310 F313 | M165-F170 HydrophobicContact CE-CD1 4.26Å; M165-F170 HydrophobicContact CE-CD2 4.12Å; M165-F170 HydrophobicContact CE-CE1 4.18Å; M165-F170 HydrophobicContact CE-CE2 4.05Å; M165-F170 HydrophobicContact CE-CG 4.23Å; M165-F170 HydrophobicContact CE-CZ 4.07Å; M165-F170 HydrophobicContact CG-CB 3.89Å; M165-F170 HydrophobicContact CG-CD2 4.42Å; M165-F170 HydrophobicContact CG-CG 4.07Å; M165-F170 HydrophobicContact SD-CB 4.15Å; M165-F170 HydrophobicContact SD-CD1 4.4Å; M165-F170 HydrophobicContact SD-CD2 3.58Å; M165-F170 VanDerWaalsContact SD-CD2 3.58Å; M165-F170 HydrophobicContact SD-CE2 4.01Å; M165-F170 HydrophobicContact SD-CG 3.8Å; D166-F170 VanDerWaalsContact O-CB 3.31Å; D166-F170 WeakPolarHBondContact O-CB 3.33Å; D166-F170 PolarHBondContact O-N 2.84Å; V168-F170 VanDerWaalsContact C-N 3.32Å; V168-F170 PolarHBondContact O-N 3.33Å; F170-E172 PolarHBondContact O-N 3.1Å; F170-F173 HydrophobicContact CD2-CD1 4.24Å; F170-F173 HydrophobicContact CE2-CD1 4.27Å; F170-F173 PolarHBondContact O-N 2.9Å; F170-L174 HydrophobicContact CD1-CD1 4.02Å; F170-L174 HydrophobicContact CD1-CG 4.48Å; F170-L174 HydrophobicContact CE1-CD1 3.73Å; F170-L174 HydrophobicContact CE1-CG 4.26Å; F170-L174 HydrophobicContact CE2-CD2 4.28Å; F170-L174 HydrophobicContact CE2-CG 4.37Å; F170-L174 HydrophobicContact CZ-CD1 4.1Å; F170-L174 HydrophobicContact CZ-CD2 4.06Å; F170-L174 HydrophobicContact CZ-CG 4.2Å; F170-L174 WeakPolarHBondContact O-CG 3.25Å; F170-L174 PolarHBondContact O-N 3.12Å; F170-A309 HydrophobicContact CE2-CB 4.46Å; F170-A309 HydrophobicContact CZ-CB 4.22Å; F170-E310 HydrophobicContact CE2-CG 4.46Å; F170-E310 HydrophobicContact CZ-CG 3.99Å; F170-F313 HydrophobicContact CB-CD2 4.47Å; F170-F313 HydrophobicContact CB-CE2 4.06Å; F170-F313 HydrophobicContact CB-CZ 4.1Å; F170-F313 HydrophobicContact CD2-CB 3.83Å; F170-F313 AromaticContact CD2-CD1 3.97Å; F170-F313 HydrophobicContact CD2-CD1 3.97Å; F170-F313 AromaticContact CD2-CD2 3.66Å; F170-F313 HydrophobicContact CD2-CD2 3.66Å; F170-F313 HydrophobicContact CD2-CE1 4.4Å; F170-F313 HydrophobicContact CD2-CE2 4.1Å; F170-F313 AromaticContact CD2-CG 3.54Å; F170-F313 HydrophobicContact CD2-CG 3.54Å; F170-F313 HydrophobicContact CD2-CZ 4.44Å; F170-F313 HydrophobicContact CE2-CB 3.83Å; F170-F313 HydrophobicContact CE2-CD2 4.48Å; F170-F313 HydrophobicContact CE2-CG 4.07Å |
| 171 | A | 97.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 85.3 Ų | 85.3 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S167 V168 F173 L174 L175 | S167-A171 VanDerWaalsContact O-CB 3.29Å; S167-A171 WeakPolarHBondContact O-CB 3.34Å; S167-A171 PolarHBondContact O-N 2.94Å; V168-A171 PolarHBondContact O-N 2.82Å; A171-F173 VanDerWaalsContact C-N 3.33Å; A171-F173 PolarHBondContact O-N 3.4Å; A171-L174 PolarHBondContact O-N 3.5Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.95Å; A171-L175 VanDerWaalsContact O-N 3.09Å |
| 172 | E | 97.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 83 Ų | 83 | 14% | 0.14 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 174.8 | -176.1 | -176.7 | -99.2 | 0 | 0 | 111.6 | V168 F170 W176 A187 F188 R191 | V168-E172 WeakPolarHBondContact O-CB 3.49Å; V168-E172 PolarHBondContact O-N 3.3Å; F170-E172 PolarHBondContact O-N 3.1Å; E172-W176 PolarHBondContact O-N 3.17Å; E172-W176 VanDerWaalsContact O-N 3.1Å; E172-A187 HydrophobicContact CG-CB 4.22Å; E172-F188 HydrophobicContact CG-CB 4.23Å; E172-R191 IonicContact OE1-CZ 2.74Å; E172-R191 IonicContact OE1-NE 3.49Å; E172-R191 PolarHBondContact OE1-NE 3.47Å; E172-R191 IonicContact OE1-NH2 3.02Å; E172-R191 PolarHBondContact OE1-NH2 2.94Å; E172-R191 WeakPolarHBondContact OE2-CD 3.31Å; E172-R191 IonicContact OE2-NE 3.37Å; E172-R191 PolarHBondContact OE2-NE 3.15Å |
| 173 | F | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.6 | 165.1 | -100.5 | 0 | 0 | 0 | 112.6 | L169 F170 A171 L175 W176 R177 F188 A309 I312 F313 V316 | L169-F173 WeakPolarHBondContact O-CB 3.46Å; L169-F173 PolarHBondContact O-N 3.43Å; F170-F173 HydrophobicContact CD2-CD1 4.24Å; F170-F173 HydrophobicContact CE2-CD1 4.27Å; F170-F173 PolarHBondContact O-N 2.9Å; A171-F173 VanDerWaalsContact C-N 3.33Å; A171-F173 PolarHBondContact O-N 3.4Å; F173-L175 VanDerWaalsContact C-N 3.35Å; F173-L175 PolarHBondContact O-N 3.41Å; F173-W176 AromaticContact CD2-CE3 3.95Å; F173-W176 HydrophobicContact CD2-CE3 3.95Å; F173-W176 HydrophobicContact CD2-CZ3 4.23Å; F173-W176 AromaticContact CE2-CE3 3.97Å; F173-W176 HydrophobicContact CE2-CE3 3.97Å; F173-W176 AromaticContact CE2-CZ3 3.83Å; F173-W176 HydrophobicContact CE2-CZ3 3.83Å; F173-W176 PolarHBondContact O-N 3.33Å; F173-R177 HydrophobicContact CZ-CB 4.39Å; F173-R177 WeakPolarHBondContact O-CB 3.3Å; F173-R177 PolarHBondContact O-N 3.38Å; F173-F188 HydrophobicContact CD2-CE2 4.29Å; F173-A309 WeakPolarHBondContact CE1-O 3.43Å; F173-I312 HydrophobicContact CE2-CG2 4Å; F173-I312 HydrophobicContact CZ-CB 3.94Å; F173-I312 HydrophobicContact CZ-CG2 3.55Å; F173-F313 HydrophobicContact CB-CD2 3.78Å; F173-F313 HydrophobicContact CB-CE2 4.18Å; F173-F313 HydrophobicContact CD1-CB 3.89Å; F173-F313 AromaticContact CD1-CD2 3.82Å; F173-F313 HydrophobicContact CD1-CD2 3.82Å; F173-F313 HydrophobicContact CD1-CG 4.33Å; F173-F313 HydrophobicContact CE1-CB 3.86Å; F173-F313 HydrophobicContact CG-CB 4.49Å; F173-F313 AromaticContact CG-CD2 3.79Å; F173-F313 HydrophobicContact CG-CD2 3.79Å; F173-F313 HydrophobicContact CZ-CB 4.44Å; F173-V316 HydrophobicContact CE2-CG2 4.25Å |
| 174 | L | 97.8 | Very high | 96.1 | Very high | 65 Ų | 65 | 74 Ų | 74 | 34% | 0.34 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 178.3 | -72.6 | 177.9 | 0 | 0 | 0 | 111.2 | F170 A171 W176 R177 E178 A309 | F170-L174 HydrophobicContact CD1-CD1 4.02Å; F170-L174 HydrophobicContact CD1-CG 4.48Å; F170-L174 HydrophobicContact CE1-CD1 3.73Å; F170-L174 HydrophobicContact CE1-CG 4.26Å; F170-L174 HydrophobicContact CE2-CD2 4.28Å; F170-L174 HydrophobicContact CE2-CG 4.37Å; F170-L174 HydrophobicContact CZ-CD1 4.1Å; F170-L174 HydrophobicContact CZ-CD2 4.06Å; F170-L174 HydrophobicContact CZ-CG 4.2Å; F170-L174 WeakPolarHBondContact O-CG 3.25Å; F170-L174 PolarHBondContact O-N 3.12Å; A171-L174 PolarHBondContact O-N 3.5Å; L174-W176 PolarHBondContact O-N 3Å; L174-R177 PolarHBondContact O-N 2.96Å; L174-R177 VanDerWaalsContact O-N 3.14Å; L174-E178 PolarHBondContact O-N 3.35Å; L174-A309 HydrophobicContact CD2-CB 3.86Å |
| 175 | L | 97.3 | Very high | 96.2 | Very high | 120 Ų | 120 | 69.9 Ų | 69.9 | 63% | 0.628 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 175.6 | -70.9 | 171.8 | 0 | 0 | 0 | 112.2 | A171 F173 R177 | A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.95Å; A171-L175 VanDerWaalsContact O-N 3.09Å; F173-L175 VanDerWaalsContact C-N 3.35Å; F173-L175 PolarHBondContact O-N 3.41Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 2.83Å |
| 176 | W | 98 | Very high | 96.3 | Very high | 14 Ų | 14 | 68.6 Ų | 68.6 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 175 | 170.2 | 84.7 | 0 | 0 | 0 | 112 | E172 F173 L174 E178 H179 P180 S181 F188 I297 I300 L301 | E172-W176 PolarHBondContact O-N 3.17Å; E172-W176 VanDerWaalsContact O-N 3.1Å; F173-W176 AromaticContact CD2-CE3 3.95Å; F173-W176 HydrophobicContact CD2-CE3 3.95Å; F173-W176 HydrophobicContact CD2-CZ3 4.23Å; F173-W176 AromaticContact CE2-CE3 3.97Å; F173-W176 HydrophobicContact CE2-CE3 3.97Å; F173-W176 AromaticContact CE2-CZ3 3.83Å; F173-W176 HydrophobicContact CE2-CZ3 3.83Å; F173-W176 PolarHBondContact O-N 3.33Å; L174-W176 PolarHBondContact O-N 3Å; W176-E178 VanDerWaalsContact C-N 3.31Å; W176-E178 PolarHBondContact O-N 3.25Å; W176-H179 CarbonylContact O-C 3.51Å; W176-H179 PolarHBondContact O-N 2.87Å; W176-P180 HydrophobicContact CH2-CB 4.06Å; W176-P180 HydrophobicContact CZ2-CB 3.9Å; W176-P180 HydrophobicContact CZ3-CB 4.49Å; W176-P180 VanDerWaalsContact O-CA 3.26Å; W176-P180 WeakPolarHBondContact O-CA 3.41Å; W176-P180 VanDerWaalsContact O-N 3.1Å; W176-S181 PolarHBondContact NE1-O 2.91Å; W176-F188 HydrophobicContact CB-CB 3.71Å; W176-F188 HydrophobicContact CB-CD1 4.3Å; W176-F188 HydrophobicContact CB-CG 4.08Å; W176-F188 AromaticContact CD1-CD1 3.77Å; W176-F188 AromaticContact CD2-CD1 3.63Å; W176-F188 HydrophobicContact CD2-CD1 3.63Å; W176-F188 HydrophobicContact CD2-CE1 4Å; W176-F188 HydrophobicContact CD2-CG 4.24Å; W176-F188 AromaticContact CE2-CD1 3.81Å; W176-F188 HydrophobicContact CE3-CD1 4.21Å; W176-F188 HydrophobicContact CE3-CE1 4.21Å; W176-F188 HydrophobicContact CG-CB 3.86Å; W176-F188 AromaticContact CG-CD1 3.63Å; W176-F188 HydrophobicContact CG-CD1 3.63Å; W176-F188 HydrophobicContact CG-CE1 4.47Å; W176-F188 AromaticContact CG-CG 3.92Å; W176-F188 HydrophobicContact CG-CG 3.92Å; W176-F188 HydrophobicContact CZ2-CE1 4.35Å; W176-F188 HydrophobicContact CZ3-CE1 4.47Å; W176-F188 AromaticContact NE1-CD1 3.84Å; W176-I297 HydrophobicContact CH2-CD1 3.91Å; W176-I297 HydrophobicContact CH2-CG2 4.11Å; W176-I297 HydrophobicContact CZ2-CD1 4.32Å; W176-I297 HydrophobicContact CZ2-CG2 3.79Å; W176-I300 HydrophobicContact CH2-CB 4.25Å; W176-I300 HydrophobicContact CH2-CD1 4.11Å; W176-I300 HydrophobicContact CH2-CG2 3.89Å; W176-I300 HydrophobicContact CZ3-CD1 4.19Å; W176-I300 HydrophobicContact CZ3-CG2 4.06Å; W176-L301 HydrophobicContact CH2-CD1 4.44Å; W176-L301 HydrophobicContact CZ2-CD1 4.01Å |
| 177 | R | 95.7 | Very high | 96.3 | Very high | 92 Ų | 92 | 68 Ų | 68 | 35% | 0.347 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.6 | -25.1 | -176.5 | -178.1 | 178.8 | 166.3 | -139.7 | -1 | 113.4 | F173 L174 L175 H179 P180 | F173-R177 HydrophobicContact CZ-CB 4.39Å; F173-R177 WeakPolarHBondContact O-CB 3.3Å; F173-R177 PolarHBondContact O-N 3.38Å; L174-R177 PolarHBondContact O-N 2.96Å; L174-R177 VanDerWaalsContact O-N 3.14Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 2.83Å; R177-H179 VanDerWaalsContact C-N 3.25Å; R177-H179 PolarHBondContact O-N 3.16Å; R177-P180 WeakPolarHBondContact O-CD 3.48Å |
| 178 | E | 95 | Very high | 96.4 | Very high | 137 Ų | 137 | 63.7 Ų | 63.7 | 64% | 0.64 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.9 | -37.3 | 172.6 | -69.4 | -178.1 | 166.2 | 0 | 0 | 111.5 | L174 W176 | L174-E178 PolarHBondContact O-N 3.35Å; W176-E178 VanDerWaalsContact C-N 3.31Å; W176-E178 PolarHBondContact O-N 3.25Å |
| 179 | H | 94.2 | Very high | 96.4 | Very high | 152 Ų | 152 | 59.3 Ų | 59.3 | 70% | 0.704 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -134.9 | 71.7 | 178.9 | -62.9 | -55.6 | 0 | 0 | 0 | 110.8 | W176 R177 S181 | W176-H179 CarbonylContact O-C 3.51Å; W176-H179 PolarHBondContact O-N 2.87Å; R177-H179 VanDerWaalsContact C-N 3.25Å; R177-H179 PolarHBondContact O-N 3.16Å; H179-S181 PolarHBondContact O-N 3.39Å |
| 180 | P | 95.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | trans | -68.4 | 128.8 | -170.5 | 29.5 | -33.9 | 0 | 0 | 0 | 110.1 | W176 R177 L301 | W176-P180 HydrophobicContact CH2-CB 4.06Å; W176-P180 HydrophobicContact CZ2-CB 3.9Å; W176-P180 HydrophobicContact CZ3-CB 4.49Å; W176-P180 VanDerWaalsContact O-CA 3.26Å; W176-P180 WeakPolarHBondContact O-CA 3.41Å; W176-P180 VanDerWaalsContact O-N 3.1Å; R177-P180 WeakPolarHBondContact O-CD 3.48Å; P180-L301 HydrophobicContact CB-CD1 4.37Å; P180-L301 HydrophobicContact CB-CG 4.12Å | ||
| 181 | S | 95 | Very high | 96.4 | Very high | 39 Ų | 39 | 61.2 Ų | 61.2 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -143.2 | 159.6 | -178.8 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | W176 H179 D183 L189 | W176-S181 PolarHBondContact NE1-O 2.91Å; H179-S181 PolarHBondContact O-N 3.39Å; S181-D183 VanDerWaalsContact C-N 3.28Å; S181-L189 VanDerWaalsContact O-CD1 3.27Å; S181-L189 WeakPolarHBondContact O-CD1 3.42Å | ||
| 182 | L | 95.7 | Very high | 96.4 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | trans | -91.1 | 10.7 | 169.5 | -70.2 | 177 | 0 | 0 | 0 | 112.5 | R184 L189 F294 I297 R298 L301 | L182-R184 PolarHBondContact O-N 3.39Å; L182-L189 VanDerWaalsContact C-CD1 3.41Å; L182-F294 HydrophobicContact CD2-CD1 4.1Å; L182-F294 HydrophobicContact CD2-CE1 4.36Å; L182-I297 HydrophobicContact CD2-CG2 3.6Å; L182-R298 HydrophobicContact CD1-CG 4.14Å; L182-L301 HydrophobicContact CD2-CD1 4.43Å; L182-L301 HydrophobicContact CG-CD1 4.45Å; L182-L301 HydrophobicContact CG-CD2 4.01Å | ||
| 183 | D | 94.4 | Very high | 96.5 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | trans | -68.9 | 123.3 | -178.8 | -178.6 | 15.4 | 0 | 0 | 0 | 111.1 | S181 S185 S186 | S181-D183 VanDerWaalsContact C-N 3.28Å; D183-S185 PolarHBondContact O-N 3.12Å; D183-S185 PolarHBondContact OD1-N 3.41Å; D183-S185 WeakPolarHBondContact OD2-CB 3.31Å; D183-S185 PolarHBondContact OD2-OG 2.96Å; D183-S186 WeakPolarHBondContact O-CB 3.49Å; D183-S186 PolarHBondContact O-N 3.38Å; D183-S186 PolarHBondContact O-OG 3.08Å | ||
| 184 | R | 93.9 | Very high | 96.5 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.9 | 175.5 | -106.2 | -171.3 | 176.6 | 100 | -0.9 | 113.6 | L182 S186 S190 Y193 E217 | L182-R184 PolarHBondContact O-N 3.39Å; R184-S186 VanDerWaalsContact C-N 3.29Å; R184-S190 WeakPolarHBondContact O-CB 3.25Å; R184-Y193 HydrophobicContact CB-CE2 4.48Å; R184-Y193 HydrophobicContact CG-CD2 3.54Å; R184-Y193 HydrophobicContact CG-CE2 3.27Å; R184-Y193 HydrophobicContact CG-CG 4.24Å; R184-Y193 VanDerWaalsContact NH2-CD1 3.34Å; R184-E217 IonicContact CZ-OE1 3.2Å; R184-E217 IonicContact CZ-OE2 3.71Å; R184-E217 IonicContact NH1-OE1 3.87Å; R184-E217 PolarHBondContact NH1-OE1 3.44Å; R184-E217 IonicContact NH1-OE2 2.69Å; R184-E217 PolarHBondContact NH1-OE2 3.45Å; R184-E217 IonicContact NH2-OE1 2.6Å; R184-E217 PolarHBondContact NH2-OE1 3.18Å; R184-E217 IonicContact NH2-OE2 3.83Å |
| 185 | S | 94.6 | Very high | 96.5 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 66% | 0.657 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.8 | -178.4 | 90.6 | 0 | 0 | 0 | 0 | 113.1 | D183 | D183-S185 PolarHBondContact O-N 3.12Å; D183-S185 PolarHBondContact OD1-N 3.41Å; D183-S185 WeakPolarHBondContact OD2-CB 3.31Å; D183-S185 PolarHBondContact OD2-OG 2.96Å |
