| 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 | 42.3 | Very low | 47.5 | Very low | 235 Ų | 235 | 149.3 Ų | 149.3 | 100% | 1.158 | 79% | 0.792 | S | S | * | * | 0 | 109 | 0 | -79.9 | -176.3 | 156.2 | 0 | 0 | 107.2 | |||||
| 2 | P | 41.7 | Very low | 48.6 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 138.7 | -179.6 | 32.2 | -28.4 | 0 | 0 | 0 | 110.4 | ||
| 3 | L | 39 | Very low | 49.9 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 136.4 | -179.3 | -66.7 | 157 | 0 | 0 | 0 | 110.6 | ||
| 4 | I | 46.6 | Very low | 51.3 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -83 | 128.7 | 174.4 | -62.2 | 169.7 | 0 | 0 | 0 | 107.9 | ||
| 5 | P | 47.1 | Very low | 52.1 | Low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 153.3 | 177.2 | 0.8 | 16.8 | 0 | 0 | 0 | 112.1 | ||
| 6 | D | 44.5 | Very low | 53.3 | Low | 143 Ų | 143 | 129.4 Ų | 129.4 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 130.5 | -170.5 | -58.7 | -59.4 | 0 | 0 | 0 | 115.3 | E8 | D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact O-N 3.22Å |
| 7 | M | 50.1 | Low | 54.6 | Low | 142 Ų | 142 | 128.1 Ų | 128.1 | 70% | 0.7 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 2.3 | 178.8 | -76.7 | -170.4 | -60.7 | 0 | 0 | 114.6 | D9 | M7-D9 PolarHBondContact O-N 3.42Š|
| 8 | E | 49.2 | Very low | 55.3 | Low | 156 Ų | 156 | 128.8 Ų | 128.8 | 73% | 0.729 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.7 | -19.7 | -175.7 | -67.7 | -171.2 | 160.1 | 0 | 0 | 113.4 | D6 N12 | D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact O-N 3.22Å; E8-N12 PolarHBondContact O-ND2 3.42Å |
| 9 | D | 52.9 | Low | 56.4 | Low | 134 Ų | 134 | 128.2 Ų | 128.2 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.9 | -28.8 | -179.2 | -74.1 | -27.4 | 0 | 0 | 0 | 113.6 | M7 G13 | M7-D9 PolarHBondContact O-N 3.42Å; D9-G13 PolarHBondContact O-N 3.3Å; D9-G13 VanDerWaalsContact O-N 3.11Å |
| 10 | E | 51.7 | Low | 57.3 | Low | 156 Ų | 156 | 128.5 Ų | 128.5 | 73% | 0.729 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.3 | -37.7 | -177.3 | -74.3 | -165.7 | 161.5 | 0 | 0 | 113 | G13 V14 | E10-G13 PolarHBondContact O-N 3.29Å; E10-V14 PolarHBondContact O-N 3.43Å; E10-V14 VanDerWaalsContact O-N 3.16Å |
| 11 | V | 57.4 | Low | 58.2 | Low | 103 Ų | 103 | 127.6 Ų | 127.6 | 62% | 0.624 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.1 | -37.9 | 179.7 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | G13 V14 F15 | V11-G13 VanDerWaalsContact C-N 3.33Å; V11-V14 PolarHBondContact O-N 3.47Å; V11-F15 PolarHBondContact O-N 3.33Å |
| 12 | N | 60.8 | Low | 59.6 | Low | 99 Ų | 99 | 120.5 Ų | 120.5 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.2 | -37.1 | 172.9 | -73.2 | -44 | 0 | 0 | 0 | 111.4 | E8 V14 F15 D16 | E8-N12 PolarHBondContact O-ND2 3.42Å; N12-V14 PolarHBondContact O-N 3.34Å; N12-F15 PolarHBondContact O-N 3.43Å; N12-D16 PolarHBondContact O-N 3.24Å |
| 13 | G | 65.1 | Low | 61.3 | Low | 36 Ų | 36 | 116.5 Ų | 116.5 | 37% | 0.371 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.1 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D9 E10 V11 D16 L17 | D9-G13 PolarHBondContact O-N 3.3Å; D9-G13 VanDerWaalsContact O-N 3.11Å; E10-G13 PolarHBondContact O-N 3.29Å; V11-G13 VanDerWaalsContact C-N 3.33Å; G13-D16 PolarHBondContact O-N 3.4Å; G13-L17 WeakPolarHBondContact O-CB 3.2Å; G13-L17 PolarHBondContact O-N 3.09Å |
| 14 | V | 69.6 | Low | 63.1 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.4 | -39.3 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | E10 V11 N12 L17 W18 | E10-V14 PolarHBondContact O-N 3.43Å; E10-V14 VanDerWaalsContact O-N 3.16Å; V11-V14 PolarHBondContact O-N 3.47Å; N12-V14 PolarHBondContact O-N 3.34Å; V14-L17 PolarHBondContact O-N 3.23Å; V14-W18 PolarHBondContact O-N 3.43Å |
| 15 | F | 62.9 | Low | 64.3 | Low | 114 Ų | 114 | 113.7 Ų | 113.7 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.9 | -38.1 | 179.1 | -126.2 | -85.6 | 0 | 0 | 0 | 112.5 | V11 N12 W18 K19 | V11-F15 PolarHBondContact O-N 3.33Å; N12-F15 PolarHBondContact O-N 3.43Å; F15-W18 PolarHBondContact O-N 3.35Å; F15-K19 PolarHBondContact O-N 3.48Å |
| 16 | D | 71.9 | Confident | 65.4 | Low | 75 Ų | 75 | 113.8 Ų | 113.8 | 40% | 0.401 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.4 | -36.4 | 177.2 | -78.8 | -16.9 | 0 | 0 | 0 | 112.4 | N12 G13 W18 K19 Q20 | N12-D16 PolarHBondContact O-N 3.24Å; G13-D16 PolarHBondContact O-N 3.4Å; D16-W18 PolarHBondContact O-N 3.03Å; D16-K19 PolarHBondContact O-N 3.22Å; D16-K19 IonicContact OD1-NZ 3.43Å; D16-K19 PolarHBondContact OD1-NZ 2.9Å; D16-Q20 VanDerWaalsContact O-CG 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.32Å; D16-Q20 PolarHBondContact O-N 3.05Å |
| 17 | L | 75 | Confident | 66.3 | Low | 107 Ų | 107 | 113.8 Ų | 113.8 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.5 | -40.9 | 167.9 | -104.6 | 155.3 | 0 | 0 | 0 | 111.5 | G13 V14 Q20 L21 | G13-L17 WeakPolarHBondContact O-CB 3.2Å; G13-L17 PolarHBondContact O-N 3.09Å; V14-L17 PolarHBondContact O-N 3.23Å; L17-Q20 PolarHBondContact O-N 3.1Å; L17-L21 WeakPolarHBondContact O-CB 3.25Å; L17-L21 PolarHBondContact O-N 3.04Å |
| 18 | W | 67 | Low | 66.7 | Low | 141 Ų | 141 | 112.9 Ų | 112.9 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.6 | -42.7 | 178 | -171.1 | 84.2 | 0 | 0 | 0 | 112.7 | V14 F15 D16 Q20 L21 H22 | V14-W18 PolarHBondContact O-N 3.43Å; F15-W18 PolarHBondContact O-N 3.35Å; D16-W18 PolarHBondContact O-N 3.03Å; W18-Q20 VanDerWaalsContact C-N 3.34Å; W18-Q20 PolarHBondContact O-N 3.5Å; W18-L21 PolarHBondContact O-N 3.49Å; W18-H22 WeakPolarHBondContact O-CB 3.22Å; W18-H22 PolarHBondContact O-N 3.3Å |
| 19 | K | 76.2 | Confident | 66.8 | Low | 118 Ų | 118 | 108.4 Ų | 108.4 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.9 | -43.1 | 173.2 | -72.5 | 176.9 | -164.7 | 151.2 | 0 | 111.8 | F15 D16 H22 A23 | F15-K19 PolarHBondContact O-N 3.48Å; D16-K19 PolarHBondContact O-N 3.22Å; D16-K19 IonicContact OD1-NZ 3.43Å; D16-K19 PolarHBondContact OD1-NZ 2.9Å; K19-H22 PolarHBondContact O-N 3.16Å; K19-A23 PolarHBondContact O-N 2.7Å |
| 20 | Q | 75.7 | Confident | 66.5 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 178.1 | -71.8 | 177.6 | 23.3 | 0 | 0 | 111.7 | D16 L17 W18 H22 A23 K24 | D16-Q20 VanDerWaalsContact O-CG 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.32Å; D16-Q20 PolarHBondContact O-N 3.05Å; L17-Q20 PolarHBondContact O-N 3.1Å; W18-Q20 VanDerWaalsContact C-N 3.34Å; W18-Q20 PolarHBondContact O-N 3.5Å; Q20-H22 VanDerWaalsContact C-N 3.33Å; Q20-H22 PolarHBondContact O-N 3.29Å; Q20-A23 PolarHBondContact O-N 3.42Å; Q20-K24 WeakPolarHBondContact O-CB 3.37Å; Q20-K24 PolarHBondContact O-N 3.11Å |
| 21 | L | 76.4 | Confident | 66.5 | Low | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.6 | -38.4 | 176.8 | -116.8 | 140.7 | 0 | 0 | 0 | 112.1 | L17 W18 K24 K25 | L17-L21 WeakPolarHBondContact O-CB 3.25Å; L17-L21 PolarHBondContact O-N 3.04Å; W18-L21 PolarHBondContact O-N 3.49Å; L21-K24 PolarHBondContact O-N 3.04Å; L21-K25 PolarHBondContact O-N 3.36Å; L21-K25 VanDerWaalsContact O-N 3.1Å |
| 22 | H | 70.6 | Confident | 65.9 | Low | 85 Ų | 85 | 101 Ų | 101 | 39% | 0.394 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 177.6 | -161.3 | -83.2 | 0 | 0 | 0 | 112.3 | W18 K19 Q20 K24 K25 L26 | W18-H22 WeakPolarHBondContact O-CB 3.22Å; W18-H22 PolarHBondContact O-N 3.3Å; K19-H22 PolarHBondContact O-N 3.16Å; Q20-H22 VanDerWaalsContact C-N 3.33Å; Q20-H22 PolarHBondContact O-N 3.29Å; H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.46Å; H22-K25 PolarHBondContact O-N 3.01Å; H22-L26 PolarHBondContact O-N 3.49Å; H22-L26 VanDerWaalsContact O-N 3.1Å |
| 23 | A | 78.7 | Confident | 65 | Low | 50 Ų | 50 | 101.1 Ų | 101.1 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K19 Q20 L26 Q27 | K19-A23 PolarHBondContact O-N 2.7Å; Q20-A23 PolarHBondContact O-N 3.42Å; A23-L26 PolarHBondContact O-N 3.39Å; A23-Q27 PolarHBondContact O-N 3.03Å; A23-Q27 VanDerWaalsContact O-N 3.11Å |
| 24 | K | 76.4 | Confident | 63.9 | Low | 137 Ų | 137 | 106.1 Ų | 106.1 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.1 | -37 | 178.3 | -151.2 | 175.6 | -173.5 | 178.6 | 0 | 112.5 | Q20 L21 H22 Q27 Q28 | Q20-K24 WeakPolarHBondContact O-CB 3.37Å; Q20-K24 PolarHBondContact O-N 3.11Å; L21-K24 PolarHBondContact O-N 3.04Å; H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.46Å; K24-Q27 PolarHBondContact O-N 3.48Å; K24-Q28 WeakPolarHBondContact O-CG 3.46Å; K24-Q28 PolarHBondContact O-N 3.35Å; K24-Q28 VanDerWaalsContact O-N 3.13Å |
| 25 | K | 71 | Confident | 62.5 | Low | 132 Ų | 132 | 105.3 Ų | 105.3 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.9 | -38.2 | 174.3 | -99.8 | -171.1 | 173.3 | -173 | 0 | 113 | L21 H22 Q28 A29 | L21-K25 PolarHBondContact O-N 3.36Å; L21-K25 VanDerWaalsContact O-N 3.1Å; H22-K25 PolarHBondContact O-N 3.01Å; K25-Q28 PolarHBondContact O-N 3.43Å; K25-A29 PolarHBondContact O-N 3.28Å |
| 26 | L | 70.6 | Confident | 61.4 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.6 | -38.1 | 175.4 | -79.5 | 162.4 | 0 | 0 | 0 | 112.1 | H22 A23 A29 G30 | H22-L26 PolarHBondContact O-N 3.49Å; H22-L26 VanDerWaalsContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3.39Å; L26-A29 PolarHBondContact O-N 3.03Å; L26-G30 PolarHBondContact O-N 2.74Å |
| 27 | Q | 63.5 | Low | 59.9 | Low | 143 Ų | 143 | 113.2 Ų | 113.2 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.9 | -39.8 | 174.5 | -73.7 | 178.4 | -9.1 | 0 | 0 | 112.4 | A23 K24 G30 T31 | A23-Q27 PolarHBondContact O-N 3.03Å; A23-Q27 VanDerWaalsContact O-N 3.11Å; K24-Q27 PolarHBondContact O-N 3.48Å; Q27-G30 PolarHBondContact O-N 3.32Å; Q27-T31 PolarHBondContact O-OG1 2.75Å |
| 28 | Q | 57.5 | Low | 58.3 | Low | 123 Ų | 123 | 119.7 Ų | 119.7 | 58% | 0.575 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.5 | -32 | 178.2 | -73.4 | 179.3 | -9.6 | 0 | 0 | 113.3 | K24 K25 G30 T31 | K24-Q28 WeakPolarHBondContact O-CG 3.46Å; K24-Q28 PolarHBondContact O-N 3.35Å; K24-Q28 VanDerWaalsContact O-N 3.13Å; K25-Q28 PolarHBondContact O-N 3.43Å; Q28-G30 VanDerWaalsContact C-N 3.35Å; Q28-T31 PolarHBondContact O-OG1 3.03Å |
| 29 | A | 52.2 | Low | 57.4 | Low | 62 Ų | 62 | 117.2 Ų | 117.2 | 51% | 0.512 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.1 | -26.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K25 L26 | K25-A29 PolarHBondContact O-N 3.28Å; L26-A29 PolarHBondContact O-N 3.03Å |
| 30 | G | 47.6 | Very low | 55.9 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 62% | 0.619 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.1 | -18.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | L26 Q27 Q28 | L26-G30 PolarHBondContact O-N 2.74Å; Q27-G30 PolarHBondContact O-N 3.32Å; Q28-G30 VanDerWaalsContact C-N 3.35Å |
| 31 | T | 50.7 | Low | 54.5 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -101 | -7.2 | -175.5 | 47.8 | 0 | 0 | 0 | 0 | 114.8 | Q27 Q28 | Q27-T31 PolarHBondContact O-OG1 2.75Å; Q28-T31 PolarHBondContact O-OG1 3.03Å |
| 32 | S | 43.9 | Very low | 53.1 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -98.4 | 2.2 | -174.6 | 57.9 | 0 | 0 | 0 | 0 | 115.5 | T34 | S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 3.37Å |
| 33 | T | 41.9 | Very low | 51.8 | Low | 102 Ų | 102 | 111.2 Ų | 111.2 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -2.9 | -168.2 | -20.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 34 | T | 42.8 | Very low | 50.1 | Low | 141 Ų | 141 | 116.2 Ų | 116.2 | 87% | 0.865 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 3.4 | -179.9 | 40.1 | 0 | 0 | 0 | 0 | 115 | S32 | S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 3.37Å |
| 35 | A | 40.6 | Very low | 49 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -117.9 | -4.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 36 | R | 38.7 | Very low | 47.8 | Very low | 178 Ų | 178 | 113.9 Ų | 113.9 | 67% | 0.672 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -101.1 | -9.3 | -167.7 | -151.6 | 166.8 | 178.3 | 156.8 | -1.2 | 115.3 | R38 | R36-R38 VanDerWaalsContact C-N 3.32Å; R36-R38 PolarHBondContact O-N 3.09Å |
| 37 | E | 41.1 | Very low | 46.6 | Very low | 178 Ų | 178 | 116.9 Ų | 116.9 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 2.7 | -177.2 | -72.1 | 179 | 154.5 | 0 | 0 | 115 | ||
| 38 | R | 40.5 | Very low | 45.8 | Very low | 243 Ų | 243 | 112.9 Ų | 112.9 | 92% | 0.917 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -3.6 | -179.5 | -77.7 | -176.6 | 176.7 | 164.9 | -0.2 | 115.4 | R36 | R36-R38 VanDerWaalsContact C-N 3.32Å; R36-R38 PolarHBondContact O-N 3.09Å |
| 39 | T | 49.8 | Very low | 45.6 | Very low | 88 Ų | 88 | 111 Ų | 111 | 54% | 0.54 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -107.3 | -15.8 | -176.3 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 40 | D | 44 | Very low | 45.4 | Very low | 96 Ų | 96 | 115.6 Ų | 115.6 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -81.6 | -22.2 | -168.6 | -67.4 | -10.3 | 0 | 0 | 0 | 113.2 | A42 | D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 2.72Å |
| 41 | S | 46.5 | Very low | 45.2 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 69% | 0.685 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.8 | -12.1 | 177.6 | -51.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 42 | A | 46.2 | Very low | 45.1 | Very low | 75 Ų | 75 | 120.4 Ų | 120.4 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -93.3 | -28.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D40 | D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 2.72Å |
| 43 | A | 44.4 | Very low | 45.3 | Very low | 52 Ų | 52 | 122.6 Ų | 122.6 | 43% | 0.43 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -80 | -29 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V45 W47 | A43-V45 VanDerWaalsContact C-N 3.34Å; A43-W47 PolarHBondContact O-N 3.05Å |
| 44 | E | 43.3 | Very low | 45.6 | Very low | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.724 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.4 | -30.3 | 176.8 | -96.8 | -176.9 | 150.5 | 0 | 0 | 113.2 | A48 | E44-A48 PolarHBondContact O-N 3.45Å |
| 45 | V | 52.3 | Low | 45.4 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.7 | -34.1 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | A43 | A43-V45 VanDerWaalsContact C-N 3.34Å |
| 46 | E | 46.5 | Very low | 45.7 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.1 | -32.1 | -180 | -160.7 | -179.4 | 171.5 | 0 | 0 | 112.8 | R50 | E46-R50 PolarHBondContact O-N 3.38Å |
| 47 | W | 44.4 | Very low | 46 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 67% | 0.67 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.5 | -33.7 | 175.5 | -101.5 | 61.9 | 0 | 0 | 0 | 113.4 | A43 R50 | A43-W47 PolarHBondContact O-N 3.05Å; W47-R50 PolarHBondContact O-N 3.3Å |
| 48 | A | 47.9 | Very low | 45.9 | Very low | 59 Ų | 59 | 128 Ų | 128 | 49% | 0.488 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.1 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E44 R50 | E44-A48 PolarHBondContact O-N 3.45Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 3.07Å |
| 49 | S | 52 | Low | 46 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.4 | -21.6 | 177.5 | -68.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 50 | R | 48.2 | Very low | 45.6 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 60% | 0.6 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.9 | -36.8 | 176.5 | -83.1 | -174.6 | 174.9 | 159.3 | 5.8 | 113.5 | E46 W47 A48 D52 N53 E54 | E46-R50 PolarHBondContact O-N 3.38Å; W47-R50 PolarHBondContact O-N 3.3Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 3.07Å; R50-D52 VanDerWaalsContact C-N 3.3Å; R50-D52 PolarHBondContact O-N 3.07Å; R50-N53 PolarHBondContact O-N 3.02Å; R50-E54 PolarHBondContact O-N 3.25Å |
| 51 | R | 43.5 | Very low | 45.3 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.4 | -31.7 | 177.3 | -83.9 | -167.9 | -158.4 | 157.7 | 6.9 | 113.7 | N53 R55 | R51-N53 VanDerWaalsContact C-N 3.32Å; R51-R55 PolarHBondContact O-N 3.03Å |
| 52 | D | 48.4 | Very low | 44.6 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 56% | 0.561 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.1 | -18.6 | -179 | -77.2 | -20.8 | 0 | 0 | 0 | 113.2 | R50 | R50-D52 VanDerWaalsContact C-N 3.3Å; R50-D52 PolarHBondContact O-N 3.07Å |
| 53 | N | 49 | Very low | 43.9 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83 | -37.2 | 172.6 | -95.5 | -2.7 | 0 | 0 | 0 | 112.5 | R50 R51 R55 K56 | R50-N53 PolarHBondContact O-N 3.02Å; R51-N53 VanDerWaalsContact C-N 3.32Å; N53-R55 PolarHBondContact O-N 2.95Å; N53-K56 PolarHBondContact O-N 3.49Å |
| 54 | E | 46.5 | Very low | 43.6 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.9 | -32.6 | 178.8 | -74.5 | 175.5 | 162.6 | 0 | 0 | 112.6 | R50 K56 E57 | R50-E54 PolarHBondContact O-N 3.25Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.84Å; E54-E57 PolarHBondContact O-N 3.26Å |
| 55 | R | 39.9 | Very low | 43.2 | Very low | 199 Ų | 199 | 132.6 Ų | 132.6 | 75% | 0.751 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.7 | -18.1 | 173.9 | -96.1 | -176.3 | -168.3 | 174.5 | 4.3 | 114.9 | R51 N53 | R51-R55 PolarHBondContact O-N 3.03Å; N53-R55 PolarHBondContact O-N 2.95Å |
| 56 | K | 46.2 | Very low | 42.4 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 68% | 0.683 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -91.3 | -17.4 | 178.6 | -73.7 | -178.5 | -179.9 | 173.5 | 0 | 113.1 | N53 E54 | N53-K56 PolarHBondContact O-N 3.49Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.84Å |
| 57 | E | 45 | Very low | 41.6 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -87.2 | -30 | 176.6 | -72.1 | -175.5 | 161 | 0 | 0 | 112.6 | E54 T59 S60 | E54-E57 PolarHBondContact O-N 3.26Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.23Å; E57-S60 PolarHBondContact O-OG 2.83Å |
| 58 | E | 40.4 | Very low | 41.1 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -8.7 | -177.8 | -68.1 | -176.2 | 158.7 | 0 | 0 | 115 | ||
| 59 | T | 41.6 | Very low | 40.4 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 4.8 | 180 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | E57 | E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.23Å |
| 60 | S | 40.7 | Very low | 39.4 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -114.2 | 3.8 | -175.9 | 62.1 | 0 | 0 | 0 | 0 | 116 | E57 | E57-S60 PolarHBondContact O-OG 2.83Š|
| 61 | T | 39.1 | Very low | 38.6 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | -118.5 | 67.1 | -178.4 | -31.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 62 | S | 30.3 | Very low | 37.9 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -122.7 | 138.8 | 163.2 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 63 | S | 32.1 | Very low | 36.8 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 99.3 | 102.3 | 168.5 | -41.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 64 | K | 38.6 | Very low | 35.7 | Very low | 194 Ų | 194 | 148 Ų | 148 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 153.8 | 140.3 | 153 | -86.3 | 164.8 | -172.7 | -177.1 | 0 | 106.3 | ||||
| 65 | Q | 35 | Very low | 35 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -177.3 | 142.7 | -8.5 | -121.5 | 177 | -55.8 | 0 | 0 | 104.5 | ||||
| 66 | L | 34.9 | Very low | 34.3 | Very low | 134 Ų | 134 | 148 Ų | 148 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | 72.1 | 105.4 | 141.4 | -61.1 | 165.3 | 0 | 0 | 0 | 121.5 | ||||
| 67 | D | 29.7 | Very low | 33.4 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | 49.9 | 127.5 | 115.3 | -74.2 | -19.9 | 0 | 0 | 0 | 123.1 | |||||
| 68 | S | 33.9 | Very low | 32.4 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 110.8 | 118.4 | 132.6 | 82.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 69 | S | 32.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 88.8 | 142.9 | 135.1 | -50.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 70 | F | 32.1 | Very low | 31.1 | Very low | 218 Ų | 218 | 149.7 Ų | 149.7 | 96% | 0.956 | 78% | 0.781 | S | S | * | * | trans | 75.3 | 126.4 | 173.2 | -84.4 | -102.9 | 0 | 0 | 0 | 116.6 | ||||
| 71 | G | 30.5 | Very low | 30.4 | Very low | 70 Ų | 70 | 151.6 Ų | 151.6 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | 159.8 | 133.8 | 10.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 72 | K | 28.6 | Very low | 29.9 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -45.6 | 140 | -176.3 | -70 | 169.7 | 171.4 | 176.2 | 0 | 115.4 | ||||
| 73 | R | 27 | Very low | 29.9 | Very low | 242 Ų | 242 | 155.4 Ų | 155.4 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -159 | 105.3 | 137.2 | -118.9 | 173.9 | -179 | 168.6 | 0.4 | 111.5 | ||||
| 74 | E | 25.5 | Very low | 29.9 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -71.4 | 141.5 | 160.1 | -68.6 | 174.6 | 144 | 0 | 0 | 109.5 | ||||
| 75 | Q | 31.4 | Very low | 29.5 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -136.2 | 112.2 | 151.3 | -77 | -163.7 | -8.2 | 0 | 0 | 109.2 | ||||
| 76 | N | 26.1 | Very low | 29.4 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 141.8 | 166.9 | -71.6 | -42.5 | 0 | 0 | 0 | 110.2 | ||||
| 77 | F | 26.9 | Very low | 29.2 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -124.5 | 100 | 161.4 | -140.9 | -94.3 | 0 | 0 | 0 | 108.7 | V79 | F77-V79 HydrophobicContact CD1-CG2 3.76Å; F77-V79 HydrophobicContact CE1-CG2 3.79Å | ||
| 78 | E | 24.2 | Very low | 29.3 | Very low | 150 Ų | 150 | 152 Ų | 152 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -102 | 124.8 | 172 | -173 | -177.8 | 167.9 | 0 | 0 | 107.6 | K80 | E78-K80 WeakPolarHBondContact OE1-CE 3.5Å; E78-K80 IonicContact OE1-NZ 3.84Å | ||
| 79 | V | 27.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -112.9 | 111.9 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | F77 | F77-V79 HydrophobicContact CD1-CG2 3.76Å; F77-V79 HydrophobicContact CE1-CG2 3.79Å | ||
| 80 | K | 25.5 | Very low | 29.2 | Very low | 160 Ų | 160 | 155.9 Ų | 155.9 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94 | 144.6 | 169.1 | -75.3 | 178.9 | 177.9 | 167.3 | 0 | 110.5 | E78 | E78-K80 WeakPolarHBondContact OE1-CE 3.5Å; E78-K80 IonicContact OE1-NZ 3.84Å |
| 81 | P | 27.1 | Very low | 29.1 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 135.5 | 177.5 | 33.8 | -30.1 | 0 | 0 | 0 | 111.2 | ||
| 82 | S | 28.2 | Very low | 29.1 | Very low | 128 Ų | 128 | 159 Ų | 159 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93 | 130.8 | 170.5 | -71.7 | 0 | 0 | 0 | 0 | 111 | ||
| 83 | K | 29 | Very low | 29.3 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 140.1 | 160.9 | -69.7 | 177.2 | 175.7 | 178.3 | 0 | 108.5 | ||
| 84 | N | 32.1 | Very low | 29.5 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -176 | 114.4 | 145.1 | -93.1 | -10.9 | 0 | 0 | 0 | 107.7 | ||||
| 85 | I | 30.7 | Very low | 29.6 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | 92.8 | 137 | 80.2 | -79.3 | 175.7 | 0 | 0 | 0 | 110.6 | |||||