| 186 | S | 95.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 60 Ų | 60 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -61.1 | 142 | 176 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | D183 R184 F188 L189 S190 | D183-S186 WeakPolarHBondContact O-CB 3.49Å; D183-S186 PolarHBondContact O-N 3.38Å; D183-S186 PolarHBondContact O-OG 3.08Å; R184-S186 VanDerWaalsContact C-N 3.29Å; S186-F188 VanDerWaalsContact C-N 3.3Å; S186-F188 PolarHBondContact O-N 3.43Å; S186-L189 PolarHBondContact O-N 3.48Å; S186-L189 WeakPolarHBondContact OG-CB 3.47Å; S186-L189 PolarHBondContact OG-N 3.26Å; S186-S190 WeakPolarHBondContact O-CB 3.47Å; S186-S190 PolarHBondContact O-N 2.98Å |
| 187 | A | 96.4 | Very high | 96.6 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 56% | 0.562 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -54.8 | -47.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E172 R191 | E172-A187 HydrophobicContact CG-CB 4.22Å; A187-R191 WeakPolarHBondContact O-CB 3.44Å; A187-R191 PolarHBondContact O-N 3.47Å; A187-R191 VanDerWaalsContact O-N 3.1Å |
| 188 | F | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -57.5 | 177.7 | 174.2 | -106.6 | 0 | 0 | 0 | 112.5 | E172 F173 W176 S186 R191 V192 F293 I297 V316 | E172-F188 HydrophobicContact CG-CB 4.23Å; F173-F188 HydrophobicContact CD2-CE2 4.29Å; W176-F188 HydrophobicContact CB-CB 3.71Å; W176-F188 HydrophobicContact CB-CD1 4.3Å; W176-F188 HydrophobicContact CB-CG 4.08Å; W176-F188 AromaticContact CD1-CD1 3.77Å; W176-F188 AromaticContact CD2-CD1 3.63Å; W176-F188 HydrophobicContact CD2-CD1 3.63Å; W176-F188 HydrophobicContact CD2-CE1 4Å; W176-F188 HydrophobicContact CD2-CG 4.24Å; W176-F188 AromaticContact CE2-CD1 3.81Å; W176-F188 HydrophobicContact CE3-CD1 4.21Å; W176-F188 HydrophobicContact CE3-CE1 4.21Å; W176-F188 HydrophobicContact CG-CB 3.86Å; W176-F188 AromaticContact CG-CD1 3.63Å; W176-F188 HydrophobicContact CG-CD1 3.63Å; W176-F188 HydrophobicContact CG-CE1 4.47Å; W176-F188 AromaticContact CG-CG 3.92Å; W176-F188 HydrophobicContact CG-CG 3.92Å; W176-F188 HydrophobicContact CZ2-CE1 4.35Å; W176-F188 HydrophobicContact CZ3-CE1 4.47Å; W176-F188 AromaticContact NE1-CD1 3.84Å; S186-F188 VanDerWaalsContact C-N 3.3Å; S186-F188 PolarHBondContact O-N 3.43Å; F188-R191 WeakPolarHBondContact O-CB 3.42Å; F188-R191 PolarHBondContact O-N 3.33Å; F188-V192 HydrophobicContact CE2-CG2 4.35Å; F188-V192 HydrophobicContact CZ-CG2 4.38Å; F188-V192 WeakPolarHBondContact O-CG2 3.4Å; F188-V192 PolarHBondContact O-N 3.28Å; F188-F293 HydrophobicContact CE1-CZ 4.3Å; F188-F293 HydrophobicContact CZ-CE2 4.46Å; F188-F293 HydrophobicContact CZ-CZ 4.36Å; F188-I297 HydrophobicContact CE1-CD1 3.95Å; F188-I297 HydrophobicContact CZ-CD1 4.2Å; F188-V316 HydrophobicContact CE2-CG1 3.92Å; F188-V316 HydrophobicContact CZ-CG1 3.71Å |
| 189 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.3 | -38.5 | -177.7 | -74.9 | 179.1 | 0 | 0 | 0 | 112.3 | S181 L182 S186 R191 V192 Y193 F293 | S181-L189 VanDerWaalsContact O-CD1 3.27Å; S181-L189 WeakPolarHBondContact O-CD1 3.42Å; L182-L189 VanDerWaalsContact C-CD1 3.41Å; S186-L189 PolarHBondContact O-N 3.48Å; S186-L189 WeakPolarHBondContact OG-CB 3.47Å; S186-L189 PolarHBondContact OG-N 3.26Å; L189-R191 PolarHBondContact O-N 2.84Å; L189-V192 PolarHBondContact O-N 2.93Å; L189-V192 VanDerWaalsContact O-N 3.11Å; L189-Y193 HydrophobicContact CB-CD2 4.18Å; L189-Y193 HydrophobicContact CB-CE2 4.24Å; L189-Y193 WeakPolarHBondContact O-CB 3.33Å; L189-Y193 WeakPolarHBondContact O-CD2 3.25Å; L189-Y193 PolarHBondContact O-N 2.95Å; L189-F293 HydrophobicContact CD2-CE1 3.93Å; L189-F293 HydrophobicContact CD2-CZ 3.93Å |
| 190 | S | 98.1 | Very high | 97 | Very high | 50 Ų | 50 | 45 Ų | 45 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -53.5 | -43.3 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | R184 S186 Y193 R194 | R184-S190 WeakPolarHBondContact O-CB 3.25Å; S186-S190 WeakPolarHBondContact O-CB 3.47Å; S186-S190 PolarHBondContact O-N 2.98Å; S190-Y193 PolarHBondContact O-N 3.27Å; S190-R194 WeakPolarHBondContact O-CB 3.48Å; S190-R194 PolarHBondContact O-N 2.97Å |
| 191 | R | 98.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -54.7 | 173.3 | -176.4 | -176.3 | -61.1 | -81.5 | 1.4 | 112.1 | E172 A187 F188 L189 Y193 R194 E195 | E172-R191 IonicContact OE1-CZ 2.74Å; E172-R191 IonicContact OE1-NE 3.49Å; E172-R191 PolarHBondContact OE1-NE 3.47Å; E172-R191 IonicContact OE1-NH2 3.02Å; E172-R191 PolarHBondContact OE1-NH2 2.94Å; E172-R191 WeakPolarHBondContact OE2-CD 3.31Å; E172-R191 IonicContact OE2-NE 3.37Å; E172-R191 PolarHBondContact OE2-NE 3.15Å; A187-R191 WeakPolarHBondContact O-CB 3.44Å; A187-R191 PolarHBondContact O-N 3.47Å; A187-R191 VanDerWaalsContact O-N 3.1Å; F188-R191 WeakPolarHBondContact O-CB 3.42Å; F188-R191 PolarHBondContact O-N 3.33Å; L189-R191 PolarHBondContact O-N 2.84Å; R191-Y193 PolarHBondContact O-N 3.23Å; R191-R194 PolarHBondContact O-N 3.48Å; R191-R194 VanDerWaalsContact O-N 3.12Å; R191-E195 VanDerWaalsContact CG-CD 3.41Å; R191-E195 HydrophobicContact CG-CG 4.43Å; R191-E195 VanDerWaalsContact CG-OE1 3.23Å; R191-E195 WeakPolarHBondContact CG-OE1 3.37Å; R191-E195 WeakPolarHBondContact CG-OE2 3.4Å; R191-E195 IonicContact NH1-OE1 3.84Å; R191-E195 PolarHBondContact NH1-OE1 3.3Å; R191-E195 WeakPolarHBondContact O-CB 3.5Å; R191-E195 PolarHBondContact O-N 2.94Å |
| 192 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -35.8 | -178.2 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | F188 L189 D196 I197 F293 M323 | F188-V192 HydrophobicContact CE2-CG2 4.35Å; F188-V192 HydrophobicContact CZ-CG2 4.38Å; F188-V192 WeakPolarHBondContact O-CG2 3.4Å; F188-V192 PolarHBondContact O-N 3.28Å; L189-V192 PolarHBondContact O-N 2.93Å; L189-V192 VanDerWaalsContact O-N 3.11Å; V192-D196 HydrophobicContact CG1-CB 4.23Å; V192-D196 WeakPolarHBondContact O-CA 3.39Å; V192-D196 WeakPolarHBondContact O-CB 3.28Å; V192-D196 PolarHBondContact O-N 3.47Å; V192-I197 HydrophobicContact CG1-CD1 3.84Å; V192-I197 HydrophobicContact CG1-CG1 4.03Å; V192-I197 PolarHBondContact O-N 3.14Å; V192-F293 HydrophobicContact CB-CZ 4.22Å; V192-F293 HydrophobicContact CG1-CD1 4.45Å; V192-F293 HydrophobicContact CG1-CE1 3.88Å; V192-F293 HydrophobicContact CG1-CE2 4.01Å; V192-F293 HydrophobicContact CG1-CZ 3.64Å; V192-F293 HydrophobicContact CG2-CE2 4.49Å; V192-F293 HydrophobicContact CG2-CZ 4.16Å; V192-M323 HydrophobicContact CG1-CE 3.86Å |
| 193 | Y | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -64.7 | -46.1 | 174.4 | -87.2 | -71.2 | 0 | 0 | 0 | 113.1 | R184 L189 S190 R191 I197 G198 F294 | R184-Y193 HydrophobicContact CB-CE2 4.48Å; R184-Y193 HydrophobicContact CG-CD2 3.54Å; R184-Y193 HydrophobicContact CG-CE2 3.27Å; R184-Y193 HydrophobicContact CG-CG 4.24Å; R184-Y193 VanDerWaalsContact NH2-CD1 3.34Å; L189-Y193 HydrophobicContact CB-CD2 4.18Å; L189-Y193 HydrophobicContact CB-CE2 4.24Å; L189-Y193 WeakPolarHBondContact O-CB 3.33Å; L189-Y193 WeakPolarHBondContact O-CD2 3.25Å; L189-Y193 PolarHBondContact O-N 2.95Å; S190-Y193 PolarHBondContact O-N 3.27Å; R191-Y193 PolarHBondContact O-N 3.23Å; Y193-I197 HydrophobicContact CD1-CB 3.78Å; Y193-I197 HydrophobicContact CD1-CD1 3.77Å; Y193-I197 HydrophobicContact CD1-CG1 4.38Å; Y193-I197 HydrophobicContact CD1-CG2 3.74Å; Y193-I197 HydrophobicContact CD2-CD1 4.31Å; Y193-I197 HydrophobicContact CE1-CB 4.2Å; Y193-I197 HydrophobicContact CE1-CD1 3.76Å; Y193-I197 HydrophobicContact CE1-CG2 3.76Å; Y193-I197 HydrophobicContact CE2-CD1 4.34Å; Y193-I197 HydrophobicContact CG-CD1 4.07Å; Y193-G198 WeakPolarHBondContact O-CA 3.31Å; Y193-G198 PolarHBondContact O-N 3.37Å; Y193-F294 AromaticContact CE1-CZ 3.98Å; Y193-F294 HydrophobicContact CE1-CZ 3.98Å; Y193-F294 HydrophobicContact CE2-CZ 4.43Å; Y193-F294 AromaticContact CZ-CZ 3.62Å; Y193-F294 WeakPolarHBondContact OH-CZ 3.14Å |
| 194 | R | 98.1 | Very high | 97.3 | Very high | 149 Ų | 149 | 44.4 Ų | 44.4 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | I | π-helix | trans | -67.9 | -43.1 | -178.6 | -176.7 | -179.5 | 63.5 | -127.8 | -5.2 | 111.9 | S190 R191 | S190-R194 WeakPolarHBondContact O-CB 3.48Å; S190-R194 PolarHBondContact O-N 2.97Å; R191-R194 PolarHBondContact O-N 3.48Å; R191-R194 VanDerWaalsContact O-N 3.12Å |
| 195 | E | 98.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -89.4 | -33.6 | -170.8 | -69.6 | 166.7 | -159.5 | 0 | 0 | 112.5 | R191 R320 K327 | R191-E195 VanDerWaalsContact CG-CD 3.41Å; R191-E195 HydrophobicContact CG-CG 4.43Å; R191-E195 VanDerWaalsContact CG-OE1 3.23Å; R191-E195 WeakPolarHBondContact CG-OE1 3.37Å; R191-E195 WeakPolarHBondContact CG-OE2 3.4Å; R191-E195 IonicContact NH1-OE1 3.84Å; R191-E195 PolarHBondContact NH1-OE1 3.3Å; R191-E195 WeakPolarHBondContact O-CB 3.5Å; R191-E195 PolarHBondContact O-N 2.94Å; E195-R320 IonicContact OE2-CZ 3.38Å; E195-R320 IonicContact OE2-NH2 2.93Å; E195-R320 PolarHBondContact OE2-NH2 3.31Å; E195-K327 PolarHBondContact O-NZ 3.3Å |
| 196 | D | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -122.7 | -63.3 | -167.7 | -55.5 | -54.2 | 0 | 0 | 0 | 113.1 | V192 P199 C200 R320 M323 T324 K327 | V192-D196 HydrophobicContact CG1-CB 4.23Å; V192-D196 WeakPolarHBondContact O-CA 3.39Å; V192-D196 WeakPolarHBondContact O-CB 3.28Å; V192-D196 PolarHBondContact O-N 3.47Å; D196-P199 WeakPolarHBondContact O-CD 3.3Å; D196-C200 VanDerWaalsContact O-CB 3.25Å; D196-C200 WeakPolarHBondContact O-CB 3.44Å; D196-C200 PolarHBondContact O-N 3.29Å; D196-C200 PolarHBondContact O-SG 2.94Å; D196-R320 IonicContact OD2-CZ 3.25Å; D196-R320 VanDerWaalsContact OD2-CZ 3.31Å; D196-R320 IonicContact OD2-NE 2.76Å; D196-R320 PolarHBondContact OD2-NE 2.79Å; D196-R320 IonicContact OD2-NH2 3.31Å; D196-R320 PolarHBondContact OD2-NH2 3.4Å; D196-M323 HydrophobicContact CB-CB 4.02Å; D196-M323 HydrophobicContact CB-CE 3.78Å; D196-M323 HydrophobicContact CB-SD 4.07Å; D196-T324 PolarHBondContact OD1-OG1 3.38Å; D196-K327 IonicContact OD1-NZ 3Å; D196-K327 PolarHBondContact OD1-NZ 3.44Å |
| 197 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -66.2 | -47.8 | -170.4 | -60.4 | 163.5 | 0 | 0 | 0 | 111.7 | V192 Y193 C200 L201 V290 F293 F294 M323 | V192-I197 HydrophobicContact CG1-CD1 3.84Å; V192-I197 HydrophobicContact CG1-CG1 4.03Å; V192-I197 PolarHBondContact O-N 3.14Å; Y193-I197 HydrophobicContact CD1-CB 3.78Å; Y193-I197 HydrophobicContact CD1-CD1 3.77Å; Y193-I197 HydrophobicContact CD1-CG1 4.38Å; Y193-I197 HydrophobicContact CD1-CG2 3.74Å; Y193-I197 HydrophobicContact CD2-CD1 4.31Å; Y193-I197 HydrophobicContact CE1-CB 4.2Å; Y193-I197 HydrophobicContact CE1-CD1 3.76Å; Y193-I197 HydrophobicContact CE1-CG2 3.76Å; Y193-I197 HydrophobicContact CE2-CD1 4.34Å; Y193-I197 HydrophobicContact CG-CD1 4.07Å; I197-C200 WeakPolarHBondContact O-CB 3.45Å; I197-C200 PolarHBondContact O-N 3.12Å; I197-L201 HydrophobicContact CG2-CD1 4.12Å; I197-L201 HydrophobicContact CG2-CG 4.49Å; I197-L201 PolarHBondContact O-N 2.84Å; I197-V290 HydrophobicContact CB-CG1 4.46Å; I197-V290 HydrophobicContact CG1-CG1 4.18Å; I197-V290 HydrophobicContact CG2-CG1 3.77Å; I197-F293 HydrophobicContact CD1-CD1 4.05Å; I197-F293 HydrophobicContact CD1-CE1 3.95Å; I197-F294 HydrophobicContact CD1-CE2 3.84Å; I197-F294 HydrophobicContact CD1-CZ 3.76Å; I197-F294 HydrophobicContact CG1-CE2 4.48Å; I197-F294 HydrophobicContact CG2-CE2 4.38Å; I197-M323 HydrophobicContact CG1-CE 4.43Å; I197-M323 HydrophobicContact CG1-SD 3.84Å |
| 198 | G | 97.9 | Very high | 97.2 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -53.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y193 C200 L201 S202 | Y193-G198 WeakPolarHBondContact O-CA 3.31Å; Y193-G198 PolarHBondContact O-N 3.37Å; G198-C200 VanDerWaalsContact C-N 3.32Å; G198-C200 PolarHBondContact O-N 3.19Å; G198-L201 PolarHBondContact O-N 3.17Å; G198-S202 WeakPolarHBondContact O-CB 3.44Å; G198-S202 PolarHBondContact O-N 3.19Å |
| 199 | P | 98.1 | Very high | 97.2 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 34% | 0.344 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 172.2 | -29.1 | 38.1 | 0 | 0 | 0 | 113.7 | D196 L201 R286 K327 | D196-P199 WeakPolarHBondContact O-CD 3.3Å; P199-L201 PolarHBondContact O-N 2.97Å; P199-R286 PolarHBondContact O-NH2 3.36Å; P199-K327 HydrophobicContact CB-CB 4.38Å; P199-K327 HydrophobicContact CB-CD 3.85Å |
| 200 | C | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 177.1 | -91.2 | 0 | 0 | 0 | 0 | 113.8 | D196 I197 G198 R286 V290 M323 | D196-C200 VanDerWaalsContact O-CB 3.25Å; D196-C200 WeakPolarHBondContact O-CB 3.44Å; D196-C200 PolarHBondContact O-N 3.29Å; D196-C200 PolarHBondContact O-SG 2.94Å; I197-C200 WeakPolarHBondContact O-CB 3.45Å; I197-C200 PolarHBondContact O-N 3.12Å; G198-C200 VanDerWaalsContact C-N 3.32Å; G198-C200 PolarHBondContact O-N 3.19Å; C200-R286 VanDerWaalsContact C-NH2 3.33Å; C200-R286 PolarHBondContact O-NE 3.05Å; C200-R286 PolarHBondContact O-NH2 3.16Å; C200-V290 HydrophobicContact CB-CG2 3.49Å; C200-V290 VanDerWaalsContact CB-CG2 3.49Å; C200-M323 PolarHBondContact SG-O 3.5Å |
| 201 | L | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -102.7 | 5.6 | -176.5 | -59.9 | -174.2 | 0 | 0 | 0 | 113.9 | I197 G198 P199 F203 S209 V212 Q213 I287 V290 | I197-L201 HydrophobicContact CG2-CD1 4.12Å; I197-L201 HydrophobicContact CG2-CG 4.49Å; I197-L201 PolarHBondContact O-N 2.84Å; G198-L201 PolarHBondContact O-N 3.17Å; P199-L201 PolarHBondContact O-N 2.97Å; L201-F203 HydrophobicContact CB-CE2 4.49Å; L201-F203 HydrophobicContact CD2-CE2 4.25Å; L201-F203 WeakPolarHBondContact O-CD2 3.2Å; L201-F203 PolarHBondContact O-N 3.13Å; L201-S209 VanDerWaalsContact O-CB 3.28Å; L201-S209 WeakPolarHBondContact O-CB 3.27Å; L201-V212 HydrophobicContact CD2-CG1 4.25Å; L201-Q213 HydrophobicContact CD1-CB 3.78Å; L201-Q213 HydrophobicContact CD1-CG 4.04Å; L201-I287 HydrophobicContact CD2-CG1 4.07Å; L201-V290 HydrophobicContact CD1-CG1 4.08Å; L201-V290 HydrophobicContact CD2-CB 4.42Å; L201-V290 HydrophobicContact CD2-CG2 4.09Å; L201-V290 HydrophobicContact CG-CG1 4.48Å; L201-V290 HydrophobicContact CG-CG2 4.1Å |
| 202 | S | 96.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 58% | 0.58 | 27% | 0.271 | S | S | * | . | trans | -78 | 102.5 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | G198 R286 | G198-S202 WeakPolarHBondContact O-CB 3.44Å; G198-S202 PolarHBondContact O-N 3.19Å; S202-R286 PolarHBondContact O-NH2 3.34Å | ||
| 203 | F | 96.8 | Very high | 96.8 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | trans | -113.7 | 163.8 | 174.6 | -51.3 | -82.4 | 0 | 0 | 0 | 111.9 | L201 R205 S209 L257 R286 I287 | L201-F203 HydrophobicContact CB-CE2 4.49Å; L201-F203 HydrophobicContact CD2-CE2 4.25Å; L201-F203 WeakPolarHBondContact O-CD2 3.2Å; L201-F203 PolarHBondContact O-N 3.13Å; F203-R205 CarbonylContact O-C 3.6Å; F203-R205 PolarHBondContact O-N 2.68Å; F203-S209 WeakPolarHBondContact CA-OG 3.46Å; F203-S209 VanDerWaalsContact CB-OG 3.27Å; F203-S209 WeakPolarHBondContact CB-OG 3.46Å; F203-S209 PolarHBondContact N-OG 2.87Å; F203-S209 VanDerWaalsContact N-OG 3.11Å; F203-S209 PolarHBondContact O-OG 3.46Å; F203-L257 HydrophobicContact CB-CB 3.92Å; F203-L257 HydrophobicContact CD1-CB 3.93Å; F203-L257 HydrophobicContact CD2-CB 4.17Å; F203-L257 HydrophobicContact CD2-CD1 4.2Å; F203-L257 HydrophobicContact CD2-CD2 3.84Å; F203-L257 HydrophobicContact CD2-CG 4.3Å; F203-L257 HydrophobicContact CE1-CB 4.49Å; F203-L257 HydrophobicContact CE1-CD1 4.35Å; F203-L257 HydrophobicContact CE2-CD1 3.99Å; F203-L257 HydrophobicContact CE2-CD2 4.3Å; F203-L257 HydrophobicContact CG-CB 3.75Å; F203-L257 HydrophobicContact CG-CD1 4.47Å; F203-L257 HydrophobicContact CG-CD2 4.25Å; F203-L257 HydrophobicContact CG-CG 4.38Å; F203-L257 HydrophobicContact CZ-CD1 4.07Å; F203-R286 HydrophobicContact CZ-CB 4.33Å; F203-I287 HydrophobicContact CE2-CG1 4.39Å; F203-I287 HydrophobicContact CZ-CD1 4.41Å; F203-I287 HydrophobicContact CZ-CG1 4.08Å | ||
| 204 | T | 96.2 | Very high | 96.6 | Very high | 118 Ų | 118 | 59.3 Ų | 59.3 | 72% | 0.724 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -52.6 | -39.2 | 179.9 | -48 | 0 | 0 | 0 | 0 | 112.5 | S206 L257 S258 | T204-S206 PolarHBondContact O-N 2.93Å; T204-L257 PolarHBondContact N-O 3.33Å; T204-S258 PolarHBondContact OG1-O 3.42Å |
| 205 | R | 93.3 | Very high | 96.6 | Very high | 114 Ų | 114 | 52.5 Ų | 52.5 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -86.7 | 93.5 | 171.4 | -61.1 | -155.9 | -174.1 | 147.7 | -14.7 | 110.6 | F203 E207 L208 S209 A256 L257 | F203-R205 CarbonylContact O-C 3.6Å; F203-R205 PolarHBondContact O-N 2.68Å; R205-E207 PolarHBondContact O-N 2.91Å; R205-L208 HydrophobicContact CB-CB 4.24Å; R205-L208 PolarHBondContact O-N 3.46Å; R205-S209 WeakPolarHBondContact O-CB 3.5Å; R205-S209 PolarHBondContact O-N 2.83Å; R205-S209 PolarHBondContact O-OG 2.94Å; R205-A256 WeakPolarHBondContact CD-O 3.43Å; R205-A256 PolarHBondContact NE-O 3.45Å; R205-A256 PolarHBondContact NH1-O 3.03Å; R205-L257 PolarHBondContact N-O 2.95Å; R205-L257 VanDerWaalsContact N-O 3.09Å |
| 206 | S | 96 | Very high | 96.5 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | -174.8 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | T204 L208 S209 Q210 | T204-S206 PolarHBondContact O-N 2.93Å; S206-L208 PolarHBondContact O-N 3.12Å; S206-S209 VanDerWaalsContact O-CB 3.29Å; S206-S209 WeakPolarHBondContact O-CB 3.38Å; S206-S209 PolarHBondContact O-N 3.07Å; S206-Q210 WeakPolarHBondContact O-CG 3.38Å; S206-Q210 PolarHBondContact O-N 3.38Å |
| 207 | E | 94.5 | Very high | 96.3 | Very high | 155 Ų | 155 | 51.4 Ų | 51.4 | 72% | 0.724 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61 | -48.2 | 178.7 | -65.3 | -178.2 | 174.6 | 0 | 0 | 111.9 | R205 S209 Q210 L211 | R205-E207 PolarHBondContact O-N 2.91Å; E207-S209 VanDerWaalsContact C-N 3.29Å; E207-S209 PolarHBondContact O-N 3.03Å; E207-Q210 PolarHBondContact O-N 2.84Å; E207-L211 WeakPolarHBondContact O-CG 3.21Å; E207-L211 PolarHBondContact O-N 2.69Å; E207-L211 VanDerWaalsContact O-N 3.12Å |
| 208 | L | 94.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 177.3 | -173.2 | 60.1 | 0 | 0 | 0 | 111.4 | R205 S206 Q210 L211 V212 A256 L257 L270 Y277 | R205-L208 HydrophobicContact CB-CB 4.24Å; R205-L208 PolarHBondContact O-N 3.46Å; S206-L208 PolarHBondContact O-N 3.12Å; L208-Q210 VanDerWaalsContact C-N 3.35Å; L208-Q210 PolarHBondContact O-N 3.25Å; L208-L211 HydrophobicContact CD1-CD1 4.41Å; L208-L211 PolarHBondContact O-N 2.69Å; L208-V212 WeakPolarHBondContact O-CG2 3.47Å; L208-V212 PolarHBondContact O-N 3.36Å; L208-A256 HydrophobicContact CD2-CB 4.06Å; L208-L257 HydrophobicContact CB-CD2 4.3Å; L208-L257 HydrophobicContact CD2-CD2 3.64Å; L208-L257 HydrophobicContact CD2-CG 4.27Å; L208-L257 HydrophobicContact CG-CD2 3.65Å; L208-L270 HydrophobicContact CD1-CD1 3.74Å; L208-Y277 HydrophobicContact CD1-CD1 4.26Å; L208-Y277 HydrophobicContact CD1-CD2 4.44Å; L208-Y277 HydrophobicContact CD1-CE1 4.06Å; L208-Y277 HydrophobicContact CD1-CE2 4.25Å; L208-Y277 HydrophobicContact CD1-CG 4.44Å; L208-Y277 HydrophobicContact CD2-CD1 4.01Å; L208-Y277 HydrophobicContact CD2-CE1 4.41Å; L208-Y277 HydrophobicContact CD2-CG 4.39Å |
| 209 | S | 96.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 173.6 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | L201 F203 R205 S206 E207 L211 V212 Q213 | L201-S209 VanDerWaalsContact O-CB 3.28Å; L201-S209 WeakPolarHBondContact O-CB 3.27Å; F203-S209 WeakPolarHBondContact CA-OG 3.46Å; F203-S209 VanDerWaalsContact CB-OG 3.27Å; F203-S209 WeakPolarHBondContact CB-OG 3.46Å; F203-S209 PolarHBondContact N-OG 2.87Å; F203-S209 VanDerWaalsContact N-OG 3.11Å; F203-S209 PolarHBondContact O-OG 3.46Å; R205-S209 WeakPolarHBondContact O-CB 3.5Å; R205-S209 PolarHBondContact O-N 2.83Å; R205-S209 PolarHBondContact O-OG 2.94Å; S206-S209 VanDerWaalsContact O-CB 3.29Å; S206-S209 WeakPolarHBondContact O-CB 3.38Å; S206-S209 PolarHBondContact O-N 3.07Å; E207-S209 VanDerWaalsContact C-N 3.29Å; E207-S209 PolarHBondContact O-N 3.03Å; S209-L211 VanDerWaalsContact C-N 3.34Å; S209-L211 PolarHBondContact O-N 3.35Å; S209-V212 PolarHBondContact O-N 2.88Å; S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 PolarHBondContact O-N 3.3Å |
| 210 | Q | 95.9 | Very high | 95.9 | Very high | 102 Ų | 102 | 61 Ų | 61 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.4 | -67.4 | 177.1 | 10.1 | 0 | 0 | 112.2 | S206 E207 L208 Q213 R214 | S206-Q210 WeakPolarHBondContact O-CG 3.38Å; S206-Q210 PolarHBondContact O-N 3.38Å; E207-Q210 PolarHBondContact O-N 2.84Å; L208-Q210 VanDerWaalsContact C-N 3.35Å; L208-Q210 PolarHBondContact O-N 3.25Å; Q210-Q213 PolarHBondContact O-N 3.35Å; Q210-R214 WeakPolarHBondContact O-CG 3.42Å; Q210-R214 PolarHBondContact O-N 2.69Å |
| 211 | L | 95.4 | Very high | 95.8 | Very high | 77 Ų | 77 | 62 Ų | 62 | 40% | 0.403 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 175.5 | -67.4 | 174.9 | 0 | 0 | 0 | 111.9 | E207 L208 S209 R214 A215 L270 | E207-L211 WeakPolarHBondContact O-CG 3.21Å; E207-L211 PolarHBondContact O-N 2.69Å; E207-L211 VanDerWaalsContact O-N 3.12Å; L208-L211 HydrophobicContact CD1-CD1 4.41Å; L208-L211 PolarHBondContact O-N 2.69Å; S209-L211 VanDerWaalsContact C-N 3.34Å; S209-L211 PolarHBondContact O-N 3.35Å; L211-R214 PolarHBondContact O-N 2.93Å; L211-A215 VanDerWaalsContact O-CB 3.32Å; L211-A215 WeakPolarHBondContact O-CB 3.38Å; L211-A215 PolarHBondContact O-N 3.25Å; L211-L270 HydrophobicContact CB-CD1 3.84Å |
| 212 | V | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 174.3 | 167.9 | 0 | 0 | 0 | 0 | 110.1 | L201 L208 S209 R214 A215 V216 L221 L257 I268 L270 I287 | L201-V212 HydrophobicContact CD2-CG1 4.25Å; L208-V212 WeakPolarHBondContact O-CG2 3.47Å; L208-V212 PolarHBondContact O-N 3.36Å; S209-V212 PolarHBondContact O-N 2.88Å; V212-R214 PolarHBondContact O-N 3.25Å; V212-A215 WeakPolarHBondContact O-CB 3.45Å; V212-A215 PolarHBondContact O-N 2.85Å; V212-A215 VanDerWaalsContact O-N 3.11Å; V212-V216 HydrophobicContact CG1-CG2 4.32Å; V212-V216 WeakPolarHBondContact O-CG2 3.4Å; V212-V216 PolarHBondContact O-N 3.35Å; V212-L221 HydrophobicContact CG1-CD1 3.88Å; V212-L257 HydrophobicContact CG2-CD2 3.92Å; V212-I268 HydrophobicContact CG2-CD1 3.81Å; V212-L270 HydrophobicContact CG2-CD1 4.17Å; V212-L270 HydrophobicContact CG2-CD2 4.06Å; V212-I287 HydrophobicContact CG1-CD1 4.04Å; V212-I287 HydrophobicContact CG1-CG1 4.03Å |
| 213 | Q | 96.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 179.9 | 178.6 | 172.4 | -35.8 | 0 | 0 | 112.7 | L201 S209 Q210 A215 V216 E217 | L201-Q213 HydrophobicContact CD1-CB 3.78Å; L201-Q213 HydrophobicContact CD1-CG 4.04Å; S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 PolarHBondContact O-N 3.3Å; Q210-Q213 PolarHBondContact O-N 3.35Å; Q213-A215 VanDerWaalsContact C-N 3.3Å; Q213-A215 PolarHBondContact O-N 2.87Å; Q213-V216 PolarHBondContact O-N 2.75Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.46Å; Q213-E217 WeakPolarHBondContact O-CG 3.32Å; Q213-E217 PolarHBondContact O-N 3.46Å |
| 214 | R | 95.5 | Very high | 95.4 | Very high | 129 Ų | 129 | 65.2 Ų | 65.2 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 174.3 | -69 | 176.8 | -165.4 | 132.9 | 7.2 | 112 | Q210 L211 V212 E217 N218 | Q210-R214 WeakPolarHBondContact O-CG 3.42Å; Q210-R214 PolarHBondContact O-N 2.69Å; L211-R214 PolarHBondContact O-N 2.93Å; V212-R214 PolarHBondContact O-N 3.25Å; R214-E217 PolarHBondContact O-N 3.2Å; R214-N218 WeakPolarHBondContact O-CB 3.29Å; R214-N218 VanDerWaalsContact O-CG 3.26Å; R214-N218 PolarHBondContact O-N 3.46Å; R214-N218 PolarHBondContact O-ND2 3.35Å |
| 215 | A | 96.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L211 V212 Q213 N219 S220 L221 L270 | L211-A215 VanDerWaalsContact O-CB 3.32Å; L211-A215 WeakPolarHBondContact O-CB 3.38Å; L211-A215 PolarHBondContact O-N 3.25Å; V212-A215 WeakPolarHBondContact O-CB 3.45Å; V212-A215 PolarHBondContact O-N 2.85Å; V212-A215 VanDerWaalsContact O-N 3.11Å; Q213-A215 VanDerWaalsContact C-N 3.3Å; Q213-A215 PolarHBondContact O-N 2.87Å; A215-N219 PolarHBondContact O-N 2.84Å; A215-N219 VanDerWaalsContact O-N 3.1Å; A215-S220 WeakPolarHBondContact CA-OG 3.48Å; A215-S220 PolarHBondContact O-N 3.17Å; A215-S220 PolarHBondContact O-OG 3.36Å; A215-L221 HydrophobicContact CB-CB 3.95Å; A215-L221 HydrophobicContact CB-CD1 4.48Å; A215-L221 PolarHBondContact O-N 3.14Å; A215-L270 HydrophobicContact CB-CB 4.37Å; A215-L270 HydrophobicContact CB-CD2 3.84Å |
| 216 | V | 96.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | V212 Q213 N218 N219 L221 I287 V290 F294 R298 | V212-V216 HydrophobicContact CG1-CG2 4.32Å; V212-V216 WeakPolarHBondContact O-CG2 3.4Å; V212-V216 PolarHBondContact O-N 3.35Å; Q213-V216 PolarHBondContact O-N 2.75Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.25Å; V216-N219 PolarHBondContact O-N 3.47Å; V216-N219 VanDerWaalsContact O-N 3.16Å; V216-L221 HydrophobicContact CG2-CB 4.4Å; V216-L221 HydrophobicContact CG2-CD1 3.84Å; V216-I287 HydrophobicContact CG2-CG2 4.36Å; V216-V290 HydrophobicContact CG1-CG1 3.91Å; V216-F294 HydrophobicContact CG1-CD2 3.61Å; V216-F294 HydrophobicContact CG1-CE2 4.04Å; V216-F294 HydrophobicContact CG1-CG 4.48Å; V216-R298 PolarHBondContact O-NH2 3.42Å |
| 217 | E | 94.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.7 | -75 | 163.1 | -150.6 | 0 | 0 | 112.6 | R184 Q213 R214 N219 F294 R298 | R184-E217 IonicContact CZ-OE1 3.2Å; R184-E217 IonicContact CZ-OE2 3.71Å; R184-E217 IonicContact NH1-OE1 3.87Å; R184-E217 PolarHBondContact NH1-OE1 3.44Å; R184-E217 IonicContact NH1-OE2 2.69Å; R184-E217 PolarHBondContact NH1-OE2 3.45Å; R184-E217 IonicContact NH2-OE1 2.6Å; R184-E217 PolarHBondContact NH2-OE1 3.18Å; R184-E217 IonicContact NH2-OE2 3.83Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.46Å; Q213-E217 WeakPolarHBondContact O-CG 3.32Å; Q213-E217 PolarHBondContact O-N 3.46Å; R214-E217 PolarHBondContact O-N 3.2Å; E217-N219 PolarHBondContact O-N 3.15Å; E217-F294 HydrophobicContact CG-CE1 4.42Å; E217-F294 HydrophobicContact CG-CE2 4.43Å; E217-F294 HydrophobicContact CG-CZ 3.99Å; E217-R298 PolarHBondContact O-NH2 2.99Å |
| 218 | N | 95.1 | Very high | 91.9 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 66% | 0.658 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.4 | 178.4 | -65.7 | -18 | 0 | 0 | 0 | 113.5 | R214 V216 S220 | R214-N218 WeakPolarHBondContact O-CB 3.29Å; R214-N218 VanDerWaalsContact O-CG 3.26Å; R214-N218 PolarHBondContact O-N 3.46Å; R214-N218 PolarHBondContact O-ND2 3.35Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.25Å; N218-S220 VanDerWaalsContact C-N 3.27Å; N218-S220 PolarHBondContact O-N 2.89Å |
| 219 | N | 96 | Very high | 90 | Very high | 111 Ų | 111 | 64.7 Ų | 64.7 | 59% | 0.594 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 40.7 | -177.6 | -160.1 | 43.5 | 0 | 0 | 0 | 113.7 | A215 V216 E217 R298 | A215-N219 PolarHBondContact O-N 2.84Å; A215-N219 VanDerWaalsContact O-N 3.1Å; V216-N219 PolarHBondContact O-N 3.47Å; V216-N219 VanDerWaalsContact O-N 3.16Å; E217-N219 PolarHBondContact O-N 3.15Å; N219-R298 PolarHBondContact OD1-NH1 2.83Å |
| 220 | S | 95.6 | Very high | 87.6 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | trans | -120 | 8.3 | -175.4 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | A215 N218 G271 | A215-S220 WeakPolarHBondContact CA-OG 3.48Å; A215-S220 PolarHBondContact O-N 3.17Å; A215-S220 PolarHBondContact O-OG 3.36Å; N218-S220 VanDerWaalsContact C-N 3.27Å; N218-S220 PolarHBondContact O-N 2.89Å; S220-G271 WeakPolarHBondContact O-CA 3.41Å; S220-G271 PolarHBondContact O-N 3.24Å | ||
| 221 | L | 95.8 | Very high | 85.5 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.12 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.1 | 175.1 | -175.6 | 148.2 | 0 | 0 | 0 | 109.8 | V212 A215 V216 I223 K269 L270 I287 | V212-L221 HydrophobicContact CG1-CD1 3.88Å; A215-L221 HydrophobicContact CB-CB 3.95Å; A215-L221 HydrophobicContact CB-CD1 4.48Å; A215-L221 PolarHBondContact O-N 3.14Å; V216-L221 HydrophobicContact CG2-CB 4.4Å; V216-L221 HydrophobicContact CG2-CD1 3.84Å; L221-I223 HydrophobicContact CD2-CD1 4.11Å; L221-I223 HydrophobicContact CD2-CG1 3.53Å; L221-K269 WeakPolarHBondContact CA-O 3.36Å; L221-L270 HydrophobicContact CD1-CD2 3.61Å; L221-L270 HydrophobicContact CG-CD2 4.02Å; L221-I287 HydrophobicContact CD1-CG2 3.99Å; L221-I287 HydrophobicContact CD2-CG2 3.95Å |
| 222 | T | 94.7 | Very high | 83.1 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.5 | 168.4 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | I268 K269 | T222-I268 VanDerWaalsContact O-CA 3.24Å; T222-I268 WeakPolarHBondContact O-CA 3.42Å; T222-K269 PolarHBondContact N-O 3.1Å; T222-K269 PolarHBondContact O-N 2.9Å; T222-K269 WeakPolarHBondContact OG1-CB 3.45Å |