| 86 | N | 33.3 | Very low | 29.5 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 87.6 | 137.4 | 172.8 | -59.8 | -18.1 | 0 | 0 | 0 | 116.4 | ||||
| 87 | D | 31.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 147 Ų | 147 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | cis | -175.2 | 150.9 | -15.7 | -121.9 | -9 | 0 | 0 | 0 | 106.9 | ||||
| 88 | N | 32.2 | Very low | 29.4 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 73.9 | 132.2 | 147.7 | -63.6 | -38.6 | 0 | 0 | 0 | 122.3 | ||||
| 89 | L | 32.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 107.2 | 105 | 137.6 | -82.6 | 149.6 | 0 | 0 | 0 | 119.7 | ||||
| 90 | V | 31.3 | Very low | 30 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 104.9 | 98.1 | 144.4 | -163 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 91 | R | 30.2 | Very low | 30.2 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -18.1 | 159 | 154.9 | -66.5 | -178.9 | -177.2 | -161.7 | 0.9 | 121 | ||||
| 92 | P | 29.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -93.5 | 151.3 | -178.1 | 38.7 | -33.1 | 0 | 0 | 0 | 113.5 | ||||
| 93 | L | 34 | Very low | 30.8 | Very low | 181 Ų | 181 | 143 Ų | 143 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -142.8 | 127.5 | 161 | -67.4 | 172.3 | 0 | 0 | 0 | 104.4 | ||||
| 94 | G | 31.1 | Very low | 30.8 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 124.8 | 118.6 | 51.1 | 0 | 0 | 0 | 0 | 0 | 104.6 | |||||
| 95 | G | 26.7 | Very low | 30.7 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -63.4 | 158.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 96 | F | 29.3 | Very low | 30.7 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -141 | 139.8 | 159.4 | -100.1 | -82.8 | 0 | 0 | 0 | 112 | ||||
| 97 | Q | 29.2 | Very low | 30.5 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 158.6 | -171.3 | -69.7 | 156.7 | -50.6 | 0 | 0 | 113.3 | ||||
| 98 | C | 22.9 | Very low | 30.7 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | -50.9 | 135.1 | 154.8 | -81.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 99 | A | 31.7 | Very low | 30.8 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -127.6 | 111.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 100 | S | 33.1 | Very low | 31 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 83% | 0.833 | S | S | * | * | trans | -68.5 | 151.6 | 149.7 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 101 | E | 29.2 | Very low | 31.3 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | 72.9 | 109 | 160 | -63.2 | 177.1 | 176.1 | 0 | 0 | 119.9 | ||||
| 102 | L | 34 | Very low | 31.5 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -143.7 | 98.1 | 144.8 | -76.8 | 174.2 | 0 | 0 | 0 | 106.5 | ||||
| 103 | T | 33.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 83% | 0.834 | S | S | * | * | 52.7 | 110.9 | 86.3 | 66.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 104 | G | 28.9 | Very low | 32.1 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | 81.2 | 131.3 | 109.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 105 | S | 30.3 | Very low | 32.3 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | 95.8 | 103.6 | 152.1 | -157.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 106 | Y | 31.7 | Very low | 32.8 | Very low | 245 Ų | 245 | 149.5 Ų | 149.5 | 96% | 0.961 | 83% | 0.83 | S | S | * | * | trans | -146.1 | 102.4 | 144.4 | -94.7 | -80.7 | 0 | 0 | 0 | 108.8 | ||||
| 107 | E | 28.4 | Very low | 33.4 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -140.6 | 117.1 | 165.6 | -153.9 | 166.7 | -147.5 | 0 | 0 | 108 | ||||
| 108 | S | 34.6 | Very low | 33.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -165.1 | 118.1 | 163.3 | -87 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 109 | A | 34.1 | Very low | 34.4 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | 73.9 | 102.4 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 110 | R | 37.4 | Very low | 34.6 | Very low | 255 Ų | 255 | 143 Ų | 143 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | trans | -137.7 | 129.6 | 132.1 | -77 | -164.4 | 173.9 | 168 | -1.7 | 112 | ||||
| 111 | K | 36.7 | Very low | 34.7 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -53.3 | 132.3 | -179.2 | -71.4 | 169.3 | 172.3 | 178.2 | 0 | 113.1 | ||||
| 112 | A | 35 | Very low | 35.2 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | 83.4 | 114 | 90.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 113 | E | 38.8 | Very low | 35.2 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | 170.4 | 131 | 122.9 | -90.3 | -169.5 | 170.5 | 0 | 0 | 111.4 | |||||
| 114 | H | 37.5 | Very low | 35.4 | Very low | 178 Ų | 178 | 150 Ų | 150 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | 37.9 | 131.2 | 149.5 | -52.1 | 86.8 | 0 | 0 | 0 | 119.5 | ||||
| 115 | G | 35.5 | Very low | 35.9 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | cis | 142.7 | 123.8 | 20.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 116 | N | 37.5 | Very low | 36.3 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | 76.1 | 119.4 | 154.1 | -96.9 | -3.9 | 0 | 0 | 0 | 124.4 | ||||
| 117 | I | 41.6 | Very low | 36.5 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | 79.2 | 123.9 | 127.2 | -61.6 | 163.2 | 0 | 0 | 0 | 119.6 | |||||
| 118 | G | 36.3 | Very low | 36.9 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 148 | 94 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 119 | N | 35.6 | Very low | 36.8 | Very low | 178 Ų | 178 | 143 Ų | 143 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | trans | -39.2 | 149.5 | 168.2 | -79.7 | -34.9 | 0 | 0 | 0 | 117.8 | ||||
| 120 | G | 36.2 | Very low | 36.7 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 171.9 | 69.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 121 | R | 35.1 | Very low | 36.6 | Very low | 232 Ų | 232 | 141.5 Ų | 141.5 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | 37.5 | 118.9 | 130.9 | -113.1 | 174.7 | -174.6 | 169.6 | 2.4 | 121.2 | ||||
| 122 | K | 40.1 | Very low | 36.3 | Very low | 180 Ų | 180 | 135 Ų | 135 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | 137.4 | 111.4 | 119.9 | -76.9 | 177.5 | -178.1 | -179.6 | 0 | 116 | |||||
| 123 | N | 33.6 | Very low | 36.1 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | 20.6 | 129.6 | 137.8 | -54.7 | -13.5 | 0 | 0 | 0 | 120.9 | ||||
| 124 | V | 37.7 | Very low | 35.7 | Very low | 147 Ų | 147 | 141 Ų | 141 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | -167 | 139.2 | 112.9 | 171.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 125 | A | 40.1 | Very low | 35.4 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -105.6 | -166.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 126 | P | 38.3 | Very low | 35 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | -131.7 | 158 | -78.6 | 38.4 | -22.4 | 0 | 0 | 0 | 114.1 | |||||
| 127 | T | 36.5 | Very low | 34.4 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -163.5 | 142.1 | 163.7 | 51.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 128 | S | 36.9 | Very low | 33.7 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | cis | -172.8 | 150.7 | 2.4 | 40.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 129 | D | 32.4 | Very low | 33.3 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | 67.3 | 88.1 | 151.5 | -55.3 | -22.3 | 0 | 0 | 0 | 121.5 | ||||
| 130 | S | 31.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -97.9 | 99.5 | 152.9 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | G132 | S130-G132 PolarHBondContact O-N 2.93Š| ||
| 131 | Q | 35.8 | Very low | 32.4 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -83.2 | 94.6 | 164.3 | -74.6 | -166.4 | 0.3 | 0 | 0 | 109.8 | ||||
| 132 | G | 30.9 | Very low | 32.1 | Very low | 70 Ų | 70 | 150.7 Ų | 150.7 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 117.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | S130 K134 | S130-G132 PolarHBondContact O-N 2.93Å; G132-K134 PolarHBondContact O-N 2.93Å |
| 133 | F | 29.6 | Very low | 31.6 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 116.6 | 175.6 | -153.4 | -94.2 | 0 | 0 | 0 | 110.2 | ||
| 134 | K | 31.7 | Very low | 31.3 | Very low | 190 Ų | 190 | 149.8 Ų | 149.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 124.8 | 171.2 | -71.1 | -177.7 | 179.2 | 178.7 | 0 | 109.4 | G132 | G132-K134 PolarHBondContact O-N 2.93Š|
| 135 | P | 31.7 | Very low | 31.3 | Very low | 117 Ų | 117 | 149 Ų | 149 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134.3 | 172.8 | 27.4 | -29.5 | 0 | 0 | 0 | 110.4 | S137 | P135-S137 PolarHBondContact O-N 3.04Š|
| 136 | F | 27 | Very low | 31.1 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.3 | 169.5 | -105.9 | -96.5 | 0 | 0 | 0 | 109.8 | Y138 | F136-Y138 HydrophobicContact CD1-CE2 4.42Š|
| 137 | S | 24.7 | Very low | 30.8 | Very low | 111 Ų | 111 | 153.9 Ų | 153.9 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 118.8 | 168.8 | 76 | 0 | 0 | 0 | 0 | 110.1 | P135 | P135-S137 PolarHBondContact O-N 3.04Š|
| 138 | Y | 26.9 | Very low | 30.8 | Very low | 194 Ų | 194 | 154.3 Ų | 154.3 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | trans | -91.5 | 110.6 | 161.6 | -78.3 | -86.7 | 0 | 0 | 0 | 108.6 | F136 | F136-Y138 HydrophobicContact CD1-CE2 4.42Š| ||
| 139 | A | 27.2 | Very low | 30.5 | Very low | 92 Ų | 92 | 153.3 Ų | 153.3 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -89.2 | 104.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K141 | A139-K141 PolarHBondContact O-N 3.28Š| ||
| 140 | W | 24.7 | Very low | 30.5 | Very low | 231 Ų | 231 | 149.7 Ų | 149.7 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -79.3 | 101.1 | 164.5 | -87.2 | 80 | 0 | 0 | 0 | 109 | Q142 | W140-Q142 PolarHBondContact O-N 3.34Š| ||
| 141 | K | 27.5 | Very low | 30.6 | Very low | 205 Ų | 205 | 148 Ų | 148 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | -82.3 | 98 | 164.7 | -95.7 | -177.7 | 175.2 | 176.3 | 0 | 108.6 | A139 | A139-K141 PolarHBondContact O-N 3.28Š| ||
| 142 | Q | 29.9 | Very low | 30.5 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -83.2 | 113.7 | 161 | -111.1 | -173.8 | -7.6 | 0 | 0 | 108.9 | W140 | W140-Q142 PolarHBondContact O-N 3.34Š| ||
| 143 | K | 28.6 | Very low | 30.6 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -89.5 | 108.8 | 176.1 | -151.8 | 178.4 | -172.8 | -174.9 | 0 | 107.3 | ||||
| 144 | C | 28.9 | Very low | 30.9 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 129 | 167.6 | -64.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 145 | P | 36.8 | Very low | 31 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 121.1 | 165.5 | 1.6 | 17 | 0 | 0 | 0 | 109.3 | ||
| 146 | S | 36.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 147 | 168.4 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 147 | E | 30.4 | Very low | 31.3 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 136.8 | 175.1 | -56.5 | 170.9 | 149.9 | 0 | 0 | 114.8 | ||
| 148 | V | 36.6 | Very low | 31.7 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -166.2 | 115 | 136.5 | -171.1 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 149 | G | 31.8 | Very low | 32.1 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | 107 | 119.1 | 58.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 150 | G | 31.9 | Very low | 32.4 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 121.4 | 92.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 151 | A | 33.4 | Very low | 32.8 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | 56.7 | 125.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 152 | N | 34.2 | Very low | 33 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 68.5 | 147 | 137.8 | -62.5 | -1.1 | 0 | 0 | 0 | 119.3 | ||||
| 153 | E | 32.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | cis | 177.8 | 160.9 | -15.4 | -165 | -166.5 | 163.6 | 0 | 0 | 104.2 | ||||
| 154 | I | 35.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | trans | 89.6 | 94.9 | 153.4 | -47.7 | -176.1 | 0 | 0 | 0 | 120.8 | ||||
| 155 | V | 33.7 | Very low | 33.6 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | 65.3 | 136.1 | 114 | 178.2 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 156 | A | 34.5 | Very low | 33.5 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | 76.5 | 146.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 157 | K | 31.3 | Very low | 33.3 | Very low | 189 Ų | 189 | 130.5 Ų | 130.5 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | cis | 177.2 | 158.5 | -12 | -124.9 | 178.8 | 179.5 | 177.8 | 0 | 103.8 | ||||
| 158 | S | 33.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 67 | 147.1 | 154.9 | 34.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 159 | T | 34.6 | Very low | 32.9 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | cis | -178.3 | 151.2 | -7.8 | 22.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 160 | E | 34.2 | Very low | 32.9 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | 65.4 | 152.5 | 151.3 | -71.1 | -177.6 | 151.8 | 0 | 0 | 118.5 | ||||
| 161 | K | 32.2 | Very low | 32.8 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | cis | -173.2 | 152.2 | -22.2 | -120.8 | 176 | -177.8 | 164.3 | 0 | 103.3 | ||||
| 162 | A | 32.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | 77.7 | 121.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 163 | D | 32.7 | Very low | 32.6 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 74.9 | 103.5 | 138.7 | -49.1 | -18.3 | 0 | 0 | 0 | 119.2 | ||||
| 164 | N | 35.1 | Very low | 32.5 | Very low | 166 Ų | 166 | 148 Ų | 148 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | -173.2 | 135.3 | 106 | -88.9 | -40.6 | 0 | 0 | 0 | 112 | |||||
| 165 | A | 31.6 | Very low | 32.3 | Very low | 88 Ų | 88 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -70.3 | 164.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 166 | V | 34.3 | Very low | 32.2 | Very low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 95.1 | 121.6 | 164.2 | -172.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 167 | E | 32.5 | Very low | 31.9 | Very low | 160 Ų | 160 | 149 Ų | 149 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 97.3 | 108.4 | 158.6 | -84.4 | -176.7 | 157.6 | 0 | 0 | 121.1 | ||||
| 168 | N | 30.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | 92.3 | 93.6 | 128.2 | -68.6 | -32.6 | 0 | 0 | 0 | 118.8 | |||||
| 169 | K | 29 | Very low | 31.7 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | 52.6 | 76.7 | 122.6 | -69.2 | 175.7 | 175 | 171.2 | 0 | 115.3 | |||||
| 170 | K | 32.1 | Very low | 31.6 | Very low | 207 Ų | 207 | 152.5 Ų | 152.5 | 90% | 0.9 | 80% | 0.796 | S | S | * | * | trans | -166.3 | 27.2 | 158.2 | -111.8 | 161.6 | -170.8 | -176.5 | 0 | 117.6 | ||||
| 171 | L | 30.1 | Very low | 31.3 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 98% | 0.979 | 78% | 0.782 | S | S | * | * | trans | -123.7 | 69.3 | 174.9 | -94.2 | 125.7 | 0 | 0 | 0 | 111.7 | ||||
| 172 | A | 32.8 | Very low | 31.3 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -138.6 | 10.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 173 | Y | 29.6 | Very low | 31.2 | Very low | 223 Ų | 223 | 149.6 Ų | 149.6 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -131.4 | 44 | -169.8 | -115.6 | -87.4 | 0 | 0 | 0 | 113.9 | ||
| 174 | R | 30.6 | Very low | 31.2 | Very low | 237 Ų | 237 | 147.6 Ų | 147.6 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -141.7 | 11.5 | 174.9 | -117.9 | -177.7 | 134.1 | 103.8 | 0.3 | 117.2 | ||
| 175 | N | 31.9 | Very low | 30.8 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -119.6 | 12.7 | 174.2 | -77.8 | -17.4 | 0 | 0 | 0 | 114.3 | C177 | N175-C177 VanDerWaalsContact C-N 3.3Å; N175-C177 PolarHBondContact O-N 3.47Å |
| 176 | A | 30.4 | Very low | 30.8 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -86.9 | 15.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 177 | C | 28.5 | Very low | 30.5 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -134 | 64.5 | 174 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | N175 | N175-C177 VanDerWaalsContact C-N 3.3Å; N175-C177 PolarHBondContact O-N 3.47Å | ||
| 178 | R | 29.2 | Very low | 30.3 | Very low | 221 Ų | 221 | 147 Ų | 147 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -130.5 | 131.5 | 159.1 | -77.4 | -171.1 | 176.7 | -156.2 | -1.3 | 108 | I180 | R178-I180 PolarHBondContact O-N 2.99Š|
| 179 | S | 31.6 | Very low | 30.3 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -37.6 | 118.3 | -177.8 | 48.3 | 0 | 0 | 0 | 0 | 113.2 | P181 | S179-P181 VanDerWaalsContact O-CD 3.32Å; S179-P181 WeakPolarHBondContact O-CD 3.43Å | ||
| 180 | I | 31.3 | Very low | 30.3 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 116 | 167.6 | -60.7 | 168 | 0 | 0 | 0 | 106.5 | R178 S182 | R178-I180 PolarHBondContact O-N 2.99Å; I180-S182 PolarHBondContact O-N 2.96Å | ||
| 181 | P | 28.9 | Very low | 30.6 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 47% | 0.474 | 78% | 0.778 | S | S | . | * | trans | -66.2 | 126.5 | 164.1 | -6.9 | 23.8 | 0 | 0 | 0 | 106.6 | S179 F183 | S179-P181 VanDerWaalsContact O-CD 3.32Å; S179-P181 WeakPolarHBondContact O-CD 3.43Å; P181-F183 VanDerWaalsContact C-N 3.29Å; P181-F183 PolarHBondContact O-N 3.41Å | ||
| 182 | S | 32.4 | Very low | 30.8 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -62.5 | 91.9 | 174.3 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | I180 S184 | I180-S182 PolarHBondContact O-N 2.96Å; S182-S184 PolarHBondContact O-N 3.04Å | ||
| 183 | F | 30.1 | Very low | 30.9 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -68 | 98.2 | 170.3 | -115.1 | -93.5 | 0 | 0 | 0 | 108.1 | P181 M185 | P181-F183 VanDerWaalsContact C-N 3.29Å; P181-F183 PolarHBondContact O-N 3.41Å; F183-M185 VanDerWaalsContact C-N 3.35Å; F183-M185 PolarHBondContact O-N 2.97Å | ||
| 184 | S | 32.4 | Very low | 30.8 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -69.5 | 94.9 | 163.1 | 168.9 | 0 | 0 | 0 | 0 | 108.3 | S182 Y186 | S182-S184 PolarHBondContact O-N 3.04Å; S184-Y186 PolarHBondContact O-N 3.46Å | ||
| 185 | M | 27.4 | Very low | 31 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -70.9 | 72 | 170.7 | -78.8 | -108.5 | -83.9 | 0 | 0 | 111.2 | F183 | F183-M185 VanDerWaalsContact C-N 3.35Å; F183-M185 PolarHBondContact O-N 2.97Å | ||
| 186 | Y | 30.4 | Very low | 31 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 55% | 0.553 | 77% | 0.772 | S | S | * | * | trans | -137 | 83.7 | 166.4 | -73.9 | -81.9 | 0 | 0 | 0 | 110.9 | S184 R484 | S184-Y186 PolarHBondContact O-N 3.46Å; Y186-R484 VanDerWaalsContact OH-CZ 3.24Å; Y186-R484 PolarHBondContact OH-NE 2.75Å; Y186-R484 PolarHBondContact OH-NH2 2.97Å | ||
| 187 | S | 29.3 | Very low | 31 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -155.4 | 112.5 | 144.4 | -177 | 0 | 0 | 0 | 0 | 107 | C189 | S187-C189 PolarHBondContact O-N 3.33Š| ||
| 188 | C | 27.6 | Very low | 31.1 | Very low | 134 Ų | 134 | 143 Ų | 143 | 91% | 0.905 | 78% | 0.775 | S | S | * | * | trans | -74.8 | 71.2 | 170.4 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 189 | C | 30.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -121.2 | 110 | 166 | -76.1 | 0 | 0 | 0 | 0 | 108.8 | S187 K191 | S187-C189 PolarHBondContact O-N 3.33Å; C189-K191 PolarHBondContact O-N 3.34Å | ||
| 190 | K | 28.9 | Very low | 31.3 | Very low | 205 Ų | 205 | 144.3 Ų | 144.3 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -58 | 103 | 175.7 | -64.4 | 176 | 177.5 | 176.5 | 0 | 110.6 | ||||
| 191 | K | 37.9 | Very low | 31.8 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -148.7 | 117 | 151.2 | -67.5 | -169.1 | -177.5 | 174.9 | 0 | 109 | C189 | C189-K191 PolarHBondContact O-N 3.34Š| ||
| 192 | P | 34.4 | Very low | 32.2 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 131.6 | 173.7 | 29.6 | -29.1 | 0 | 0 | 0 | 109.5 | G194 | P192-G194 PolarHBondContact O-N 3.45Š| ||
| 193 | L | 35 | Very low | 32.5 | Very low | 175 Ų | 175 | 148 Ų | 148 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -58.8 | 128.8 | 166 | -80.8 | 161.6 | 0 | 0 | 0 | 109 | L195 | L193-L195 PolarHBondContact O-N 3.1Š| ||
| 194 | G | 28.1 | Very low | 33.1 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 114.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P192 | P192-G194 PolarHBondContact O-N 3.45Š| ||
| 195 | L | 34.8 | Very low | 33.4 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -133.6 | 106.2 | 150.7 | -135 | 97 | 0 | 0 | 0 | 107.1 | L193 | L193-L195 PolarHBondContact O-N 3.1Š| ||
| 196 | V | 32.8 | Very low | 33.6 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 19 | 106.5 | 153.5 | -166.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 197 | S | 29.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | 40.5 | 100.6 | 142.2 | -54 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 198 | R | 31.9 | Very low | 34 | Very low | 248 Ų | 248 | 151.3 Ų | 151.3 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | 172.7 | 125.5 | 127.2 | -94.7 | 163.7 | 176.4 | 179.7 | -0.5 | 109.8 | F200 | R198-F200 PolarHBondContact O-N 3.48Å; R198-F200 VanDerWaalsContact O-N 3.15Å | |||
| 199 | D | 33.1 | Very low | 34.2 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -56.5 | 112.4 | 178.7 | -64.7 | -52 | 0 | 0 | 0 | 111.8 | K201 | D199-K201 PolarHBondContact O-N 3.1Š| ||
| 200 | F | 31.8 | Very low | 34.3 | Very low | 183 Ų | 183 | 157 Ų | 157 | 80% | 0.803 | 82% | 0.818 | S | S | * | * | trans | -87.1 | 104.7 | 171.1 | -174.6 | -97.7 | 0 | 0 | 0 | 109.5 | R198 P202 | R198-F200 PolarHBondContact O-N 3.48Å; R198-F200 VanDerWaalsContact O-N 3.15Å; F200-P202 HydrophobicContact CE1-CB 4.44Å | ||
| 201 | K | 41.9 | Very low | 34.2 | Very low | 191 Ų | 191 | 154.9 Ų | 154.9 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 119 | 167.1 | -89.9 | -179.8 | 175.4 | 176 | 0 | 109.4 | D199 | D199-K201 PolarHBondContact O-N 3.1Š|
| 202 | P | 36.5 | Very low | 33.8 | Very low | 90 Ų | 90 | 150.9 Ų | 150.9 | 58% | 0.584 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 146.5 | 173.1 | 27.9 | -32 | 0 | 0 | 0 | 110.8 | F200 V204 | F200-P202 HydrophobicContact CE1-CB 4.44Å; P202-V204 PolarHBondContact O-N 3.37Å |
| 203 | P | 38.4 | Very low | 33.8 | Very low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.3 | -175.3 | 30.5 | -31.7 | 0 | 0 | 0 | 110.8 | ||
| 204 | V | 43.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 156.4 Ų | 156.4 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 127 | 169.2 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | P202 S206 | P202-V204 PolarHBondContact O-N 3.37Å; V204-S206 PolarHBondContact O-N 3.05Å |
| 205 | K | 38.8 | Very low | 33.6 | Very low | 203 Ų | 203 | 159.5 Ų | 159.5 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.4 | 169.9 | -73.4 | -178.8 | 177.9 | 177.6 | 0 | 109 | ||
| 206 | S | 30.1 | Very low | 33.4 | Very low | 111 Ų | 111 | 160 Ų | 160 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 125.4 | 170.7 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | V204 | V204-S206 PolarHBondContact O-N 3.05Š|
| 207 | E | 37.4 | Very low | 33.2 | Very low | 198 Ų | 198 | 161.4 Ų | 161.4 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -152.5 | 138.6 | 145.4 | -116 | 165.1 | -150.5 | 0 | 0 | 111.4 | ||||
| 208 | S | 31.5 | Very low | 33.6 | Very low | 99 Ų | 99 | 164.3 Ų | 164.3 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -81.5 | 159.2 | -163.4 | 43.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 209 | E | 32.7 | Very low | 33.5 | Very low | 147 Ų | 147 | 160.4 Ų | 160.4 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | trans | 110.1 | 122.1 | 147.6 | -64.7 | -166.9 | 167.1 | 0 | 0 | 119.1 | ||||
| 210 | R | 32 | Very low | 33.3 | Very low | 212 Ų | 212 | 160.1 Ų | 160.1 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | 95.2 | 85.7 | 142.8 | -75 | 176.2 | -88 | 169 | -5.6 | 118.8 | ||||
| 211 | N | 27.1 | Very low | 33.2 | Very low | 160 Ų | 160 | 161.2 Ų | 161.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | -7.6 | 127.3 | 128.8 | -77.9 | -19.9 | 0 | 0 | 0 | 115.1 | |||||
| 212 | S | 30 | Very low | 32.6 | Very low | 106 Ų | 106 | 156.6 Ų | 156.6 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | 170 | 147.8 | 90.3 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 213 | K | 32.7 | Very low | 32.3 | Very low | 197 Ų | 197 | 162.3 Ų | 162.3 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | 82.1 | 102.1 | 155.2 | -69.6 | 177.7 | -179.6 | -179.3 | 0 | 119.4 | ||||
| 214 | Y | 26.6 | Very low | 31.9 | Very low | 224 Ų | 224 | 161.4 Ų | 161.4 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -56.9 | 141.6 | 148.7 | -69.9 | -92.1 | 0 | 0 | 0 | 112.1 | ||||
| 215 | T | 33.7 | Very low | 31.2 | Very low | 143 Ų | 143 | 165 Ų | 165 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -148.5 | 126 | 131.9 | 31.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 216 | E | 28.9 | Very low | 30.7 | Very low | 175 Ų | 175 | 163.8 Ų | 163.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -59 | 146.7 | 168.3 | -72.3 | 175 | 124.9 | 0 | 0 | 111.5 | ||||
| 217 | H | 30.1 | Very low | 30.5 | Very low | 163 Ų | 163 | 168.5 Ų | 168.5 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | 142.1 | 95.7 | 146 | -90.1 | -94.5 | 0 | 0 | 0 | 109.1 | ||||
| 218 | D | 36.2 | Very low | 30 | Very low | 166 Ų | 166 | 162.6 Ų | 162.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | -166.4 | 142.7 | 110.7 | -107.5 | -31.6 | 0 | 0 | 0 | 113.9 | |||||
| 219 | K | 31.2 | Very low | 29.9 | Very low | 166 Ų | 166 | 164.8 Ų | 164.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -88.9 | 152.7 | -167.2 | -84.3 | 174.4 | 175.7 | 173.6 | 0 | 111.9 | ||||
| 220 | M | 28.6 | Very low | 29.5 | Very low | 164 Ų | 164 | 162.2 Ų | 162.2 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 75.2 | 104.6 | 140.3 | -73.2 | 162.8 | 147.4 | 0 | 0 | 118.6 | ||||
| 221 | K | 28.2 | Very low | 29.4 | Very low | 205 Ų | 205 | 157.8 Ų | 157.8 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | 166.9 | 96.4 | 110.2 | -89.2 | 167.4 | -176 | 178.4 | 0 | 110.6 | |||||
| 222 | A | 30.9 | Very low | 29.7 | Very low | 94 Ų | 94 | 157.5 Ų | 157.5 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -154.6 | 112.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 223 | F | 30.3 | Very low | 29.7 | Very low | 211 Ų | 211 | 161.6 Ų | 161.6 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -62.3 | 127.1 | 177.4 | -79.7 | -96 | 0 | 0 | 0 | 111 | ||||
| 224 | P | 28.8 | Very low | 29.9 | Very low | 109 Ų | 109 | 157.4 Ų | 157.4 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -84.8 | 124.1 | 164.2 | 6 | 12.4 | 0 | 0 | 0 | 109 | E226 | P224-E226 VanDerWaalsContact C-N 3.31Å; P224-E226 PolarHBondContact O-N 3.48Å | ||
| 225 | R | 29.6 | Very low | 29.9 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 94.6 | 159.4 | -93.5 | -178.5 | 172.3 | 175.4 | -3.2 | 107.5 | Y227 | R225-Y227 PolarHBondContact O-N 3.38Å; R225-Y227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | E | 27 | Very low | 30 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -62.9 | 104.7 | 162.8 | -78.7 | -177.7 | 153.7 | 0 | 0 | 109.1 | P224 | P224-E226 VanDerWaalsContact C-N 3.31Å; P224-E226 PolarHBondContact O-N 3.48Å | ||
| 227 | Y | 27.4 | Very low | 30.1 | Very low | 210 Ų | 210 | 144.6 Ų | 144.6 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -114.9 | 62.6 | 151.4 | -99.7 | -90.7 | 0 | 0 | 0 | 107.2 | R225 Q229 | R225-Y227 PolarHBondContact O-N 3.38Å; R225-Y227 VanDerWaalsContact O-N 3.12Å; Y227-Q229 PolarHBondContact O-N 3.13Å | ||
| 228 | G | 25.9 | Very low | 30.5 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -89.4 | 81.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S230 | G228-S230 PolarHBondContact O-N 3.11Š| ||
| 229 | Q | 29.3 | Very low | 30.9 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -76.2 | 106.6 | 156.9 | -78.4 | -180 | 0.5 | 0 | 0 | 106.2 | Y227 | Y227-Q229 PolarHBondContact O-N 3.13Š| ||
| 230 | S | 26 | Very low | 31.6 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | trans | -46.5 | 147.5 | 160.6 | 46.6 | 0 | 0 | 0 | 0 | 109 | G228 M232 | G228-S230 PolarHBondContact O-N 3.11Å; S230-M232 PolarHBondContact O-N 3.49Å | ||
| 231 | P | 28.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | -50.6 | 117.3 | 166.3 | -17.9 | 29.3 | 0 | 0 | 0 | 106.6 | E233 | P231-E233 VanDerWaalsContact C-N 3.33Å; P231-E233 PolarHBondContact O-N 3.41Å | ||
| 232 | M | 33.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | -57.1 | 104.8 | 171.8 | -98.1 | -170.9 | -88.8 | 0 | 0 | 106.3 | S230 L234 | S230-M232 PolarHBondContact O-N 3.49Å; M232-L234 PolarHBondContact O-N 3.49Å | ||
| 233 | E | 30 | Very low | 35.7 | Very low | 192 Ų | 192 | 122.5 Ų | 122.5 | 90% | 0.897 | 68% | 0.681 | S | S | * | * | trans | -63 | 83.8 | 156.1 | -74.5 | -173.2 | 162.7 | 0 | 0 | 106 | P231 G235 | P231-E233 VanDerWaalsContact C-N 3.33Å; P231-E233 PolarHBondContact O-N 3.41Å; E233-G235 VanDerWaalsContact C-N 3.3Å; E233-G235 PolarHBondContact O-N 3.19Å | ||
| 234 | L | 37.4 | Very low | 37.4 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | trans | -63.6 | 100.7 | 162.8 | -90.3 | 148.3 | 0 | 0 | 0 | 105.6 | M232 F236 | M232-L234 PolarHBondContact O-N 3.49Å; L234-F236 HydrophobicContact CB-CD2 3.62Å; L234-F236 HydrophobicContact CB-CE2 3.35Å; L234-F236 HydrophobicContact CB-CZ 4.17Å; L234-F236 HydrophobicContact CD1-CE2 3.98Å; L234-F236 HydrophobicContact CD1-CZ 4.25Å; L234-F236 HydrophobicContact CD2-CE2 4.38Å; L234-F236 HydrophobicContact CD2-CZ 4.39Å; L234-F236 HydrophobicContact CG-CE2 4.1Å; L234-F236 VanDerWaalsContact O-CD2 3.28Å; L234-F236 WeakPolarHBondContact O-CD2 3.43Å; L234-F236 PolarHBondContact O-N 3.36Å | ||
| 235 | G | 26.4 | Very low | 39.4 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 86% | 0.856 | 63% | 0.633 | S | S | * | * | trans | -60.7 | 85 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | E233 | E233-G235 VanDerWaalsContact C-N 3.3Å; E233-G235 PolarHBondContact O-N 3.19Å | ||
| 236 | F | 36.8 | Very low | 41.1 | Very low | 101 Ų | 101 | 107.4 Ų | 107.4 | 44% | 0.443 | 63% | 0.625 | S | S | . | * | trans | -77.4 | 127 | 173 | -81.7 | -80.4 | 0 | 0 | 0 | 108.6 | L234 A238 | L234-F236 HydrophobicContact CB-CD2 3.62Å; L234-F236 HydrophobicContact CB-CE2 3.35Å; L234-F236 HydrophobicContact CB-CZ 4.17Å; L234-F236 HydrophobicContact CD1-CE2 3.98Å; L234-F236 HydrophobicContact CD1-CZ 4.25Å; L234-F236 HydrophobicContact CD2-CE2 4.38Å; L234-F236 HydrophobicContact CD2-CZ 4.39Å; L234-F236 HydrophobicContact CG-CE2 4.1Å; L234-F236 VanDerWaalsContact O-CD2 3.28Å; L234-F236 WeakPolarHBondContact O-CD2 3.43Å; L234-F236 PolarHBondContact O-N 3.36Å; F236-A238 VanDerWaalsContact C-N 3.29Å; F236-A238 PolarHBondContact O-N 3.34Å | ||
| 237 | S | 29.4 | Very low | 43.3 | Very low | 90 Ų | 90 | 102.6 Ų | 102.6 | 63% | 0.629 | 62% | 0.624 | S | S | * | * | trans | -64.2 | 94.4 | 160.8 | 56.2 | 0 | 0 | 0 | 0 | 108.1 | S239 | S237-S239 PolarHBondContact O-N 3.14Š| ||
| 238 | A | 40.2 | Very low | 45.8 | Very low | 61 Ų | 61 | 94.3 Ų | 94.3 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | -12.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F236 S240 | F236-A238 VanDerWaalsContact C-N 3.29Å; F236-A238 PolarHBondContact O-N 3.34Å; A238-S240 PolarHBondContact O-N 3.22Å |
| 239 | S | 43 | Very low | 48.5 | Very low | 100 Ų | 100 | 94.3 Ų | 94.3 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -22.3 | -166.1 | 51.7 | 0 | 0 | 0 | 0 | 116.1 | S237 | S237-S239 PolarHBondContact O-N 3.14Š|
| 240 | S | 47.6 | Very low | 51.3 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.7 | -22.9 | -173.7 | -55.4 | 0 | 0 | 0 | 0 | 114.4 | A238 | A238-S240 PolarHBondContact O-N 3.22Š|
| 241 | N | 54.8 | Low | 54.2 | Low | 47 Ų | 47 | 98.2 Ų | 98.2 | 25% | 0.251 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -27.5 | -172.6 | -70.3 | -19 | 0 | 0 | 0 | 112.9 | T243 I244 A359 | N241-T243 PolarHBondContact O-N 3.1Å; N241-I244 PolarHBondContact O-N 2.87Å; N241-A359 HydrophobicContact CB-CB 4.35Å; N241-A359 PolarHBondContact ND2-O 3.47Å |
| 242 | D | 57.3 | Low | 56.9 | Low | 105 Ų | 105 | 92.8 Ų | 92.8 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -28 | -178.6 | -71.8 | -9 | 0 | 0 | 0 | 112.4 | I244 I245 S246 | D242-I244 PolarHBondContact O-N 3.14Å; D242-I245 PolarHBondContact O-N 3.39Å; D242-S246 WeakPolarHBondContact O-CB 3.4Å; D242-S246 PolarHBondContact O-N 3.25Å |
| 243 | T | 61.6 | Low | 59.5 | Low | 103 Ų | 103 | 86 Ų | 86 | 63% | 0.632 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -38.5 | -179.2 | -25.5 | 0 | 0 | 0 | 0 | 111.9 | N241 I245 S246 | N241-T243 PolarHBondContact O-N 3.1Å; T243-I245 VanDerWaalsContact C-N 3.3Å; T243-I245 PolarHBondContact O-N 3.22Å; T243-S246 PolarHBondContact O-OG 3.15Å |
| 244 | I | 66 | Low | 62.3 | Low | 83 Ų | 83 | 82.7 Ų | 82.7 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -34.5 | -179.8 | -59.5 | 175 | 0 | 0 | 0 | 110.6 | N241 D242 A355 | N241-I244 PolarHBondContact O-N 2.87Å; D242-I244 PolarHBondContact O-N 3.14Å; I244-A355 HydrophobicContact CG2-CB 4.39Å |
| 245 | I | 70 | Confident | 64.7 | Low | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.205 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -87 | -22.9 | -175.2 | -56.7 | 175.6 | 0 | 0 | 0 | 111.5 | D242 T243 G247 I248 V253 A359 | D242-I245 PolarHBondContact O-N 3.39Å; T243-I245 VanDerWaalsContact C-N 3.3Å; T243-I245 PolarHBondContact O-N 3.22Å; I245-G247 PolarHBondContact O-N 3.24Å; I245-G247 VanDerWaalsContact O-N 3.09Å; I245-I248 PolarHBondContact O-N 3.36Å; I245-V253 HydrophobicContact CG2-CG1 4.16Å; I245-V253 HydrophobicContact CG2-CG2 3.88Å; I245-A359 HydrophobicContact CD1-CB 3.85Å; I245-A359 HydrophobicContact CG1-CB 4.12Å |
| 246 | S | 65.4 | Low | 67.7 | Low | 92 Ų | 92 | 75.6 Ų | 75.6 | 64% | 0.643 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29 | -173 | 67.1 | 0 | 0 | 0 | 0 | 115.9 | D242 T243 | D242-S246 WeakPolarHBondContact O-CB 3.4Å; D242-S246 PolarHBondContact O-N 3.25Å; T243-S246 PolarHBondContact O-OG 3.15Å |
| 247 | G | 73.3 | Confident | 70.1 | Confident | 77 Ų | 77 | 74 Ų | 74 | 79% | 0.794 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I245 | I245-G247 PolarHBondContact O-N 3.24Å; I245-G247 VanDerWaalsContact O-N 3.09Å |
| 248 | I | 78.9 | Confident | 72.9 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 19% | 0.185 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -110.4 | 148.1 | -171.7 | -53.3 | 177 | 0 | 0 | 0 | 110.2 | I245 K250 V253 T352 A355 | I245-I248 PolarHBondContact O-N 3.36Å; I248-K250 PolarHBondContact O-N 3.33Å; I248-K250 VanDerWaalsContact O-N 3.13Å; I248-V253 HydrophobicContact CB-CG2 4.39Å; I248-V253 HydrophobicContact CG2-CG2 4.04Å; I248-T352 HydrophobicContact CG2-CG2 3.5Å; I248-T352 WeakPolarHBondContact CG2-OG1 2.97Å; I248-A355 HydrophobicContact CD1-CB 3.19Å |
| 249 | D | 84.3 | Confident | 75 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | trans | -56.8 | 116.1 | 176.5 | -165.6 | -28.4 | 0 | 0 | 0 | 110.9 | E251 L252 V253 | D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 WeakPolarHBondContact OD1-CB 3.3Å; D249-E251 PolarHBondContact OD1-N 2.68Å; D249-L252 HydrophobicContact CB-CB 4.2Å; D249-L252 HydrophobicContact CB-CD1 3.94Å; D249-L252 HydrophobicContact CB-CG 3.95Å; D249-L252 PolarHBondContact O-N 2.83Å; D249-V253 WeakPolarHBondContact O-CG2 3.19Å; D249-V253 PolarHBondContact O-N 2.93Å; D249-V253 VanDerWaalsContact O-N 3.12Å | ||
| 250 | K | 86.8 | Confident | 76.9 | Confident | 171 Ų | 171 | 73.5 Ų | 73.5 | 74% | 0.743 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.5 | -31.4 | -177.2 | -66.7 | -176.8 | 179.2 | -178.6 | 0 | 111.9 | I248 V253 Q254 | I248-K250 PolarHBondContact O-N 3.33Å; I248-K250 VanDerWaalsContact O-N 3.13Å; K250-V253 PolarHBondContact O-N 3.48Å; K250-Q254 WeakPolarHBondContact O-CB 3.39Å; K250-Q254 PolarHBondContact O-N 3.33Å |
| 251 | E | 86.4 | Confident | 78.8 | Confident | 149 Ų | 149 | 71.5 Ų | 71.5 | 70% | 0.696 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 178.8 | -62.3 | -174.3 | 178.1 | 0 | 0 | 110.6 | D249 V253 Q254 M255 | D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 WeakPolarHBondContact OD1-CB 3.3Å; D249-E251 PolarHBondContact OD1-N 2.68Å; E251-V253 VanDerWaalsContact C-N 3.35Å; E251-V253 PolarHBondContact O-N 3.44Å; E251-Q254 PolarHBondContact O-N 3.26Å; E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.41Å; E251-M255 PolarHBondContact O-N 3.22Å |
| 252 | L | 86.3 | Confident | 80.2 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.9 | -65.2 | -177.9 | 0 | 0 | 0 | 112 | D249 M255 I256 K348 T352 | D249-L252 HydrophobicContact CB-CB 4.2Å; D249-L252 HydrophobicContact CB-CD1 3.94Å; D249-L252 HydrophobicContact CB-CG 3.95Å; D249-L252 PolarHBondContact O-N 2.83Å; L252-M255 HydrophobicContact CD2-CE 3.86Å; L252-M255 HydrophobicContact CD2-SD 4.2Å; L252-I256 WeakPolarHBondContact O-CD1 3.49Å; L252-I256 WeakPolarHBondContact O-CG1 3.25Å; L252-I256 PolarHBondContact O-N 3.05Å; L252-K348 HydrophobicContact CD1-CB 4.01Å; L252-T352 HydrophobicContact CB-CG2 4.13Å |
| 253 | V | 88.5 | Confident | 81.2 | Confident | 11 Ų | 11 | 75.5 Ų | 75.5 | 7% | 0.067 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.6 | -52.1 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | I245 I248 D249 K250 E251 M255 I256 E257 T352 V356 | I245-V253 HydrophobicContact CG2-CG1 4.16Å; I245-V253 HydrophobicContact CG2-CG2 3.88Å; I248-V253 HydrophobicContact CB-CG2 4.39Å; I248-V253 HydrophobicContact CG2-CG2 4.04Å; D249-V253 WeakPolarHBondContact O-CG2 3.19Å; D249-V253 PolarHBondContact O-N 2.93Å; D249-V253 VanDerWaalsContact O-N 3.12Å; K250-V253 PolarHBondContact O-N 3.48Å; E251-V253 VanDerWaalsContact C-N 3.35Å; E251-V253 PolarHBondContact O-N 3.44Å; V253-M255 VanDerWaalsContact C-N 3.26Å; V253-M255 PolarHBondContact O-N 3.08Å; V253-I256 PolarHBondContact O-N 3.46Å; V253-I256 VanDerWaalsContact O-N 3.15Å; V253-E257 HydrophobicContact CG1-CG 4.47Å; V253-E257 WeakPolarHBondContact O-CG 3.23Å; V253-E257 PolarHBondContact O-N 2.85Å; V253-T352 HydrophobicContact CG2-CG2 3.71Å; V253-V356 HydrophobicContact CB-CG2 4.42Å; V253-V356 HydrophobicContact CG1-CG2 4Å; V253-V356 HydrophobicContact CG2-CG2 4.07Å |
| 254 | Q | 88.7 | Confident | 81.9 | Confident | 124 Ų | 124 | 71.6 Ų | 71.6 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.3 | -37.7 | -178.8 | -172.8 | 174 | 15.7 | 0 | 0 | 112 | K250 E251 E257 N258 | K250-Q254 WeakPolarHBondContact O-CB 3.39Å; K250-Q254 PolarHBondContact O-N 3.33Å; E251-Q254 PolarHBondContact O-N 3.26Å; Q254-E257 PolarHBondContact O-N 2.81Å; Q254-N258 WeakPolarHBondContact O-CB 3.38Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 2.65Å; Q254-N258 PolarHBondContact O-ND2 3.07Å; Q254-N258 VanDerWaalsContact O-ND2 3.11Å |
| 255 | M | 86.5 | Confident | 82.6 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 21% | 0.207 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 174.3 | 172.8 | -153.2 | -65.2 | 0 | 0 | 112.4 | E251 L252 V253 E257 N258 E259 W342 L349 | E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.41Å; E251-M255 PolarHBondContact O-N 3.22Å; L252-M255 HydrophobicContact CD2-CE 3.86Å; L252-M255 HydrophobicContact CD2-SD 4.2Å; V253-M255 VanDerWaalsContact C-N 3.26Å; V253-M255 PolarHBondContact O-N 3.08Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 2.75Å; M255-N258 PolarHBondContact O-N 3.15Å; M255-E259 PolarHBondContact O-N 3.34Å; M255-W342 HydrophobicContact CE-CE3 4.19Å; M255-W342 HydrophobicContact CE-CH2 3.33Å; M255-W342 HydrophobicContact CE-CZ2 4.4Å; M255-W342 HydrophobicContact CE-CZ3 3.18Å; M255-W342 HydrophobicContact CG-CH2 3.84Å; M255-W342 HydrophobicContact CG-CZ2 4.24Å; M255-W342 HydrophobicContact SD-CE3 4.06Å; M255-W342 HydrophobicContact SD-CH2 2.99Å; M255-W342 WeakPolarHBondContact SD-CH2 3.49Å; M255-W342 HydrophobicContact SD-CZ2 3.5Å; M255-W342 WeakPolarHBondContact SD-CZ2 3.27Å; M255-W342 HydrophobicContact SD-CZ3 3.3Å; M255-W342 WeakPolarHBondContact SD-CZ3 3.41Å; M255-L349 HydrophobicContact SD-CD1 4.41Å |
| 256 | I | 89 | Confident | 83.4 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.7 | -76.3 | 158.4 | 0 | 0 | 0 | 110.6 | L252 V253 N258 I260 V261 F331 L349 T352 L353 V356 | L252-I256 WeakPolarHBondContact O-CD1 3.49Å; L252-I256 WeakPolarHBondContact O-CG1 3.25Å; L252-I256 PolarHBondContact O-N 3.05Å; V253-I256 PolarHBondContact O-N 3.46Å; V253-I256 VanDerWaalsContact O-N 3.15Å; I256-N258 VanDerWaalsContact C-N 3.29Å; I256-N258 PolarHBondContact O-N 3.13Å; I256-I260 HydrophobicContact CB-CD1 4.38Å; I256-I260 HydrophobicContact CG1-CD1 3.8Å; I256-I260 HydrophobicContact CG2-CB 4.33Å; I256-I260 WeakPolarHBondContact O-CA 3.31Å; I256-I260 WeakPolarHBondContact O-CB 3.47Å; I256-I260 PolarHBondContact O-N 2.96Å; I256-V261 PolarHBondContact O-N 3.31Å; I256-F331 HydrophobicContact CG2-CD1 4.16Å; I256-F331 HydrophobicContact CG2-CE1 4.05Å; I256-L349 HydrophobicContact CD1-CD1 3.83Å; I256-L349 HydrophobicContact CG1-CD1 3.91Å; I256-T352 HydrophobicContact CD1-CG2 3.42Å; I256-T352 VanDerWaalsContact CD1-CG2 3.42Å; I256-L353 HydrophobicContact CD1-CB 4.22Å; I256-L353 HydrophobicContact CG2-CD1 4.1Å; I256-V356 HydrophobicContact CG2-CB 4.44Å; I256-V356 HydrophobicContact CG2-CG1 4.25Å |
| 257 | E | 88.7 | Confident | 84.5 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 179.6 | -68.1 | -174.7 | 159.8 | 0 | 0 | 113.2 | V253 Q254 M255 R360 | V253-E257 HydrophobicContact CG1-CG 4.47Å; V253-E257 WeakPolarHBondContact O-CG 3.23Å; V253-E257 PolarHBondContact O-N 2.85Å; Q254-E257 PolarHBondContact O-N 2.81Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 2.75Å; E257-R360 VanDerWaalsContact CG-NH2 3.3Å; E257-R360 IonicContact OE1-CZ 3.92Å; E257-R360 IonicContact OE1-NE 3.71Å; E257-R360 IonicContact OE1-NH2 3.74Å; E257-R360 PolarHBondContact OE1-NH2 3.21Å; E257-R360 IonicContact OE2-NH2 2.83Å; E257-R360 PolarHBondContact OE2-NH2 3.05Å |
| 258 | N | 87.4 | Confident | 85.3 | Confident | 116 Ų | 116 | 68 Ų | 68 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -87.2 | -37.5 | -178.3 | -72.5 | -31.1 | 0 | 0 | 0 | 113.9 | Q254 M255 I256 | Q254-N258 WeakPolarHBondContact O-CB 3.38Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 2.65Å; Q254-N258 PolarHBondContact O-ND2 3.07Å; Q254-N258 VanDerWaalsContact O-ND2 3.11Å; M255-N258 PolarHBondContact O-N 3.15Å; I256-N258 VanDerWaalsContact C-N 3.29Å; I256-N258 PolarHBondContact O-N 3.13Å |
| 259 | E | 84 | Confident | 85.8 | Confident | 110 Ų | 110 | 72.2 Ų | 72.2 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -102.1 | -34.1 | -172.2 | -65.1 | -163.8 | 179.5 | 0 | 0 | 114.1 | M255 | M255-E259 PolarHBondContact O-N 3.34Å |
| 260 | I | 83.9 | Confident | 85.9 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -32.8 | -169.6 | -66.5 | 165.8 | 0 | 0 | 0 | 111.5 | I256 Q262 F331 S332 V333 L353 | I256-I260 HydrophobicContact CB-CD1 4.38Å; I256-I260 HydrophobicContact CG1-CD1 3.8Å; I256-I260 HydrophobicContact CG2-CB 4.33Å; I256-I260 WeakPolarHBondContact O-CA 3.31Å; I256-I260 WeakPolarHBondContact O-CB 3.47Å; I256-I260 PolarHBondContact O-N 2.96Å; I260-Q262 PolarHBondContact O-N 3.48Å; I260-F331 HydrophobicContact CG2-CB 3.85Å; I260-F331 HydrophobicContact CG2-CD1 4.08Å; I260-F331 HydrophobicContact CG2-CG 4.48Å; I260-F331 WeakPolarHBondContact O-CA 3.27Å; I260-S332 PolarHBondContact O-N 3.34Å; I260-V333 HydrophobicContact CD1-CG2 4.43Å; I260-V333 HydrophobicContact CG2-CB 4.26Å; I260-L353 HydrophobicContact CG2-CD1 3.95Å |
| 261 | V | 85.8 | Confident | 86.1 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.8 | 177.3 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | I256 T329 F331 | I256-V261 PolarHBondContact O-N 3.31Å; V261-T329 HydrophobicContact CG1-CG2 3.97Å; V261-F331 HydrophobicContact CG2-CD1 3.68Å; V261-F331 HydrophobicContact CG2-CE1 3.43Å; V261-F331 VanDerWaalsContact CG2-CE1 3.43Å; V261-F331 HydrophobicContact CG2-CZ 4.15Å |
| 262 | Q | 84.4 | Confident | 86.3 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.8 | 179.4 | -66.4 | -175.9 | 15.4 | 0 | 0 | 110.9 | I260 A264 F330 | I260-Q262 PolarHBondContact O-N 3.48Å; Q262-A264 PolarHBondContact O-N 3.12Å; Q262-F330 HydrophobicContact CB-CD1 3.97Å; Q262-F330 PolarHBondContact N-O 3.41Å |
| 263 | L | 79.4 | Confident | 86.4 | Confident | 141 Ų | 141 | 59.5 Ų | 59.5 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | trans | -76.4 | 122.3 | 173 | -163.8 | 77.1 | 0 | 0 | 0 | 109.4 | S265 | L263-S265 PolarHBondContact O-N 2.95Š| ||
| 264 | A | 75.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | trans | -82.2 | 89.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q262 A323 S324 F330 | Q262-A264 PolarHBondContact O-N 3.12Å; A264-A323 HydrophobicContact CB-CB 3.94Å; A264-S324 VanDerWaalsContact O-CB 3.26Å; A264-S324 WeakPolarHBondContact O-CB 3.21Å; A264-S324 PolarHBondContact O-OG 2.93Å; A264-F330 HydrophobicContact CB-CB 4Å; A264-F330 HydrophobicContact CB-CG 4.47Å | ||
| 265 | S | 80.4 | Confident | 86.6 | Confident | 80 Ų | 80 | 59 Ų | 59 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | trans | -99.8 | 3.8 | -171.7 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | L263 | L263-S265 PolarHBondContact O-N 2.95Š| ||
| 266 | Y | 87.1 | Confident | 86.7 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -99.6 | 138.8 | -174.9 | -61.6 | -75.2 | 0 | 0 | 0 | 113.6 | D270 L317 S320 C321 S324 | Y266-D270 HydrophobicContact CD1-CB 4.25Å; Y266-L317 HydrophobicContact CD1-CD1 4.47Å; Y266-L317 HydrophobicContact CD1-CG 4.32Å; Y266-L317 HydrophobicContact CG-CG 4.3Å; Y266-S320 WeakPolarHBondContact CD2-OG 3.46Å; Y266-C321 WeakPolarHBondContact O-CA 3.26Å; Y266-S324 VanDerWaalsContact O-CB 3.26Å; Y266-S324 WeakPolarHBondContact O-CB 3.42Å | ||