| 223 | I | 94.9 | Very high | 80.6 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 26% | 0.256 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.3 | 175.4 | -49.4 | -177.7 | 0 | 0 | 0 | 107.1 | L221 H266 I268 R284 I287 | L221-I223 HydrophobicContact CD2-CD1 4.11Å; L221-I223 HydrophobicContact CD2-CG1 3.53Å; I223-H266 HydrophobicContact CG2-CB 4.28Å; I223-I268 HydrophobicContact CB-CG2 4.5Å; I223-I268 HydrophobicContact CG1-CG2 4.03Å; I223-I268 HydrophobicContact CG2-CG2 4.38Å; I223-R284 HydrophobicContact CG2-CG 4.48Å; I223-I287 HydrophobicContact CD1-CG2 4.12Å |
| 224 | E | 92.5 | Very high | 78 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.3 | -179 | -66.3 | 173.4 | -164.4 | 0 | 0 | 110.1 | H266 R267 Y276 | E224-H266 WeakPolarHBondContact O-CA 3.47Å; E224-R267 HydrophobicContact CB-CG 4.06Å; E224-R267 PolarHBondContact N-O 3.18Å; E224-R267 PolarHBondContact O-N 2.95Å; E224-R267 IonicContact OE2-CZ 2.96Å; E224-R267 VanDerWaalsContact OE2-CZ 3.31Å; E224-R267 IonicContact OE2-NE 2.98Å; E224-R267 PolarHBondContact OE2-NE 3.36Å; E224-R267 IonicContact OE2-NH2 3.06Å; E224-R267 PolarHBondContact OE2-NH2 2.71Å; E224-Y276 PolarHBondContact OE1-OH 3.16Å; E224-Y276 VanDerWaalsContact OE2-CE1 3.25Å; E224-Y276 WeakPolarHBondContact OE2-CE1 3.45Å |
| 225 | P | 91.9 | Very high | 75.4 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 66% | 0.656 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 148.9 | 167.8 | 30.9 | -33.8 | 0 | 0 | 0 | 110.2 | Q265 | P225-Q265 CarbonylContact C-O 3.56Å |
| 226 | V | 85.6 | Confident | 72.5 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 11% | 0.109 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -103 | 117.8 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | M228 L231 Q265 R267 Y278 | V226-M228 PolarHBondContact O-N 3.37Å; V226-L231 HydrophobicContact CG1-CD2 3.97Å; V226-L231 HydrophobicContact CG1-CG 4.35Å; V226-Q265 PolarHBondContact N-O 3.47Å; V226-R267 HydrophobicContact CG2-CB 4.05Å; V226-R267 HydrophobicContact CG2-CG 3.98Å; V226-Y278 HydrophobicContact CB-CE1 4.49Å; V226-Y278 HydrophobicContact CG1-CE1 4.03Å; V226-Y278 HydrophobicContact CG2-CD1 4.07Å; V226-Y278 HydrophobicContact CG2-CE1 3.72Å |
| 227 | A | 72.1 | Confident | 69.7 | Low | 58 Ų | 58 | 85.9 Ų | 85.9 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 137.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S229 A230 | A227-S229 PolarHBondContact O-N 3.36Å; A227-A230 HydrophobicContact CB-CB 4.26Å; A227-A230 PolarHBondContact O-N 2.92Å |
| 228 | M | 58.4 | Low | 66.8 | Low | 174 Ų | 174 | 88.2 Ų | 88.2 | 86% | 0.857 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.7 | -178.3 | -70.9 | -168.9 | -82.7 | 0 | 0 | 113.7 | V226 | V226-M228 PolarHBondContact O-N 3.37Š|
| 229 | S | 52.3 | Low | 64.2 | Low | 119 Ų | 119 | 90.1 Ų | 90.1 | 83% | 0.832 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -9.3 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | A227 | A227-S229 PolarHBondContact O-N 3.36Š|
| 230 | A | 47.9 | Very low | 61.4 | Low | 59 Ų | 59 | 93.4 Ų | 93.4 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | trans | -110.3 | 14 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | A227 P232 | A227-A230 HydrophobicContact CB-CB 4.26Å; A227-A230 PolarHBondContact O-N 2.92Å; A230-P232 WeakPolarHBondContact O-CD 3.36Å | ||
| 231 | L | 51.2 | Low | 58.5 | Low | 45 Ų | 45 | 97.1 Ų | 97.1 | 24% | 0.236 | 58% | 0.582 | C | S | . | * | trans | -69.5 | 118.8 | 173.6 | -72.5 | 162.5 | 0 | 0 | 0 | 108.5 | V226 V233 V251 T253 | V226-L231 HydrophobicContact CG1-CD2 3.97Å; V226-L231 HydrophobicContact CG1-CG 4.35Å; L231-V233 PolarHBondContact O-N 3.36Å; L231-V251 HydrophobicContact CB-CB 4.34Å; L231-V251 HydrophobicContact CB-CG2 4.34Å; L231-V251 HydrophobicContact CD1-CB 4.03Å; L231-V251 HydrophobicContact CD1-CG2 4.29Å; L231-T253 HydrophobicContact CD2-CG2 4.08Å | ||
| 232 | P | 44.8 | Very low | 55.5 | Low | 54 Ų | 54 | 100 Ų | 100 | 35% | 0.351 | 62% | 0.617 | S | S | . | * | trans | -68.3 | 133.2 | -173.6 | 28.4 | -33.5 | 0 | 0 | 0 | 108.7 | A230 V234 Y278 | A230-P232 WeakPolarHBondContact O-CD 3.36Å; P232-V234 HydrophobicContact CB-CG2 3.68Å; P232-V234 HydrophobicContact CG-CG2 3.81Å; P232-V234 PolarHBondContact O-N 3.02Å; P232-Y278 WeakPolarHBondContact CD-OH 3.17Å; P232-Y278 HydrophobicContact CG-CE2 4.23Å | ||
| 233 | V | 45.2 | Very low | 52.6 | Low | 152 Ų | 152 | 99.5 Ų | 99.5 | 92% | 0.921 | 63% | 0.626 | S | S | * | * | trans | -68.1 | 63.5 | 165.7 | -173.7 | 0 | 0 | 0 | 0 | 107.7 | L231 | L231-V233 PolarHBondContact O-N 3.36Š| ||
| 234 | V | 41.3 | Very low | 49.9 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 66% | 0.655 | 66% | 0.656 | S | S | * | * | trans | -81.4 | 123.2 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 105.5 | P232 A236 | P232-V234 HydrophobicContact CB-CG2 3.68Å; P232-V234 HydrophobicContact CG-CG2 3.81Å; P232-V234 PolarHBondContact O-N 3.02Å; V234-A236 PolarHBondContact O-N 3.28Å | ||
| 235 | K | 40.7 | Very low | 47.2 | Very low | 212 Ų | 212 | 107.7 Ų | 107.7 | 92% | 0.922 | 68% | 0.679 | S | S | * | * | trans | -53.2 | 83.1 | 171.3 | -67.8 | 176.4 | 176.9 | 176 | 0 | 110.2 | ||||
| 236 | A | 35.5 | Very low | 44.7 | Very low | 72 Ų | 72 | 107.1 Ų | 107.1 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | trans | -113.5 | 93.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | V234 A238 | V234-A236 PolarHBondContact O-N 3.28Å; A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.85Å | ||
| 237 | S | 36.7 | Very low | 42.3 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | 17.2 | 71.3 | 166.9 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | L239 | S237-L239 PolarHBondContact O-N 3.49Š| ||
| 238 | A | 35.7 | Very low | 40.9 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -67.6 | 93.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | A236 E240 | A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.85Å; A238-E240 VanDerWaalsContact C-N 3.34Å; A238-E240 PolarHBondContact O-N 3.38Å; A238-E240 VanDerWaalsContact O-N 3.11Å | ||
| 239 | L | 38.7 | Very low | 40.2 | Very low | 163 Ų | 163 | 120.5 Ų | 120.5 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | -65.4 | 107.6 | 158 | -166.9 | 72.4 | 0 | 0 | 0 | 104.5 | S237 C241 | S237-L239 PolarHBondContact O-N 3.49Å; L239-C241 PolarHBondContact O-N 2.91Å; L239-C241 VanDerWaalsContact O-N 3.12Å | ||
| 240 | E | 38.2 | Very low | 40.2 | Very low | 180 Ų | 180 | 118.4 Ų | 118.4 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | trans | -52.6 | 113.5 | -177.9 | -65.9 | -177.7 | 142.5 | 0 | 0 | 110.5 | A238 | A238-E240 VanDerWaalsContact C-N 3.34Å; A238-E240 PolarHBondContact O-N 3.38Å; A238-E240 VanDerWaalsContact O-N 3.11Å | ||
| 241 | C | 35.3 | Very low | 40.6 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | trans | -127.1 | 64.5 | 156.9 | -72.1 | 0 | 0 | 0 | 0 | 107.6 | L239 G243 | L239-C241 PolarHBondContact O-N 2.91Å; L239-C241 VanDerWaalsContact O-N 3.12Å; C241-G243 PolarHBondContact O-N 2.76Å | ||
| 242 | G | 32 | Very low | 41.2 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -75.1 | 97.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 243 | G | 33.1 | Very low | 42.8 | Very low | 56 Ų | 56 | 121.1 Ų | 121.1 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | trans | -89 | 155.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C241 N245 | C241-G243 PolarHBondContact O-N 2.76Å; G243-N245 PolarHBondContact O-N 2.98Å | ||
| 244 | P | 38.4 | Very low | 44.9 | Very low | 136 Ų | 136 | 120 Ų | 120 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -72 | 9.3 | -166.8 | -15 | 29.9 | 0 | 0 | 0 | 116.8 | ||
| 245 | N | 35.6 | Very low | 47.4 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -114.1 | 110.6 | -175.9 | -63.3 | -11.8 | 0 | 0 | 0 | 108.5 | G243 F247 | G243-N245 PolarHBondContact O-N 2.98Å; N245-F247 PolarHBondContact O-N 3.46Å |
| 246 | G | 41.1 | Very low | 49.9 | Very low | 89 Ų | 89 | 105.3 Ų | 105.3 | 92% | 0.918 | 64% | 0.643 | S | S | * | * | trans | -61 | 47 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | R248 | G246-R248 PolarHBondContact O-N 2.99Š| ||
| 247 | F | 34.8 | Very low | 52.8 | Low | 199 Ų | 199 | 101.9 Ų | 101.9 | 87% | 0.873 | 61% | 0.614 | S | S | * | * | trans | -73.9 | 109.6 | 163.4 | -120 | -99.5 | 0 | 0 | 0 | 108.2 | N245 A249 | N245-F247 PolarHBondContact O-N 3.46Å; F247-A249 PolarHBondContact O-N 3.02Å | ||
| 248 | R | 42.2 | Very low | 55.4 | Low | 245 Ų | 245 | 97.3 Ų | 97.3 | 93% | 0.925 | 58% | 0.582 | S | S | * | * | trans | -63.5 | 102.4 | 165.8 | -79.2 | -171.9 | -173 | -170.5 | 3.4 | 107.4 | G246 S250 | G246-R248 PolarHBondContact O-N 2.99Å; R248-S250 PolarHBondContact O-N 3.19Å | ||
| 249 | A | 43.8 | Very low | 58 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 71% | 0.711 | 56% | 0.558 | S | S | * | * | trans | -54.7 | 131.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | F247 V251 | F247-A249 PolarHBondContact O-N 3.02Å; A249-V251 PolarHBondContact O-N 3.31Å | ||
| 250 | S | 52.7 | Low | 60.4 | Low | 75 Ų | 75 | 91.1 Ų | 91.1 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | trans | -55.8 | 122.4 | 172.5 | 53.7 | 0 | 0 | 0 | 0 | 108.9 | R248 E252 | R248-S250 PolarHBondContact O-N 3.19Å; S250-E252 PolarHBondContact O-N 3.01Å | ||
| 251 | V | 56.4 | Low | 62.7 | Low | 74 Ų | 74 | 85.6 Ų | 85.6 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | trans | -63.2 | 107.5 | 179.7 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | L231 A249 T253 | L231-V251 HydrophobicContact CB-CB 4.34Å; L231-V251 HydrophobicContact CB-CG2 4.34Å; L231-V251 HydrophobicContact CD1-CB 4.03Å; L231-V251 HydrophobicContact CD1-CG2 4.29Å; A249-V251 PolarHBondContact O-N 3.31Å; V251-T253 HydrophobicContact CG1-CG2 4.45Å; V251-T253 PolarHBondContact O-N 3.32Å | ||
| 252 | E | 62.5 | Low | 65 | Low | 123 Ų | 123 | 86.8 Ų | 86.8 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | trans | -66.9 | 123.7 | 170.5 | -70.2 | -169 | 169.5 | 0 | 0 | 108.7 | S250 | S250-E252 PolarHBondContact O-N 3.01Š| ||
| 253 | T | 78.8 | Confident | 67.6 | Low | 18 Ų | 18 | 85.4 Ų | 85.4 | 11% | 0.11 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.5 | 178.6 | 39 | 0 | 0 | 0 | 0 | 108.8 | L231 V251 C255 R262 C264 | L231-T253 HydrophobicContact CD2-CG2 4.08Å; V251-T253 HydrophobicContact CG1-CG2 4.45Å; V251-T253 PolarHBondContact O-N 3.32Å; T253-C255 PolarHBondContact O-N 3.47Å; T253-R262 CarbonylContact C-O 3.59Å; T253-R262 PolarHBondContact N-O 3.37Å; T253-R262 PolarHBondContact O-N 2.81Å; T253-R262 VanDerWaalsContact O-N 3.09Å; T253-R262 PolarHBondContact OG1-O 2.94Å; T253-C264 PolarHBondContact O-SG 3.31Å; T253-C264 WeakPolarHBondContact OG1-CB 3.29Å; T253-C264 PolarHBondContact OG1-N 3.5Å; T253-C264 VanDerWaalsContact OG1-N 3.13Å; T253-C264 PolarHBondContact OG1-SG 3.38Å |
| 254 | K | 89.3 | Confident | 70.3 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 117.1 | 176.6 | -167.9 | 174.4 | -172.5 | 171.5 | 0 | 108.9 | A256 G259 | K254-A256 PolarHBondContact O-N 3.45Å; K254-G259 WeakPolarHBondContact CE-O 3.34Å; K254-G259 WeakPolarHBondContact CG-O 3.45Å |
| 255 | C | 93.6 | Very high | 72.8 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 44% | 0.44 | C | S | . | . | trans | -58.5 | 125.5 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | T253 L257 S258 G259 L260 S280 S283 | T253-C255 PolarHBondContact O-N 3.47Å; C255-L257 PolarHBondContact O-N 2.95Å; C255-S258 VanDerWaalsContact CB-OG 3.3Å; C255-S258 WeakPolarHBondContact CB-OG 3.36Å; C255-S258 PolarHBondContact SG-OG 3.32Å; C255-G259 WeakPolarHBondContact O-CA 3.45Å; C255-G259 PolarHBondContact O-N 2.99Å; C255-L260 WeakPolarHBondContact CB-O 3.44Å; C255-L260 PolarHBondContact N-O 3.38Å; C255-S280 PolarHBondContact SG-N 2.95Å; C255-S283 PolarHBondContact SG-OG 3.04Å; C255-S283 VanDerWaalsContact SG-OG 3.4Å | ||
| 256 | A | 94.3 | Very high | 75.5 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 8% | 0.083 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R205 L208 K254 Y277 Y278 | R205-A256 WeakPolarHBondContact CD-O 3.43Å; R205-A256 PolarHBondContact NE-O 3.45Å; R205-A256 PolarHBondContact NH1-O 3.03Å; L208-A256 HydrophobicContact CD2-CB 4.06Å; K254-A256 PolarHBondContact O-N 3.45Å; A256-Y277 HydrophobicContact CB-CD1 4.18Å; A256-Y277 HydrophobicContact CB-CG 4.47Å; A256-Y278 VanDerWaalsContact CB-O 3.31Å; A256-Y278 WeakPolarHBondContact CB-O 3.4Å; A256-Y278 PolarHBondContact N-O 2.86Å |
| 257 | L | 94.9 | Very high | 78 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -49.8 | -176.3 | -67.7 | 166.6 | 0 | 0 | 0 | 112.5 | F203 T204 R205 L208 V212 C255 I268 I279 I287 | F203-L257 HydrophobicContact CB-CB 3.92Å; F203-L257 HydrophobicContact CD1-CB 3.93Å; F203-L257 HydrophobicContact CD2-CB 4.17Å; F203-L257 HydrophobicContact CD2-CD1 4.2Å; F203-L257 HydrophobicContact CD2-CD2 3.84Å; F203-L257 HydrophobicContact CD2-CG 4.3Å; F203-L257 HydrophobicContact CE1-CB 4.49Å; F203-L257 HydrophobicContact CE1-CD1 4.35Å; F203-L257 HydrophobicContact CE2-CD1 3.99Å; F203-L257 HydrophobicContact CE2-CD2 4.3Å; F203-L257 HydrophobicContact CG-CB 3.75Å; F203-L257 HydrophobicContact CG-CD1 4.47Å; F203-L257 HydrophobicContact CG-CD2 4.25Å; F203-L257 HydrophobicContact CG-CG 4.38Å; F203-L257 HydrophobicContact CZ-CD1 4.07Å; T204-L257 PolarHBondContact N-O 3.33Å; R205-L257 PolarHBondContact N-O 2.95Å; R205-L257 VanDerWaalsContact N-O 3.09Å; L208-L257 HydrophobicContact CB-CD2 4.3Å; L208-L257 HydrophobicContact CD2-CD2 3.64Å; L208-L257 HydrophobicContact CD2-CG 4.27Å; L208-L257 HydrophobicContact CG-CD2 3.65Å; V212-L257 HydrophobicContact CG2-CD2 3.92Å; C255-L257 PolarHBondContact O-N 2.95Å; L257-I268 HydrophobicContact CD1-CD1 4.37Å; L257-I279 HydrophobicContact CD1-CB 4.47Å; L257-I279 HydrophobicContact CD1-CG2 3.59Å; L257-I279 HydrophobicContact CG-CG2 4.14Å; L257-I287 HydrophobicContact CD1-CD1 3.63Å |