| 267 | S | 88.8 | Confident | 86.9 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | trans | -101.7 | 167.2 | 176.9 | 72.7 | 0 | 0 | 0 | 0 | 112.1 | D269 D270 C321 | S267-D269 PolarHBondContact O-N 3.22Å; S267-D269 PolarHBondContact OG-N 3.49Å; S267-D270 PolarHBondContact N-OD2 3.33Å; S267-D270 PolarHBondContact O-N 2.82Å; S267-D270 PolarHBondContact OG-N 2.92Å; S267-D270 PolarHBondContact OG-OD2 3.1Å; S267-C321 PolarHBondContact O-SG 3.15Å; S267-C321 VanDerWaalsContact O-SG 3.41Å | ||
| 268 | W | 90.2 | Very high | 87 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.2 | 172.6 | -73.4 | 119.3 | 0 | 0 | 0 | 113 | D270 K278 I281 K282 V286 C321 I322 Q325 | W268-D270 VanDerWaalsContact C-N 3.27Å; W268-K278 HydrophobicContact CE3-CB 4.3Å; W268-K278 HydrophobicContact CE3-CD 3.89Å; W268-K278 HydrophobicContact CE3-CG 3.71Å; W268-K278 HydrophobicContact CZ3-CB 4.23Å; W268-K278 HydrophobicContact CZ3-CD 4.42Å; W268-K278 HydrophobicContact CZ3-CG 3.73Å; W268-K278 PolarHBondContact O-NZ 3.36Å; W268-I281 HydrophobicContact CH2-CB 4.13Å; W268-I281 HydrophobicContact CH2-CD1 4.36Å; W268-I281 HydrophobicContact CH2-CG2 3.7Å; W268-I281 HydrophobicContact CZ2-CG2 4.11Å; W268-K282 HydrophobicContact CZ2-CG 4.16Å; W268-V286 HydrophobicContact CZ2-CG2 4.16Å; W268-C321 PolarHBondContact N-SG 2.85Å; W268-I322 HydrophobicContact CH2-CG1 4.25Å; W268-Q325 VanDerWaalsContact CD1-OE1 3.23Å; W268-Q325 HydrophobicContact CG-CG 4.42Å; W268-Q325 HydrophobicContact CZ2-CG 4.43Å; W268-Q325 VanDerWaalsContact NE1-CG 3.33Å |
| 269 | D | 89.3 | Confident | 87.3 | Confident | 125 Ų | 125 | 58 Ų | 58 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -8.6 | 178 | -59.3 | -28.4 | 0 | 0 | 0 | 112 | S267 R447 | S267-D269 PolarHBondContact O-N 3.22Å; S267-D269 PolarHBondContact OG-N 3.49Å; D269-R447 PolarHBondContact O-NH1 3.1Å; D269-R447 PolarHBondContact O-NH2 2.96Å |
| 270 | D | 87.6 | Confident | 87.7 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -23.1 | 174 | -61.6 | -55.9 | 0 | 0 | 0 | 112.2 | Y266 S267 W268 R447 | Y266-D270 HydrophobicContact CD1-CB 4.25Å; S267-D270 PolarHBondContact N-OD2 3.33Å; S267-D270 PolarHBondContact O-N 2.82Å; S267-D270 PolarHBondContact OG-N 2.92Å; S267-D270 PolarHBondContact OG-OD2 3.1Å; W268-D270 VanDerWaalsContact C-N 3.27Å; D270-R447 PolarHBondContact O-NH1 3.03Å |
| 271 | V | 90.8 | Very high | 88.1 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -83.7 | 121.4 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | L274 K278 L317 I318 C321 | V271-L274 HydrophobicContact CG1-CD1 4.2Å; V271-K278 VanDerWaalsContact CG1-CE 3.49Å; V271-K278 PolarHBondContact O-NZ 3.39Å; V271-L317 HydrophobicContact CB-CD2 4.23Å; V271-L317 HydrophobicContact CG2-CD2 3.24Å; V271-I318 HydrophobicContact CG1-CG1 4.27Å; V271-I318 HydrophobicContact CG2-CG1 4.28Å; V271-C321 HydrophobicContact CG2-CB 4.47Å |
| 272 | A | 89.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | trans | -84.6 | 138.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A440 D443 I444 | A272-A440 HydrophobicContact CB-CB 4.32Å; A272-D443 HydrophobicContact CB-CB 4.28Å; A272-I444 HydrophobicContact CB-CD1 4.05Å; A272-I444 HydrophobicContact CB-CG1 3.42Å; A272-I444 VanDerWaalsContact CB-CG1 3.42Å | ||
| 273 | G | 89.1 | Confident | 88.7 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 65.2 | -145.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S275 K278 | G273-S275 VanDerWaalsContact C-N 3.31Å; G273-S275 PolarHBondContact O-N 3.35Å; G273-K278 WeakPolarHBondContact O-CE 3.42Å; G273-K278 PolarHBondContact O-NZ 3.34Å |
| 274 | L | 89.7 | Confident | 89.3 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | trans | 56.4 | 36.4 | 176 | -59.6 | 174.5 | 0 | 0 | 0 | 114.4 | V271 E276 V277 K278 I318 I433 P434 | V271-L274 HydrophobicContact CG1-CD1 4.2Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.23Å; L274-V277 HydrophobicContact CB-CB 4.23Å; L274-V277 HydrophobicContact CD2-CG2 4.37Å; L274-V277 PolarHBondContact O-N 3.44Å; L274-V277 VanDerWaalsContact O-N 3.15Å; L274-K278 WeakPolarHBondContact O-CB 3.25Å; L274-K278 VanDerWaalsContact O-CG 3.31Å; L274-K278 WeakPolarHBondContact O-CG 3.35Å; L274-K278 PolarHBondContact O-N 2.82Å; L274-I318 HydrophobicContact CD1-CD1 3.79Å; L274-I433 HydrophobicContact CD1-CG2 3.85Å; L274-I433 HydrophobicContact CD2-CG2 4.48Å; L274-P434 HydrophobicContact CD2-CG 3.84Å | ||
| 275 | S | 90.3 | Very high | 90 | Very high | 91 Ų | 91 | 47 Ų | 47 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -54 | -46.4 | -176.5 | 49.1 | 0 | 0 | 0 | 0 | 113 | G273 K278 S279 | G273-S275 VanDerWaalsContact C-N 3.31Å; G273-S275 PolarHBondContact O-N 3.35Å; S275-K278 PolarHBondContact O-N 2.94Å; S275-S279 WeakPolarHBondContact O-CB 2.88Å; S275-S279 PolarHBondContact O-N 3.45Å |
| 276 | E | 89.7 | Confident | 90.5 | Very high | 93 Ų | 93 | 43.5 Ų | 43.5 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 179 | -63 | -178.2 | 172.8 | 0 | 0 | 111.5 | L274 S279 A280 R545 | L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.23Å; E276-S279 PolarHBondContact O-N 3.35Å; E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.38Å; E276-R545 IonicContact OE1-CZ 3.32Å; E276-R545 IonicContact OE1-NE 3.29Å; E276-R545 PolarHBondContact OE1-NE 3.41Å; E276-R545 IonicContact OE1-NH2 2.75Å; E276-R545 PolarHBondContact OE1-NH2 3.33Å |
| 277 | V | 92 | Very high | 90.7 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -42.3 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | L274 S279 A280 I281 L431 I433 | L274-V277 HydrophobicContact CB-CB 4.23Å; L274-V277 HydrophobicContact CD2-CG2 4.37Å; L274-V277 PolarHBondContact O-N 3.44Å; L274-V277 VanDerWaalsContact O-N 3.15Å; V277-S279 VanDerWaalsContact C-N 3.34Å; V277-S279 PolarHBondContact O-N 3.29Å; V277-A280 PolarHBondContact O-N 2.89Å; V277-I281 HydrophobicContact CG1-CD1 3.69Å; V277-I281 HydrophobicContact CG1-CG1 4.33Å; V277-I281 WeakPolarHBondContact O-CB 3.43Å; V277-I281 VanDerWaalsContact O-CG1 3.22Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.49Å; V277-L431 HydrophobicContact CG1-CB 4.44Å; V277-L431 HydrophobicContact CG1-CD1 4.38Å; V277-I433 HydrophobicContact CG1-CD1 3.65Å |
| 278 | K | 92.5 | Very high | 90.7 | Very high | 36 Ų | 36 | 44 Ų | 44 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 175.4 | -70.6 | -178.1 | -177.8 | -175 | 0 | 111.4 | W268 V271 G273 L274 S275 I281 K282 | W268-K278 HydrophobicContact CE3-CB 4.3Å; W268-K278 HydrophobicContact CE3-CD 3.89Å; W268-K278 HydrophobicContact CE3-CG 3.71Å; W268-K278 HydrophobicContact CZ3-CB 4.23Å; W268-K278 HydrophobicContact CZ3-CD 4.42Å; W268-K278 HydrophobicContact CZ3-CG 3.73Å; W268-K278 PolarHBondContact O-NZ 3.36Å; V271-K278 VanDerWaalsContact CG1-CE 3.49Å; V271-K278 PolarHBondContact O-NZ 3.39Å; G273-K278 WeakPolarHBondContact O-CE 3.42Å; G273-K278 PolarHBondContact O-NZ 3.34Å; L274-K278 WeakPolarHBondContact O-CB 3.25Å; L274-K278 VanDerWaalsContact O-CG 3.31Å; L274-K278 WeakPolarHBondContact O-CG 3.35Å; L274-K278 PolarHBondContact O-N 2.82Å; S275-K278 PolarHBondContact O-N 2.94Å; K278-I281 PolarHBondContact O-N 2.89Å; K278-K282 VanDerWaalsContact O-CG 3.31Å; K278-K282 WeakPolarHBondContact O-CG 3.04Å; K278-K282 PolarHBondContact O-N 3.4Å |
| 279 | S | 92.5 | Very high | 90.6 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.6 | -50.8 | 176.3 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | S275 E276 V277 I281 K282 E283 | S275-S279 WeakPolarHBondContact O-CB 2.88Å; S275-S279 PolarHBondContact O-N 3.45Å; E276-S279 PolarHBondContact O-N 3.35Å; V277-S279 VanDerWaalsContact C-N 3.34Å; V277-S279 PolarHBondContact O-N 3.29Å; S279-I281 PolarHBondContact O-N 2.81Å; S279-K282 PolarHBondContact O-N 3.1Å; S279-E283 PolarHBondContact O-N 3.18Å; S279-E283 VanDerWaalsContact O-N 3.1Å |
| 280 | A | 92.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.9 | -50.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E276 V277 K282 E283 I284 L431 F541 H543 | E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.38Å; V277-A280 PolarHBondContact O-N 2.89Å; A280-K282 VanDerWaalsContact C-N 3.34Å; A280-K282 PolarHBondContact O-N 2.87Å; A280-E283 WeakPolarHBondContact O-CB 3.41Å; A280-E283 PolarHBondContact O-N 3.16Å; A280-E283 VanDerWaalsContact O-N 3.16Å; A280-I284 WeakPolarHBondContact O-CG1 3.42Å; A280-I284 PolarHBondContact O-N 3.39Å; A280-L431 HydrophobicContact CB-CD2 4.29Å; A280-F541 HydrophobicContact CB-CE1 4.19Å; A280-H543 HydrophobicContact CB-CB 4.48Å |
| 281 | I | 92.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -42 | 179.6 | -68.9 | 164.6 | 0 | 0 | 0 | 112.1 | W268 V277 K278 S279 E283 I284 V285 V286 I318 I322 L431 | W268-I281 HydrophobicContact CH2-CB 4.13Å; W268-I281 HydrophobicContact CH2-CD1 4.36Å; W268-I281 HydrophobicContact CH2-CG2 3.7Å; W268-I281 HydrophobicContact CZ2-CG2 4.11Å; V277-I281 HydrophobicContact CG1-CD1 3.69Å; V277-I281 HydrophobicContact CG1-CG1 4.33Å; V277-I281 WeakPolarHBondContact O-CB 3.43Å; V277-I281 VanDerWaalsContact O-CG1 3.22Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.49Å; K278-I281 PolarHBondContact O-N 2.89Å; S279-I281 PolarHBondContact O-N 2.81Å; I281-E283 VanDerWaalsContact C-N 3.27Å; I281-E283 PolarHBondContact O-N 2.98Å; I281-I284 PolarHBondContact O-N 3.28Å; I281-V285 HydrophobicContact CG2-CB 4.48Å; I281-V285 WeakPolarHBondContact O-CB 3.15Å; I281-V285 PolarHBondContact O-N 2.9Å; I281-V286 HydrophobicContact CG2-CG2 4.41Å; I281-V286 PolarHBondContact O-N 3.48Å; I281-I318 HydrophobicContact CD1-CG2 3.64Å; I281-I322 HydrophobicContact CD1-CD1 4.19Å; I281-I322 HydrophobicContact CG1-CD1 4.48Å; I281-I322 HydrophobicContact CG2-CD1 3.64Å; I281-I322 HydrophobicContact CG2-CG1 3.53Å; I281-L431 HydrophobicContact CD1-CD1 3.92Å; I281-L431 HydrophobicContact CG1-CD1 3.36Å |
| 282 | K | 92.3 | Very high | 90.3 | Very high | 81 Ų | 81 | 44 Ų | 44 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -57.9 | -44.2 | 177.1 | -77.2 | 175 | -179.8 | -177.4 | 0 | 111 | W268 K278 S279 A280 V286 W287 | W268-K282 HydrophobicContact CZ2-CG 4.16Å; K278-K282 VanDerWaalsContact O-CG 3.31Å; K278-K282 WeakPolarHBondContact O-CG 3.04Å; K278-K282 PolarHBondContact O-N 3.4Å; S279-K282 PolarHBondContact O-N 3.1Å; A280-K282 VanDerWaalsContact C-N 3.34Å; A280-K282 PolarHBondContact O-N 2.87Å; K282-V286 HydrophobicContact CG-CG2 4.49Å; K282-V286 PolarHBondContact O-N 2.88Å; K282-W287 VanDerWaalsContact O-CG 3.29Å; K282-W287 PolarHBondContact O-N 3.27Å |
| 283 | E | 91 | Very high | 90.2 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 40% | 0.397 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -69 | -49.1 | 178.9 | -172.1 | -172.3 | 166.4 | 0 | 0 | 112.8 | S279 A280 I281 W287 P288 H543 | S279-E283 PolarHBondContact O-N 3.18Å; S279-E283 VanDerWaalsContact O-N 3.1Å; A280-E283 WeakPolarHBondContact O-CB 3.41Å; A280-E283 PolarHBondContact O-N 3.16Å; A280-E283 VanDerWaalsContact O-N 3.16Å; I281-E283 VanDerWaalsContact C-N 3.27Å; I281-E283 PolarHBondContact O-N 2.98Å; E283-W287 HydrophobicContact CB-CE3 4.17Å; E283-W287 HydrophobicContact CB-CZ3 4.12Å; E283-W287 HydrophobicContact CG-CE3 4.13Å; E283-W287 HydrophobicContact CG-CZ3 4Å; E283-P288 VanDerWaalsContact O-CD 3.23Å; E283-P288 WeakPolarHBondContact O-CD 3.43Å; E283-H543 IonicContact OE2-CE1 3.77Å; E283-H543 IonicContact OE2-ND1 2.74Å |
| 284 | I | 90.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -80 | -22.5 | -171.5 | 62.6 | 150.3 | 0 | 0 | 0 | 114.2 | A280 I281 V305 R429 L431 F541 | A280-I284 WeakPolarHBondContact O-CG1 3.42Å; A280-I284 PolarHBondContact O-N 3.39Å; I281-I284 PolarHBondContact O-N 3.28Å; I284-V305 HydrophobicContact CD1-CG1 4.35Å; I284-V305 HydrophobicContact CD1-CG2 3.91Å; I284-R429 HydrophobicContact CD1-CB 3.86Å; I284-R429 HydrophobicContact CD1-CG 3.93Å; I284-L431 HydrophobicContact CD1-CD1 4.28Å; I284-F541 HydrophobicContact CG2-CE1 4.13Å; I284-F541 HydrophobicContact CG2-CZ 4.26Å |
| 285 | V | 90.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -128.4 | -58.5 | -171.4 | 167.2 | 0 | 0 | 0 | 0 | 112.1 | I281 P288 M289 V305 I322 L408 | I281-V285 HydrophobicContact CG2-CB 4.48Å; I281-V285 WeakPolarHBondContact O-CB 3.15Å; I281-V285 PolarHBondContact O-N 2.9Å; V285-P288 WeakPolarHBondContact O-CD 3.34Å; V285-M289 WeakPolarHBondContact O-CB 3.36Å; V285-M289 VanDerWaalsContact O-CG 3.3Å; V285-M289 WeakPolarHBondContact O-CG 3.31Å; V285-M289 PolarHBondContact O-N 2.98Å; V285-M289 VanDerWaalsContact O-N 3.13Å; V285-V305 HydrophobicContact CG2-CG2 3.83Å; V285-I322 HydrophobicContact CG1-CG2 3.56Å; V285-L408 HydrophobicContact CB-CD2 4.26Å; V285-L408 HydrophobicContact CG1-CD2 3.38Å; V285-L408 HydrophobicContact CG2-CD1 4.3Å; V285-L408 HydrophobicContact CG2-CD2 3.79Å |
| 286 | V | 90.8 | Very high | 89.9 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -66.5 | -47.9 | -168.1 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | W268 I281 K282 M289 L290 Q325 | W268-V286 HydrophobicContact CZ2-CG2 4.16Å; I281-V286 HydrophobicContact CG2-CG2 4.41Å; I281-V286 PolarHBondContact O-N 3.48Å; K282-V286 HydrophobicContact CG-CG2 4.49Å; K282-V286 PolarHBondContact O-N 2.88Å; V286-M289 PolarHBondContact O-N 3.18Å; V286-L290 HydrophobicContact CG1-CD1 3.77Å; V286-L290 HydrophobicContact CG1-CG 4.33Å; V286-L290 WeakPolarHBondContact O-CG 3.5Å; V286-L290 PolarHBondContact O-N 3.13Å; V286-Q325 HydrophobicContact CG1-CB 4.4Å; V286-Q325 HydrophobicContact CG2-CB 4.46Å |
| 287 | W | 91.4 | Very high | 89.7 | Confident | 123 Ų | 123 | 48.5 Ų | 48.5 | 47% | 0.466 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 179.5 | -64.2 | -13.6 | 0 | 0 | 0 | 113.3 | K282 E283 M289 L290 R291 F295 | K282-W287 VanDerWaalsContact O-CG 3.29Å; K282-W287 PolarHBondContact O-N 3.27Å; E283-W287 HydrophobicContact CB-CE3 4.17Å; E283-W287 HydrophobicContact CB-CZ3 4.12Å; E283-W287 HydrophobicContact CG-CE3 4.13Å; E283-W287 HydrophobicContact CG-CZ3 4Å; W287-M289 VanDerWaalsContact C-N 3.3Å; W287-M289 PolarHBondContact O-N 3.16Å; W287-L290 PolarHBondContact O-N 3.32Å; W287-R291 PolarHBondContact O-N 3.34Å; W287-F295 HydrophobicContact CB-CE2 3.62Å; W287-F295 HydrophobicContact CB-CZ 3.56Å; W287-F295 HydrophobicContact CE3-CZ 4.27Å |
| 288 | P | 89 | Confident | 89.4 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.8 | -39.5 | 172.5 | -26.7 | 29.4 | 0 | 0 | 0 | 114.9 | E283 V285 F295 P301 | E283-P288 VanDerWaalsContact O-CD 3.23Å; E283-P288 WeakPolarHBondContact O-CD 3.43Å; V285-P288 WeakPolarHBondContact O-CD 3.34Å; P288-F295 HydrophobicContact CB-CB 3.9Å; P288-F295 HydrophobicContact CB-CD1 4.12Å; P288-F295 HydrophobicContact CB-CD2 4.31Å; P288-F295 HydrophobicContact CB-CG 3.86Å; P288-F295 HydrophobicContact CG-CB 4.32Å; P288-F295 HydrophobicContact CG-CD1 3.58Å; P288-F295 HydrophobicContact CG-CD2 4.32Å; P288-F295 HydrophobicContact CG-CE1 3.87Å; P288-F295 HydrophobicContact CG-CG 3.82Å; P288-F295 HydrophobicContact CG-CZ 4.37Å; P288-P301 HydrophobicContact CB-CB 3.58Å; P288-P301 HydrophobicContact CB-CG 3.87Å; P288-P301 HydrophobicContact CG-CB 4.1Å |
| 289 | M | 87.9 | Confident | 89.1 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.069 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 179.3 | -73.6 | -73.7 | 105.8 | 0 | 0 | 112.3 | V285 V286 W287 P301 C326 R406 | V285-M289 WeakPolarHBondContact O-CB 3.36Å; V285-M289 VanDerWaalsContact O-CG 3.3Å; V285-M289 WeakPolarHBondContact O-CG 3.31Å; V285-M289 PolarHBondContact O-N 2.98Å; V285-M289 VanDerWaalsContact O-N 3.13Å; V286-M289 PolarHBondContact O-N 3.18Å; W287-M289 VanDerWaalsContact C-N 3.3Å; W287-M289 PolarHBondContact O-N 3.16Å; M289-P301 HydrophobicContact CE-CG 4.05Å; M289-C326 HydrophobicContact CB-CB 4.14Å; M289-C326 HydrophobicContact CG-CB 4.4Å; M289-R406 HydrophobicContact CE-CB 4.02Å; M289-R406 HydrophobicContact CE-CG 4.36Å; M289-R406 HydrophobicContact SD-CB 4.08Å |
| 290 | L | 87 | Confident | 88.7 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -79.4 | -33.4 | 179.4 | -68.3 | 177 | 0 | 0 | 0 | 113.3 | V286 W287 P292 | V286-L290 HydrophobicContact CG1-CD1 3.77Å; V286-L290 HydrophobicContact CG1-CG 4.33Å; V286-L290 WeakPolarHBondContact O-CG 3.5Å; V286-L290 PolarHBondContact O-N 3.13Å; W287-L290 PolarHBondContact O-N 3.32Å; L290-P292 VanDerWaalsContact C-CD 3.44Å |
| 291 | R | 88.2 | Confident | 88.4 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | trans | -129 | 62.2 | -175.4 | -67 | -61.9 | -60.1 | -84.9 | -2.8 | 112.2 | W287 D293 I294 F295 | W287-R291 PolarHBondContact O-N 3.34Å; R291-D293 VanDerWaalsContact CA-OD1 3.25Å; R291-D293 WeakPolarHBondContact CA-OD1 3.31Å; R291-D293 WeakPolarHBondContact CB-OD1 3.42Å; R291-D293 IonicContact CZ-OD1 2.74Å; R291-D293 IonicContact CZ-OD2 3.87Å; R291-D293 IonicContact NE-OD1 3.9Å; R291-D293 PolarHBondContact NE-OD1 3.29Å; R291-D293 IonicContact NE-OD2 2.73Å; R291-D293 PolarHBondContact NE-OD2 3.03Å; R291-D293 IonicContact NH2-OD1 3.29Å; R291-D293 IonicContact NH2-OD2 3.7Å; R291-D293 PolarHBondContact NH2-OD2 3.44Å; R291-D293 PolarHBondContact O-N 3.03Å; R291-I294 HydrophobicContact CB-CD1 4.27Å; R291-I294 HydrophobicContact CB-CG1 4.48Å; R291-I294 PolarHBondContact O-N 3.2Å; R291-F295 HydrophobicContact CB-CD2 4.48Å; R291-F295 WeakPolarHBondContact O-CD2 3.39Å; R291-F295 PolarHBondContact O-N 2.91Å | ||
| 292 | P | 86.7 | Confident | 88 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.5 | 179 | 27 | -35.8 | 0 | 0 | 0 | 113 | L290 I294 T296 | L290-P292 VanDerWaalsContact C-CD 3.44Å; P292-I294 VanDerWaalsContact C-N 3.33Å; P292-I294 PolarHBondContact O-N 3.47Å; P292-T296 VanDerWaalsContact O-CG2 3.25Å; P292-T296 WeakPolarHBondContact O-CG2 3.43Å |
| 293 | D | 88.3 | Confident | 87.7 | Confident | 95 Ų | 95 | 65.7 Ų | 65.7 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -33.6 | 173.8 | 61.1 | -52.2 | 0 | 0 | 0 | 113.3 | R291 | R291-D293 VanDerWaalsContact CA-OD1 3.25Å; R291-D293 WeakPolarHBondContact CA-OD1 3.31Å; R291-D293 WeakPolarHBondContact CB-OD1 3.42Å; R291-D293 IonicContact CZ-OD1 2.74Å; R291-D293 IonicContact CZ-OD2 3.87Å; R291-D293 IonicContact NE-OD1 3.9Å; R291-D293 PolarHBondContact NE-OD1 3.29Å; R291-D293 IonicContact NE-OD2 2.73Å; R291-D293 PolarHBondContact NE-OD2 3.03Å; R291-D293 IonicContact NH2-OD1 3.29Å; R291-D293 IonicContact NH2-OD2 3.7Å; R291-D293 PolarHBondContact NH2-OD2 3.44Å; R291-D293 PolarHBondContact O-N 3.03Å |
| 294 | I | 90.3 | Very high | 87.8 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -38.7 | -179.8 | -59.3 | 175.6 | 0 | 0 | 0 | 110.9 | R291 P292 T296 | R291-I294 HydrophobicContact CB-CD1 4.27Å; R291-I294 HydrophobicContact CB-CG1 4.48Å; R291-I294 PolarHBondContact O-N 3.2Å; P292-I294 VanDerWaalsContact C-N 3.33Å; P292-I294 PolarHBondContact O-N 3.47Å; I294-T296 VanDerWaalsContact C-N 3.26Å; I294-T296 PolarHBondContact O-N 3.42Å |
| 295 | F | 88.1 | Confident | 88 | Confident | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -88.4 | 61.3 | -173.6 | -70.1 | -90.8 | 0 | 0 | 0 | 111.5 | W287 P288 R291 R299 | W287-F295 HydrophobicContact CB-CE2 3.62Å; W287-F295 HydrophobicContact CB-CZ 3.56Å; W287-F295 HydrophobicContact CE3-CZ 4.27Å; P288-F295 HydrophobicContact CB-CB 3.9Å; P288-F295 HydrophobicContact CB-CD1 4.12Å; P288-F295 HydrophobicContact CB-CD2 4.31Å; P288-F295 HydrophobicContact CB-CG 3.86Å; P288-F295 HydrophobicContact CG-CB 4.32Å; P288-F295 HydrophobicContact CG-CD1 3.58Å; P288-F295 HydrophobicContact CG-CD2 4.32Å; P288-F295 HydrophobicContact CG-CE1 3.87Å; P288-F295 HydrophobicContact CG-CG 3.82Å; P288-F295 HydrophobicContact CG-CZ 4.37Å; R291-F295 HydrophobicContact CB-CD2 4.48Å; R291-F295 WeakPolarHBondContact O-CD2 3.39Å; R291-F295 PolarHBondContact O-N 2.91Å; F295-R299 WeakPolarHBondContact CB-O 3.49Å; F295-R299 HydrophobicContact CD1-CB 4.26Å; F295-R299 WeakPolarHBondContact CD1-O 3.18Å |
| 296 | T | 84.6 | Confident | 88.3 | Confident | 84 Ų | 84 | 61 Ų | 61 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | trans | -108.1 | 160 | 178.9 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | P292 I294 L298 R299 | P292-T296 VanDerWaalsContact O-CG2 3.25Å; P292-T296 WeakPolarHBondContact O-CG2 3.43Å; I294-T296 VanDerWaalsContact C-N 3.26Å; I294-T296 PolarHBondContact O-N 3.42Å; T296-L298 PolarHBondContact O-N 2.98Å; T296-R299 PolarHBondContact O-N 3.08Å; T296-R299 VanDerWaalsContact O-N 3.1Å | ||
| 297 | G | 85.3 | Confident | 88.6 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 68% | 0.68 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | 61.2 | -124.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R299 A300 | G297-R299 PolarHBondContact O-N 2.99Å; G297-A300 VanDerWaalsContact O-CB 3.22Å; G297-A300 WeakPolarHBondContact O-CB 3.27Å; G297-A300 PolarHBondContact O-N 3.14Å; G297-A300 VanDerWaalsContact O-N 3.09Å |
| 298 | L | 86.4 | Confident | 88.9 | Confident | 188 Ų | 188 | 54.8 Ų | 54.8 | 98% | 0.984 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -65.3 | -18.8 | 178.3 | -66.9 | 179.6 | 0 | 0 | 0 | 113.9 | T296 A300 | T296-L298 PolarHBondContact O-N 2.98Å; L298-A300 VanDerWaalsContact C-N 3.29Å |
| 299 | R | 86 | Confident | 89.2 | Confident | 161 Ų | 161 | 54.6 Ų | 54.6 | 61% | 0.608 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -87.8 | 4.6 | 176 | -70.2 | -179.7 | -94.5 | -174.7 | -8.2 | 112.7 | F295 T296 G297 | F295-R299 WeakPolarHBondContact CB-O 3.49Å; F295-R299 HydrophobicContact CD1-CB 4.26Å; F295-R299 WeakPolarHBondContact CD1-O 3.18Å; T296-R299 PolarHBondContact O-N 3.08Å; T296-R299 VanDerWaalsContact O-N 3.1Å; G297-R299 PolarHBondContact O-N 2.99Å |
| 300 | A | 84.1 | Confident | 89.5 | Confident | 58 Ų | 58 | 54 Ų | 54 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -56 | 144.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | G297 L298 | G297-A300 VanDerWaalsContact O-CB 3.22Å; G297-A300 WeakPolarHBondContact O-CB 3.27Å; G297-A300 PolarHBondContact O-N 3.14Å; G297-A300 VanDerWaalsContact O-N 3.09Å; L298-A300 VanDerWaalsContact C-N 3.29Å |
| 301 | P | 85.1 | Confident | 89.8 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 150.8 | 178.5 | 19.6 | -27.5 | 0 | 0 | 0 | 111.7 | P288 M289 K303 | P288-P301 HydrophobicContact CB-CB 3.58Å; P288-P301 HydrophobicContact CB-CG 3.87Å; P288-P301 HydrophobicContact CG-CB 4.1Å; M289-P301 HydrophobicContact CE-CG 4.05Å; P301-K303 PolarHBondContact O-N 2.95Å |
| 302 | S | 84.7 | Confident | 90 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 12% | 0.119 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 128 | 169.1 | 54.4 | 0 | 0 | 0 | 0 | 110 | G304 V305 L408 T428 | S302-G304 PolarHBondContact O-N 3.07Å; S302-V305 WeakPolarHBondContact OG-CG2 3.43Å; S302-L408 VanDerWaalsContact O-CD1 3.27Å; S302-L408 WeakPolarHBondContact O-CD1 3.37Å; S302-T428 WeakPolarHBondContact CB-OG1 3.47Å |
| 303 | K | 86.7 | Confident | 90.4 | Very high | 86 Ų | 86 | 47.4 Ų | 47.4 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -62.9 | -30.6 | 176.9 | -56.5 | -177.9 | -180 | -159.1 | 0 | 113.1 | P301 E397 V399 V409 | P301-K303 PolarHBondContact O-N 2.95Å; K303-E397 PolarHBondContact NZ-O 3.45Å; K303-V399 HydrophobicContact CB-CG1 4.42Å; K303-V399 HydrophobicContact CD-CB 4.48Å; K303-V399 WeakPolarHBondContact CD-O 3.24Å; K303-V399 WeakPolarHBondContact CE-O 3.16Å; K303-V399 PolarHBondContact NZ-O 3.02Å; K303-V409 PolarHBondContact O-N 3.44Å; K303-V409 VanDerWaalsContact O-N 3.1Å |
| 304 | G | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 127 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S302 V409 F427 T428 | S302-G304 PolarHBondContact O-N 3.07Å; G304-V409 VanDerWaalsContact CA-O 3.31Å; G304-V409 WeakPolarHBondContact CA-O 3.32Å; G304-F427 CarbonylContact O-C 3.46Å; G304-T428 PolarHBondContact O-N 3.47Å; G304-T428 VanDerWaalsContact O-N 3.15Å |
| 305 | V | 95 | Very high | 90.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.2 | 172.6 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | I284 V285 S302 L307 L408 V409 I410 G411 F427 R429 L431 | I284-V305 HydrophobicContact CD1-CG1 4.35Å; I284-V305 HydrophobicContact CD1-CG2 3.91Å; V285-V305 HydrophobicContact CG2-CG2 3.83Å; S302-V305 WeakPolarHBondContact OG-CG2 3.43Å; V305-L307 HydrophobicContact CG1-CD2 4.2Å; V305-L408 HydrophobicContact CG2-CD1 4.08Å; V305-V409 PolarHBondContact N-O 2.96Å; V305-I410 CarbonylContact O-C 3.6Å; V305-I410 VanDerWaalsContact O-CA 3.29Å; V305-I410 WeakPolarHBondContact O-CA 3.42Å; V305-G411 PolarHBondContact O-N 3.23Å; V305-F427 WeakPolarHBondContact O-CD1 3.44Å; V305-R429 CarbonylContact C-O 3.49Å; V305-R429 WeakPolarHBondContact CA-O 3.44Å; V305-R429 HydrophobicContact CG2-CB 4.25Å; V305-L431 HydrophobicContact CG1-CD1 4.04Å; V305-L431 HydrophobicContact CG1-CG 4.48Å |
| 306 | L | 96.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.2 | 174 | -176.3 | 74.6 | 0 | 0 | 0 | 109.8 | V370 G411 T413 L419 F427 R429 R430 L431 W535 | L306-V370 HydrophobicContact CD1-CG2 3.76Å; L306-G411 CarbonylContact C-O 3.48Å; L306-G411 WeakPolarHBondContact CA-O 3.3Å; L306-T413 HydrophobicContact CD1-CG2 4.03Å; L306-T413 HydrophobicContact CD2-CG2 4.42Å; L306-T413 HydrophobicContact CG-CG2 4.42Å; L306-L419 HydrophobicContact CD1-CD1 4.07Å; L306-L419 HydrophobicContact CD2-CD1 3.59Å; L306-F427 HydrophobicContact CB-CB 3.81Å; L306-F427 HydrophobicContact CB-CD1 4.32Å; L306-F427 HydrophobicContact CB-CG 4.03Å; L306-F427 HydrophobicContact CD1-CD2 4.36Å; L306-F427 HydrophobicContact CD1-CG 4.48Å; L306-R429 PolarHBondContact N-O 3.49Å; L306-R430 HydrophobicContact CB-CB 4.19Å; L306-R430 HydrophobicContact CB-CG 3.94Å; L306-R430 HydrophobicContact CD2-CB 4.35Å; L306-R430 HydrophobicContact CD2-CG 4.02Å; L306-R430 CarbonylContact O-C 3.58Å; L306-R430 VanDerWaalsContact O-CA 3.31Å; L306-R430 WeakPolarHBondContact O-CA 3.18Å; L306-L431 PolarHBondContact O-N 3.5Å; L306-W535 HydrophobicContact CD2-CH2 3.93Å |
| 307 | L | 97 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.7 | 168.1 | -53.3 | -177.4 | 0 | 0 | 0 | 108.3 | V305 K315 I318 I410 G411 A412 T413 L431 I433 | V305-L307 HydrophobicContact CG1-CD2 4.2Å; L307-K315 HydrophobicContact CB-CB 4.34Å; L307-K315 HydrophobicContact CB-CD 4.38Å; L307-K315 HydrophobicContact CB-CG 4.24Å; L307-K315 WeakPolarHBondContact CD1-O 3.41Å; L307-I318 HydrophobicContact CD1-CB 4.19Å; L307-I318 HydrophobicContact CD1-CG2 3.94Å; L307-I410 HydrophobicContact CD1-CG2 3.93Å; L307-I410 HydrophobicContact CG-CG2 3.94Å; L307-G411 PolarHBondContact N-O 3.32Å; L307-A412 WeakPolarHBondContact O-CA 3.5Å; L307-T413 PolarHBondContact O-N 3.09Å; L307-L431 HydrophobicContact CD2-CB 3.99Å; L307-L431 HydrophobicContact CD2-CD1 3.96Å; L307-I433 HydrophobicContact CB-CG1 4.4Å; L307-I433 HydrophobicContact CD2-CD1 4.45Å |
| 308 | F | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.4 | 179.4 | 72.1 | -84.1 | 0 | 0 | 0 | 111.9 | T413 P416 R430 L431 Y432 I433 Y532 W535 N536 | F308-T413 WeakPolarHBondContact CA-O 3.26Å; F308-T413 HydrophobicContact CB-CG2 3.8Å; F308-P416 HydrophobicContact CB-CB 4Å; F308-P416 HydrophobicContact CB-CG 4.2Å; F308-P416 HydrophobicContact CD2-CB 4.2Å; F308-P416 HydrophobicContact CD2-CG 3.85Å; F308-P416 HydrophobicContact CG-CB 4.19Å; F308-P416 HydrophobicContact CG-CG 4.29Å; F308-R430 HydrophobicContact CD1-CB 4.18Å; F308-R430 HydrophobicContact CE1-CB 3.92Å; F308-L431 VanDerWaalsContact CD1-O 3.26Å; F308-L431 WeakPolarHBondContact CD1-O 3.32Å; F308-L431 VanDerWaalsContact CE1-C 3.41Å; F308-L431 PolarHBondContact N-O 3.41Å; F308-Y432 AromaticContact CD2-CD2 3.95Å; F308-Y432 HydrophobicContact CD2-CD2 3.95Å; F308-Y432 AromaticContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CG 4.02Å; F308-Y432 VanDerWaalsContact CZ-CB 3.5Å; F308-Y432 HydrophobicContact CZ-CD2 4.19Å; F308-Y432 HydrophobicContact CZ-CG 4.2Å; F308-Y432 CarbonylContact O-C 3.57Å; F308-Y432 WeakPolarHBondContact O-CA 3.48Å; F308-I433 PolarHBondContact O-N 3.49Å; F308-Y532 HydrophobicContact CD2-CD1 4.41Å; F308-W535 HydrophobicContact CD1-CE3 4.24Å; F308-W535 HydrophobicContact CD1-CH2 4.44Å; F308-W535 AromaticContact CD1-CZ3 3.64Å; F308-W535 HydrophobicContact CD1-CZ3 3.64Å; F308-W535 AromaticContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CZ3 4.14Å; F308-W535 AromaticContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CH2 4.48Å; F308-W535 AromaticContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE2-CD2 4.49Å; F308-W535 AromaticContact CE2-CE3 3.47Å; F308-W535 HydrophobicContact CE2-CE3 3.47Å; F308-W535 VanDerWaalsContact CE2-CE3 3.47Å; F308-W535 AromaticContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CG-CE3 4.27Å; F308-W535 HydrophobicContact CG-CZ3 4.01Å; F308-W535 AromaticContact CZ-CE3 3.41Å; F308-W535 HydrophobicContact CZ-CE3 3.41Å; F308-W535 VanDerWaalsContact CZ-CE3 3.41Å; F308-W535 AromaticContact CZ-CZ3 3.49Å; F308-W535 HydrophobicContact CZ-CZ3 3.49Å; F308-W535 VanDerWaalsContact CZ-CZ3 3.49Å; F308-N536 HydrophobicContact CE2-CB 4.11Å; F308-N536 HydrophobicContact CZ-CB 3.8Å |
| 309 | G | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 151.5 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K315 T413 N414 | G309-K315 PolarHBondContact O-NZ 3.41Å; G309-T413 PolarHBondContact N-O 3.13Å; G309-N414 PolarHBondContact O-OD1 2.92Å |
| 310 | P | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -53.5 | 154.5 | -179.9 | -24.8 | 32.8 | 0 | 0 | 0 | 113.3 | T313 K315 L435 V524 Y532 | P310-T313 HydrophobicContact CB-CG2 4.07Å; P310-T313 HydrophobicContact CG-CG2 4.49Å; P310-T313 WeakPolarHBondContact O-CG2 3.32Å; P310-T313 PolarHBondContact O-OG1 2.92Å; P310-T313 VanDerWaalsContact O-OG1 3.06Å; P310-K315 PolarHBondContact O-NZ 3.41Å; P310-L435 HydrophobicContact CB-CD2 4.17Å; P310-L435 HydrophobicContact CG-CD2 4.33Å; P310-L435 HydrophobicContact CG-CG 4.39Å; P310-V524 HydrophobicContact CB-CG1 3.99Å; P310-V524 HydrophobicContact CB-CG2 4.08Å; P310-V524 HydrophobicContact CG-CG1 4.38Å; P310-Y532 HydrophobicContact CB-CE2 4.47Å; P310-Y532 HydrophobicContact CG-CD2 4.05Å; P310-Y532 HydrophobicContact CG-CE2 3.85Å |
| 311 | P | 93.6 | Very high | 93 | Very high | 42 Ų | 42 | 19 Ų | 19 | 27% | 0.273 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 152.3 | 173.2 | 28.1 | -34.7 | 0 | 0 | 0 | 111 | T313 S475 V524 | P311-T313 VanDerWaalsContact C-N 3.32Å; P311-T313 PolarHBondContact O-N 2.93Å; P311-S475 WeakPolarHBondContact O-CB 3.33Å; P311-V524 HydrophobicContact CG-CG2 4.43Å |
| 312 | G | 92.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 16.9 Ų | 16.9 | 26% | 0.258 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 9.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G476 A477 | G312-G476 WeakPolarHBondContact O-CA 3.42Å; G312-G476 PolarHBondContact O-N 3.27Å; G312-A477 PolarHBondContact O-N 3.44Å |
| 313 | T | 93.7 | Very high | 93.8 | Very high | 15 Ų | 15 | 16.1 Ų | 16.1 | 9% | 0.092 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -89.2 | -0.7 | 178.1 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | P310 P311 I433 P434 L435 | P310-T313 HydrophobicContact CB-CG2 4.07Å; P310-T313 HydrophobicContact CG-CG2 4.49Å; P310-T313 WeakPolarHBondContact O-CG2 3.32Å; P310-T313 PolarHBondContact O-OG1 2.92Å; P310-T313 VanDerWaalsContact O-OG1 3.06Å; P311-T313 VanDerWaalsContact C-N 3.32Å; P311-T313 PolarHBondContact O-N 2.93Å; T313-I433 WeakPolarHBondContact OG1-CG2 3.44Å; T313-I433 PolarHBondContact OG1-O 3.05Å; T313-P434 WeakPolarHBondContact CG2-O 3.5Å; T313-L435 HydrophobicContact CG2-CD2 4.03Å |
| 314 | G | 92.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 14 Ų | 14 | 29% | 0.289 | 10% | 0.095 | S | C | . | . | S | Bend | trans | 94.2 | 19.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | T316 L317 I318 | G314-T316 VanDerWaalsContact C-N 3.32Å; G314-T316 PolarHBondContact O-N 2.86Å; G314-L317 WeakPolarHBondContact O-CB 3.3Å; G314-L317 PolarHBondContact O-N 2.8Å; G314-L317 VanDerWaalsContact O-N 3.1Å; G314-I318 WeakPolarHBondContact O-CG1 3.46Å; G314-I318 PolarHBondContact O-N 2.77Å |
| 315 | K | 95.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 17.1 Ų | 17.1 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -50.5 | -47.7 | 176.5 | -66 | -175.9 | -69.9 | -77 | 0 | 113.2 | L307 G309 P310 I318 G319 A412 T413 N414 I433 | L307-K315 HydrophobicContact CB-CB 4.34Å; L307-K315 HydrophobicContact CB-CD 4.38Å; L307-K315 HydrophobicContact CB-CG 4.24Å; L307-K315 WeakPolarHBondContact CD1-O 3.41Å; G309-K315 PolarHBondContact O-NZ 3.41Å; P310-K315 PolarHBondContact O-NZ 3.41Å; K315-I318 PolarHBondContact O-N 2.91Å; K315-G319 PolarHBondContact O-N 3.4Å; K315-A412 HydrophobicContact CB-CB 4.13Å; K315-A412 HydrophobicContact CD-CB 4.47Å; K315-T413 WeakPolarHBondContact CE-O 3.28Å; K315-N414 WeakPolarHBondContact CE-OD1 3.11Å; K315-N414 PolarHBondContact NZ-OD1 3.12Å; K315-I433 HydrophobicContact CG-CB 4.22Å; K315-I433 HydrophobicContact CG-CG1 3.99Å |
| 316 | T | 92.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 17.3 Ų | 17.3 | 39% | 0.387 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 177.9 | -42.6 | 0 | 0 | 0 | 0 | 112.1 | G314 G319 S320 F366 D368 | G314-T316 VanDerWaalsContact C-N 3.32Å; G314-T316 PolarHBondContact O-N 2.86Å; T316-G319 PolarHBondContact O-N 3.31Å; T316-S320 PolarHBondContact O-N 3.39Å; T316-F366 HydrophobicContact CG2-CE1 3.8Å; T316-F366 HydrophobicContact CG2-CZ 4.17Å; T316-D368 PolarHBondContact OG1-OD2 3.14Å; T316-D368 VanDerWaalsContact OG1-OD2 3.09Å |
| 317 | L | 93.2 | Very high | 93.4 | Very high | 54 Ų | 54 | 25.7 Ų | 25.7 | 28% | 0.283 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 176.6 | -169.3 | 155.8 | 0 | 0 | 0 | 111.1 | Y266 V271 G314 S320 C321 | Y266-L317 HydrophobicContact CD1-CD1 4.47Å; Y266-L317 HydrophobicContact CD1-CG 4.32Å; Y266-L317 HydrophobicContact CG-CG 4.3Å; V271-L317 HydrophobicContact CB-CD2 4.23Å; V271-L317 HydrophobicContact CG2-CD2 3.24Å; G314-L317 WeakPolarHBondContact O-CB 3.3Å; G314-L317 PolarHBondContact O-N 2.8Å; G314-L317 VanDerWaalsContact O-N 3.1Å; L317-S320 PolarHBondContact O-N 3.29Å; L317-C321 WeakPolarHBondContact O-CB 3.33Å; L317-C321 PolarHBondContact O-N 2.94Å |
| 318 | I | 94.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 175 | -66.7 | 166.1 | 0 | 0 | 0 | 110.7 | V271 L274 I281 L307 G314 K315 S320 C321 I322 I433 | V271-I318 HydrophobicContact CG1-CG1 4.27Å; V271-I318 HydrophobicContact CG2-CG1 4.28Å; L274-I318 HydrophobicContact CD1-CD1 3.79Å; I281-I318 HydrophobicContact CD1-CG2 3.64Å; L307-I318 HydrophobicContact CD1-CB 4.19Å; L307-I318 HydrophobicContact CD1-CG2 3.94Å; G314-I318 WeakPolarHBondContact O-CG1 3.46Å; G314-I318 PolarHBondContact O-N 2.77Å; K315-I318 PolarHBondContact O-N 2.91Å; I318-S320 VanDerWaalsContact C-N 3.35Å; I318-S320 PolarHBondContact O-N 2.76Å; I318-C321 WeakPolarHBondContact O-CB 3.26Å; I318-C321 PolarHBondContact O-N 2.86Å; I318-I322 HydrophobicContact CG2-CD1 3.94Å; I318-I322 HydrophobicContact CG2-CG1 4.42Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.48Å; I318-I322 PolarHBondContact O-N 2.78Å; I318-I433 HydrophobicContact CD1-CD1 3.78Å; I318-I433 HydrophobicContact CD1-CG1 4.21Å; I318-I433 HydrophobicContact CD1-CG2 4.03Å |
| 319 | G | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K315 T316 I322 A323 | K315-G319 PolarHBondContact O-N 3.4Å; T316-G319 PolarHBondContact O-N 3.31Å; G319-I322 PolarHBondContact O-N 3.29Å; G319-A323 PolarHBondContact O-N 2.83Å |
| 320 | S | 92.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 176.1 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | Y266 T316 L317 I318 I322 A323 S324 | Y266-S320 WeakPolarHBondContact CD2-OG 3.46Å; T316-S320 PolarHBondContact O-N 3.39Å; L317-S320 PolarHBondContact O-N 3.29Å; I318-S320 VanDerWaalsContact C-N 3.35Å; I318-S320 PolarHBondContact O-N 2.76Å; S320-I322 PolarHBondContact O-N 3.03Å; S320-A323 PolarHBondContact O-N 3.3Å; S320-S324 PolarHBondContact O-N 2.79Å |
| 321 | C | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | Y266 S267 W268 V271 L317 I318 A323 S324 Q325 | Y266-C321 WeakPolarHBondContact O-CA 3.26Å; S267-C321 PolarHBondContact O-SG 3.15Å; S267-C321 VanDerWaalsContact O-SG 3.41Å; W268-C321 PolarHBondContact N-SG 2.85Å; V271-C321 HydrophobicContact CG2-CB 4.47Å; L317-C321 WeakPolarHBondContact O-CB 3.33Å; L317-C321 PolarHBondContact O-N 2.94Å; I318-C321 WeakPolarHBondContact O-CB 3.26Å; I318-C321 PolarHBondContact O-N 2.86Å; C321-A323 VanDerWaalsContact C-N 3.33Å; C321-A323 PolarHBondContact O-N 3.41Å; C321-S324 PolarHBondContact O-N 3.46Å; C321-Q325 WeakPolarHBondContact O-CB 3.4Å; C321-Q325 WeakPolarHBondContact O-CG 3.43Å; C321-Q325 PolarHBondContact O-N 3.49Å |
| 322 | I | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.6 | -48 | 176.2 | -70.8 | 165.7 | 0 | 0 | 0 | 111 | W268 I281 V285 I318 G319 S320 S324 Q325 C326 L408 I410 | W268-I322 HydrophobicContact CH2-CG1 4.25Å; I281-I322 HydrophobicContact CD1-CD1 4.19Å; I281-I322 HydrophobicContact CG1-CD1 4.48Å; I281-I322 HydrophobicContact CG2-CD1 3.64Å; I281-I322 HydrophobicContact CG2-CG1 3.53Å; V285-I322 HydrophobicContact CG1-CG2 3.56Å; I318-I322 HydrophobicContact CG2-CD1 3.94Å; I318-I322 HydrophobicContact CG2-CG1 4.42Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.48Å; I318-I322 PolarHBondContact O-N 2.78Å; G319-I322 PolarHBondContact O-N 3.29Å; S320-I322 PolarHBondContact O-N 3.03Å; I322-S324 PolarHBondContact O-N 3.13Å; I322-Q325 PolarHBondContact O-N 2.89Å; I322-C326 WeakPolarHBondContact O-CB 3.33Å; I322-C326 PolarHBondContact O-N 3.46Å; I322-C326 PolarHBondContact O-SG 3.35Å; I322-L408 HydrophobicContact CG2-CD2 4.25Å; I322-I410 HydrophobicContact CB-CD1 4.17Å; I322-I410 HydrophobicContact CD1-CD1 3.79Å; I322-I410 HydrophobicContact CG2-CD1 3.91Å |
| 323 | A | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A264 G319 S320 C321 Q325 C326 K327 A328 F330 V364 | A264-A323 HydrophobicContact CB-CB 3.94Å; G319-A323 PolarHBondContact O-N 2.83Å; S320-A323 PolarHBondContact O-N 3.3Å; C321-A323 VanDerWaalsContact C-N 3.33Å; C321-A323 PolarHBondContact O-N 3.41Å; A323-Q325 PolarHBondContact O-N 3.23Å; A323-C326 PolarHBondContact O-N 3.25Å; A323-K327 PolarHBondContact O-N 3.28Å; A323-K327 VanDerWaalsContact O-N 3.15Å; A323-A328 PolarHBondContact O-N 3.26Å; A323-F330 HydrophobicContact CB-CB 3.72Å; A323-F330 HydrophobicContact CB-CD2 3.42Å; A323-F330 VanDerWaalsContact CB-CD2 3.42Å; A323-F330 HydrophobicContact CB-CE2 4.26Å; A323-F330 HydrophobicContact CB-CG 3.84Å; A323-V364 HydrophobicContact CB-CB 3.96Å; A323-V364 HydrophobicContact CB-CG1 4.34Å; A323-V364 HydrophobicContact CB-CG2 4.03Å |
| 324 | S | 92.7 | Very high | 92.9 | Very high | 41 Ų | 41 | 26.6 Ų | 26.6 | 29% | 0.287 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.1 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | A264 Y266 S320 C321 I322 C326 K327 | A264-S324 VanDerWaalsContact O-CB 3.26Å; A264-S324 WeakPolarHBondContact O-CB 3.21Å; A264-S324 PolarHBondContact O-OG 2.93Å; Y266-S324 VanDerWaalsContact O-CB 3.26Å; Y266-S324 WeakPolarHBondContact O-CB 3.42Å; S320-S324 PolarHBondContact O-N 2.79Å; C321-S324 PolarHBondContact O-N 3.46Å; I322-S324 PolarHBondContact O-N 3.13Å; S324-C326 VanDerWaalsContact C-N 3.32Å; S324-C326 PolarHBondContact O-N 3.31Å; S324-K327 PolarHBondContact O-N 2.95Å; S324-K327 VanDerWaalsContact O-N 3.07Å |
| 325 | Q | 91.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 25.2 Ų | 25.2 | 31% | 0.308 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -70.3 | -28.5 | -178.6 | -64.6 | -71.4 | -43.9 | 0 | 0 | 112.8 | W268 V286 C321 I322 A323 K327 | W268-Q325 VanDerWaalsContact CD1-OE1 3.23Å; W268-Q325 HydrophobicContact CG-CG 4.42Å; W268-Q325 HydrophobicContact CZ2-CG 4.43Å; W268-Q325 VanDerWaalsContact NE1-CG 3.33Å; V286-Q325 HydrophobicContact CG1-CB 4.4Å; V286-Q325 HydrophobicContact CG2-CB 4.46Å; C321-Q325 WeakPolarHBondContact O-CB 3.4Å; C321-Q325 WeakPolarHBondContact O-CG 3.43Å; C321-Q325 PolarHBondContact O-N 3.49Å; I322-Q325 PolarHBondContact O-N 2.89Å; A323-Q325 PolarHBondContact O-N 3.23Å; Q325-K327 VanDerWaalsContact C-N 3.3Å |
| 326 | C | 89 | Confident | 92.2 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -4.6 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | M289 I322 A323 S324 A328 | M289-C326 HydrophobicContact CB-CB 4.14Å; M289-C326 HydrophobicContact CG-CB 4.4Å; I322-C326 WeakPolarHBondContact O-CB 3.33Å; I322-C326 PolarHBondContact O-N 3.46Å; I322-C326 PolarHBondContact O-SG 3.35Å; A323-C326 PolarHBondContact O-N 3.25Å; S324-C326 VanDerWaalsContact C-N 3.32Å; S324-C326 PolarHBondContact O-N 3.31Å; C326-A328 HydrophobicContact CB-CB 4.02Å; C326-A328 PolarHBondContact O-N 3.03Å |
| 327 | K | 88.7 | Confident | 91.7 | Very high | 179 Ų | 179 | 25.6 Ų | 25.6 | 78% | 0.778 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 41.2 | -169.8 | -57.5 | -179.3 | 179.5 | -178.6 | 0 | 111.9 | A323 S324 Q325 | A323-K327 PolarHBondContact O-N 3.28Å; A323-K327 VanDerWaalsContact O-N 3.15Å; S324-K327 PolarHBondContact O-N 2.95Å; S324-K327 VanDerWaalsContact O-N 3.07Å; Q325-K327 VanDerWaalsContact C-N 3.3Å |
| 328 | A | 90.7 | Very high | 91.2 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 10% | 0.099 | 13% | 0.13 | C | C | . | . | trans | -105.8 | 151.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A323 C326 F330 P362 V364 | A323-A328 PolarHBondContact O-N 3.26Å; C326-A328 HydrophobicContact CB-CB 4.02Å; C326-A328 PolarHBondContact O-N 3.03Å; A328-F330 PolarHBondContact O-N 3.47Å; A328-P362 CarbonylContact C-O 3.53Å; A328-P362 VanDerWaalsContact CA-O 3.28Å; A328-P362 WeakPolarHBondContact CA-O 2.89Å; A328-P362 HydrophobicContact CB-CB 4.2Å; A328-P362 HydrophobicContact CB-CG 4.45Å; A328-P362 WeakPolarHBondContact CB-O 2.76Å; A328-V364 HydrophobicContact CB-CG2 3.88Å | ||
| 329 | T | 93.1 | Very high | 90.3 | Very high | 29 Ų | 29 | 24.8 Ų | 24.8 | 18% | 0.178 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 126.8 | 171.1 | -52 | 0 | 0 | 0 | 0 | 109.1 | V261 F331 R360 P362 S363 V364 | V261-T329 HydrophobicContact CG1-CG2 3.97Å; T329-F331 HydrophobicContact CG2-CD2 4.21Å; T329-F331 HydrophobicContact CG2-CE2 3.57Å; T329-F331 HydrophobicContact CG2-CZ 3.88Å; T329-R360 HydrophobicContact CG2-CB 4.41Å; T329-R360 PolarHBondContact OG1-O 3.22Å; T329-P362 PolarHBondContact N-O 2.83Å; T329-S363 WeakPolarHBondContact O-CA 3.43Å; T329-V364 PolarHBondContact O-N 3.46Å |
| 330 | F | 95.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 114.3 | -177.4 | -174.6 | -123.6 | 0 | 0 | 0 | 111 | Q262 A264 A323 A328 V364 F366 | Q262-F330 HydrophobicContact CB-CD1 3.97Å; Q262-F330 PolarHBondContact N-O 3.41Å; A264-F330 HydrophobicContact CB-CB 4Å; A264-F330 HydrophobicContact CB-CG 4.47Å; A323-F330 HydrophobicContact CB-CB 3.72Å; A323-F330 HydrophobicContact CB-CD2 3.42Å; A323-F330 VanDerWaalsContact CB-CD2 3.42Å; A323-F330 HydrophobicContact CB-CE2 4.26Å; A323-F330 HydrophobicContact CB-CG 3.84Å; A328-F330 PolarHBondContact O-N 3.47Å; F330-V364 HydrophobicContact CD2-CB 4.36Å; F330-V364 HydrophobicContact CD2-CG1 4.2Å; F330-V364 HydrophobicContact CE2-CG1 4.42Å; F330-F366 HydrophobicContact CD2-CB 4.36Å; F330-F366 HydrophobicContact CE2-CB 3.38Å; F330-F366 HydrophobicContact CE2-CG 4.07Å; F330-F366 HydrophobicContact CZ-CB 3.65Å; F330-F366 HydrophobicContact CZ-CD1 4.25Å; F330-F366 AromaticContact CZ-CG 3.97Å; F330-F366 HydrophobicContact CZ-CG 3.97Å |
| 331 | F | 94.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.2 | 173.3 | -63.8 | -96.5 | 0 | 0 | 0 | 108.1 | I256 I260 V261 T329 L353 V356 A357 R360 S363 V364 I365 F366 | I256-F331 HydrophobicContact CG2-CD1 4.16Å; I256-F331 HydrophobicContact CG2-CE1 4.05Å; I260-F331 HydrophobicContact CG2-CB 3.85Å; I260-F331 HydrophobicContact CG2-CD1 4.08Å; I260-F331 HydrophobicContact CG2-CG 4.48Å; I260-F331 WeakPolarHBondContact O-CA 3.27Å; V261-F331 HydrophobicContact CG2-CD1 3.68Å; V261-F331 HydrophobicContact CG2-CE1 3.43Å; V261-F331 VanDerWaalsContact CG2-CE1 3.43Å; V261-F331 HydrophobicContact CG2-CZ 4.15Å; T329-F331 HydrophobicContact CG2-CD2 4.21Å; T329-F331 HydrophobicContact CG2-CE2 3.57Å; T329-F331 HydrophobicContact CG2-CZ 3.88Å; F331-L353 HydrophobicContact CB-CD1 4.27Å; F331-L353 HydrophobicContact CD1-CD1 3.87Å; F331-L353 HydrophobicContact CG-CD1 4.33Å; F331-V356 HydrophobicContact CE1-CG1 3.89Å; F331-V356 HydrophobicContact CZ-CG1 4.1Å; F331-A357 HydrophobicContact CD2-CB 4.09Å; F331-A357 HydrophobicContact CE2-CB 3.75Å; F331-A357 HydrophobicContact CZ-CB 4Å; F331-R360 HydrophobicContact CZ-CB 4.3Å; F331-S363 WeakPolarHBondContact CE2-OG 3.29Å; F331-V364 PolarHBondContact N-O 3.39Å; F331-I365 HydrophobicContact CB-CG1 4.2Å; F331-I365 HydrophobicContact CD2-CG1 4.43Å; F331-I365 CarbonylContact O-C 3.59Å; F331-F366 PolarHBondContact O-N 3.38Å |
| 332 | S | 94.1 | Very high | 87.3 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.5 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | I260 | I260-S332 PolarHBondContact O-N 3.34Å |
| 333 | V | 93 | Very high | 86 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | I260 L338 L353 F366 I367 D368 | I260-V333 HydrophobicContact CD1-CG2 4.43Å; I260-V333 HydrophobicContact CG2-CB 4.26Å; V333-L338 HydrophobicContact CG1-CD1 4.43Å; V333-L338 HydrophobicContact CG2-CD1 4.04Å; V333-L338 HydrophobicContact CG2-CD2 3.71Å; V333-L338 HydrophobicContact CG2-CG 3.63Å; V333-L353 HydrophobicContact CG1-CD2 4.27Å; V333-F366 PolarHBondContact N-O 3Å; V333-I367 HydrophobicContact CG1-CB 4.37Å; V333-I367 HydrophobicContact CG1-CG1 3.86Å; V333-I367 HydrophobicContact CG1-CG2 4.34Å; V333-I367 CarbonylContact O-C 3.57Å; V333-I367 VanDerWaalsContact O-CA 3.24Å; V333-I367 WeakPolarHBondContact O-CA 3.05Å; V333-D368 PolarHBondContact O-N 2.83Å |
| 334 | S | 92 | Very high | 85.1 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132 | 168.5 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | S336 S337 L338 | S334-S336 PolarHBondContact O-N 3.42Å; S334-S336 PolarHBondContact OG-N 3.05Å; S334-S336 PolarHBondContact OG-OG 3.45Å; S334-S337 WeakPolarHBondContact O-CA 3.42Å; S334-S337 WeakPolarHBondContact O-CB 3.34Å; S334-S337 PolarHBondContact O-N 3.3Å; S334-L338 PolarHBondContact O-N 3.45Å |