| 258 | S | 92.3 | Very high | 80.9 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -20.8 | -179.3 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | T204 C255 L260 | T204-S258 PolarHBondContact OG1-O 3.42Å; C255-S258 VanDerWaalsContact CB-OG 3.3Å; C255-S258 WeakPolarHBondContact CB-OG 3.36Å; C255-S258 PolarHBondContact SG-OG 3.32Å; S258-L260 PolarHBondContact O-N 2.68Å; S258-L260 PolarHBondContact OG-N 3.42Å |
| 259 | G | 89.5 | Confident | 83.4 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 24% | 0.237 | 30% | 0.304 | C | S | . | . | trans | 73.5 | 4.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K254 C255 | K254-G259 WeakPolarHBondContact CE-O 3.34Å; K254-G259 WeakPolarHBondContact CG-O 3.45Å; C255-G259 WeakPolarHBondContact O-CA 3.45Å; C255-G259 PolarHBondContact O-N 2.99Å | ||
| 260 | L | 88.9 | Confident | 85.6 | Confident | 101 Ų | 101 | 53.2 Ų | 53.2 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | trans | -85.6 | 140.4 | 179.2 | -58.9 | 176.3 | 0 | 0 | 0 | 111.2 | C255 S258 R262 | C255-L260 WeakPolarHBondContact CB-O 3.44Å; C255-L260 PolarHBondContact N-O 3.38Å; S258-L260 PolarHBondContact O-N 2.68Å; S258-L260 PolarHBondContact OG-N 3.42Å; L260-R262 PolarHBondContact O-N 3.42Å | ||
| 261 | S | 87.4 | Confident | 87.1 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 118.7 | 171.3 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 262 | R | 83.8 | Confident | 87.9 | Confident | 147 Ų | 147 | 54.5 Ų | 54.5 | 56% | 0.555 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 165.4 | 178.9 | -68 | -61.7 | -177.4 | -144.7 | 5.6 | 109.1 | T253 L260 C264 | T253-R262 CarbonylContact C-O 3.59Å; T253-R262 PolarHBondContact N-O 3.37Å; T253-R262 PolarHBondContact O-N 2.81Å; T253-R262 VanDerWaalsContact O-N 3.09Å; T253-R262 PolarHBondContact OG1-O 2.94Å; L260-R262 PolarHBondContact O-N 3.42Å; R262-C264 PolarHBondContact O-N 3.3Å |
| 263 | V | 86.6 | Confident | 88 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 33% | 0.327 | 29% | 0.29 | S | S | . | . | trans | -73.4 | 100.6 | 169.6 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | Q265 | V263-Q265 HydrophobicContact CG1-CG 4.07Š| ||
| 264 | C | 89.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | trans | -93.4 | 97 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 110 | T253 R262 H266 I279 | T253-C264 PolarHBondContact O-SG 3.31Å; T253-C264 WeakPolarHBondContact OG1-CB 3.29Å; T253-C264 PolarHBondContact OG1-N 3.5Å; T253-C264 VanDerWaalsContact OG1-N 3.13Å; T253-C264 PolarHBondContact OG1-SG 3.38Å; R262-C264 PolarHBondContact O-N 3.3Å; C264-H266 PolarHBondContact O-N 3.01Å; C264-I279 WeakPolarHBondContact CB-O 3.33Å; C264-I279 VanDerWaalsContact SG-C 3.53Å | ||
| 265 | Q | 90.8 | Very high | 87 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | trans | -82.9 | 0.8 | 176.1 | -65.1 | 172.7 | -25.6 | 0 | 0 | 113.2 | P225 V226 V263 | P225-Q265 CarbonylContact C-O 3.56Å; V226-Q265 PolarHBondContact N-O 3.47Å; V263-Q265 HydrophobicContact CG1-CG 4.07Å | ||
| 266 | H | 92.6 | Very high | 86.9 | Confident | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.111 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.7 | -177 | -68.4 | 81.5 | 0 | 0 | 0 | 110.8 | I223 E224 C264 I279 R284 | I223-H266 HydrophobicContact CG2-CB 4.28Å; E224-H266 WeakPolarHBondContact O-CA 3.47Å; C264-H266 PolarHBondContact O-N 3.01Å; H266-I279 HydrophobicContact CB-CG1 4.18Å; H266-I279 PolarHBondContact O-N 3.42Å; H266-R284 VanDerWaalsContact CE1-CZ 3.45Å; H266-R284 VanDerWaalsContact NE2-CZ 3.29Å; H266-R284 PolarHBondContact NE2-NE 2.99Å; H266-R284 PolarHBondContact NE2-NH2 3.03Å |
| 267 | R | 93.4 | Very high | 86.8 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 26% | 0.26 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.7 | 173.2 | 65.6 | -176.6 | -171.3 | -177.3 | 2.2 | 110.4 | E224 V226 Y276 Y277 Y278 | E224-R267 HydrophobicContact CB-CG 4.06Å; E224-R267 PolarHBondContact N-O 3.18Å; E224-R267 PolarHBondContact O-N 2.95Å; E224-R267 IonicContact OE2-CZ 2.96Å; E224-R267 VanDerWaalsContact OE2-CZ 3.31Å; E224-R267 IonicContact OE2-NE 2.98Å; E224-R267 PolarHBondContact OE2-NE 3.36Å; E224-R267 IonicContact OE2-NH2 3.06Å; E224-R267 PolarHBondContact OE2-NH2 2.71Å; V226-R267 HydrophobicContact CG2-CB 4.05Å; V226-R267 HydrophobicContact CG2-CG 3.98Å; R267-Y276 HydrophobicContact CB-CD1 4.44Å; R267-Y276 VanDerWaalsContact CD-CD1 3.45Å; R267-Y276 HydrophobicContact CG-CD1 3.8Å; R267-Y276 HydrophobicContact CG-CE1 4.42Å; R267-Y277 CarbonylContact C-O 3.02Å; R267-Y277 VanDerWaalsContact CA-O 3.23Å; R267-Y277 WeakPolarHBondContact CA-O 3.3Å; R267-Y278 HydrophobicContact CB-CD1 4.4Å |
| 268 | I | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148 | 175.8 | 63.3 | 177.4 | 0 | 0 | 0 | 111.2 | V212 T222 I223 L257 L270 Y276 Y277 I279 I287 | V212-I268 HydrophobicContact CG2-CD1 3.81Å; T222-I268 VanDerWaalsContact O-CA 3.24Å; T222-I268 WeakPolarHBondContact O-CA 3.42Å; I223-I268 HydrophobicContact CB-CG2 4.5Å; I223-I268 HydrophobicContact CG1-CG2 4.03Å; I223-I268 HydrophobicContact CG2-CG2 4.38Å; L257-I268 HydrophobicContact CD1-CD1 4.37Å; I268-L270 HydrophobicContact CD1-CD2 4.18Å; I268-Y276 WeakPolarHBondContact O-CA 3.36Å; I268-Y277 HydrophobicContact CG1-CD2 4.36Å; I268-Y277 PolarHBondContact N-O 3.5Å; I268-Y277 PolarHBondContact O-N 2.79Å; I268-I279 HydrophobicContact CD1-CG2 3.93Å; I268-I279 HydrophobicContact CG1-CG2 4.02Å; I268-I279 HydrophobicContact CG2-CD1 3.43Å; I268-I279 VanDerWaalsContact CG2-CD1 3.43Å; I268-I279 HydrophobicContact CG2-CG1 4Å; I268-I279 HydrophobicContact CG2-CG2 4.29Å; I268-I287 HydrophobicContact CD1-CD1 4.24Å |
| 269 | K | 94.1 | Very high | 86.8 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.2 | 169.7 | -171 | -171.9 | 176.5 | -169.9 | 0 | 108.5 | L221 T222 G271 Y276 | L221-K269 WeakPolarHBondContact CA-O 3.36Å; T222-K269 PolarHBondContact N-O 3.1Å; T222-K269 PolarHBondContact O-N 2.9Å; T222-K269 WeakPolarHBondContact OG1-CB 3.45Å; K269-G271 VanDerWaalsContact CE-O 3.25Å; K269-G271 WeakPolarHBondContact CE-O 3.43Å; K269-Y276 HydrophobicContact CB-CD1 4.21Å; K269-Y276 HydrophobicContact CB-CE1 4.03Å; K269-Y276 HydrophobicContact CD-CE1 4.36Å; K269-Y276 HydrophobicContact CG-CE1 4.44Å |
| 270 | L | 92.1 | Very high | 87 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 99.2 | -178 | -54.2 | -178 | 0 | 0 | 0 | 109.3 | L208 L211 V212 A215 L221 I268 Y277 | L208-L270 HydrophobicContact CD1-CD1 3.74Å; L211-L270 HydrophobicContact CB-CD1 3.84Å; V212-L270 HydrophobicContact CG2-CD1 4.17Å; V212-L270 HydrophobicContact CG2-CD2 4.06Å; A215-L270 HydrophobicContact CB-CB 4.37Å; A215-L270 HydrophobicContact CB-CD2 3.84Å; L221-L270 HydrophobicContact CD1-CD2 3.61Å; L221-L270 HydrophobicContact CG-CD2 4.02Å; I268-L270 HydrophobicContact CD1-CD2 4.18Å; L270-Y277 HydrophobicContact CD1-CD2 4.42Å; L270-Y277 HydrophobicContact CD1-CE2 4.12Å; L270-Y277 HydrophobicContact CG-CD2 4.4Å; L270-Y277 HydrophobicContact CG-CE2 4.28Å |
| 271 | G | 84.1 | Confident | 87.3 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -149.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S220 K269 K273 | S220-G271 WeakPolarHBondContact O-CA 3.41Å; S220-G271 PolarHBondContact O-N 3.24Å; K269-G271 VanDerWaalsContact CE-O 3.25Å; K269-G271 WeakPolarHBondContact CE-O 3.43Å; G271-K273 PolarHBondContact O-N 2.92Å |
| 272 | D | 72.5 | Confident | 87.6 | Confident | 157 Ų | 157 | 58.9 Ų | 58.9 | 84% | 0.84 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.6 | -173.5 | -58.8 | -40.3 | 0 | 0 | 0 | 114.4 | G274 | D272-G274 PolarHBondContact O-N 2.67Š|
| 273 | K | 65.4 | Low | 88.2 | Confident | 185 Ų | 185 | 52.1 Ų | 52.1 | 80% | 0.804 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -69.3 | 15.8 | -171.6 | -67.2 | -169 | 176.2 | -173.6 | 0 | 115.6 | G271 S275 | G271-K273 PolarHBondContact O-N 2.92Å; K273-S275 PolarHBondContact O-N 3.32Å; K273-S275 PolarHBondContact O-OG 2.9Å |
| 274 | G | 63.9 | Low | 88.7 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | trans | 62.3 | -7.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | D272 | D272-G274 PolarHBondContact O-N 2.67Š| ||
| 275 | S | 82.1 | Confident | 89 | Confident | 60 Ų | 60 | 54 Ų | 54 | 42% | 0.42 | 28% | 0.278 | S | S | . | . | trans | -92.1 | 128 | -174.6 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | K273 | K273-S275 PolarHBondContact O-N 3.32Å; K273-S275 PolarHBondContact O-OG 2.9Å | ||
| 276 | Y | 90.8 | Very high | 89.4 | Confident | 91 Ų | 91 | 50.8 Ų | 50.8 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139.6 | 177.4 | -72.4 | -81.2 | 0 | 0 | 0 | 111.3 | E224 R267 I268 K269 | E224-Y276 PolarHBondContact OE1-OH 3.16Å; E224-Y276 VanDerWaalsContact OE2-CE1 3.25Å; E224-Y276 WeakPolarHBondContact OE2-CE1 3.45Å; R267-Y276 HydrophobicContact CB-CD1 4.44Å; R267-Y276 VanDerWaalsContact CD-CD1 3.45Å; R267-Y276 HydrophobicContact CG-CD1 3.8Å; R267-Y276 HydrophobicContact CG-CE1 4.42Å; I268-Y276 WeakPolarHBondContact O-CA 3.36Å; K269-Y276 HydrophobicContact CB-CD1 4.21Å; K269-Y276 HydrophobicContact CB-CE1 4.03Å; K269-Y276 HydrophobicContact CD-CE1 4.36Å; K269-Y276 HydrophobicContact CG-CE1 4.44Å |
| 277 | Y | 92.5 | Very high | 89.7 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 28% | 0.275 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118 | 178.3 | -55.9 | -85.7 | 0 | 0 | 0 | 110.2 | L208 A256 R267 I268 L270 | L208-Y277 HydrophobicContact CD1-CD1 4.26Å; L208-Y277 HydrophobicContact CD1-CD2 4.44Å; L208-Y277 HydrophobicContact CD1-CE1 4.06Å; L208-Y277 HydrophobicContact CD1-CE2 4.25Å; L208-Y277 HydrophobicContact CD1-CG 4.44Å; L208-Y277 HydrophobicContact CD2-CD1 4.01Å; L208-Y277 HydrophobicContact CD2-CE1 4.41Å; L208-Y277 HydrophobicContact CD2-CG 4.39Å; A256-Y277 HydrophobicContact CB-CD1 4.18Å; A256-Y277 HydrophobicContact CB-CG 4.47Å; R267-Y277 CarbonylContact C-O 3.02Å; R267-Y277 VanDerWaalsContact CA-O 3.23Å; R267-Y277 WeakPolarHBondContact CA-O 3.3Å; I268-Y277 HydrophobicContact CG1-CD2 4.36Å; I268-Y277 PolarHBondContact N-O 3.5Å; I268-Y277 PolarHBondContact O-N 2.79Å; L270-Y277 HydrophobicContact CD1-CD2 4.42Å; L270-Y277 HydrophobicContact CD1-CE2 4.12Å; L270-Y277 HydrophobicContact CG-CD2 4.4Å; L270-Y277 HydrophobicContact CG-CE2 4.28Å |
| 278 | Y | 93.5 | Very high | 89.9 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 134.8 | 174.5 | -67.9 | -87.5 | 0 | 0 | 0 | 110.6 | V226 P232 A256 R267 | V226-Y278 HydrophobicContact CB-CE1 4.49Å; V226-Y278 HydrophobicContact CG1-CE1 4.03Å; V226-Y278 HydrophobicContact CG2-CD1 4.07Å; V226-Y278 HydrophobicContact CG2-CE1 3.72Å; P232-Y278 WeakPolarHBondContact CD-OH 3.17Å; P232-Y278 HydrophobicContact CG-CE2 4.23Å; A256-Y278 VanDerWaalsContact CB-O 3.31Å; A256-Y278 WeakPolarHBondContact CB-O 3.4Å; A256-Y278 PolarHBondContact N-O 2.86Å; R267-Y278 HydrophobicContact CB-CD1 4.4Å |
| 279 | I | 95 | Very high | 90.1 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142 | -176.8 | 58 | 159.4 | 0 | 0 | 0 | 111.9 | L257 C264 H266 I268 R284 I287 | L257-I279 HydrophobicContact CD1-CB 4.47Å; L257-I279 HydrophobicContact CD1-CG2 3.59Å; L257-I279 HydrophobicContact CG-CG2 4.14Å; C264-I279 WeakPolarHBondContact CB-O 3.33Å; C264-I279 VanDerWaalsContact SG-C 3.53Å; H266-I279 HydrophobicContact CB-CG1 4.18Å; H266-I279 PolarHBondContact O-N 3.42Å; I268-I279 HydrophobicContact CD1-CG2 3.93Å; I268-I279 HydrophobicContact CG1-CG2 4.02Å; I268-I279 HydrophobicContact CG2-CD1 3.43Å; I268-I279 VanDerWaalsContact CG2-CD1 3.43Å; I268-I279 HydrophobicContact CG2-CG1 4Å; I268-I279 HydrophobicContact CG2-CG2 4.29Å; I279-R284 HydrophobicContact CD1-CB 3.72Å; I279-R284 HydrophobicContact CD1-CG 4.36Å; I279-I287 HydrophobicContact CD1-CD1 4.3Å |
| 280 | S | 93.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | trans | -67.4 | 158.6 | 176.2 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | C255 S282 S283 R284 | C255-S280 PolarHBondContact SG-N 2.95Å; S280-S282 VanDerWaalsContact C-N 3.27Å; S280-S282 PolarHBondContact O-N 2.9Å; S280-S283 PolarHBondContact O-N 3.44Å; S280-S283 VanDerWaalsContact O-N 3.08Å; S280-S283 PolarHBondContact OG-N 3.5Å; S280-S283 VanDerWaalsContact OG-N 3.17Å; S280-S283 PolarHBondContact OG-OG 2.95Å; S280-R284 PolarHBondContact O-N 3.38Å | ||
| 281 | P | 93.6 | Very high | 90.6 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 26% | 0.26 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -53.4 | -41.5 | 173.8 | -28.8 | 36.7 | 0 | 0 | 0 | 113.5 | R284 A285 Y331 | P281-R284 WeakPolarHBondContact O-CB 3.23Å; P281-R284 PolarHBondContact O-N 2.98Å; P281-A285 PolarHBondContact O-N 3.36Å; P281-Y331 HydrophobicContact CB-CD2 4.22Å; P281-Y331 HydrophobicContact CB-CE2 3.59Å |
| 282 | S | 95.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 21% | 0.21 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | S280 R284 A285 R286 | S280-S282 VanDerWaalsContact C-N 3.27Å; S280-S282 PolarHBondContact O-N 2.9Å; S282-R284 VanDerWaalsContact C-N 3.34Å; S282-R284 PolarHBondContact O-N 3.23Å; S282-A285 PolarHBondContact O-N 2.91Å; S282-R286 WeakPolarHBondContact O-CG 3.36Å; S282-R286 PolarHBondContact O-N 3.36Å; S282-R286 VanDerWaalsContact O-N 3.13Å |
| 283 | S | 96.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | C255 S280 R286 I287 | C255-S283 PolarHBondContact SG-OG 3.04Å; C255-S283 VanDerWaalsContact SG-OG 3.4Å; S280-S283 PolarHBondContact O-N 3.44Å; S280-S283 VanDerWaalsContact O-N 3.08Å; S280-S283 PolarHBondContact OG-N 3.5Å; S280-S283 VanDerWaalsContact OG-N 3.17Å; S280-S283 PolarHBondContact OG-OG 2.95Å; S283-R286 PolarHBondContact O-N 3.47Å; S283-I287 VanDerWaalsContact O-CG1 3.31Å; S283-I287 WeakPolarHBondContact O-CG1 3.49Å; S283-I287 PolarHBondContact O-N 2.93Å; S283-I287 VanDerWaalsContact O-N 3.08Å |