| 335 | A | 88.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -31.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S337 L338 T339 I367 D368 E369 S372 L373 | A335-S337 VanDerWaalsContact C-N 3.33Å; A335-L338 PolarHBondContact O-N 3.05Å; A335-T339 WeakPolarHBondContact O-CG2 3.47Å; A335-T339 PolarHBondContact O-N 2.61Å; A335-T339 PolarHBondContact O-OG1 3.18Å; A335-I367 HydrophobicContact CB-CG2 3.98Å; A335-D368 WeakPolarHBondContact CB-O 3.22Å; A335-D368 PolarHBondContact N-O 2.75Å; A335-E369 VanDerWaalsContact CB-O 3.29Å; A335-E369 WeakPolarHBondContact CB-O 3.35Å; A335-S372 WeakPolarHBondContact CB-OG 3.39Å; A335-L373 HydrophobicContact CB-CB 3.64Å |
| 336 | S | 85 | Confident | 84.1 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 30% | 0.301 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.6 | -30.5 | 173.6 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | S334 T339 S340 E369 S372 | S334-S336 PolarHBondContact O-N 3.42Å; S334-S336 PolarHBondContact OG-N 3.05Å; S334-S336 PolarHBondContact OG-OG 3.45Å; S336-T339 PolarHBondContact O-N 3.34Å; S336-T339 PolarHBondContact O-OG1 2.8Å; S336-T339 VanDerWaalsContact O-OG1 3.08Å; S336-S340 WeakPolarHBondContact O-CB 3.31Å; S336-S340 PolarHBondContact O-N 3.43Å; S336-S340 VanDerWaalsContact O-N 3.14Å; S336-S340 PolarHBondContact O-OG 3.09Å; S336-E369 PolarHBondContact OG-OE2 3.38Å; S336-S372 PolarHBondContact N-OG 2.84Å |
| 337 | S | 83.9 | Confident | 84.1 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.6 | -37.6 | 173.9 | -64.7 | 0 | 0 | 0 | 0 | 112 | S334 A335 T339 K341 | S334-S337 WeakPolarHBondContact O-CA 3.42Å; S334-S337 WeakPolarHBondContact O-CB 3.34Å; S334-S337 PolarHBondContact O-N 3.3Å; A335-S337 VanDerWaalsContact C-N 3.33Å; S337-T339 PolarHBondContact O-N 3.09Å; S337-K341 PolarHBondContact O-N 2.91Å |
| 338 | L | 81.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -35.8 | 175.6 | -71 | 176.3 | 0 | 0 | 0 | 112.5 | V333 S334 A335 L349 L373 M388 | V333-L338 HydrophobicContact CG1-CD1 4.43Å; V333-L338 HydrophobicContact CG2-CD1 4.04Å; V333-L338 HydrophobicContact CG2-CD2 3.71Å; V333-L338 HydrophobicContact CG2-CG 3.63Å; S334-L338 PolarHBondContact O-N 3.45Å; A335-L338 PolarHBondContact O-N 3.05Å; L338-L349 HydrophobicContact CD2-CD2 3.45Å; L338-L349 VanDerWaalsContact CD2-CD2 3.45Å; L338-L349 HydrophobicContact CD2-CG 4.17Å; L338-L373 HydrophobicContact CD1-CD2 4.14Å; L338-M388 HydrophobicContact CB-SD 4.1Å |
| 339 | T | 76.7 | Confident | 84.1 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -92.5 | -29 | -171.5 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | A335 S336 S337 L373 M385 M388 | A335-T339 WeakPolarHBondContact O-CG2 3.47Å; A335-T339 PolarHBondContact O-N 2.61Å; A335-T339 PolarHBondContact O-OG1 3.18Å; S336-T339 PolarHBondContact O-N 3.34Å; S336-T339 PolarHBondContact O-OG1 2.8Å; S336-T339 VanDerWaalsContact O-OG1 3.08Å; S337-T339 PolarHBondContact O-N 3.09Å; T339-L373 HydrophobicContact CG2-CD1 4.21Å; T339-M385 HydrophobicContact CG2-CE 3.36Å; T339-M385 HydrophobicContact CG2-SD 3.56Å; T339-M385 VanDerWaalsContact CG2-SD 3.56Å; T339-M388 HydrophobicContact CG2-CE 4.35Å; T339-M388 HydrophobicContact CG2-SD 4.18Å |
| 340 | S | 73.4 | Confident | 84 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 57% | 0.566 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -93.1 | -43 | -176.1 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | S336 | S336-S340 WeakPolarHBondContact O-CB 3.31Å; S336-S340 PolarHBondContact O-N 3.43Å; S336-S340 VanDerWaalsContact O-N 3.14Å; S336-S340 PolarHBondContact O-OG 3.09Å |
| 341 | K | 73.2 | Confident | 83.8 | Confident | 129 Ų | 129 | 47.2 Ų | 47.2 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -24.8 | -177.1 | -66.8 | -177.7 | 176.2 | -175.7 | 0 | 113 | S337 | S337-K341 PolarHBondContact O-N 2.91Š|
| 342 | W | 70.3 | Confident | 83.7 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 16% | 0.163 | 27% | 0.265 | C | S | . | . | trans | -120.6 | 43.9 | -166.8 | -44.9 | 101.6 | 0 | 0 | 0 | 112.7 | M255 G344 E345 G346 L349 | M255-W342 HydrophobicContact CE-CE3 4.19Å; M255-W342 HydrophobicContact CE-CH2 3.33Å; M255-W342 HydrophobicContact CE-CZ2 4.4Å; M255-W342 HydrophobicContact CE-CZ3 3.18Å; M255-W342 HydrophobicContact CG-CH2 3.84Å; M255-W342 HydrophobicContact CG-CZ2 4.24Å; M255-W342 HydrophobicContact SD-CE3 4.06Å; M255-W342 HydrophobicContact SD-CH2 2.99Å; M255-W342 WeakPolarHBondContact SD-CH2 3.49Å; M255-W342 HydrophobicContact SD-CZ2 3.5Å; M255-W342 WeakPolarHBondContact SD-CZ2 3.27Å; M255-W342 HydrophobicContact SD-CZ3 3.3Å; M255-W342 WeakPolarHBondContact SD-CZ3 3.41Å; W342-G344 PolarHBondContact O-N 3.26Å; W342-G344 VanDerWaalsContact O-N 3.16Å; W342-E345 PolarHBondContact O-N 3.17Å; W342-G346 PolarHBondContact O-N 3.15Å; W342-G346 VanDerWaalsContact O-N 3.08Å; W342-L349 HydrophobicContact CB-CD2 4.04Å; W342-L349 HydrophobicContact CD2-CD2 3.83Å; W342-L349 HydrophobicContact CG-CD2 3.43Å; W342-L349 VanDerWaalsContact CG-CD2 3.43Å | ||
| 343 | V | 66.1 | Low | 83.6 | Confident | 117 Ų | 117 | 46.7 Ų | 46.7 | 71% | 0.709 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 117.5 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 344 | G | 74 | Confident | 83.6 | Confident | 67 Ų | 67 | 46.3 Ų | 46.3 | 69% | 0.691 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97 | -21.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W342 | W342-G344 PolarHBondContact O-N 3.26Å; W342-G344 VanDerWaalsContact O-N 3.16Å |
| 345 | E | 80.4 | Confident | 83.6 | Confident | 87 Ų | 87 | 45.3 Ų | 45.3 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -4.6 | -179.3 | -63.5 | -168.1 | 167.7 | 0 | 0 | 114.3 | W342 E347 K348 L349 | W342-E345 PolarHBondContact O-N 3.17Å; E345-E347 PolarHBondContact O-N 3.03Å; E345-E347 VanDerWaalsContact O-N 3.09Å; E345-K348 WeakPolarHBondContact O-CB 3.44Å; E345-K348 PolarHBondContact O-N 3.26Å; E345-L349 PolarHBondContact O-N 3.07Å |
| 346 | G | 83.7 | Confident | 83.8 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -28.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | W342 L349 V350 | W342-G346 PolarHBondContact O-N 3.15Å; W342-G346 VanDerWaalsContact O-N 3.08Å; G346-L349 PolarHBondContact O-N 3.46Å; G346-V350 VanDerWaalsContact O-CG2 3.29Å; G346-V350 WeakPolarHBondContact O-CG2 3.47Å; G346-V350 PolarHBondContact O-N 3.02Å |
| 347 | E | 87.4 | Confident | 84.1 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 171.9 | -171.7 | -169.9 | 137.7 | 0 | 0 | 111.6 | E345 L349 V350 R351 E391 | E345-E347 PolarHBondContact O-N 3.03Å; E345-E347 VanDerWaalsContact O-N 3.09Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 2.95Å; E347-V350 PolarHBondContact O-N 3.24Å; E347-R351 PolarHBondContact O-N 2.96Å; E347-R351 IonicContact OE1-CZ 3.86Å; E347-R351 IonicContact OE1-NH1 3.74Å; E347-R351 IonicContact OE1-NH2 3.87Å; E347-R351 PolarHBondContact OE1-NH2 2.97Å; E347-E391 HydrophobicContact CG-CB 3.74Å; E347-E391 HydrophobicContact CG-CG 3.74Å |
| 348 | K | 89.4 | Confident | 84.5 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.3 | -65.7 | -179.1 | 179.4 | 178.1 | 0 | 110.3 | L252 E345 V350 R351 T352 | L252-K348 HydrophobicContact CD1-CB 4.01Å; E345-K348 WeakPolarHBondContact O-CB 3.44Å; E345-K348 PolarHBondContact O-N 3.26Å; K348-V350 PolarHBondContact O-N 2.86Å; K348-R351 WeakPolarHBondContact O-CB 3.31Å; K348-R351 PolarHBondContact O-N 2.94Å; K348-T352 WeakPolarHBondContact O-CB 3.25Å; K348-T352 PolarHBondContact O-N 3.28Å; K348-T352 PolarHBondContact O-OG1 3.34Å |
| 349 | L | 89.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 178.9 | -177.3 | 66.2 | 0 | 0 | 0 | 112.1 | M255 I256 L338 W342 E345 G346 E347 R351 T352 L353 | M255-L349 HydrophobicContact SD-CD1 4.41Å; I256-L349 HydrophobicContact CD1-CD1 3.83Å; I256-L349 HydrophobicContact CG1-CD1 3.91Å; L338-L349 HydrophobicContact CD2-CD2 3.45Å; L338-L349 VanDerWaalsContact CD2-CD2 3.45Å; L338-L349 HydrophobicContact CD2-CG 4.17Å; W342-L349 HydrophobicContact CB-CD2 4.04Å; W342-L349 HydrophobicContact CD2-CD2 3.83Å; W342-L349 HydrophobicContact CG-CD2 3.43Å; W342-L349 VanDerWaalsContact CG-CD2 3.43Å; E345-L349 PolarHBondContact O-N 3.07Å; G346-L349 PolarHBondContact O-N 3.46Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 2.95Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 2.64Å; L349-T352 PolarHBondContact O-N 3Å; L349-L353 VanDerWaalsContact O-CB 3.26Å; L349-L353 WeakPolarHBondContact O-CB 3.42Å; L349-L353 PolarHBondContact O-N 3.2Å |
| 350 | V | 91.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | G346 E347 K348 T352 L353 F354 M388 E391 F392 Q395 | G346-V350 VanDerWaalsContact O-CG2 3.29Å; G346-V350 WeakPolarHBondContact O-CG2 3.47Å; G346-V350 PolarHBondContact O-N 3.02Å; E347-V350 PolarHBondContact O-N 3.24Å; K348-V350 PolarHBondContact O-N 2.86Å; V350-T352 PolarHBondContact O-N 3.47Å; V350-L353 PolarHBondContact O-N 2.93Å; V350-F354 HydrophobicContact CG1-CD2 4.18Å; V350-F354 HydrophobicContact CG1-CE2 4.22Å; V350-F354 WeakPolarHBondContact O-CD2 3.44Å; V350-F354 PolarHBondContact O-N 3.35Å; V350-F354 VanDerWaalsContact O-N 3.14Å; V350-M388 HydrophobicContact CG2-CG 3.94Å; V350-E391 HydrophobicContact CB-CG 4.29Å; V350-E391 HydrophobicContact CG1-CG 4.04Å; V350-F392 HydrophobicContact CG1-CB 4.12Å; V350-F392 HydrophobicContact CG1-CD2 4.19Å; V350-Q395 HydrophobicContact CG1-CG 4.19Å |
| 351 | R | 91.5 | Very high | 86.1 | Confident | 102 Ų | 102 | 43.7 Ų | 43.7 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 176.8 | -169.9 | 174.6 | -59.8 | 137.1 | 4.1 | 112.3 | E347 K348 L349 F354 A355 E391 | E347-R351 PolarHBondContact O-N 2.96Å; E347-R351 IonicContact OE1-CZ 3.86Å; E347-R351 IonicContact OE1-NH1 3.74Å; E347-R351 IonicContact OE1-NH2 3.87Å; E347-R351 PolarHBondContact OE1-NH2 2.97Å; K348-R351 WeakPolarHBondContact O-CB 3.31Å; K348-R351 PolarHBondContact O-N 2.94Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 2.64Å; R351-F354 PolarHBondContact O-N 3.09Å; R351-A355 WeakPolarHBondContact O-CB 3.43Å; R351-A355 PolarHBondContact O-N 3.4Å; R351-E391 IonicContact CZ-OE1 3.42Å; R351-E391 IonicContact CZ-OE2 2.66Å; R351-E391 IonicContact NE-OE1 2.75Å; R351-E391 PolarHBondContact NE-OE1 3.07Å; R351-E391 IonicContact NE-OE2 3.4Å; R351-E391 IonicContact NH2-OE1 2.75Å; R351-E391 PolarHBondContact NH2-OE1 3.29Å; R351-E391 IonicContact NH2-OE2 3.49Å; R351-E391 PolarHBondContact NH2-OE2 3.17Å |
| 352 | T | 91.5 | Very high | 86.9 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | I248 L252 V253 I256 K348 L349 V350 F354 A355 V356 | I248-T352 HydrophobicContact CG2-CG2 3.5Å; I248-T352 WeakPolarHBondContact CG2-OG1 2.97Å; L252-T352 HydrophobicContact CB-CG2 4.13Å; V253-T352 HydrophobicContact CG2-CG2 3.71Å; I256-T352 HydrophobicContact CD1-CG2 3.42Å; I256-T352 VanDerWaalsContact CD1-CG2 3.42Å; K348-T352 WeakPolarHBondContact O-CB 3.25Å; K348-T352 PolarHBondContact O-N 3.28Å; K348-T352 PolarHBondContact O-OG1 3.34Å; L349-T352 PolarHBondContact O-N 3Å; V350-T352 PolarHBondContact O-N 3.47Å; T352-F354 VanDerWaalsContact C-N 3.34Å; T352-F354 PolarHBondContact O-N 2.73Å; T352-A355 PolarHBondContact O-N 2.83Å; T352-A355 VanDerWaalsContact O-N 3.15Å; T352-V356 HydrophobicContact CG2-CG2 4.01Å; T352-V356 VanDerWaalsContact O-CG2 3.31Å; T352-V356 WeakPolarHBondContact O-CG2 3.34Å; T352-V356 PolarHBondContact O-N 2.82Å |
| 353 | L | 92.7 | Very high | 88 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56 | -48.9 | 178.4 | 175.3 | 63.4 | 0 | 0 | 0 | 111.1 | I256 I260 F331 V333 L349 V350 A357 I365 | I256-L353 HydrophobicContact CD1-CB 4.22Å; I256-L353 HydrophobicContact CG2-CD1 4.1Å; I260-L353 HydrophobicContact CG2-CD1 3.95Å; F331-L353 HydrophobicContact CB-CD1 4.27Å; F331-L353 HydrophobicContact CD1-CD1 3.87Å; F331-L353 HydrophobicContact CG-CD1 4.33Å; V333-L353 HydrophobicContact CG1-CD2 4.27Å; L349-L353 VanDerWaalsContact O-CB 3.26Å; L349-L353 WeakPolarHBondContact O-CB 3.42Å; L349-L353 PolarHBondContact O-N 3.2Å; V350-L353 PolarHBondContact O-N 2.93Å; L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.31Å; L353-A357 PolarHBondContact O-N 3.45Å; L353-I365 HydrophobicContact CD2-CG2 4.22Å; L353-I365 HydrophobicContact CG-CD1 4.44Å |
| 354 | F | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -38 | 177.7 | -84.6 | -98.8 | 0 | 0 | 0 | 112.2 | V350 R351 T352 A357 R358 I365 F392 Q395 M396 V399 L407 V409 | V350-F354 HydrophobicContact CG1-CD2 4.18Å; V350-F354 HydrophobicContact CG1-CE2 4.22Å; V350-F354 WeakPolarHBondContact O-CD2 3.44Å; V350-F354 PolarHBondContact O-N 3.35Å; V350-F354 VanDerWaalsContact O-N 3.14Å; R351-F354 PolarHBondContact O-N 3.09Å; T352-F354 VanDerWaalsContact C-N 3.34Å; T352-F354 PolarHBondContact O-N 2.73Å; F354-A357 PolarHBondContact O-N 3.47Å; F354-R358 WeakPolarHBondContact O-CB 3.28Å; F354-R358 VanDerWaalsContact O-CG 3.25Å; F354-R358 WeakPolarHBondContact O-CG 3.39Å; F354-R358 PolarHBondContact O-N 3Å; F354-I365 HydrophobicContact CD1-CD1 4.02Å; F354-I365 HydrophobicContact CD2-CD1 4.27Å; F354-I365 HydrophobicContact CE1-CD1 4Å; F354-I365 HydrophobicContact CE2-CD1 4.27Å; F354-I365 HydrophobicContact CG-CD1 4.17Å; F354-I365 HydrophobicContact CZ-CD1 4.15Å; F354-F392 AromaticContact CE2-CD2 3.87Å; F354-F392 HydrophobicContact CE2-CD2 3.87Å; F354-F392 AromaticContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CZ-CD2 4.24Å; F354-F392 AromaticContact CZ-CE2 3.85Å; F354-F392 HydrophobicContact CZ-CE2 3.85Å; F354-Q395 HydrophobicContact CB-CB 4.21Å; F354-Q395 HydrophobicContact CB-CG 4.23Å; F354-Q395 HydrophobicContact CD1-CB 3.78Å; F354-Q395 HydrophobicContact CD2-CB 3.65Å; F354-Q395 HydrophobicContact CD2-CG 4.03Å; F354-Q395 HydrophobicContact CE1-CB 3.96Å; F354-Q395 HydrophobicContact CE2-CB 3.83Å; F354-Q395 HydrophobicContact CG-CB 3.61Å; F354-Q395 HydrophobicContact CG-CG 4.08Å; F354-Q395 HydrophobicContact CZ-CB 3.98Å; F354-M396 HydrophobicContact CZ-CG 4.1Å; F354-V399 HydrophobicContact CD1-CG2 4.11Å; F354-V399 HydrophobicContact CE1-CG2 3.74Å; F354-L407 HydrophobicContact CD1-CD2 3.76Å; F354-L407 HydrophobicContact CE1-CD2 4.2Å; F354-V409 HydrophobicContact CE1-CG2 3.91Å; F354-V409 HydrophobicContact CZ-CG2 4.01Å |
| 355 | A | 91.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 28 Ų | 28 | 7% | 0.066 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I244 I248 R351 T352 R358 A359 | I244-A355 HydrophobicContact CG2-CB 4.39Å; I248-A355 HydrophobicContact CD1-CB 3.19Å; R351-A355 WeakPolarHBondContact O-CB 3.43Å; R351-A355 PolarHBondContact O-N 3.4Å; T352-A355 PolarHBondContact O-N 2.83Å; T352-A355 VanDerWaalsContact O-N 3.15Å; A355-R358 PolarHBondContact O-N 3.01Å; A355-A359 PolarHBondContact O-N 2.79Å |
| 356 | V | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | V253 I256 F331 T352 R358 A359 R360 | V253-V356 HydrophobicContact CB-CG2 4.42Å; V253-V356 HydrophobicContact CG1-CG2 4Å; V253-V356 HydrophobicContact CG2-CG2 4.07Å; I256-V356 HydrophobicContact CG2-CB 4.44Å; I256-V356 HydrophobicContact CG2-CG1 4.25Å; F331-V356 HydrophobicContact CE1-CG1 3.89Å; F331-V356 HydrophobicContact CZ-CG1 4.1Å; T352-V356 HydrophobicContact CG2-CG2 4.01Å; T352-V356 VanDerWaalsContact O-CG2 3.31Å; T352-V356 WeakPolarHBondContact O-CG2 3.34Å; T352-V356 PolarHBondContact O-N 2.82Å; V356-R358 VanDerWaalsContact C-N 3.34Å; V356-R358 PolarHBondContact O-N 2.83Å; V356-A359 PolarHBondContact O-N 2.97Å; V356-R360 PolarHBondContact O-N 3.37Å |
| 357 | A | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.5 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F331 L353 F354 R360 S361 S363 I365 L407 | F331-A357 HydrophobicContact CD2-CB 4.09Å; F331-A357 HydrophobicContact CE2-CB 3.75Å; F331-A357 HydrophobicContact CZ-CB 4Å; L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.31Å; L353-A357 PolarHBondContact O-N 3.45Å; F354-A357 PolarHBondContact O-N 3.47Å; A357-R360 CarbonylContact O-C 3.54Å; A357-R360 PolarHBondContact O-N 3.03Å; A357-S361 PolarHBondContact O-N 3.49Å; A357-S363 WeakPolarHBondContact O-CB 3.32Å; A357-S363 PolarHBondContact O-OG 3.01Å; A357-I365 HydrophobicContact CB-CD1 3.77Å; A357-I365 HydrophobicContact CB-CG1 3.99Å; A357-L407 HydrophobicContact CB-CD1 3.71Å; A357-L407 HydrophobicContact CB-CD2 4.4Å |
| 358 | R | 91.1 | Very high | 92 | Very high | 64 Ų | 64 | 22.4 Ų | 22.4 | 24% | 0.242 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 172.4 | -74.9 | 177.8 | -166.1 | 119.1 | 2.6 | 111.9 | F354 A355 V356 R360 S361 E405 L407 | F354-R358 WeakPolarHBondContact O-CB 3.28Å; F354-R358 VanDerWaalsContact O-CG 3.25Å; F354-R358 WeakPolarHBondContact O-CG 3.39Å; F354-R358 PolarHBondContact O-N 3Å; A355-R358 PolarHBondContact O-N 3.01Å; V356-R358 VanDerWaalsContact C-N 3.34Å; V356-R358 PolarHBondContact O-N 2.83Å; R358-R360 PolarHBondContact O-N 3.34Å; R358-S361 VanDerWaalsContact O-CB 3.31Å; R358-S361 WeakPolarHBondContact O-CB 3.35Å; R358-S361 PolarHBondContact O-N 2.97Å; R358-E405 WeakPolarHBondContact CD-OE1 3.15Å; R358-E405 HydrophobicContact CG-CG 4.09Å; R358-E405 WeakPolarHBondContact CG-OE1 3.12Å; R358-E405 IonicContact CZ-OE1 3.31Å; R358-E405 IonicContact NE-OE1 3.7Å; R358-E405 PolarHBondContact NE-OE1 2.66Å; R358-L407 HydrophobicContact CG-CD2 4.31Å |
| 359 | A | 89.7 | Confident | 92.2 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.3 | -28.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N241 I245 A355 V356 | N241-A359 HydrophobicContact CB-CB 4.35Å; N241-A359 PolarHBondContact ND2-O 3.47Å; I245-A359 HydrophobicContact CD1-CB 3.85Å; I245-A359 HydrophobicContact CG1-CB 4.12Å; A355-A359 PolarHBondContact O-N 2.79Å; V356-A359 PolarHBondContact O-N 2.97Å |
| 360 | R | 88.9 | Confident | 92.4 | Very high | 63 Ų | 63 | 19.4 Ų | 19.4 | 24% | 0.238 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 23.2 | 177.9 | -63.2 | -173.1 | 176 | -162.8 | -6.9 | 113.8 | E257 T329 F331 V356 A357 R358 P362 S363 | E257-R360 VanDerWaalsContact CG-NH2 3.3Å; E257-R360 IonicContact OE1-CZ 3.92Å; E257-R360 IonicContact OE1-NE 3.71Å; E257-R360 IonicContact OE1-NH2 3.74Å; E257-R360 PolarHBondContact OE1-NH2 3.21Å; E257-R360 IonicContact OE2-NH2 2.83Å; E257-R360 PolarHBondContact OE2-NH2 3.05Å; T329-R360 HydrophobicContact CG2-CB 4.41Å; T329-R360 PolarHBondContact OG1-O 3.22Å; F331-R360 HydrophobicContact CZ-CB 4.3Å; V356-R360 PolarHBondContact O-N 3.37Å; A357-R360 CarbonylContact O-C 3.54Å; A357-R360 PolarHBondContact O-N 3.03Å; R358-R360 PolarHBondContact O-N 3.34Å; R360-P362 CarbonylContact O-C 3.58Å; R360-P362 VanDerWaalsContact O-O 3.07Å; R360-S363 VanDerWaalsContact C-OG 3.23Å; R360-S363 PolarHBondContact O-OG 2.96Å |
| 361 | S | 86.6 | Confident | 92.5 | Very high | 35 Ų | 35 | 20.1 Ų | 20.1 | 25% | 0.245 | 10% | 0.095 | C | C | . | . | trans | -55.6 | 133.5 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | A357 R358 R406 | A357-S361 PolarHBondContact O-N 3.49Å; R358-S361 VanDerWaalsContact O-CB 3.31Å; R358-S361 WeakPolarHBondContact O-CB 3.35Å; R358-S361 PolarHBondContact O-N 2.97Å; S361-R406 PolarHBondContact OG-N 2.88Å; S361-R406 VanDerWaalsContact OG-N 3.16Å | ||
| 362 | P | 90.7 | Very high | 92.4 | Very high | 28 Ų | 28 | 17.1 Ų | 17.1 | 18% | 0.182 | 9% | 0.089 | C | C | . | . | S | Bend | cis | -76.8 | 139.7 | 4.4 | 31.6 | -33 | 0 | 0 | 0 | 112.5 | A328 T329 R360 R406 | A328-P362 CarbonylContact C-O 3.53Å; A328-P362 VanDerWaalsContact CA-O 3.28Å; A328-P362 WeakPolarHBondContact CA-O 2.89Å; A328-P362 HydrophobicContact CB-CB 4.2Å; A328-P362 HydrophobicContact CB-CG 4.45Å; A328-P362 WeakPolarHBondContact CB-O 2.76Å; T329-P362 PolarHBondContact N-O 2.83Å; R360-P362 CarbonylContact O-C 3.58Å; R360-P362 VanDerWaalsContact O-O 3.07Å; P362-R406 WeakPolarHBondContact CA-O 3.32Å; P362-R406 HydrophobicContact CB-CB 4.02Å |
| 363 | S | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 146.2 | -173.4 | -78.3 | 0 | 0 | 0 | 0 | 112.8 | T329 F331 A357 R360 R406 L407 L408 | T329-S363 WeakPolarHBondContact O-CA 3.43Å; F331-S363 WeakPolarHBondContact CE2-OG 3.29Å; A357-S363 WeakPolarHBondContact O-CB 3.32Å; A357-S363 PolarHBondContact O-OG 3.01Å; R360-S363 VanDerWaalsContact C-OG 3.23Å; R360-S363 PolarHBondContact O-OG 2.96Å; S363-R406 PolarHBondContact N-O 2.96Å; S363-L407 WeakPolarHBondContact O-CA 3.46Å; S363-L408 PolarHBondContact O-N 2.94Å |
| 364 | V | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.6 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | A323 A328 T329 F330 F331 L408 I410 | A323-V364 HydrophobicContact CB-CB 3.96Å; A323-V364 HydrophobicContact CB-CG1 4.34Å; A323-V364 HydrophobicContact CB-CG2 4.03Å; A328-V364 HydrophobicContact CB-CG2 3.88Å; T329-V364 PolarHBondContact O-N 3.46Å; F330-V364 HydrophobicContact CD2-CB 4.36Å; F330-V364 HydrophobicContact CD2-CG1 4.2Å; F330-V364 HydrophobicContact CE2-CG1 4.42Å; F331-V364 PolarHBondContact N-O 3.39Å; V364-L408 CarbonylContact C-O 3.53Å; V364-L408 WeakPolarHBondContact CA-O 3.43Å; V364-L408 HydrophobicContact CG2-CB 4.39Å; V364-L408 HydrophobicContact CG2-CD2 4.42Å; V364-I410 HydrophobicContact CG1-CD1 3.56Å; V364-I410 HydrophobicContact CG1-CG1 4Å |
| 365 | I | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 109.7 | 171.3 | -61.1 | 169.8 | 0 | 0 | 0 | 107.9 | F331 L353 F354 A357 I367 L407 L408 V409 I410 | F331-I365 HydrophobicContact CB-CG1 4.2Å; F331-I365 HydrophobicContact CD2-CG1 4.43Å; F331-I365 CarbonylContact O-C 3.59Å; L353-I365 HydrophobicContact CD2-CG2 4.22Å; L353-I365 HydrophobicContact CG-CD1 4.44Å; F354-I365 HydrophobicContact CD1-CD1 4.02Å; F354-I365 HydrophobicContact CD2-CD1 4.27Å; F354-I365 HydrophobicContact CE1-CD1 4Å; F354-I365 HydrophobicContact CE2-CD1 4.27Å; F354-I365 HydrophobicContact CG-CD1 4.17Å; F354-I365 HydrophobicContact CZ-CD1 4.15Å; A357-I365 HydrophobicContact CB-CD1 3.77Å; A357-I365 HydrophobicContact CB-CG1 3.99Å; I365-I367 HydrophobicContact CG2-CD1 4.29Å; I365-I367 HydrophobicContact CG2-CG1 3.93Å; I365-L407 HydrophobicContact CD1-CD1 3.84Å; I365-L407 HydrophobicContact CD1-CD2 4.17Å; I365-L407 HydrophobicContact CD1-CG 4.42Å; I365-L407 HydrophobicContact CG1-CD1 3.92Å; I365-L408 PolarHBondContact N-O 2.7Å; I365-V409 CarbonylContact O-C 3.59Å; I365-V409 WeakPolarHBondContact O-CA 3.13Å; I365-I410 PolarHBondContact O-N 3.02Å |
| 366 | F | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.4 | 172.7 | -179.6 | -95.2 | 0 | 0 | 0 | 110.4 | T316 F330 F331 V333 D368 I410 A412 | T316-F366 HydrophobicContact CG2-CE1 3.8Å; T316-F366 HydrophobicContact CG2-CZ 4.17Å; F330-F366 HydrophobicContact CD2-CB 4.36Å; F330-F366 HydrophobicContact CE2-CB 3.38Å; F330-F366 HydrophobicContact CE2-CG 4.07Å; F330-F366 HydrophobicContact CZ-CB 3.65Å; F330-F366 HydrophobicContact CZ-CD1 4.25Å; F330-F366 AromaticContact CZ-CG 3.97Å; F330-F366 HydrophobicContact CZ-CG 3.97Å; F331-F366 PolarHBondContact O-N 3.38Å; V333-F366 PolarHBondContact N-O 3Å; F366-D368 HydrophobicContact CE1-CB 3.77Å; F366-D368 HydrophobicContact CZ-CB 4.43Å; F366-I410 CarbonylContact C-O 3.59Å; F366-I410 WeakPolarHBondContact CA-O 3.13Å; F366-I410 HydrophobicContact CD2-CB 3.99Å; F366-I410 HydrophobicContact CD2-CG2 3.74Å; F366-I410 HydrophobicContact CE2-CG2 4.07Å; F366-A412 HydrophobicContact CE1-CB 4.42Å; F366-A412 HydrophobicContact CE2-CB 3.7Å; F366-A412 HydrophobicContact CZ-CB 3.41Å; F366-A412 VanDerWaalsContact CZ-CB 3.41Å |