| 284 | R | 96.5 | Very high | 94.1 | Very high | 71 Ų | 71 | 32.6 Ų | 32.6 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59 | -52.8 | 174.1 | 177.8 | -171.7 | 172.6 | -136.8 | 7 | 110.5 | I223 H266 I279 S280 P281 S282 R286 I287 T288 D334 | I223-R284 HydrophobicContact CG2-CG 4.48Å; H266-R284 VanDerWaalsContact CE1-CZ 3.45Å; H266-R284 VanDerWaalsContact NE2-CZ 3.29Å; H266-R284 PolarHBondContact NE2-NE 2.99Å; H266-R284 PolarHBondContact NE2-NH2 3.03Å; I279-R284 HydrophobicContact CD1-CB 3.72Å; I279-R284 HydrophobicContact CD1-CG 4.36Å; S280-R284 PolarHBondContact O-N 3.38Å; P281-R284 WeakPolarHBondContact O-CB 3.23Å; P281-R284 PolarHBondContact O-N 2.98Å; S282-R284 VanDerWaalsContact C-N 3.34Å; S282-R284 PolarHBondContact O-N 3.23Å; R284-R286 VanDerWaalsContact C-N 3.3Å; R284-R286 PolarHBondContact O-N 2.78Å; R284-I287 PolarHBondContact O-N 3.02Å; R284-I287 VanDerWaalsContact O-N 3.13Å; R284-T288 WeakPolarHBondContact O-CB 3.38Å; R284-T288 PolarHBondContact O-N 3.46Å; R284-T288 PolarHBondContact O-OG1 3.5Å; R284-T288 VanDerWaalsContact O-OG1 3.07Å; R284-D334 IonicContact CZ-OD2 3.98Å; R284-D334 IonicContact NH1-OD2 3.22Å; R284-D334 PolarHBondContact NH1-OD2 3.33Å; R284-D334 IonicContact NH2-OD2 2.84Å |
| 285 | A | 97.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.3 | -44.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P281 S282 T288 A289 Y331 | P281-A285 PolarHBondContact O-N 3.36Å; S282-A285 PolarHBondContact O-N 2.91Å; A285-T288 PolarHBondContact O-N 3.05Å; A285-A289 WeakPolarHBondContact O-CB 3.42Å; A285-A289 PolarHBondContact O-N 3Å; A285-Y331 HydrophobicContact CB-CG 4.06Å |
| 286 | R | 98.2 | Very high | 96.5 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 176 | -71.8 | 173 | 64.8 | -174.4 | 2.3 | 112.7 | P199 C200 S202 F203 S282 S283 R284 V290 A326 | P199-R286 PolarHBondContact O-NH2 3.36Å; C200-R286 VanDerWaalsContact C-NH2 3.33Å; C200-R286 PolarHBondContact O-NE 3.05Å; C200-R286 PolarHBondContact O-NH2 3.16Å; S202-R286 PolarHBondContact O-NH2 3.34Å; F203-R286 HydrophobicContact CZ-CB 4.33Å; S282-R286 WeakPolarHBondContact O-CG 3.36Å; S282-R286 PolarHBondContact O-N 3.36Å; S282-R286 VanDerWaalsContact O-N 3.13Å; S283-R286 PolarHBondContact O-N 3.47Å; R284-R286 VanDerWaalsContact C-N 3.3Å; R284-R286 PolarHBondContact O-N 2.78Å; R286-V290 WeakPolarHBondContact O-CG2 3.35Å; R286-V290 PolarHBondContact O-N 3.01Å; R286-A326 HydrophobicContact CG-CB 3.99Å; R286-A326 WeakPolarHBondContact CG-O 3.49Å |
| 287 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -47 | 178.4 | -66.4 | 166.8 | 0 | 0 | 0 | 110.6 | L201 F203 V212 V216 L221 I223 L257 I268 I279 S283 R284 A289 V290 C291 | L201-I287 HydrophobicContact CD2-CG1 4.07Å; F203-I287 HydrophobicContact CE2-CG1 4.39Å; F203-I287 HydrophobicContact CZ-CD1 4.41Å; F203-I287 HydrophobicContact CZ-CG1 4.08Å; V212-I287 HydrophobicContact CG1-CD1 4.04Å; V212-I287 HydrophobicContact CG1-CG1 4.03Å; V216-I287 HydrophobicContact CG2-CG2 4.36Å; L221-I287 HydrophobicContact CD1-CG2 3.99Å; L221-I287 HydrophobicContact CD2-CG2 3.95Å; I223-I287 HydrophobicContact CD1-CG2 4.12Å; L257-I287 HydrophobicContact CD1-CD1 3.63Å; I268-I287 HydrophobicContact CD1-CD1 4.24Å; I279-I287 HydrophobicContact CD1-CD1 4.3Å; S283-I287 VanDerWaalsContact O-CG1 3.31Å; S283-I287 WeakPolarHBondContact O-CG1 3.49Å; S283-I287 PolarHBondContact O-N 2.93Å; S283-I287 VanDerWaalsContact O-N 3.08Å; R284-I287 PolarHBondContact O-N 3.02Å; R284-I287 VanDerWaalsContact O-N 3.13Å; I287-A289 PolarHBondContact O-N 3.22Å; I287-V290 PolarHBondContact O-N 3.43Å; I287-C291 PolarHBondContact O-N 3.14Å; I287-C291 PolarHBondContact O-SG 3.14Å; I287-C291 VanDerWaalsContact O-SG 3.36Å |
| 288 | T | 97.9 | Very high | 97.1 | Very high | 43 Ų | 43 | 24.5 Ų | 24.5 | 26% | 0.264 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.7 | -43.3 | -179.1 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | R284 A285 V290 C291 N292 | R284-T288 WeakPolarHBondContact O-CB 3.38Å; R284-T288 PolarHBondContact O-N 3.46Å; R284-T288 PolarHBondContact O-OG1 3.5Å; R284-T288 VanDerWaalsContact O-OG1 3.07Å; A285-T288 PolarHBondContact O-N 3.05Å; T288-V290 VanDerWaalsContact C-N 3.3Å; T288-V290 PolarHBondContact O-N 3.44Å; T288-C291 PolarHBondContact O-N 3.42Å; T288-N292 WeakPolarHBondContact O-CB 3.47Å; T288-N292 PolarHBondContact O-N 2.85Å; T288-N292 PolarHBondContact O-OD1 3.32Å |
| 289 | A | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 5% | 0.05 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A285 I287 N292 F293 E322 M323 A326 | A285-A289 WeakPolarHBondContact O-CB 3.42Å; A285-A289 PolarHBondContact O-N 3Å; I287-A289 PolarHBondContact O-N 3.22Å; A289-N292 PolarHBondContact O-N 3.24Å; A289-F293 PolarHBondContact O-N 3.38Å; A289-F293 VanDerWaalsContact O-N 3.14Å; A289-E322 HydrophobicContact CB-CB 4.29Å; A289-M323 HydrophobicContact CB-CG 3.87Å; A289-A326 HydrophobicContact CB-CB 4.35Å |
| 290 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.9 | -41.9 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | I197 C200 L201 V216 R286 I287 T288 N292 F293 F294 M323 | I197-V290 HydrophobicContact CB-CG1 4.46Å; I197-V290 HydrophobicContact CG1-CG1 4.18Å; I197-V290 HydrophobicContact CG2-CG1 3.77Å; C200-V290 HydrophobicContact CB-CG2 3.49Å; C200-V290 VanDerWaalsContact CB-CG2 3.49Å; L201-V290 HydrophobicContact CD1-CG1 4.08Å; L201-V290 HydrophobicContact CD2-CB 4.42Å; L201-V290 HydrophobicContact CD2-CG2 4.09Å; L201-V290 HydrophobicContact CG-CG1 4.48Å; L201-V290 HydrophobicContact CG-CG2 4.1Å; V216-V290 HydrophobicContact CG1-CG1 3.91Å; R286-V290 WeakPolarHBondContact O-CG2 3.35Å; R286-V290 PolarHBondContact O-N 3.01Å; I287-V290 PolarHBondContact O-N 3.43Å; T288-V290 VanDerWaalsContact C-N 3.3Å; T288-V290 PolarHBondContact O-N 3.44Å; V290-N292 VanDerWaalsContact C-N 3.33Å; V290-N292 PolarHBondContact O-N 2.96Å; V290-F293 WeakPolarHBondContact O-CB 3.32Å; V290-F293 PolarHBondContact O-N 2.88Å; V290-F294 HydrophobicContact CG1-CD2 3.76Å; V290-F294 HydrophobicContact CG1-CE2 3.64Å; V290-F294 WeakPolarHBondContact O-CD2 3.34Å; V290-F294 PolarHBondContact O-N 3.49Å; V290-M323 HydrophobicContact CB-SD 4.35Å; V290-M323 HydrophobicContact CG2-CG 4.18Å; V290-M323 HydrophobicContact CG2-SD 3.81Å |
| 291 | C | 98.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 19% | 0.189 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 112.2 | I287 T288 F294 T295 | I287-C291 PolarHBondContact O-N 3.14Å; I287-C291 PolarHBondContact O-SG 3.14Å; I287-C291 VanDerWaalsContact O-SG 3.36Å; T288-C291 PolarHBondContact O-N 3.42Å; C291-F294 PolarHBondContact O-N 3.33Å; C291-T295 VanDerWaalsContact O-CB 3.29Å; C291-T295 WeakPolarHBondContact O-CB 3.42Å; C291-T295 PolarHBondContact O-N 3.3Å; C291-T295 PolarHBondContact O-OG1 2.9Å |
| 292 | N | 98.3 | Very high | 97.6 | Very high | 68 Ų | 68 | 35 Ų | 35 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 177.1 | -70.7 | -10.5 | 0 | 0 | 0 | 110.6 | T288 A289 V290 T295 Y296 L319 | T288-N292 WeakPolarHBondContact O-CB 3.47Å; T288-N292 PolarHBondContact O-N 2.85Å; T288-N292 PolarHBondContact O-OD1 3.32Å; A289-N292 PolarHBondContact O-N 3.24Å; V290-N292 VanDerWaalsContact C-N 3.33Å; V290-N292 PolarHBondContact O-N 2.96Å; N292-T295 PolarHBondContact O-N 2.83Å; N292-Y296 PolarHBondContact O-N 3Å; N292-L319 HydrophobicContact CB-CD2 3.73Å |
| 293 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.9 | -55.6 | 174.2 | 174.8 | -97.6 | 0 | 0 | 0 | 111.6 | F188 L189 V192 I197 A289 V290 T295 Y296 I297 V316 L319 M323 | F188-F293 HydrophobicContact CE1-CZ 4.3Å; F188-F293 HydrophobicContact CZ-CE2 4.46Å; F188-F293 HydrophobicContact CZ-CZ 4.36Å; L189-F293 HydrophobicContact CD2-CE1 3.93Å; L189-F293 HydrophobicContact CD2-CZ 3.93Å; V192-F293 HydrophobicContact CB-CZ 4.22Å; V192-F293 HydrophobicContact CG1-CD1 4.45Å; V192-F293 HydrophobicContact CG1-CE1 3.88Å; V192-F293 HydrophobicContact CG1-CE2 4.01Å; V192-F293 HydrophobicContact CG1-CZ 3.64Å; V192-F293 HydrophobicContact CG2-CE2 4.49Å; V192-F293 HydrophobicContact CG2-CZ 4.16Å; I197-F293 HydrophobicContact CD1-CD1 4.05Å; I197-F293 HydrophobicContact CD1-CE1 3.95Å; A289-F293 PolarHBondContact O-N 3.38Å; A289-F293 VanDerWaalsContact O-N 3.14Å; V290-F293 WeakPolarHBondContact O-CB 3.32Å; V290-F293 PolarHBondContact O-N 2.88Å; F293-T295 VanDerWaalsContact C-N 3.31Å; F293-T295 PolarHBondContact O-N 2.92Å; F293-Y296 PolarHBondContact O-N 2.96Å; F293-I297 HydrophobicContact CD1-CG1 4.18Å; F293-I297 HydrophobicContact CD2-CG1 4.23Å; F293-I297 HydrophobicContact CE1-CG1 3.73Å; F293-I297 HydrophobicContact CE2-CD1 3.89Å; F293-I297 HydrophobicContact CE2-CG1 3.79Å; F293-I297 HydrophobicContact CG-CG1 4.41Å; F293-I297 HydrophobicContact CZ-CD1 3.84Å; F293-I297 HydrophobicContact CZ-CG1 3.51Å; F293-I297 WeakPolarHBondContact O-CG1 3.49Å; F293-I297 PolarHBondContact O-N 3.32Å; F293-V316 HydrophobicContact CE2-CG1 4.37Å; F293-L319 HydrophobicContact CB-CB 4.41Å; F293-L319 HydrophobicContact CD2-CB 4.24Å; F293-M323 HydrophobicContact CB-CE 3.83Å; F293-M323 HydrophobicContact CB-SD 4.12Å; F293-M323 HydrophobicContact CD1-CE 4.31Å; F293-M323 HydrophobicContact CD2-CE 3.81Å; F293-M323 HydrophobicContact CE2-CE 4.49Å; F293-M323 HydrophobicContact CG-CE 3.7Å; F293-M323 HydrophobicContact CG-SD 4.43Å |
| 294 | F | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -36.4 | -179.6 | -82.3 | -72 | 0 | 0 | 0 | 113.4 | L182 Y193 I197 V216 E217 V290 C291 Y296 I297 R298 | L182-F294 HydrophobicContact CD2-CD1 4.1Å; L182-F294 HydrophobicContact CD2-CE1 4.36Å; Y193-F294 AromaticContact CE1-CZ 3.98Å; Y193-F294 HydrophobicContact CE1-CZ 3.98Å; Y193-F294 HydrophobicContact CE2-CZ 4.43Å; Y193-F294 AromaticContact CZ-CZ 3.62Å; Y193-F294 WeakPolarHBondContact OH-CZ 3.14Å; I197-F294 HydrophobicContact CD1-CE2 3.84Å; I197-F294 HydrophobicContact CD1-CZ 3.76Å; I197-F294 HydrophobicContact CG1-CE2 4.48Å; I197-F294 HydrophobicContact CG2-CE2 4.38Å; V216-F294 HydrophobicContact CG1-CD2 3.61Å; V216-F294 HydrophobicContact CG1-CE2 4.04Å; V216-F294 HydrophobicContact CG1-CG 4.48Å; E217-F294 HydrophobicContact CG-CE1 4.42Å; E217-F294 HydrophobicContact CG-CE2 4.43Å; E217-F294 HydrophobicContact CG-CZ 3.99Å; V290-F294 HydrophobicContact CG1-CD2 3.76Å; V290-F294 HydrophobicContact CG1-CE2 3.64Å; V290-F294 WeakPolarHBondContact O-CD2 3.34Å; V290-F294 PolarHBondContact O-N 3.49Å; C291-F294 PolarHBondContact O-N 3.33Å; F294-Y296 VanDerWaalsContact C-N 3.35Å; F294-I297 PolarHBondContact O-N 3.49Å; F294-R298 WeakPolarHBondContact O-CB 3.41Å; F294-R298 VanDerWaalsContact O-CG 3.26Å; F294-R298 WeakPolarHBondContact O-CG 3.43Å; F294-R298 PolarHBondContact O-N 2.99Å |
| 295 | T | 98.1 | Very high | 97.5 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | C291 N292 F293 R298 Y299 | C291-T295 VanDerWaalsContact O-CB 3.29Å; C291-T295 WeakPolarHBondContact O-CB 3.42Å; C291-T295 PolarHBondContact O-N 3.3Å; C291-T295 PolarHBondContact O-OG1 2.9Å; N292-T295 PolarHBondContact O-N 2.83Å; F293-T295 VanDerWaalsContact C-N 3.31Å; F293-T295 PolarHBondContact O-N 2.92Å; T295-R298 PolarHBondContact O-N 3.13Å; T295-Y299 HydrophobicContact CG2-CD2 4.35Å; T295-Y299 HydrophobicContact CG2-CE1 4.02Å; T295-Y299 HydrophobicContact CG2-CE2 3.69Å; T295-Y299 PolarHBondContact O-N 3.44Å |
| 296 | Y | 98.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 178.5 | -171.3 | -112.9 | 0 | 0 | 0 | 112.4 | N292 F293 F294 R298 Y299 I300 V305 I312 E315 V316 L319 | N292-Y296 PolarHBondContact O-N 3Å; F293-Y296 PolarHBondContact O-N 2.96Å; F294-Y296 VanDerWaalsContact C-N 3.35Å; Y296-R298 VanDerWaalsContact C-N 3.32Å; Y296-R298 PolarHBondContact O-N 3.45Å; Y296-Y299 WeakPolarHBondContact O-CB 3.43Å; Y296-Y299 PolarHBondContact O-N 3.4Å; Y296-Y299 VanDerWaalsContact O-N 3.11Å; Y296-I300 HydrophobicContact CD1-CD1 3.97Å; Y296-I300 HydrophobicContact CE1-CD1 3.71Å; Y296-I300 HydrophobicContact CE1-CG1 4.31Å; Y296-I300 PolarHBondContact O-N 2.88Å; Y296-V305 HydrophobicContact CE2-CG2 4.06Å; Y296-I312 HydrophobicContact CE1-CG2 4.09Å; Y296-E315 HydrophobicContact CD1-CG 4.04Å; Y296-E315 HydrophobicContact CD2-CG 4.12Å; Y296-E315 HydrophobicContact CE1-CB 3.8Å; Y296-E315 HydrophobicContact CE1-CG 3.55Å; Y296-E315 HydrophobicContact CE2-CB 4.46Å; Y296-E315 HydrophobicContact CE2-CG 3.65Å; Y296-E315 HydrophobicContact CG-CG 4.3Å; Y296-V316 HydrophobicContact CD1-CG2 4.21Å; Y296-V316 HydrophobicContact CE1-CG2 4.01Å; Y296-L319 VanDerWaalsContact CB-CD1 3.46Å; Y296-L319 HydrophobicContact CD1-CD1 3.58Å; Y296-L319 HydrophobicContact CG-CD1 3.65Å |
| 297 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 175 | -65.3 | -57.3 | 0 | 0 | 0 | 110.6 | W176 L182 F188 F293 F294 Y299 I300 L301 V316 | W176-I297 HydrophobicContact CH2-CD1 3.91Å; W176-I297 HydrophobicContact CH2-CG2 4.11Å; W176-I297 HydrophobicContact CZ2-CD1 4.32Å; W176-I297 HydrophobicContact CZ2-CG2 3.79Å; L182-I297 HydrophobicContact CD2-CG2 3.6Å; F188-I297 HydrophobicContact CE1-CD1 3.95Å; F188-I297 HydrophobicContact CZ-CD1 4.2Å; F293-I297 HydrophobicContact CD1-CG1 4.18Å; F293-I297 HydrophobicContact CD2-CG1 4.23Å; F293-I297 HydrophobicContact CE1-CG1 3.73Å; F293-I297 HydrophobicContact CE2-CD1 3.89Å; F293-I297 HydrophobicContact CE2-CG1 3.79Å; F293-I297 HydrophobicContact CG-CG1 4.41Å; F293-I297 HydrophobicContact CZ-CD1 3.84Å; F293-I297 HydrophobicContact CZ-CG1 3.51Å; F293-I297 WeakPolarHBondContact O-CG1 3.49Å; F293-I297 PolarHBondContact O-N 3.32Å; F294-I297 PolarHBondContact O-N 3.49Å; I297-Y299 VanDerWaalsContact C-N 3.31Å; I297-Y299 PolarHBondContact O-N 2.91Å; I297-I300 HydrophobicContact CD1-CD1 4.25Å; I297-I300 WeakPolarHBondContact O-CB 3.39Å; I297-I300 PolarHBondContact O-N 3.24Å; I297-I300 VanDerWaalsContact O-N 3.08Å; I297-L301 HydrophobicContact CG2-CD1 3.47Å; I297-L301 VanDerWaalsContact CG2-CD1 3.47Å; I297-L301 WeakPolarHBondContact O-CD1 3.48Å; I297-L301 PolarHBondContact O-N 3.12Å; I297-V316 HydrophobicContact CD1-CG2 4.29Å |
| 298 | R | 97.6 | Very high | 96.9 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 176.2 | -73.1 | 179.7 | -163.2 | 112.6 | 0.2 | 112.7 | L182 V216 E217 N219 F294 T295 Y296 I300 L301 Q302 | L182-R298 HydrophobicContact CD1-CG 4.14Å; V216-R298 PolarHBondContact O-NH2 3.42Å; E217-R298 PolarHBondContact O-NH2 2.99Å; N219-R298 PolarHBondContact OD1-NH1 2.83Å; F294-R298 WeakPolarHBondContact O-CB 3.41Å; F294-R298 VanDerWaalsContact O-CG 3.26Å; F294-R298 WeakPolarHBondContact O-CG 3.43Å; F294-R298 PolarHBondContact O-N 2.99Å; T295-R298 PolarHBondContact O-N 3.13Å; Y296-R298 VanDerWaalsContact C-N 3.32Å; Y296-R298 PolarHBondContact O-N 3.45Å; R298-I300 VanDerWaalsContact C-N 3.31Å; R298-I300 PolarHBondContact O-N 3.44Å; R298-L301 PolarHBondContact O-N 3.43Å; R298-Q302 WeakPolarHBondContact O-CB 3.39Å; R298-Q302 VanDerWaalsContact O-CG 3.23Å; R298-Q302 WeakPolarHBondContact O-CG 3.41Å; R298-Q302 PolarHBondContact O-N 3.11Å |