| 367 | I | 95.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.4 | 178.2 | -49.4 | 178.6 | 0 | 0 | 0 | 107.6 | V333 A335 I365 V370 F392 V409 I410 G411 A412 | V333-I367 HydrophobicContact CG1-CB 4.37Å; V333-I367 HydrophobicContact CG1-CG1 3.86Å; V333-I367 HydrophobicContact CG1-CG2 4.34Å; V333-I367 CarbonylContact O-C 3.57Å; V333-I367 VanDerWaalsContact O-CA 3.24Å; V333-I367 WeakPolarHBondContact O-CA 3.05Å; A335-I367 HydrophobicContact CB-CG2 3.98Å; I365-I367 HydrophobicContact CG2-CD1 4.29Å; I365-I367 HydrophobicContact CG2-CG1 3.93Å; I367-V370 HydrophobicContact CB-CG1 3.57Å; I367-V370 HydrophobicContact CG2-CG1 3.53Å; I367-V370 VanDerWaalsContact O-CG1 3.3Å; I367-V370 WeakPolarHBondContact O-CG1 3.46Å; I367-F392 HydrophobicContact CD1-CD2 4.29Å; I367-F392 HydrophobicContact CD1-CE1 4.44Å; I367-F392 HydrophobicContact CD1-CE2 3.2Å; I367-F392 HydrophobicContact CD1-CZ 3.29Å; I367-V409 HydrophobicContact CD1-CG1 4.23Å; I367-I410 PolarHBondContact N-O 3.01Å; I367-G411 CarbonylContact O-C 3.53Å; I367-A412 PolarHBondContact O-N 3.31Å |
| 368 | D | 94.9 | Very high | 89.5 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 151.8 | 173.6 | -145.8 | -15.9 | 0 | 0 | 0 | 110.9 | T316 V333 A335 F366 V370 | T316-D368 PolarHBondContact OG1-OD2 3.14Å; T316-D368 VanDerWaalsContact OG1-OD2 3.09Å; V333-D368 PolarHBondContact O-N 2.83Å; A335-D368 WeakPolarHBondContact CB-O 3.22Å; A335-D368 PolarHBondContact N-O 2.75Å; F366-D368 HydrophobicContact CE1-CB 3.77Å; F366-D368 HydrophobicContact CZ-CB 4.43Å; D368-V370 VanDerWaalsContact C-N 3.29Å; D368-V370 PolarHBondContact O-N 3.49Å |
| 369 | E | 94.1 | Very high | 88.4 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 43.2 | -178.1 | -55.7 | -179.5 | 152.1 | 0 | 0 | 113.1 | A335 S336 D371 S372 A412 | A335-E369 VanDerWaalsContact CB-O 3.29Å; A335-E369 WeakPolarHBondContact CB-O 3.35Å; S336-E369 PolarHBondContact OG-OE2 3.38Å; E369-D371 VanDerWaalsContact C-OD1 3.29Å; E369-D371 PolarHBondContact O-N 3.49Å; E369-S372 WeakPolarHBondContact O-CB 3.45Å; E369-S372 PolarHBondContact O-N 2.8Å; E369-S372 PolarHBondContact O-OG 3.37Å; E369-A412 WeakPolarHBondContact CA-O 3.43Å; E369-A412 PolarHBondContact N-O 3.09Å |
| 370 | V | 94.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.4 | -24.4 | -175.8 | -71.3 | 0 | 0 | 0 | 0 | 113.8 | L306 I367 D368 S372 L373 L374 A412 T413 L419 | L306-V370 HydrophobicContact CD1-CG2 3.76Å; I367-V370 HydrophobicContact CB-CG1 3.57Å; I367-V370 HydrophobicContact CG2-CG1 3.53Å; I367-V370 VanDerWaalsContact O-CG1 3.3Å; I367-V370 WeakPolarHBondContact O-CG1 3.46Å; D368-V370 VanDerWaalsContact C-N 3.29Å; D368-V370 PolarHBondContact O-N 3.49Å; V370-S372 PolarHBondContact O-N 3.37Å; V370-L373 PolarHBondContact O-N 2.99Å; V370-L374 HydrophobicContact CB-CD1 4.36Å; V370-L374 WeakPolarHBondContact O-CB 3.26Å; V370-L374 PolarHBondContact O-N 3.4Å; V370-A412 WeakPolarHBondContact CG2-O 3.45Å; V370-A412 PolarHBondContact N-O 2.89Å; V370-T413 HydrophobicContact CG2-CG2 4.42Å; V370-L419 HydrophobicContact CG2-CD2 4.17Å |
| 371 | D | 92.6 | Very high | 86.7 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.7 | -40 | 172.5 | 44.5 | -56.1 | 0 | 0 | 0 | 111.5 | E369 L373 L374 T375 T413 R415 E418 L419 | E369-D371 VanDerWaalsContact C-OD1 3.29Å; E369-D371 PolarHBondContact O-N 3.49Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.15Å; D371-L374 CarbonylContact O-C 3.58Å; D371-L374 PolarHBondContact O-N 3Å; D371-T375 WeakPolarHBondContact O-CG2 3.45Å; D371-T375 PolarHBondContact O-N 3.29Å; D371-T413 WeakPolarHBondContact CB-OG1 3.05Å; D371-T413 WeakPolarHBondContact OD1-CB 3.26Å; D371-T413 PolarHBondContact OD1-OG1 3.22Å; D371-R415 HydrophobicContact CB-CB 4.48Å; D371-E418 HydrophobicContact CB-CB 4.42Å; D371-L419 HydrophobicContact CB-CD2 4.42Å |
| 372 | S | 89.6 | Confident | 86.3 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.2 | -31.7 | 179.3 | 66.9 | 0 | 0 | 0 | 0 | 114.2 | A335 S336 E369 V370 | A335-S372 WeakPolarHBondContact CB-OG 3.39Å; S336-S372 PolarHBondContact N-OG 2.84Å; E369-S372 WeakPolarHBondContact O-CB 3.45Å; E369-S372 PolarHBondContact O-N 2.8Å; E369-S372 PolarHBondContact O-OG 3.37Å; V370-S372 PolarHBondContact O-N 3.37Å |
| 373 | L | 88.7 | Confident | 86 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -91.3 | -29.8 | 175.6 | 177.1 | 63.6 | 0 | 0 | 0 | 112 | A335 L338 T339 V370 D371 M385 M388 K389 F392 | A335-L373 HydrophobicContact CB-CB 3.64Å; L338-L373 HydrophobicContact CD1-CD2 4.14Å; T339-L373 HydrophobicContact CG2-CD1 4.21Å; V370-L373 PolarHBondContact O-N 2.99Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.15Å; L373-M385 HydrophobicContact CD1-SD 3.84Å; L373-M388 HydrophobicContact CD1-CG 4.07Å; L373-M388 HydrophobicContact CD1-SD 3.63Å; L373-K389 HydrophobicContact CD1-CG 4.41Å; L373-K389 WeakPolarHBondContact O-CD 3.49Å; L373-K389 WeakPolarHBondContact O-CE 3.46Å; L373-K389 WeakPolarHBondContact O-CG 3.37Å; L373-F392 HydrophobicContact CD2-CG 4.48Å |
| 374 | L | 90 | Very high | 85.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -118 | 30.1 | -168.8 | -55.2 | -179.4 | 0 | 0 | 0 | 113.3 | V370 D371 K389 F392 F393 L419 D420 A423 F427 | V370-L374 HydrophobicContact CB-CD1 4.36Å; V370-L374 WeakPolarHBondContact O-CB 3.26Å; V370-L374 PolarHBondContact O-N 3.4Å; D371-L374 CarbonylContact O-C 3.58Å; D371-L374 PolarHBondContact O-N 3Å; L374-K389 HydrophobicContact CD2-CG 4.48Å; L374-F392 HydrophobicContact CD1-CD1 4.33Å; L374-F392 HydrophobicContact CD1-CE1 3.91Å; L374-F392 HydrophobicContact CD2-CD1 3.89Å; L374-F392 HydrophobicContact CD2-CE1 4.3Å; L374-F393 HydrophobicContact CD1-CE1 4.33Å; L374-F393 HydrophobicContact CD2-CE1 3.8Å; L374-F393 HydrophobicContact CD2-CZ 3.74Å; L374-L419 HydrophobicContact CB-CD2 3.94Å; L374-D420 PolarHBondContact O-N 3.5Å; L374-D420 VanDerWaalsContact O-N 3.14Å; L374-A423 HydrophobicContact CB-CB 3.91Å; L374-A423 HydrophobicContact CD1-CB 3.86Å; L374-A423 HydrophobicContact CG-CB 4.44Å; L374-F427 HydrophobicContact CD1-CE2 3.74Å; L374-F427 HydrophobicContact CD1-CZ 4.4Å |
| 375 | T | 86 | Confident | 85.1 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -59.1 | 151.2 | 173.3 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | D371 R377 K389 E418 | D371-T375 WeakPolarHBondContact O-CG2 3.45Å; D371-T375 PolarHBondContact O-N 3.29Å; T375-R377 PolarHBondContact O-N 3.31Å; T375-K389 PolarHBondContact O-NZ 2.78Å; T375-K389 PolarHBondContact OG1-NZ 3.29Å; T375-E418 WeakPolarHBondContact CA-O 3.29Å |
| 376 | K | 80.9 | Confident | 84.7 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -47.3 | 136.4 | 162.5 | -70.2 | 173.7 | -171.8 | 168.4 | 0 | 110 | S378 W417 E418 | K376-S378 PolarHBondContact O-N 3.44Å; K376-S378 VanDerWaalsContact O-N 3.09Å; K376-W417 VanDerWaalsContact CE-O 3.32Å; K376-W417 WeakPolarHBondContact CE-O 3.36Å; K376-W417 PolarHBondContact NZ-O 3.43Å; K376-E418 PolarHBondContact N-O 2.94Å |
| 377 | R | 74.7 | Confident | 84.3 | Confident | 185 Ų | 185 | 65.8 Ų | 65.8 | 70% | 0.698 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 117.5 | -179.2 | -65.7 | 179.7 | 178.8 | -174.6 | -3.6 | 109.4 | T375 | T375-R377 PolarHBondContact O-N 3.31Š|
| 378 | S | 72.5 | Confident | 84 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -102 | 150.7 | 167 | 81.2 | 0 | 0 | 0 | 0 | 109.3 | K376 S380 D381 R386 | K376-S378 PolarHBondContact O-N 3.44Å; K376-S378 VanDerWaalsContact O-N 3.09Å; S378-S380 PolarHBondContact O-N 2.96Å; S378-S380 PolarHBondContact OG-N 2.99Å; S378-S380 PolarHBondContact OG-OG 3.34Å; S378-D381 WeakPolarHBondContact O-CB 3.06Å; S378-D381 PolarHBondContact O-N 2.9Å; S378-D381 PolarHBondContact OG-N 2.86Å; S378-D381 PolarHBondContact OG-OD1 2.85Å; S378-R386 PolarHBondContact O-NH2 3.22Å |
| 379 | D | 67.5 | Low | 83.7 | Confident | 166 Ų | 166 | 65 Ų | 65 | 89% | 0.888 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.1 | 173.9 | -68.8 | -33 | 0 | 0 | 0 | 112 | D381 | D379-D381 VanDerWaalsContact C-N 3.35Š|
| 380 | S | 71.5 | Confident | 83.5 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 69% | 0.685 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.7 | 173.6 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | S378 N382 | S378-S380 PolarHBondContact O-N 2.96Å; S378-S380 PolarHBondContact OG-N 2.99Å; S378-S380 PolarHBondContact OG-OG 3.34Å; S380-N382 PolarHBondContact O-N 3.09Å |
| 381 | D | 71.1 | Confident | 83.4 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | trans | -67 | 116.4 | 178.6 | -78 | 17.9 | 0 | 0 | 0 | 110.1 | S378 D379 R386 K389 | S378-D381 WeakPolarHBondContact O-CB 3.06Å; S378-D381 PolarHBondContact O-N 2.9Å; S378-D381 PolarHBondContact OG-N 2.86Å; S378-D381 PolarHBondContact OG-OD1 2.85Å; D379-D381 VanDerWaalsContact C-N 3.35Å; D381-R386 HydrophobicContact CB-CG 4.2Å; D381-R386 PolarHBondContact O-NE 3.4Å; D381-K389 IonicContact OD2-NZ 2.59Å; D381-K389 PolarHBondContact OD2-NZ 2.95Å | ||
| 382 | N | 79.7 | Confident | 83.4 | Confident | 124 Ų | 124 | 67.2 Ų | 67.2 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | trans | -54 | 140.5 | 171.4 | -69.3 | -24 | 0 | 0 | 0 | 110.9 | S380 S384 M385 R386 | S380-N382 PolarHBondContact O-N 3.09Å; N382-S384 PolarHBondContact O-N 3.47Å; N382-S384 VanDerWaalsContact O-N 3.09Å; N382-M385 WeakPolarHBondContact O-CB 3.31Å; N382-M385 PolarHBondContact O-N 2.69Å; N382-R386 PolarHBondContact O-N 2.83Å | ||
| 383 | D | 83.1 | Confident | 83.5 | Confident | 100 Ų | 100 | 66.4 Ų | 66.4 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.4 | -33.5 | 178.1 | -75.6 | -27.7 | 0 | 0 | 0 | 112.9 | M385 R386 R387 | D383-M385 PolarHBondContact O-N 3.41Å; D383-R386 PolarHBondContact O-N 3.47Å; D383-R387 WeakPolarHBondContact O-CG 3.47Å; D383-R387 PolarHBondContact O-N 3.28Å |
| 384 | S | 83.1 | Confident | 83.7 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 175.1 | -51.6 | 0 | 0 | 0 | 0 | 112.8 | N382 M388 | N382-S384 PolarHBondContact O-N 3.47Å; N382-S384 VanDerWaalsContact O-N 3.09Å; S384-M388 WeakPolarHBondContact O-CB 3.39Å; S384-M388 PolarHBondContact O-N 3.33Å |
| 385 | M | 85.4 | Confident | 83.8 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 21% | 0.207 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.1 | -178.7 | 73 | 78 | 0 | 0 | 110.4 | T339 L373 N382 D383 M388 K389 | T339-M385 HydrophobicContact CG2-CE 3.36Å; T339-M385 HydrophobicContact CG2-SD 3.56Å; T339-M385 VanDerWaalsContact CG2-SD 3.56Å; L373-M385 HydrophobicContact CD1-SD 3.84Å; N382-M385 WeakPolarHBondContact O-CB 3.31Å; N382-M385 PolarHBondContact O-N 2.69Å; D383-M385 PolarHBondContact O-N 3.41Å; M385-M388 PolarHBondContact O-N 2.96Å; M385-K389 HydrophobicContact CG-CD 4.21Å; M385-K389 HydrophobicContact CG-CG 4.46Å; M385-K389 WeakPolarHBondContact O-CB 3.37Å; M385-K389 WeakPolarHBondContact O-CG 3.32Å; M385-K389 PolarHBondContact O-N 3.47Å |
| 386 | R | 86.1 | Confident | 84 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 178.7 | -64.6 | 177.3 | 176.3 | -176.4 | -3.9 | 111.9 | S378 D381 N382 D383 K389 N390 | S378-R386 PolarHBondContact O-NH2 3.22Å; D381-R386 HydrophobicContact CB-CG 4.2Å; D381-R386 PolarHBondContact O-NE 3.4Å; N382-R386 PolarHBondContact O-N 2.83Å; D383-R386 PolarHBondContact O-N 3.47Å; R386-K389 PolarHBondContact O-N 3.27Å; R386-N390 VanDerWaalsContact O-CG 3.22Å; R386-N390 PolarHBondContact O-N 3.04Å; R386-N390 PolarHBondContact O-ND2 3.32Å |
| 387 | R | 88.2 | Confident | 84.4 | Confident | 148 Ų | 148 | 68.7 Ų | 68.7 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 175.5 | -67.3 | 177.7 | -163.4 | 163.3 | 6 | 111.6 | D383 N390 E391 | D383-R387 WeakPolarHBondContact O-CG 3.47Å; D383-R387 PolarHBondContact O-N 3.28Å; R387-N390 PolarHBondContact O-N 3.46Å; R387-E391 PolarHBondContact O-N 2.77Å |
| 388 | M | 89.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 5% | 0.054 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 176.1 | -166.6 | -172.1 | -50.9 | 0 | 0 | 112.4 | L338 T339 V350 L373 S384 M385 N390 E391 F392 | L338-M388 HydrophobicContact CB-SD 4.1Å; T339-M388 HydrophobicContact CG2-CE 4.35Å; T339-M388 HydrophobicContact CG2-SD 4.18Å; V350-M388 HydrophobicContact CG2-CG 3.94Å; L373-M388 HydrophobicContact CD1-CG 4.07Å; L373-M388 HydrophobicContact CD1-SD 3.63Å; S384-M388 WeakPolarHBondContact O-CB 3.39Å; S384-M388 PolarHBondContact O-N 3.33Å; M385-M388 PolarHBondContact O-N 2.96Å; M388-N390 VanDerWaalsContact C-N 3.34Å; M388-N390 PolarHBondContact O-N 2.95Å; M388-E391 PolarHBondContact O-N 3Å; M388-F392 WeakPolarHBondContact O-CB 3.36Å; M388-F392 PolarHBondContact O-N 3.49Å |
| 389 | K | 89.8 | Confident | 84.9 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 6% | 0.057 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.6 | -48.3 | 173.6 | -80.1 | 174.9 | 175.7 | -177.2 | 0 | 111.3 | L373 L374 T375 D381 M385 R386 F392 F393 | L373-K389 HydrophobicContact CD1-CG 4.41Å; L373-K389 WeakPolarHBondContact O-CD 3.49Å; L373-K389 WeakPolarHBondContact O-CE 3.46Å; L373-K389 WeakPolarHBondContact O-CG 3.37Å; L374-K389 HydrophobicContact CD2-CG 4.48Å; T375-K389 PolarHBondContact O-NZ 2.78Å; T375-K389 PolarHBondContact OG1-NZ 3.29Å; D381-K389 IonicContact OD2-NZ 2.59Å; D381-K389 PolarHBondContact OD2-NZ 2.95Å; M385-K389 HydrophobicContact CG-CD 4.21Å; M385-K389 HydrophobicContact CG-CG 4.46Å; M385-K389 WeakPolarHBondContact O-CB 3.37Å; M385-K389 WeakPolarHBondContact O-CG 3.32Å; M385-K389 PolarHBondContact O-N 3.47Å; R386-K389 PolarHBondContact O-N 3.27Å; K389-F392 PolarHBondContact O-N 3.07Å; K389-F393 VanDerWaalsContact O-CD2 3.26Å; K389-F393 WeakPolarHBondContact O-CD2 3.48Å; K389-F393 WeakPolarHBondContact O-CG 3.29Å; K389-F393 PolarHBondContact O-N 3.15Å; K389-F393 VanDerWaalsContact O-N 3.09Å |
| 390 | N | 90.1 | Very high | 85 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | -178.5 | -70.1 | -14.5 | 0 | 0 | 0 | 112.5 | R386 R387 M388 F392 F393 S394 | R386-N390 VanDerWaalsContact O-CG 3.22Å; R386-N390 PolarHBondContact O-N 3.04Å; R386-N390 PolarHBondContact O-ND2 3.32Å; R387-N390 PolarHBondContact O-N 3.46Å; M388-N390 VanDerWaalsContact C-N 3.34Å; M388-N390 PolarHBondContact O-N 2.95Å; N390-F392 VanDerWaalsContact C-N 3.33Å; N390-F392 PolarHBondContact O-N 2.99Å; N390-F393 PolarHBondContact O-N 2.98Å; N390-S394 WeakPolarHBondContact O-CB 3.3Å; N390-S394 PolarHBondContact O-N 3.38Å |
| 391 | E | 91.8 | Very high | 84.9 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.7 | -178.6 | 67.2 | -163.4 | 0 | 0 | 110.9 | E347 V350 R351 R387 M388 F393 S394 Q395 | E347-E391 HydrophobicContact CG-CB 3.74Å; E347-E391 HydrophobicContact CG-CG 3.74Å; V350-E391 HydrophobicContact CB-CG 4.29Å; V350-E391 HydrophobicContact CG1-CG 4.04Å; R351-E391 IonicContact CZ-OE1 3.42Å; R351-E391 IonicContact CZ-OE2 2.66Å; R351-E391 IonicContact NE-OE1 2.75Å; R351-E391 PolarHBondContact NE-OE1 3.07Å; R351-E391 IonicContact NE-OE2 3.4Å; R351-E391 IonicContact NH2-OE1 2.75Å; R351-E391 PolarHBondContact NH2-OE1 3.29Å; R351-E391 IonicContact NH2-OE2 3.49Å; R351-E391 PolarHBondContact NH2-OE2 3.17Å; R387-E391 PolarHBondContact O-N 2.77Å; M388-E391 PolarHBondContact O-N 3Å; E391-F393 VanDerWaalsContact C-N 3.35Å; E391-F393 PolarHBondContact O-N 2.91Å; E391-S394 WeakPolarHBondContact O-CB 3.49Å; E391-S394 PolarHBondContact O-N 2.78Å; E391-Q395 HydrophobicContact CG-CG 4.39Å; E391-Q395 WeakPolarHBondContact O-CG 3.42Å; E391-Q395 PolarHBondContact O-N 3.44Å; E391-Q395 PolarHBondContact OE1-NE2 2.71Å |
| 392 | F | 92.8 | Very high | 84.9 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 175.8 | -178.7 | -102.3 | 0 | 0 | 0 | 112.2 | V350 F354 I367 L373 L374 M388 K389 N390 Q395 M396 V409 | V350-F392 HydrophobicContact CG1-CB 4.12Å; V350-F392 HydrophobicContact CG1-CD2 4.19Å; F354-F392 AromaticContact CE2-CD2 3.87Å; F354-F392 HydrophobicContact CE2-CD2 3.87Å; F354-F392 AromaticContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CZ-CD2 4.24Å; F354-F392 AromaticContact CZ-CE2 3.85Å; F354-F392 HydrophobicContact CZ-CE2 3.85Å; I367-F392 HydrophobicContact CD1-CD2 4.29Å; I367-F392 HydrophobicContact CD1-CE1 4.44Å; I367-F392 HydrophobicContact CD1-CE2 3.2Å; I367-F392 HydrophobicContact CD1-CZ 3.29Å; L373-F392 HydrophobicContact CD2-CG 4.48Å; L374-F392 HydrophobicContact CD1-CD1 4.33Å; L374-F392 HydrophobicContact CD1-CE1 3.91Å; L374-F392 HydrophobicContact CD2-CD1 3.89Å; L374-F392 HydrophobicContact CD2-CE1 4.3Å; M388-F392 WeakPolarHBondContact O-CB 3.36Å; M388-F392 PolarHBondContact O-N 3.49Å; K389-F392 PolarHBondContact O-N 3.07Å; N390-F392 VanDerWaalsContact C-N 3.33Å; N390-F392 PolarHBondContact O-N 2.99Å; F392-Q395 PolarHBondContact O-N 2.99Å; F392-M396 HydrophobicContact CD1-CG 4.35Å; F392-M396 HydrophobicContact CD1-SD 4.02Å; F392-M396 HydrophobicContact CE1-CG 3.88Å; F392-M396 HydrophobicContact CE1-SD 3.21Å; F392-M396 WeakPolarHBondContact CE1-SD 3.43Å; F392-M396 HydrophobicContact CE2-CG 4.28Å; F392-M396 HydrophobicContact CE2-SD 4.48Å; F392-M396 HydrophobicContact CZ-CG 3.82Å; F392-M396 HydrophobicContact CZ-SD 3.48Å; F392-M396 WeakPolarHBondContact CZ-SD 3.34Å; F392-M396 WeakPolarHBondContact O-CG 3.4Å; F392-M396 PolarHBondContact O-N 3.41Å; F392-V409 HydrophobicContact CZ-CG1 4.08Å |
| 393 | F | 91.9 | Very high | 84.4 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 175.7 | -65.4 | -39.2 | 0 | 0 | 0 | 113 | L374 K389 N390 E391 Q395 M396 E397 A422 A423 R426 | L374-F393 HydrophobicContact CD1-CE1 4.33Å; L374-F393 HydrophobicContact CD2-CE1 3.8Å; L374-F393 HydrophobicContact CD2-CZ 3.74Å; K389-F393 VanDerWaalsContact O-CD2 3.26Å; K389-F393 WeakPolarHBondContact O-CD2 3.48Å; K389-F393 WeakPolarHBondContact O-CG 3.29Å; K389-F393 PolarHBondContact O-N 3.15Å; K389-F393 VanDerWaalsContact O-N 3.09Å; N390-F393 PolarHBondContact O-N 2.98Å; E391-F393 VanDerWaalsContact C-N 3.35Å; E391-F393 PolarHBondContact O-N 2.91Å; F393-Q395 VanDerWaalsContact C-N 3.35Å; F393-Q395 PolarHBondContact O-N 2.78Å; F393-M396 PolarHBondContact O-N 2.89Å; F393-E397 WeakPolarHBondContact O-CG 3.24Å; F393-E397 PolarHBondContact O-N 3.26Å; F393-A422 HydrophobicContact CD2-CB 4.47Å; F393-A422 HydrophobicContact CE2-CB 3.79Å; F393-A422 HydrophobicContact CZ-CB 3.9Å; F393-A423 HydrophobicContact CE1-CB 4.14Å; F393-A423 HydrophobicContact CZ-CB 4.15Å; F393-R426 HydrophobicContact CD1-CG 4.4Å |
| 394 | S | 91.9 | Very high | 84 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | N390 E391 E397 G398 | N390-S394 WeakPolarHBondContact O-CB 3.3Å; N390-S394 PolarHBondContact O-N 3.38Å; E391-S394 WeakPolarHBondContact O-CB 3.49Å; E391-S394 PolarHBondContact O-N 2.78Å; S394-E397 PolarHBondContact O-N 3.39Å; S394-G398 PolarHBondContact O-N 3.17Å; S394-G398 VanDerWaalsContact O-N 3.12Å |
| 395 | Q | 92.5 | Very high | 83.9 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.4 | -67.5 | -59.5 | -29.4 | 0 | 0 | 112.3 | V350 F354 E391 F392 F393 E397 G398 V399 | V350-Q395 HydrophobicContact CG1-CG 4.19Å; F354-Q395 HydrophobicContact CB-CB 4.21Å; F354-Q395 HydrophobicContact CB-CG 4.23Å; F354-Q395 HydrophobicContact CD1-CB 3.78Å; F354-Q395 HydrophobicContact CD2-CB 3.65Å; F354-Q395 HydrophobicContact CD2-CG 4.03Å; F354-Q395 HydrophobicContact CE1-CB 3.96Å; F354-Q395 HydrophobicContact CE2-CB 3.83Å; F354-Q395 HydrophobicContact CG-CB 3.61Å; F354-Q395 HydrophobicContact CG-CG 4.08Å; F354-Q395 HydrophobicContact CZ-CB 3.98Å; E391-Q395 HydrophobicContact CG-CG 4.39Å; E391-Q395 WeakPolarHBondContact O-CG 3.42Å; E391-Q395 PolarHBondContact O-N 3.44Å; E391-Q395 PolarHBondContact OE1-NE2 2.71Å; F392-Q395 PolarHBondContact O-N 2.99Å; F393-Q395 VanDerWaalsContact C-N 3.35Å; F393-Q395 PolarHBondContact O-N 2.78Å; Q395-E397 PolarHBondContact O-N 3.49Å; Q395-G398 PolarHBondContact O-N 3.38Å; Q395-V399 WeakPolarHBondContact O-CG2 3.31Å; Q395-V399 PolarHBondContact O-N 3.3Å |
| 396 | M | 90.9 | Very high | 83.9 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 176 | -79.3 | -165.5 | 77.7 | 0 | 0 | 113.3 | F354 F392 F393 G398 V399 V409 R426 F427 | F354-M396 HydrophobicContact CZ-CG 4.1Å; F392-M396 HydrophobicContact CD1-CG 4.35Å; F392-M396 HydrophobicContact CD1-SD 4.02Å; F392-M396 HydrophobicContact CE1-CG 3.88Å; F392-M396 HydrophobicContact CE1-SD 3.21Å; F392-M396 WeakPolarHBondContact CE1-SD 3.43Å; F392-M396 HydrophobicContact CE2-CG 4.28Å; F392-M396 HydrophobicContact CE2-SD 4.48Å; F392-M396 HydrophobicContact CZ-CG 3.82Å; F392-M396 HydrophobicContact CZ-SD 3.48Å; F392-M396 WeakPolarHBondContact CZ-SD 3.34Å; F392-M396 WeakPolarHBondContact O-CG 3.4Å; F392-M396 PolarHBondContact O-N 3.41Å; F393-M396 PolarHBondContact O-N 2.89Å; M396-G398 VanDerWaalsContact C-N 3.33Å; M396-V399 WeakPolarHBondContact O-CB 3.26Å; M396-V399 PolarHBondContact O-N 3.46Å; M396-V409 HydrophobicContact CE-CB 4.08Å; M396-V409 HydrophobicContact CE-CG1 4.13Å; M396-V409 HydrophobicContact CE-CG2 4.49Å; M396-V409 HydrophobicContact CG-CG2 4.39Å; M396-V409 HydrophobicContact SD-CG1 4.45Å; M396-R426 HydrophobicContact CE-CB 3.83Å; M396-R426 HydrophobicContact SD-CB 4.08Å; M396-F427 HydrophobicContact CE-CD1 4.26Å; M396-F427 HydrophobicContact CE-CE1 3.94Å; M396-F427 HydrophobicContact CE-CZ 4.18Å; M396-F427 HydrophobicContact SD-CZ 4.32Å |
| 397 | E | 87.6 | Confident | 84.2 | Confident | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 177.8 | -75.4 | 174.6 | -168.1 | 0 | 0 | 111.3 | K303 F393 S394 Q395 V399 R426 | K303-E397 PolarHBondContact NZ-O 3.45Å; F393-E397 WeakPolarHBondContact O-CG 3.24Å; F393-E397 PolarHBondContact O-N 3.26Å; S394-E397 PolarHBondContact O-N 3.39Å; Q395-E397 PolarHBondContact O-N 3.49Å; E397-V399 VanDerWaalsContact C-N 3.26Å; E397-V399 PolarHBondContact O-N 3.33Å; E397-R426 IonicContact OE1-CZ 3.89Å; E397-R426 VanDerWaalsContact OE1-CZ 3.31Å; E397-R426 IonicContact OE1-NE 3.09Å; E397-R426 PolarHBondContact OE1-NE 3.27Å; E397-R426 IonicContact OE1-NH2 2.7Å; E397-R426 PolarHBondContact OE1-NH2 2.57Å |
| 398 | G | 81.8 | Confident | 84.4 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.1 | -17.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S394 Q395 M396 G400 V401 | S394-G398 PolarHBondContact O-N 3.17Å; S394-G398 VanDerWaalsContact O-N 3.12Å; Q395-G398 PolarHBondContact O-N 3.38Å; M396-G398 VanDerWaalsContact C-N 3.33Å; G398-G400 PolarHBondContact O-N 3.08Å; G398-V401 VanDerWaalsContact O-CG2 3.3Å; G398-V401 WeakPolarHBondContact O-CG2 3.43Å; G398-V401 PolarHBondContact O-N 3.21Å |