| 299 | Y | 97.7 | Very high | 96.8 | Very high | 113 Ų | 113 | 55.3 Ų | 55.3 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 174.5 | -65.7 | -15.4 | 0 | 0 | 0 | 112.5 | T295 Y296 I297 G303 L304 | T295-Y299 HydrophobicContact CG2-CD2 4.35Å; T295-Y299 HydrophobicContact CG2-CE1 4.02Å; T295-Y299 HydrophobicContact CG2-CE2 3.69Å; T295-Y299 PolarHBondContact O-N 3.44Å; Y296-Y299 WeakPolarHBondContact O-CB 3.43Å; Y296-Y299 PolarHBondContact O-N 3.4Å; Y296-Y299 VanDerWaalsContact O-N 3.11Å; I297-Y299 VanDerWaalsContact C-N 3.31Å; I297-Y299 PolarHBondContact O-N 2.91Å; Y299-G303 PolarHBondContact O-N 3.46Å; Y299-L304 HydrophobicContact CD1-CD1 3.78Å; Y299-L304 HydrophobicContact CE1-CD1 4.33Å; Y299-L304 HydrophobicContact CG-CD1 4.33Å; Y299-L304 PolarHBondContact O-N 3.48Å |
| 300 | I | 97.1 | Very high | 96.7 | Very high | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.087 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 172.3 | -61.8 | 167.4 | 0 | 0 | 0 | 110.2 | W176 Y296 I297 R298 Q302 G303 V305 I312 | W176-I300 HydrophobicContact CH2-CB 4.25Å; W176-I300 HydrophobicContact CH2-CD1 4.11Å; W176-I300 HydrophobicContact CH2-CG2 3.89Å; W176-I300 HydrophobicContact CZ3-CD1 4.19Å; W176-I300 HydrophobicContact CZ3-CG2 4.06Å; Y296-I300 HydrophobicContact CD1-CD1 3.97Å; Y296-I300 HydrophobicContact CE1-CD1 3.71Å; Y296-I300 HydrophobicContact CE1-CG1 4.31Å; Y296-I300 PolarHBondContact O-N 2.88Å; I297-I300 HydrophobicContact CD1-CD1 4.25Å; I297-I300 WeakPolarHBondContact O-CB 3.39Å; I297-I300 PolarHBondContact O-N 3.24Å; I297-I300 VanDerWaalsContact O-N 3.08Å; R298-I300 VanDerWaalsContact C-N 3.31Å; R298-I300 PolarHBondContact O-N 3.44Å; I300-Q302 VanDerWaalsContact C-N 3.25Å; I300-Q302 PolarHBondContact O-N 3.06Å; I300-G303 PolarHBondContact O-N 3.02Å; I300-V305 HydrophobicContact CG1-CB 4.36Å; I300-V305 HydrophobicContact CG1-CG2 3.97Å; I300-I312 HydrophobicContact CD1-CG2 3.48Å; I300-I312 VanDerWaalsContact CD1-CG2 3.48Å; I300-I312 HydrophobicContact CG1-CG2 4.07Å |
| 301 | L | 95.7 | Very high | 96.6 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -37 | 178.8 | -83.7 | 86.9 | 0 | 0 | 0 | 112.6 | W176 P180 L182 I297 R298 G303 | W176-L301 HydrophobicContact CH2-CD1 4.44Å; W176-L301 HydrophobicContact CZ2-CD1 4.01Å; P180-L301 HydrophobicContact CB-CD1 4.37Å; P180-L301 HydrophobicContact CB-CG 4.12Å; L182-L301 HydrophobicContact CD2-CD1 4.43Å; L182-L301 HydrophobicContact CG-CD1 4.45Å; L182-L301 HydrophobicContact CG-CD2 4.01Å; I297-L301 HydrophobicContact CG2-CD1 3.47Å; I297-L301 VanDerWaalsContact CG2-CD1 3.47Å; I297-L301 WeakPolarHBondContact O-CD1 3.48Å; I297-L301 PolarHBondContact O-N 3.12Å; R298-L301 PolarHBondContact O-N 3.43Å; L301-G303 PolarHBondContact O-N 3.28Å |
| 302 | Q | 96.3 | Very high | 96.6 | Very high | 125 Ų | 125 | 63.6 Ų | 63.6 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.2 | 179.3 | -69.5 | 169 | -1.3 | 0 | 0 | 113.3 | R298 I300 L304 | R298-Q302 WeakPolarHBondContact O-CB 3.39Å; R298-Q302 VanDerWaalsContact O-CG 3.23Å; R298-Q302 WeakPolarHBondContact O-CG 3.41Å; R298-Q302 PolarHBondContact O-N 3.11Å; I300-Q302 VanDerWaalsContact C-N 3.25Å; I300-Q302 PolarHBondContact O-N 3.06Å; Q302-L304 VanDerWaalsContact C-N 3.28Å; Q302-L304 HydrophobicContact CB-CD1 4.16Å; Q302-L304 HydrophobicContact CB-CG 3.94Å; Q302-L304 PolarHBondContact O-N 2.84Å; Q302-L304 VanDerWaalsContact OE1-CD1 3.27Å |
| 303 | G | 94.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 20.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y299 I300 L301 V305 | Y299-G303 PolarHBondContact O-N 3.46Å; I300-G303 PolarHBondContact O-N 3.02Å; L301-G303 PolarHBondContact O-N 3.28Å; G303-V305 VanDerWaalsContact C-N 3.33Å |
| 304 | L | 95.9 | Very high | 96.6 | Very high | 110 Ų | 110 | 64.3 Ų | 64.3 | 58% | 0.576 | 31% | 0.311 | S | S | * | . | trans | -78.4 | -18.4 | 179.3 | -63.7 | 177 | 0 | 0 | 0 | 112.7 | Y299 Q302 | Y299-L304 HydrophobicContact CD1-CD1 3.78Å; Y299-L304 HydrophobicContact CE1-CD1 4.33Å; Y299-L304 HydrophobicContact CG-CD1 4.33Å; Y299-L304 PolarHBondContact O-N 3.48Å; Q302-L304 VanDerWaalsContact C-N 3.28Å; Q302-L304 HydrophobicContact CB-CD1 4.16Å; Q302-L304 HydrophobicContact CB-CG 3.94Å; Q302-L304 PolarHBondContact O-N 2.84Å; Q302-L304 VanDerWaalsContact OE1-CD1 3.27Å | ||
| 305 | V | 95.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | trans | -95.7 | 114.1 | -178.6 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | Y296 I300 G303 Q307 I312 | Y296-V305 HydrophobicContact CE2-CG2 4.06Å; I300-V305 HydrophobicContact CG1-CB 4.36Å; I300-V305 HydrophobicContact CG1-CG2 3.97Å; G303-V305 VanDerWaalsContact C-N 3.33Å; V305-Q307 HydrophobicContact CG1-CB 4.25Å; V305-I312 HydrophobicContact CG1-CD1 3.88Å; V305-I312 HydrophobicContact CG1-CG1 3.74Å | ||
| 306 | R | 91.8 | Very high | 96.5 | Very high | 244 Ų | 244 | 64.7 Ų | 64.7 | 92% | 0.921 | 31% | 0.31 | S | S | * | . | trans | -100.6 | 6.6 | -176.6 | -62.9 | -175 | 177.6 | 165.5 | -0.3 | 115 | ||||
| 307 | Q | 94.3 | Very high | 96.5 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -74.7 | 166.5 | -177.6 | -70.3 | 166.1 | 11.3 | 0 | 0 | 112 | V305 Q311 I312 | V305-Q307 HydrophobicContact CG1-CB 4.25Å; Q307-Q311 HydrophobicContact CB-CB 3.95Å; Q307-I312 HydrophobicContact CB-CG1 3.96Å; Q307-I312 WeakPolarHBondContact O-CD1 3.4Å |
| 308 | N | 95.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 69.8 Ų | 69.8 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | trans | -74.4 | 169.8 | 176.9 | 73.5 | 20.8 | 0 | 0 | 0 | 111.9 | E310 Q311 I312 | N308-E310 VanDerWaalsContact C-N 3.29Å; N308-E310 PolarHBondContact O-N 2.99Å; N308-E310 PolarHBondContact OD1-N 3.15Å; N308-Q311 PolarHBondContact O-N 3.27Å; N308-Q311 VanDerWaalsContact OD1-CB 3.32Å; N308-Q311 WeakPolarHBondContact OD1-CB 3.43Å; N308-Q311 WeakPolarHBondContact OD1-CG 3.47Å; N308-Q311 PolarHBondContact OD1-N 2.92Å; N308-I312 VanDerWaalsContact O-CG1 3.3Å; N308-I312 WeakPolarHBondContact O-CG1 3.43Å; N308-I312 PolarHBondContact O-N 3.34Å; N308-I312 VanDerWaalsContact O-N 3.14Å | ||
| 309 | A | 95.9 | Very high | 96.6 | Very high | 20 Ų | 20 | 68.4 Ų | 68.4 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.3 | -44.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F170 F173 L174 I312 F313 | F170-A309 HydrophobicContact CE2-CB 4.46Å; F170-A309 HydrophobicContact CZ-CB 4.22Å; F173-A309 WeakPolarHBondContact CE1-O 3.43Å; L174-A309 HydrophobicContact CD2-CB 3.86Å; A309-I312 PolarHBondContact O-N 3.49Å; A309-F313 WeakPolarHBondContact O-CB 3.43Å; A309-F313 PolarHBondContact O-N 3.01Å |
| 310 | E | 96.5 | Very high | 96.6 | Very high | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | -174.7 | -59.4 | 179.4 | -174.6 | 0 | 0 | 111.2 | M165 F170 N308 F313 W314 | M165-E310 HydrophobicContact CE-CB 4.3Å; M165-E310 HydrophobicContact CE-CG 3.97Å; F170-E310 HydrophobicContact CE2-CG 4.46Å; F170-E310 HydrophobicContact CZ-CG 3.99Å; N308-E310 VanDerWaalsContact C-N 3.29Å; N308-E310 PolarHBondContact O-N 2.99Å; N308-E310 PolarHBondContact OD1-N 3.15Å; E310-F313 PolarHBondContact O-N 3.1Å; E310-W314 PolarHBondContact O-N 3.35Å |
| 311 | Q | 96.7 | Very high | 96.6 | Very high | 100 Ų | 100 | 70 Ų | 70 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.7 | -74.8 | 171.9 | -15.5 | 0 | 0 | 111.5 | Q307 N308 F313 W314 E315 | Q307-Q311 HydrophobicContact CB-CB 3.95Å; N308-Q311 PolarHBondContact O-N 3.27Å; N308-Q311 VanDerWaalsContact OD1-CB 3.32Å; N308-Q311 WeakPolarHBondContact OD1-CB 3.43Å; N308-Q311 WeakPolarHBondContact OD1-CG 3.47Å; N308-Q311 PolarHBondContact OD1-N 2.92Å; Q311-F313 VanDerWaalsContact C-N 3.32Å; Q311-F313 PolarHBondContact O-N 3.43Å; Q311-W314 PolarHBondContact O-N 3.27Å; Q311-E315 PolarHBondContact O-N 3.43Å |
| 312 | I | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.2 | -60.4 | 171.9 | 0 | 0 | 0 | 110.2 | F173 Y296 I300 V305 Q307 N308 A309 E315 V316 | F173-I312 HydrophobicContact CE2-CG2 4Å; F173-I312 HydrophobicContact CZ-CB 3.94Å; F173-I312 HydrophobicContact CZ-CG2 3.55Å; Y296-I312 HydrophobicContact CE1-CG2 4.09Å; I300-I312 HydrophobicContact CD1-CG2 3.48Å; I300-I312 VanDerWaalsContact CD1-CG2 3.48Å; I300-I312 HydrophobicContact CG1-CG2 4.07Å; V305-I312 HydrophobicContact CG1-CD1 3.88Å; V305-I312 HydrophobicContact CG1-CG1 3.74Å; Q307-I312 HydrophobicContact CB-CG1 3.96Å; Q307-I312 WeakPolarHBondContact O-CD1 3.4Å; N308-I312 VanDerWaalsContact O-CG1 3.3Å; N308-I312 WeakPolarHBondContact O-CG1 3.43Å; N308-I312 PolarHBondContact O-N 3.34Å; N308-I312 VanDerWaalsContact O-N 3.14Å; A309-I312 PolarHBondContact O-N 3.49Å; I312-E315 PolarHBondContact O-N 3.23Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 3.45Å |
| 313 | F | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 176.8 | 175.8 | -97 | 0 | 0 | 0 | 112.2 | M165 L169 F170 F173 A309 E310 Q311 E315 V316 M317 | M165-F313 HydrophobicContact CG-CD1 4.24Å; M165-F313 HydrophobicContact CG-CE1 3.73Å; M165-F313 HydrophobicContact CG-CZ 4.33Å; M165-F313 HydrophobicContact SD-CD1 3.14Å; M165-F313 WeakPolarHBondContact SD-CD1 3.38Å; M165-F313 HydrophobicContact SD-CE1 3.25Å; M165-F313 WeakPolarHBondContact SD-CE1 3.38Å; M165-F313 HydrophobicContact SD-CG 4.03Å; M165-F313 HydrophobicContact SD-CZ 4.19Å; L169-F313 HydrophobicContact CB-CE2 4.09Å; L169-F313 HydrophobicContact CB-CZ 4.04Å; F170-F313 HydrophobicContact CB-CD2 4.47Å; F170-F313 HydrophobicContact CB-CE2 4.06Å; F170-F313 HydrophobicContact CB-CZ 4.1Å; F170-F313 HydrophobicContact CD2-CB 3.83Å; F170-F313 AromaticContact CD2-CD1 3.97Å; F170-F313 HydrophobicContact CD2-CD1 3.97Å; F170-F313 AromaticContact CD2-CD2 3.66Å; F170-F313 HydrophobicContact CD2-CD2 3.66Å; F170-F313 HydrophobicContact CD2-CE1 4.4Å; F170-F313 HydrophobicContact CD2-CE2 4.1Å; F170-F313 AromaticContact CD2-CG 3.54Å; F170-F313 HydrophobicContact CD2-CG 3.54Å; F170-F313 HydrophobicContact CD2-CZ 4.44Å; F170-F313 HydrophobicContact CE2-CB 3.83Å; F170-F313 HydrophobicContact CE2-CD2 4.48Å; F170-F313 HydrophobicContact CE2-CG 4.07Å; F173-F313 HydrophobicContact CB-CD2 3.78Å; F173-F313 HydrophobicContact CB-CE2 4.18Å; F173-F313 HydrophobicContact CD1-CB 3.89Å; F173-F313 AromaticContact CD1-CD2 3.82Å; F173-F313 HydrophobicContact CD1-CD2 3.82Å; F173-F313 HydrophobicContact CD1-CG 4.33Å; F173-F313 HydrophobicContact CE1-CB 3.86Å; F173-F313 HydrophobicContact CG-CB 4.49Å; F173-F313 AromaticContact CG-CD2 3.79Å; F173-F313 HydrophobicContact CG-CD2 3.79Å; F173-F313 HydrophobicContact CZ-CB 4.44Å; A309-F313 WeakPolarHBondContact O-CB 3.43Å; A309-F313 PolarHBondContact O-N 3.01Å; E310-F313 PolarHBondContact O-N 3.1Å; Q311-F313 VanDerWaalsContact C-N 3.32Å; Q311-F313 PolarHBondContact O-N 3.43Å; F313-E315 VanDerWaalsContact C-N 3.27Å; F313-E315 PolarHBondContact O-N 3.17Å; F313-V316 CarbonylContact O-C 3.6Å; F313-V316 WeakPolarHBondContact O-CB 3.5Å; F313-V316 PolarHBondContact O-N 3.23Å; F313-V316 VanDerWaalsContact O-N 3.15Å; F313-M317 HydrophobicContact CD1-CG 3.99Å; F313-M317 HydrophobicContact CD2-CE 3.94Å; F313-M317 HydrophobicContact CE1-CE 4.37Å; F313-M317 HydrophobicContact CE1-CG 3.54Å; F313-M317 HydrophobicContact CE1-SD 4.46Å; F313-M317 HydrophobicContact CE2-CE 3.3Å; F313-M317 HydrophobicContact CE2-CG 4.18Å; F313-M317 HydrophobicContact CE2-SD 4.33Å; F313-M317 HydrophobicContact CZ-CE 3.57Å; F313-M317 HydrophobicContact CZ-CG 3.67Å; F313-M317 HydrophobicContact CZ-SD 4Å; F313-M317 WeakPolarHBondContact O-CG 3.11Å; F313-M317 PolarHBondContact O-N 3.12Å |
| 314 | W | 97.4 | Very high | 97 | Very high | 80 Ų | 80 | 64 Ų | 64 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63 | -35.5 | 178.1 | -82.7 | 118 | 0 | 0 | 0 | 112.5 | R163 E164 M165 E310 Q311 M317 R318 | R163-W314 HydrophobicContact CB-CH2 3.65Å; R163-W314 HydrophobicContact CB-CZ2 4.22Å; R163-W314 HydrophobicContact CB-CZ3 4.02Å; R163-W314 HydrophobicContact CG-CH2 4.49Å; R163-W314 HydrophobicContact CG-CZ3 4.4Å; E164-W314 WeakPolarHBondContact O-CH2 3.36Å; M165-W314 HydrophobicContact CB-CZ2 4.14Å; E310-W314 PolarHBondContact O-N 3.35Å; Q311-W314 PolarHBondContact O-N 3.27Å; W314-M317 HydrophobicContact CE3-CB 4.24Å; W314-M317 PolarHBondContact O-N 3.24Å; W314-R318 WeakPolarHBondContact O-CB 3.28Å; W314-R318 PolarHBondContact O-N 3Å |
| 315 | E | 98.1 | Very high | 97 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 173.9 | -175 | 57.6 | -164 | 0 | 0 | 111.8 | Y296 Q311 I312 F313 M317 R318 L319 | Y296-E315 HydrophobicContact CD1-CG 4.04Å; Y296-E315 HydrophobicContact CD2-CG 4.12Å; Y296-E315 HydrophobicContact CE1-CB 3.8Å; Y296-E315 HydrophobicContact CE1-CG 3.55Å; Y296-E315 HydrophobicContact CE2-CB 4.46Å; Y296-E315 HydrophobicContact CE2-CG 3.65Å; Y296-E315 HydrophobicContact CG-CG 4.3Å; Q311-E315 PolarHBondContact O-N 3.43Å; I312-E315 PolarHBondContact O-N 3.23Å; F313-E315 VanDerWaalsContact C-N 3.27Å; F313-E315 PolarHBondContact O-N 3.17Å; E315-M317 VanDerWaalsContact C-N 3.34Å; E315-M317 PolarHBondContact O-N 3.28Å; E315-R318 VanDerWaalsContact CD-NE 3.28Å; E315-R318 WeakPolarHBondContact O-CB 3.32Å; E315-R318 PolarHBondContact O-N 3.01Å; E315-R318 IonicContact OE1-CZ 2.83Å; E315-R318 VanDerWaalsContact OE1-CZ 3.28Å; E315-R318 IonicContact OE1-NE 3.89Å; E315-R318 PolarHBondContact OE1-NE 3.48Å; E315-R318 IonicContact OE1-NH2 2.8Å; E315-R318 PolarHBondContact OE1-NH2 2.73Å; E315-R318 WeakPolarHBondContact OE2-CD 3.47Å; E315-R318 IonicContact OE2-CZ 3.98Å; E315-R318 IonicContact OE2-NE 3.31Å; E315-R318 PolarHBondContact OE2-NE 2.91Å; E315-R318 IonicContact OE2-NH2 2.89Å; E315-L319 HydrophobicContact CG-CD1 4.32Å; E315-L319 WeakPolarHBondContact O-CD1 3.31Å; E315-L319 VanDerWaalsContact O-CG 3.31Å; E315-L319 WeakPolarHBondContact O-CG 3.49Å; E315-L319 PolarHBondContact O-N 3.24Å |
| 316 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 170 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | F173 F188 F293 Y296 I297 I312 F313 R318 L319 R320 | F173-V316 HydrophobicContact CE2-CG2 4.25Å; F188-V316 HydrophobicContact CE2-CG1 3.92Å; F188-V316 HydrophobicContact CZ-CG1 3.71Å; F293-V316 HydrophobicContact CE2-CG1 4.37Å; Y296-V316 HydrophobicContact CD1-CG2 4.21Å; Y296-V316 HydrophobicContact CE1-CG2 4.01Å; I297-V316 HydrophobicContact CD1-CG2 4.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 3.45Å; F313-V316 CarbonylContact O-C 3.6Å; F313-V316 WeakPolarHBondContact O-CB 3.5Å; F313-V316 PolarHBondContact O-N 3.23Å; F313-V316 VanDerWaalsContact O-N 3.15Å; V316-R318 VanDerWaalsContact C-N 3.33Å; V316-R318 PolarHBondContact O-N 2.94Å; V316-L319 PolarHBondContact O-N 3.02Å; V316-R320 HydrophobicContact CG1-CG 4.46Å; V316-R320 WeakPolarHBondContact O-CG 3.32Å; V316-R320 PolarHBondContact O-N 3.02Å |
| 317 | M | 98.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 17% | 0.167 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 178.3 | -69.5 | -53.7 | 128.3 | 0 | 0 | 112.2 | L169 F313 W314 E315 R320 R321 | L169-M317 HydrophobicContact CB-CE 4.43Å; L169-M317 HydrophobicContact CD1-CE 4.48Å; L169-M317 HydrophobicContact CD1-SD 4.3Å; F313-M317 HydrophobicContact CD1-CG 3.99Å; F313-M317 HydrophobicContact CD2-CE 3.94Å; F313-M317 HydrophobicContact CE1-CE 4.37Å; F313-M317 HydrophobicContact CE1-CG 3.54Å; F313-M317 HydrophobicContact CE1-SD 4.46Å; F313-M317 HydrophobicContact CE2-CE 3.3Å; F313-M317 HydrophobicContact CE2-CG 4.18Å; F313-M317 HydrophobicContact CE2-SD 4.33Å; F313-M317 HydrophobicContact CZ-CE 3.57Å; F313-M317 HydrophobicContact CZ-CG 3.67Å; F313-M317 HydrophobicContact CZ-SD 4Å; F313-M317 WeakPolarHBondContact O-CG 3.11Å; F313-M317 PolarHBondContact O-N 3.12Å; W314-M317 HydrophobicContact CE3-CB 4.24Å; W314-M317 PolarHBondContact O-N 3.24Å; E315-M317 VanDerWaalsContact C-N 3.34Å; E315-M317 PolarHBondContact O-N 3.28Å; M317-R320 PolarHBondContact O-N 3.43Å; M317-R321 WeakPolarHBondContact O-CB 3.41Å; M317-R321 PolarHBondContact O-N 3.16Å |
| 318 | R | 97.7 | Very high | 97.4 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.3 | -167.6 | -168 | 71.6 | 70 | 6.1 | 111.2 | W314 E315 V316 R321 E322 | W314-R318 WeakPolarHBondContact O-CB 3.28Å; W314-R318 PolarHBondContact O-N 3Å; E315-R318 VanDerWaalsContact CD-NE 3.28Å; E315-R318 WeakPolarHBondContact O-CB 3.32Å; E315-R318 PolarHBondContact O-N 3.01Å; E315-R318 IonicContact OE1-CZ 2.83Å; E315-R318 VanDerWaalsContact OE1-CZ 3.28Å; E315-R318 IonicContact OE1-NE 3.89Å; E315-R318 PolarHBondContact OE1-NE 3.48Å; E315-R318 IonicContact OE1-NH2 2.8Å; E315-R318 PolarHBondContact OE1-NH2 2.73Å; E315-R318 WeakPolarHBondContact OE2-CD 3.47Å; E315-R318 IonicContact OE2-CZ 3.98Å; E315-R318 IonicContact OE2-NE 3.31Å; E315-R318 PolarHBondContact OE2-NE 2.91Å; E315-R318 IonicContact OE2-NH2 2.89Å; V316-R318 VanDerWaalsContact C-N 3.33Å; V316-R318 PolarHBondContact O-N 2.94Å; R318-R321 WeakPolarHBondContact O-CB 3.38Å; R318-R321 PolarHBondContact O-N 3.42Å; R318-E322 IonicContact CZ-OE1 3.42Å; R318-E322 IonicContact NH1-OE1 3.69Å; R318-E322 PolarHBondContact NH1-OE1 3.38Å; R318-E322 IonicContact NH1-OE2 3.79Å; R318-E322 PolarHBondContact O-N 3.05Å |
| 319 | L | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 178.2 | -68.7 | 162.8 | 0 | 0 | 0 | 112.3 | N292 F293 Y296 E315 V316 R321 E322 M323 | N292-L319 HydrophobicContact CB-CD2 3.73Å; F293-L319 HydrophobicContact CB-CB 4.41Å; F293-L319 HydrophobicContact CD2-CB 4.24Å; Y296-L319 VanDerWaalsContact CB-CD1 3.46Å; Y296-L319 HydrophobicContact CD1-CD1 3.58Å; Y296-L319 HydrophobicContact CG-CD1 3.65Å; E315-L319 HydrophobicContact CG-CD1 4.32Å; E315-L319 WeakPolarHBondContact O-CD1 3.31Å; E315-L319 VanDerWaalsContact O-CG 3.31Å; E315-L319 WeakPolarHBondContact O-CG 3.49Å; E315-L319 PolarHBondContact O-N 3.24Å; V316-L319 PolarHBondContact O-N 3.02Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-E322 PolarHBondContact O-N 3.47Å; L319-M323 PolarHBondContact O-N 2.97Å; L319-M323 VanDerWaalsContact O-N 3.12Å |
| 320 | R | 98.5 | Very high | 97.2 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | 172.3 | -70.2 | -173.9 | 71.7 | -166.2 | -0.1 | 112.1 | E195 D196 V316 M317 M323 T324 | E195-R320 IonicContact OE2-CZ 3.38Å; E195-R320 IonicContact OE2-NH2 2.93Å; E195-R320 PolarHBondContact OE2-NH2 3.31Å; D196-R320 IonicContact OD2-CZ 3.25Å; D196-R320 VanDerWaalsContact OD2-CZ 3.31Å; D196-R320 IonicContact OD2-NE 2.76Å; D196-R320 PolarHBondContact OD2-NE 2.79Å; D196-R320 IonicContact OD2-NH2 3.31Å; D196-R320 PolarHBondContact OD2-NH2 3.4Å; V316-R320 HydrophobicContact CG1-CG 4.46Å; V316-R320 WeakPolarHBondContact O-CG 3.32Å; V316-R320 PolarHBondContact O-N 3.02Å; M317-R320 PolarHBondContact O-N 3.43Å; R320-M323 HydrophobicContact CG-CE 4.16Å; R320-M323 PolarHBondContact O-N 2.67Å; R320-T324 WeakPolarHBondContact O-CB 3.45Å; R320-T324 PolarHBondContact O-N 3.45Å; R320-T324 PolarHBondContact O-OG1 2.86Å |
| 321 | R | 97.5 | Very high | 96.9 | Very high | 142 Ų | 142 | 55.4 Ų | 55.4 | 54% | 0.536 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 173.1 | -177.1 | -174 | -177.9 | -137.5 | 17.9 | 111.1 | E161 M317 R318 L319 M323 T324 V325 | E161-R321 IonicContact OE1-CZ 3.28Å; E161-R321 IonicContact OE1-NH2 2.69Å; E161-R321 PolarHBondContact OE1-NH2 2.96Å; E161-R321 IonicContact OE2-NH2 3.96Å; M317-R321 WeakPolarHBondContact O-CB 3.41Å; M317-R321 PolarHBondContact O-N 3.16Å; R318-R321 WeakPolarHBondContact O-CB 3.38Å; R318-R321 PolarHBondContact O-N 3.42Å; L319-R321 VanDerWaalsContact C-N 3.34Å; R321-M323 VanDerWaalsContact C-N 3.32Å; R321-M323 PolarHBondContact O-N 3.05Å; R321-T324 PolarHBondContact O-N 2.98Å; R321-T324 VanDerWaalsContact O-N 3.1Å; R321-V325 HydrophobicContact CG-CG2 4.23Å; R321-V325 WeakPolarHBondContact O-CB 3.29Å; R321-V325 VanDerWaalsContact O-CG2 3.31Å; R321-V325 WeakPolarHBondContact O-CG2 3.27Å; R321-V325 PolarHBondContact O-N 3.22Å |
| 322 | E | 97.8 | Very high | 96.3 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 176.3 | -72.5 | -174.9 | 164.3 | 0 | 0 | 111.9 | A289 R318 L319 T324 V325 A326 | A289-E322 HydrophobicContact CB-CB 4.29Å; R318-E322 IonicContact CZ-OE1 3.42Å; R318-E322 IonicContact NH1-OE1 3.69Å; R318-E322 PolarHBondContact NH1-OE1 3.38Å; R318-E322 IonicContact NH1-OE2 3.79Å; R318-E322 PolarHBondContact O-N 3.05Å; L319-E322 PolarHBondContact O-N 3.47Å; E322-T324 PolarHBondContact O-N 3.24Å; E322-V325 PolarHBondContact O-N 3.35Å; E322-A326 VanDerWaalsContact O-CB 3.25Å; E322-A326 WeakPolarHBondContact O-CB 3.5Å; E322-A326 PolarHBondContact O-N 3.37Å |
| 323 | M | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.9 | -71.1 | -171.1 | -72.6 | 0 | 0 | 112 | V192 D196 I197 C200 A289 V290 F293 L319 R320 R321 V325 A326 K327 | V192-M323 HydrophobicContact CG1-CE 3.86Å; D196-M323 HydrophobicContact CB-CB 4.02Å; D196-M323 HydrophobicContact CB-CE 3.78Å; D196-M323 HydrophobicContact CB-SD 4.07Å; I197-M323 HydrophobicContact CG1-CE 4.43Å; I197-M323 HydrophobicContact CG1-SD 3.84Å; C200-M323 PolarHBondContact SG-O 3.5Å; A289-M323 HydrophobicContact CB-CG 3.87Å; V290-M323 HydrophobicContact CB-SD 4.35Å; V290-M323 HydrophobicContact CG2-CG 4.18Å; V290-M323 HydrophobicContact CG2-SD 3.81Å; F293-M323 HydrophobicContact CB-CE 3.83Å; F293-M323 HydrophobicContact CB-SD 4.12Å; F293-M323 HydrophobicContact CD1-CE 4.31Å; F293-M323 HydrophobicContact CD2-CE 3.81Å; F293-M323 HydrophobicContact CE2-CE 4.49Å; F293-M323 HydrophobicContact CG-CE 3.7Å; F293-M323 HydrophobicContact CG-SD 4.43Å; L319-M323 PolarHBondContact O-N 2.97Å; L319-M323 VanDerWaalsContact O-N 3.12Å; R320-M323 HydrophobicContact CG-CE 4.16Å; R320-M323 PolarHBondContact O-N 2.67Å; R321-M323 VanDerWaalsContact C-N 3.32Å; R321-M323 PolarHBondContact O-N 3.05Å; M323-V325 PolarHBondContact O-N 2.96Å; M323-A326 PolarHBondContact O-N 3.42Å; M323-K327 PolarHBondContact O-N 3.32Å |
| 324 | T | 97.6 | Very high | 93.3 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 179.1 | -75.7 | 0 | 0 | 0 | 0 | 113.1 | D196 R320 R321 E322 K327 L328 | D196-T324 PolarHBondContact OD1-OG1 3.38Å; R320-T324 WeakPolarHBondContact O-CB 3.45Å; R320-T324 PolarHBondContact O-N 3.45Å; R320-T324 PolarHBondContact O-OG1 2.86Å; R321-T324 PolarHBondContact O-N 2.98Å; R321-T324 VanDerWaalsContact O-N 3.1Å; E322-T324 PolarHBondContact O-N 3.24Å; T324-K327 VanDerWaalsContact O-CG 3.3Å; T324-K327 WeakPolarHBondContact O-CG 3.44Å; T324-K327 PolarHBondContact OG1-NZ 2.95Å; T324-L328 WeakPolarHBondContact O-CD1 3.44Å; T324-L328 VanDerWaalsContact O-CG 3.3Å; T324-L328 WeakPolarHBondContact O-CG 3.4Å |
| 325 | V | 96.9 | Very high | 90.7 | Very high | 57 Ų | 57 | 72.4 Ų | 72.4 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -43.7 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 109.8 | R321 E322 M323 L328 G329 F330 | R321-V325 HydrophobicContact CG-CG2 4.23Å; R321-V325 WeakPolarHBondContact O-CB 3.29Å; R321-V325 VanDerWaalsContact O-CG2 3.31Å; R321-V325 WeakPolarHBondContact O-CG2 3.27Å; R321-V325 PolarHBondContact O-N 3.22Å; E322-V325 PolarHBondContact O-N 3.35Å; M323-V325 PolarHBondContact O-N 2.96Å; V325-L328 PolarHBondContact O-N 3.29Å; V325-G329 PolarHBondContact O-N 2.97Å; V325-F330 CarbonylContact C-O 3.6Å; V325-F330 HydrophobicContact CG1-CB 3.45Å; V325-F330 VanDerWaalsContact CG1-CB 3.45Å; V325-F330 HydrophobicContact CG1-CG 4.39Å; V325-F330 PolarHBondContact O-N 3.15Å |
| 326 | A | 97.1 | Very high | 87.5 | Confident | 6 Ų | 6 | 76.8 Ų | 76.8 | 5% | 0.05 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.1 | -40.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R286 A289 E322 M323 L328 G329 F330 | R286-A326 HydrophobicContact CG-CB 3.99Å; R286-A326 WeakPolarHBondContact CG-O 3.49Å; A289-A326 HydrophobicContact CB-CB 4.35Å; E322-A326 VanDerWaalsContact O-CB 3.25Å; E322-A326 WeakPolarHBondContact O-CB 3.5Å; E322-A326 PolarHBondContact O-N 3.37Å; M323-A326 PolarHBondContact O-N 3.42Å; A326-L328 PolarHBondContact O-N 3.13Å; A326-G329 PolarHBondContact O-N 3.21Å; A326-F330 WeakPolarHBondContact CA-O 3.39Å |
| 327 | K | 95.8 | Very high | 87 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 27% | 0.265 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.8 | -28.1 | 178 | 72.6 | -170.7 | 178.5 | -153.6 | 0 | 112.6 | E195 D196 P199 M323 T324 G329 | E195-K327 PolarHBondContact O-NZ 3.3Å; D196-K327 IonicContact OD1-NZ 3Å; D196-K327 PolarHBondContact OD1-NZ 3.44Å; P199-K327 HydrophobicContact CB-CB 4.38Å; P199-K327 HydrophobicContact CB-CD 3.85Å; M323-K327 PolarHBondContact O-N 3.32Å; T324-K327 VanDerWaalsContact O-CG 3.3Å; T324-K327 WeakPolarHBondContact O-CG 3.44Å; T324-K327 PolarHBondContact OG1-NZ 2.95Å; K327-G329 PolarHBondContact O-N 3.06Å |
| 328 | L | 96.4 | Very high | 86.4 | Confident | 118 Ų | 118 | 83.1 Ų | 83.1 | 62% | 0.618 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.3 | 175.1 | -63.5 | 174.5 | 0 | 0 | 0 | 113 | T324 V325 A326 F330 | T324-L328 WeakPolarHBondContact O-CD1 3.44Å; T324-L328 VanDerWaalsContact O-CG 3.3Å; T324-L328 WeakPolarHBondContact O-CG 3.4Å; V325-L328 PolarHBondContact O-N 3.29Å; A326-L328 PolarHBondContact O-N 3.13Å; L328-F330 HydrophobicContact CB-CD2 3.71Å; L328-F330 HydrophobicContact CB-CE2 3.82Å; L328-F330 HydrophobicContact CD1-CE2 4.44Å |
| 329 | G | 92.9 | Very high | 85.8 | Confident | 36 Ų | 36 | 82.2 Ų | 82.2 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 6.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | V325 A326 K327 Y331 | V325-G329 PolarHBondContact O-N 2.97Å; A326-G329 PolarHBondContact O-N 3.21Å; K327-G329 PolarHBondContact O-N 3.06Å; G329-Y331 WeakPolarHBondContact O-CD1 3.39Å; G329-Y331 WeakPolarHBondContact O-CE1 3.46Å |
| 330 | F | 94.5 | Very high | 85 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 60% | 0.601 | 48% | 0.48 | S | S | * | . | trans | -85.8 | 121.5 | 173.5 | -59.5 | -76.4 | 0 | 0 | 0 | 109.8 | V325 A326 L328 | V325-F330 CarbonylContact C-O 3.6Å; V325-F330 HydrophobicContact CG1-CB 3.45Å; V325-F330 VanDerWaalsContact CG1-CB 3.45Å; V325-F330 HydrophobicContact CG1-CG 4.39Å; V325-F330 PolarHBondContact O-N 3.15Å; A326-F330 WeakPolarHBondContact CA-O 3.39Å; L328-F330 HydrophobicContact CB-CD2 3.71Å; L328-F330 HydrophobicContact CB-CE2 3.82Å; L328-F330 HydrophobicContact CD1-CE2 4.44Å | ||
| 331 | Y | 90.7 | Very high | 84.2 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 38% | 0.376 | 51% | 0.506 | S | S | . | . | trans | -150.6 | 152.2 | 177.1 | 58.4 | -86.6 | 0 | 0 | 0 | 110.1 | P281 A285 G329 T333 | P281-Y331 HydrophobicContact CB-CD2 4.22Å; P281-Y331 HydrophobicContact CB-CE2 3.59Å; A285-Y331 HydrophobicContact CB-CG 4.06Å; G329-Y331 WeakPolarHBondContact O-CD1 3.39Å; G329-Y331 WeakPolarHBondContact O-CE1 3.46Å; Y331-T333 HydrophobicContact CD2-CG2 4.22Å; Y331-T333 HydrophobicContact CE2-CG2 3.7Å | ||
| 332 | L | 83.8 | Confident | 83.3 | Confident | 164 Ų | 164 | 87.7 Ų | 87.7 | 86% | 0.859 | 50% | 0.504 | S | S | * | . | trans | -78.7 | 130.7 | 172.1 | -61 | 173.7 | 0 | 0 | 0 | 108.8 | ||||
| 333 | T | 71.9 | Confident | 82.3 | Confident | 79 Ų | 79 | 89 Ų | 89 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | trans | -87.4 | 132.9 | 165.9 | 44.4 | 0 | 0 | 0 | 0 | 108.2 | Y331 Q335 | Y331-T333 HydrophobicContact CD2-CG2 4.22Å; Y331-T333 HydrophobicContact CE2-CG2 3.7Å; T333-Q335 PolarHBondContact O-N 2.92Å | ||
| 334 | D | 60.7 | Low | 81 | Confident | 115 Ų | 115 | 95.8 Ų | 95.8 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | trans | -67.7 | 42.4 | 169.3 | -71.3 | -38.4 | 0 | 0 | 0 | 111.4 | R284 G336 | R284-D334 IonicContact CZ-OD2 3.98Å; R284-D334 IonicContact NH1-OD2 3.22Å; R284-D334 PolarHBondContact NH1-OD2 3.33Å; R284-D334 IonicContact NH2-OD2 2.84Å; D334-G336 VanDerWaalsContact C-N 3.35Å; D334-G336 PolarHBondContact O-N 2.84Å | ||
| 335 | Q | 42.7 | Very low | 79.7 | Confident | 184 Ų | 184 | 99.8 Ų | 99.8 | 86% | 0.86 | 58% | 0.578 | S | S | * | * | trans | -94.2 | 78.2 | 163.9 | -70.3 | -161.7 | 13.8 | 0 | 0 | 107.3 | T333 | T333-Q335 PolarHBondContact O-N 2.92Š| ||
| 336 | G | 32.4 | Very low | 78.1 | Confident | 145 Ų | 145 | 103.7 Ų | 103.7 | 100% | 1.495 | 60% | 0.599 | S | S | * | * | trans | -154.4 | 0 | 171.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | D334 | D334-G336 VanDerWaalsContact C-N 3.35Å; D334-G336 PolarHBondContact O-N 2.84Å |
Retrieved 336 of 336 residues in 462.9 ms
(Link to these results)