| 399 | V | 77.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 127.9 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | K303 F354 Q395 M396 E397 V401 L407 | K303-V399 HydrophobicContact CB-CG1 4.42Å; K303-V399 HydrophobicContact CD-CB 4.48Å; K303-V399 WeakPolarHBondContact CD-O 3.24Å; K303-V399 WeakPolarHBondContact CE-O 3.16Å; K303-V399 PolarHBondContact NZ-O 3.02Å; F354-V399 HydrophobicContact CD1-CG2 4.11Å; F354-V399 HydrophobicContact CE1-CG2 3.74Å; Q395-V399 WeakPolarHBondContact O-CG2 3.31Å; Q395-V399 PolarHBondContact O-N 3.3Å; M396-V399 WeakPolarHBondContact O-CB 3.26Å; M396-V399 PolarHBondContact O-N 3.46Å; E397-V399 VanDerWaalsContact C-N 3.26Å; E397-V399 PolarHBondContact O-N 3.33Å; V399-V401 VanDerWaalsContact C-N 3.31Å; V399-V401 PolarHBondContact O-N 3.36Å; V399-L407 HydrophobicContact CG1-CB 4Å; V399-L407 HydrophobicContact CG1-CG 4.3Å; V399-L407 VanDerWaalsContact CG1-O 3.24Å; V399-L407 WeakPolarHBondContact CG1-O 3.28Å; V399-L407 HydrophobicContact CG2-CD2 3.92Å; V399-L407 HydrophobicContact CG2-CG 4.42Å |
| 400 | G | 68.9 | Low | 85 | Confident | 39 Ų | 39 | 53 Ų | 53 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 18.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G398 S402 E405 | G398-G400 PolarHBondContact O-N 3.08Å; G400-S402 VanDerWaalsContact C-N 3.29Å; G400-E405 PolarHBondContact N-OE2 2.94Å |
| 401 | V | 69.3 | Low | 85.3 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 69% | 0.685 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -66.4 | -39.5 | 166 | 173.5 | 0 | 0 | 0 | 0 | 109.6 | G398 V399 | G398-V401 VanDerWaalsContact O-CG2 3.3Å; G398-V401 WeakPolarHBondContact O-CG2 3.43Å; G398-V401 PolarHBondContact O-N 3.21Å; V399-V401 VanDerWaalsContact C-N 3.31Å; V399-V401 PolarHBondContact O-N 3.36Å |
| 402 | S | 71 | Confident | 85.6 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -87.4 | 131.9 | 172.2 | -61.6 | 0 | 0 | 0 | 0 | 110.1 | G400 E404 E405 | G400-S402 VanDerWaalsContact C-N 3.29Å; S402-E404 PolarHBondContact O-N 2.78Å; S402-E404 VanDerWaalsContact O-N 3.07Å; S402-E405 PolarHBondContact O-N 3.06Å |
| 403 | K | 70.1 | Confident | 85.7 | Confident | 216 Ų | 216 | 47.5 Ų | 47.5 | 94% | 0.939 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22 | 176.1 | -68.2 | -178.2 | -179.6 | 176.2 | 0 | 113.2 | ||
| 404 | E | 74.9 | Confident | 85.9 | Confident | 171 Ų | 171 | 48.5 Ų | 48.5 | 80% | 0.799 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.7 | -179.6 | -63 | 174.4 | -174 | 0 | 0 | 113 | S402 R406 | S402-E404 PolarHBondContact O-N 2.78Å; S402-E404 VanDerWaalsContact O-N 3.07Å; E404-R406 PolarHBondContact O-N 3.17Å |
| 405 | E | 79.9 | Confident | 86 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | trans | -79.9 | 103.2 | -178.7 | -171.1 | -175.7 | -176.4 | 0 | 0 | 110.3 | R358 G400 S402 L407 | R358-E405 WeakPolarHBondContact CD-OE1 3.15Å; R358-E405 HydrophobicContact CG-CG 4.09Å; R358-E405 WeakPolarHBondContact CG-OE1 3.12Å; R358-E405 IonicContact CZ-OE1 3.31Å; R358-E405 IonicContact NE-OE1 3.7Å; R358-E405 PolarHBondContact NE-OE1 2.66Å; G400-E405 PolarHBondContact N-OE2 2.94Å; S402-E405 PolarHBondContact O-N 3.06Å; E405-L407 HydrophobicContact CG-CB 4.04Å; E405-L407 PolarHBondContact O-N 3.46Å | ||
| 406 | R | 86.1 | Confident | 86.1 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | trans | -101.8 | 73 | 175.5 | -65.6 | -176.4 | -67.1 | 173.2 | -3.5 | 109.8 | M289 S361 P362 S363 E404 | M289-R406 HydrophobicContact CE-CB 4.02Å; M289-R406 HydrophobicContact CE-CG 4.36Å; M289-R406 HydrophobicContact SD-CB 4.08Å; S361-R406 PolarHBondContact OG-N 2.88Å; S361-R406 VanDerWaalsContact OG-N 3.16Å; P362-R406 WeakPolarHBondContact CA-O 3.32Å; P362-R406 HydrophobicContact CB-CB 4.02Å; S363-R406 PolarHBondContact N-O 2.96Å; E404-R406 PolarHBondContact O-N 3.17Å | ||
| 407 | L | 92.1 | Very high | 86.2 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.8 | -179.7 | -179.1 | 63.2 | 0 | 0 | 0 | 110.2 | F354 A357 R358 S363 I365 V399 E405 | F354-L407 HydrophobicContact CD1-CD2 3.76Å; F354-L407 HydrophobicContact CE1-CD2 4.2Å; A357-L407 HydrophobicContact CB-CD1 3.71Å; A357-L407 HydrophobicContact CB-CD2 4.4Å; R358-L407 HydrophobicContact CG-CD2 4.31Å; S363-L407 WeakPolarHBondContact O-CA 3.46Å; I365-L407 HydrophobicContact CD1-CD1 3.84Å; I365-L407 HydrophobicContact CD1-CD2 4.17Å; I365-L407 HydrophobicContact CD1-CG 4.42Å; I365-L407 HydrophobicContact CG1-CD1 3.92Å; V399-L407 HydrophobicContact CG1-CB 4Å; V399-L407 HydrophobicContact CG1-CG 4.3Å; V399-L407 VanDerWaalsContact CG1-O 3.24Å; V399-L407 WeakPolarHBondContact CG1-O 3.28Å; V399-L407 HydrophobicContact CG2-CD2 3.92Å; V399-L407 HydrophobicContact CG2-CG 4.42Å; E405-L407 HydrophobicContact CG-CB 4.04Å; E405-L407 PolarHBondContact O-N 3.46Å |
| 408 | L | 92.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133 | 175.9 | 174.6 | 68.8 | 0 | 0 | 0 | 110.1 | V285 S302 V305 I322 S363 V364 I365 I410 | V285-L408 HydrophobicContact CB-CD2 4.26Å; V285-L408 HydrophobicContact CG1-CD2 3.38Å; V285-L408 HydrophobicContact CG2-CD1 4.3Å; V285-L408 HydrophobicContact CG2-CD2 3.79Å; S302-L408 VanDerWaalsContact O-CD1 3.27Å; S302-L408 WeakPolarHBondContact O-CD1 3.37Å; V305-L408 HydrophobicContact CG2-CD1 4.08Å; I322-L408 HydrophobicContact CG2-CD2 4.25Å; S363-L408 PolarHBondContact O-N 2.94Å; V364-L408 CarbonylContact C-O 3.53Å; V364-L408 WeakPolarHBondContact CA-O 3.43Å; V364-L408 HydrophobicContact CG2-CB 4.39Å; V364-L408 HydrophobicContact CG2-CD2 4.42Å; I365-L408 PolarHBondContact N-O 2.7Å; L408-I410 HydrophobicContact CD2-CD1 3.89Å; L408-I410 HydrophobicContact CD2-CG1 3.84Å; L408-I410 HydrophobicContact CG-CG1 3.96Å |
| 409 | V | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.9 | 172 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | K303 G304 V305 F354 I365 I367 F392 M396 F427 | K303-V409 PolarHBondContact O-N 3.44Å; K303-V409 VanDerWaalsContact O-N 3.1Å; G304-V409 VanDerWaalsContact CA-O 3.31Å; G304-V409 WeakPolarHBondContact CA-O 3.32Å; V305-V409 PolarHBondContact N-O 2.96Å; F354-V409 HydrophobicContact CE1-CG2 3.91Å; F354-V409 HydrophobicContact CZ-CG2 4.01Å; I365-V409 CarbonylContact O-C 3.59Å; I365-V409 WeakPolarHBondContact O-CA 3.13Å; I367-V409 HydrophobicContact CD1-CG1 4.23Å; F392-V409 HydrophobicContact CZ-CG1 4.08Å; M396-V409 HydrophobicContact CE-CB 4.08Å; M396-V409 HydrophobicContact CE-CG1 4.13Å; M396-V409 HydrophobicContact CE-CG2 4.49Å; M396-V409 HydrophobicContact CG-CG2 4.39Å; M396-V409 HydrophobicContact SD-CG1 4.45Å; V409-F427 HydrophobicContact CG1-CE1 4.1Å; V409-F427 HydrophobicContact CG1-CZ 4.45Å |
| 410 | I | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.3 | 175.6 | -55 | 179.5 | 0 | 0 | 0 | 108.2 | V305 L307 I322 V364 I365 F366 I367 L408 | V305-I410 CarbonylContact O-C 3.6Å; V305-I410 VanDerWaalsContact O-CA 3.29Å; V305-I410 WeakPolarHBondContact O-CA 3.42Å; L307-I410 HydrophobicContact CD1-CG2 3.93Å; L307-I410 HydrophobicContact CG-CG2 3.94Å; I322-I410 HydrophobicContact CB-CD1 4.17Å; I322-I410 HydrophobicContact CD1-CD1 3.79Å; I322-I410 HydrophobicContact CG2-CD1 3.91Å; V364-I410 HydrophobicContact CG1-CD1 3.56Å; V364-I410 HydrophobicContact CG1-CG1 4Å; I365-I410 PolarHBondContact O-N 3.02Å; F366-I410 CarbonylContact C-O 3.59Å; F366-I410 WeakPolarHBondContact CA-O 3.13Å; F366-I410 HydrophobicContact CD2-CB 3.99Å; F366-I410 HydrophobicContact CD2-CG2 3.74Å; F366-I410 HydrophobicContact CE2-CG2 4.07Å; I367-I410 PolarHBondContact N-O 3.01Å; L408-I410 HydrophobicContact CD2-CD1 3.89Å; L408-I410 HydrophobicContact CD2-CG1 3.84Å; L408-I410 HydrophobicContact CG-CG1 3.96Å |
| 411 | G | 96.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 138.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | V305 L306 L307 I367 | V305-G411 PolarHBondContact O-N 3.23Å; L306-G411 CarbonylContact C-O 3.48Å; L306-G411 WeakPolarHBondContact CA-O 3.3Å; L307-G411 PolarHBondContact N-O 3.32Å; I367-G411 CarbonylContact O-C 3.53Å |
| 412 | A | 97.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L307 K315 F366 I367 E369 V370 | L307-A412 WeakPolarHBondContact O-CA 3.5Å; K315-A412 HydrophobicContact CB-CB 4.13Å; K315-A412 HydrophobicContact CD-CB 4.47Å; F366-A412 HydrophobicContact CE1-CB 4.42Å; F366-A412 HydrophobicContact CE2-CB 3.7Å; F366-A412 HydrophobicContact CZ-CB 3.41Å; F366-A412 VanDerWaalsContact CZ-CB 3.41Å; I367-A412 PolarHBondContact O-N 3.31Å; E369-A412 WeakPolarHBondContact CA-O 3.43Å; E369-A412 PolarHBondContact N-O 3.09Å; V370-A412 WeakPolarHBondContact CG2-O 3.45Å; V370-A412 PolarHBondContact N-O 2.89Å |
| 413 | T | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.5 | 177.4 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | L306 L307 F308 G309 K315 V370 D371 R415 P416 L419 | L306-T413 HydrophobicContact CD1-CG2 4.03Å; L306-T413 HydrophobicContact CD2-CG2 4.42Å; L306-T413 HydrophobicContact CG-CG2 4.42Å; L307-T413 PolarHBondContact O-N 3.09Å; F308-T413 WeakPolarHBondContact CA-O 3.26Å; F308-T413 HydrophobicContact CB-CG2 3.8Å; G309-T413 PolarHBondContact N-O 3.13Å; K315-T413 WeakPolarHBondContact CE-O 3.28Å; V370-T413 HydrophobicContact CG2-CG2 4.42Å; D371-T413 WeakPolarHBondContact CB-OG1 3.05Å; D371-T413 WeakPolarHBondContact OD1-CB 3.26Å; D371-T413 PolarHBondContact OD1-OG1 3.22Å; T413-R415 PolarHBondContact OG1-N 3.49Å; T413-P416 HydrophobicContact CG2-CB 4.08Å; T413-L419 HydrophobicContact CG2-CD1 4.13Å |
| 414 | N | 95.3 | Very high | 91.9 | Very high | 43 Ų | 43 | 37.7 Ų | 37.7 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -93.9 | -11 | 167.3 | -60.6 | -44.7 | 0 | 0 | 0 | 111.8 | G309 K315 Y532 | G309-N414 PolarHBondContact O-OD1 2.92Å; K315-N414 WeakPolarHBondContact CE-OD1 3.11Å; K315-N414 PolarHBondContact NZ-OD1 3.12Å; N414-Y532 VanDerWaalsContact O-CE1 3.31Å; N414-Y532 WeakPolarHBondContact O-CE1 3.46Å; N414-Y532 PolarHBondContact O-OH 3.31Å |
| 415 | R | 94 | Very high | 92.8 | Very high | 114 Ų | 114 | 37.6 Ų | 37.6 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | trans | -132.6 | 66.2 | -171.4 | -55.9 | -171.1 | -173.4 | 176.8 | 3.3 | 111.6 | D371 T413 W417 E418 | D371-R415 HydrophobicContact CB-CB 4.48Å; T413-R415 PolarHBondContact OG1-N 3.49Å; R415-W417 HydrophobicContact CB-CZ2 4.05Å; R415-W417 HydrophobicContact CG-CZ2 4.04Å; R415-W417 PolarHBondContact O-N 3.35Å; R415-W417 VanDerWaalsContact O-N 3.08Å; R415-E418 HydrophobicContact CB-CB 4.38Å; R415-E418 HydrophobicContact CB-CG 4.06Å; R415-E418 WeakPolarHBondContact CD-OE1 3.43Å; R415-E418 IonicContact CZ-OE1 3.03Å; R415-E418 IonicContact NE-OE1 3.55Å; R415-E418 IonicContact NH1-OE1 3.3Å; R415-E418 PolarHBondContact NH1-OE1 3.02Å; R415-E418 IonicContact NH1-OE2 2.79Å; R415-E418 PolarHBondContact O-N 3.3Å | ||
| 416 | P | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -63.6 | -19.4 | -173.5 | 30.1 | -39.5 | 0 | 0 | 0 | 114 | F308 T413 E418 Y532 W535 | F308-P416 HydrophobicContact CB-CB 4Å; F308-P416 HydrophobicContact CB-CG 4.2Å; F308-P416 HydrophobicContact CD2-CB 4.2Å; F308-P416 HydrophobicContact CD2-CG 3.85Å; F308-P416 HydrophobicContact CG-CB 4.19Å; F308-P416 HydrophobicContact CG-CG 4.29Å; T413-P416 HydrophobicContact CG2-CB 4.08Å; P416-E418 VanDerWaalsContact C-N 3.33Å; P416-Y532 HydrophobicContact CG-CD1 4.26Å; P416-Y532 HydrophobicContact CG-CE1 4.47Å; P416-W535 HydrophobicContact CB-CD2 3.77Å; P416-W535 HydrophobicContact CB-CE3 4.07Å; P416-W535 HydrophobicContact CB-CG 4.32Å; P416-W535 HydrophobicContact CB-CH2 4.02Å; P416-W535 HydrophobicContact CB-CZ2 3.71Å; P416-W535 HydrophobicContact CB-CZ3 4.2Å; P416-W535 HydrophobicContact CG-CD2 4.03Å; P416-W535 HydrophobicContact CG-CE3 4.37Å; P416-W535 HydrophobicContact CG-CG 4.16Å; P416-W535 PolarHBondContact O-NE1 3.41Å |
| 417 | W | 93.8 | Very high | 93.8 | Very high | 84 Ų | 84 | 34.9 Ų | 34.9 | 32% | 0.318 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -73.5 | -18.5 | 174.7 | 52 | 83 | 0 | 0 | 0 | 114.5 | K376 R415 L419 E531 Y532 | K376-W417 VanDerWaalsContact CE-O 3.32Å; K376-W417 WeakPolarHBondContact CE-O 3.36Å; K376-W417 PolarHBondContact NZ-O 3.43Å; R415-W417 HydrophobicContact CB-CZ2 4.05Å; R415-W417 HydrophobicContact CG-CZ2 4.04Å; R415-W417 PolarHBondContact O-N 3.35Å; R415-W417 VanDerWaalsContact O-N 3.08Å; W417-L419 VanDerWaalsContact C-N 3.34Å; W417-E531 HydrophobicContact CZ3-CB 4.38Å; W417-Y532 AromaticContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE2 4.42Å; W417-Y532 AromaticContact CH2-CZ 3.82Å; W417-Y532 HydrophobicContact CZ3-CD1 4.01Å; W417-Y532 AromaticContact CZ3-CE1 3.74Å; W417-Y532 HydrophobicContact CZ3-CE1 3.74Å |
| 418 | E | 93.3 | Very high | 93.7 | Very high | 58 Ų | 58 | 37.8 Ų | 37.8 | 27% | 0.271 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -81.3 | -15.6 | 176.3 | -66.2 | -171.7 | -167.5 | 0 | 0 | 112.7 | D371 T375 K376 R415 P416 | D371-E418 HydrophobicContact CB-CB 4.42Å; T375-E418 WeakPolarHBondContact CA-O 3.29Å; K376-E418 PolarHBondContact N-O 2.94Å; R415-E418 HydrophobicContact CB-CB 4.38Å; R415-E418 HydrophobicContact CB-CG 4.06Å; R415-E418 WeakPolarHBondContact CD-OE1 3.43Å; R415-E418 IonicContact CZ-OE1 3.03Å; R415-E418 IonicContact NE-OE1 3.55Å; R415-E418 IonicContact NH1-OE1 3.3Å; R415-E418 PolarHBondContact NH1-OE1 3.02Å; R415-E418 IonicContact NH1-OE2 2.79Å; R415-E418 PolarHBondContact O-N 3.3Å; P416-E418 VanDerWaalsContact C-N 3.33Å |
| 419 | L | 92.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 135.7 | 180 | -68.1 | 174.5 | 0 | 0 | 0 | 112.4 | L306 V370 D371 L374 T413 W417 A423 R424 | L306-L419 HydrophobicContact CD1-CD1 4.07Å; L306-L419 HydrophobicContact CD2-CD1 3.59Å; V370-L419 HydrophobicContact CG2-CD2 4.17Å; D371-L419 HydrophobicContact CB-CD2 4.42Å; L374-L419 HydrophobicContact CB-CD2 3.94Å; T413-L419 HydrophobicContact CG2-CD1 4.13Å; W417-L419 VanDerWaalsContact C-N 3.34Å; L419-A423 HydrophobicContact CD2-CB 4.44Å; L419-R424 HydrophobicContact CB-CG 4.49Å |
| 420 | D | 90.4 | Very high | 93.8 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | trans | -68.7 | 157 | 174.8 | -165.2 | 10.8 | 0 | 0 | 0 | 112.3 | L374 A422 A423 R424 | L374-D420 PolarHBondContact O-N 3.5Å; L374-D420 VanDerWaalsContact O-N 3.14Å; D420-A422 PolarHBondContact O-N 2.86Å; D420-A423 PolarHBondContact O-N 3.18Å; D420-R424 PolarHBondContact O-N 2.91Å; D420-R424 VanDerWaalsContact O-N 3.1Å | ||
| 421 | E | 91.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -46.9 | -42.9 | 168.8 | -64.9 | -107.2 | 126.9 | 0 | 0 | 111.8 | R424 R425 | E421-R424 VanDerWaalsContact CD-NH2 3.33Å; E421-R424 VanDerWaalsContact CG-NH2 3.25Å; E421-R424 PolarHBondContact O-N 2.89Å; E421-R424 IonicContact OE1-CZ 3.86Å; E421-R424 IonicContact OE1-NH2 2.99Å; E421-R424 PolarHBondContact OE1-NH2 3.34Å; E421-R425 WeakPolarHBondContact O-CG 3.38Å; E421-R425 PolarHBondContact O-N 2.96Å; E421-R425 IonicContact OE2-NH2 3.42Å; E421-R425 PolarHBondContact OE2-NH2 3.39Å |
| 422 | A | 92 | Very high | 93.7 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -49.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F393 D420 R424 R425 R426 | F393-A422 HydrophobicContact CD2-CB 4.47Å; F393-A422 HydrophobicContact CE2-CB 3.79Å; F393-A422 HydrophobicContact CZ-CB 3.9Å; D420-A422 PolarHBondContact O-N 2.86Å; A422-R424 PolarHBondContact O-N 2.92Å; A422-R425 PolarHBondContact O-N 2.74Å; A422-R426 VanDerWaalsContact C-NH1 3.35Å; A422-R426 WeakPolarHBondContact O-CD 3.39Å; A422-R426 PolarHBondContact O-N 2.87Å; A422-R426 PolarHBondContact O-NH1 3.37Å |
| 423 | A | 92.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L374 F393 L419 D420 R425 R426 F427 | L374-A423 HydrophobicContact CB-CB 3.91Å; L374-A423 HydrophobicContact CD1-CB 3.86Å; L374-A423 HydrophobicContact CG-CB 4.44Å; F393-A423 HydrophobicContact CE1-CB 4.14Å; F393-A423 HydrophobicContact CZ-CB 4.15Å; L419-A423 HydrophobicContact CD2-CB 4.44Å; D420-A423 PolarHBondContact O-N 3.18Å; A423-R425 VanDerWaalsContact C-N 3.26Å; A423-R425 PolarHBondContact O-N 3.29Å; A423-R426 PolarHBondContact O-N 3.1Å; A423-R426 VanDerWaalsContact O-N 3.08Å; A423-F427 WeakPolarHBondContact O-CD2 3.41Å; A423-F427 PolarHBondContact O-N 3.06Å |
| 424 | R | 92.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.8 | -39.8 | 176.5 | -72.7 | -175.3 | -71.8 | 146.6 | 1.8 | 111.9 | L419 D420 E421 A422 R426 F427 R430 Y539 | L419-R424 HydrophobicContact CB-CG 4.49Å; D420-R424 PolarHBondContact O-N 2.91Å; D420-R424 VanDerWaalsContact O-N 3.1Å; E421-R424 VanDerWaalsContact CD-NH2 3.33Å; E421-R424 VanDerWaalsContact CG-NH2 3.25Å; E421-R424 PolarHBondContact O-N 2.89Å; E421-R424 IonicContact OE1-CZ 3.86Å; E421-R424 IonicContact OE1-NH2 2.99Å; E421-R424 PolarHBondContact OE1-NH2 3.34Å; A422-R424 PolarHBondContact O-N 2.92Å; R424-R426 PolarHBondContact O-N 3.34Å; R424-F427 VanDerWaalsContact O-O 3.06Å; R424-R430 PolarHBondContact O-NH2 3.4Å; R424-Y539 PolarHBondContact NH1-OH 3.32Å; R424-Y539 VanDerWaalsContact NH1-OH 3.14Å |
| 425 | R | 92.6 | Very high | 93.4 | Very high | 169 Ų | 169 | 47.5 Ų | 47.5 | 64% | 0.638 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -65 | -33.3 | 178 | -70 | 176.8 | -168.6 | 175.8 | 6.9 | 113.8 | E421 A422 A423 | E421-R425 WeakPolarHBondContact O-CG 3.38Å; E421-R425 PolarHBondContact O-N 2.96Å; E421-R425 IonicContact OE2-NH2 3.42Å; E421-R425 PolarHBondContact OE2-NH2 3.39Å; A422-R425 PolarHBondContact O-N 2.74Å; A423-R425 VanDerWaalsContact C-N 3.26Å; A423-R425 PolarHBondContact O-N 3.29Å |
| 426 | R | 92.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 23% | 0.234 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -84.8 | -36.5 | -176.2 | -75.4 | 77.5 | -177.4 | 172.9 | -3.1 | 112.2 | F393 M396 E397 A422 A423 R424 T428 | F393-R426 HydrophobicContact CD1-CG 4.4Å; M396-R426 HydrophobicContact CE-CB 3.83Å; M396-R426 HydrophobicContact SD-CB 4.08Å; E397-R426 IonicContact OE1-CZ 3.89Å; E397-R426 VanDerWaalsContact OE1-CZ 3.31Å; E397-R426 IonicContact OE1-NE 3.09Å; E397-R426 PolarHBondContact OE1-NE 3.27Å; E397-R426 IonicContact OE1-NH2 2.7Å; E397-R426 PolarHBondContact OE1-NH2 2.57Å; A422-R426 VanDerWaalsContact C-NH1 3.35Å; A422-R426 WeakPolarHBondContact O-CD 3.39Å; A422-R426 PolarHBondContact O-N 2.87Å; A422-R426 PolarHBondContact O-NH1 3.37Å; A423-R426 PolarHBondContact O-N 3.1Å; A423-R426 VanDerWaalsContact O-N 3.08Å; R424-R426 PolarHBondContact O-N 3.34Å; R426-T428 PolarHBondContact O-N 2.66Å; R426-T428 VanDerWaalsContact O-N 3.13Å |
| 427 | F | 94.2 | Very high | 93 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | trans | -81.5 | 85.8 | 169.1 | -65.8 | -67.2 | 0 | 0 | 0 | 109.8 | G304 V305 L306 L374 M396 V409 A423 R424 R430 | G304-F427 CarbonylContact O-C 3.46Å; V305-F427 WeakPolarHBondContact O-CD1 3.44Å; L306-F427 HydrophobicContact CB-CB 3.81Å; L306-F427 HydrophobicContact CB-CD1 4.32Å; L306-F427 HydrophobicContact CB-CG 4.03Å; L306-F427 HydrophobicContact CD1-CD2 4.36Å; L306-F427 HydrophobicContact CD1-CG 4.48Å; L374-F427 HydrophobicContact CD1-CE2 3.74Å; L374-F427 HydrophobicContact CD1-CZ 4.4Å; M396-F427 HydrophobicContact CE-CD1 4.26Å; M396-F427 HydrophobicContact CE-CE1 3.94Å; M396-F427 HydrophobicContact CE-CZ 4.18Å; M396-F427 HydrophobicContact SD-CZ 4.32Å; V409-F427 HydrophobicContact CG1-CE1 4.1Å; V409-F427 HydrophobicContact CG1-CZ 4.45Å; A423-F427 WeakPolarHBondContact O-CD2 3.41Å; A423-F427 PolarHBondContact O-N 3.06Å; R424-F427 VanDerWaalsContact O-O 3.06Å; F427-R430 PolarHBondContact O-NE 3.42Å; F427-R430 PolarHBondContact O-NH2 2.75Å | ||
| 428 | T | 91.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 43% | 0.429 | 22% | 0.217 | S | C | . | . | trans | -71.7 | -34.8 | -172.5 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | S302 G304 R426 | S302-T428 WeakPolarHBondContact CB-OG1 3.47Å; G304-T428 PolarHBondContact O-N 3.47Å; G304-T428 VanDerWaalsContact O-N 3.15Å; R426-T428 PolarHBondContact O-N 2.66Å; R426-T428 VanDerWaalsContact O-N 3.13Å | ||
| 429 | R | 93.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 50 Ų | 50 | 36% | 0.362 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.8 | 175.9 | -58 | -64.1 | -172.9 | -168.4 | 0.9 | 109 | I284 V305 L306 | I284-R429 HydrophobicContact CD1-CB 3.86Å; I284-R429 HydrophobicContact CD1-CG 3.93Å; V305-R429 CarbonylContact C-O 3.49Å; V305-R429 WeakPolarHBondContact CA-O 3.44Å; V305-R429 HydrophobicContact CG2-CB 4.25Å; L306-R429 PolarHBondContact N-O 3.49Å |
| 430 | R | 95.4 | Very high | 92 | Very high | 52 Ų | 52 | 50 Ų | 50 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.9 | 177.2 | -48.7 | 104.5 | -169.6 | 168.4 | 8.4 | 109.6 | L306 F308 R424 F427 W535 Y539 F541 | L306-R430 HydrophobicContact CB-CB 4.19Å; L306-R430 HydrophobicContact CB-CG 3.94Å; L306-R430 HydrophobicContact CD2-CB 4.35Å; L306-R430 HydrophobicContact CD2-CG 4.02Å; L306-R430 CarbonylContact O-C 3.58Å; L306-R430 VanDerWaalsContact O-CA 3.31Å; L306-R430 WeakPolarHBondContact O-CA 3.18Å; F308-R430 HydrophobicContact CD1-CB 4.18Å; F308-R430 HydrophobicContact CE1-CB 3.92Å; R424-R430 PolarHBondContact O-NH2 3.4Å; F427-R430 PolarHBondContact O-NE 3.42Å; F427-R430 PolarHBondContact O-NH2 2.75Å; R430-W535 HydrophobicContact CB-CH2 4.21Å; R430-W535 HydrophobicContact CB-CZ3 4.08Å; R430-W535 HydrophobicContact CG-CH2 4.17Å; R430-Y539 WeakPolarHBondContact CD-O 3.49Å; R430-Y539 PolarHBondContact NH1-O 3.3Å; R430-F541 WeakPolarHBondContact O-CB 3.33Å; R430-F541 PolarHBondContact O-N 3.48Å |
| 431 | L | 95.1 | Very high | 92 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.7 | -174.5 | -61.9 | 172.1 | 0 | 0 | 0 | 109.7 | V277 A280 I281 I284 V305 L306 L307 F308 F541 | V277-L431 HydrophobicContact CG1-CB 4.44Å; V277-L431 HydrophobicContact CG1-CD1 4.38Å; A280-L431 HydrophobicContact CB-CD2 4.29Å; I281-L431 HydrophobicContact CD1-CD1 3.92Å; I281-L431 HydrophobicContact CG1-CD1 3.36Å; I284-L431 HydrophobicContact CD1-CD1 4.28Å; V305-L431 HydrophobicContact CG1-CD1 4.04Å; V305-L431 HydrophobicContact CG1-CG 4.48Å; L306-L431 PolarHBondContact O-N 3.5Å; L307-L431 HydrophobicContact CD2-CB 3.99Å; L307-L431 HydrophobicContact CD2-CD1 3.96Å; F308-L431 VanDerWaalsContact CD1-O 3.26Å; F308-L431 WeakPolarHBondContact CD1-O 3.32Å; F308-L431 VanDerWaalsContact CE1-C 3.41Å; F308-L431 PolarHBondContact N-O 3.41Å; L431-F541 HydrophobicContact CD2-CB 4.3Å; L431-F541 HydrophobicContact CD2-CD1 3.75Å |
| 432 | Y | 95.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.2 | 173.1 | 178.9 | -134.9 | 0 | 0 | 0 | 110.3 | F308 P434 Y532 E533 N536 | F308-Y432 AromaticContact CD2-CD2 3.95Å; F308-Y432 HydrophobicContact CD2-CD2 3.95Å; F308-Y432 AromaticContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CG 4.02Å; F308-Y432 VanDerWaalsContact CZ-CB 3.5Å; F308-Y432 HydrophobicContact CZ-CD2 4.19Å; F308-Y432 HydrophobicContact CZ-CG 4.2Å; F308-Y432 CarbonylContact O-C 3.57Å; F308-Y432 WeakPolarHBondContact O-CA 3.48Å; Y432-P434 HydrophobicContact CD1-CB 4.26Å; Y432-P434 HydrophobicContact CE1-CB 3.63Å; Y432-P434 HydrophobicContact CE1-CG 4.4Å; Y432-P434 VanDerWaalsContact O-CD 3.27Å; Y432-P434 WeakPolarHBondContact O-CD 3.43Å; Y432-Y532 HydrophobicContact CE2-CD1 4.5Å; Y432-Y532 HydrophobicContact CE2-CG 4.14Å; Y432-E533 HydrophobicContact CE1-CG 4.49Å; Y432-N536 WeakPolarHBondContact CB-OD1 3.23Å; Y432-N536 HydrophobicContact CG-CB 4.34Å |
| 433 | I | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -107.8 | 92.9 | 174.7 | -48.5 | -54 | 0 | 0 | 0 | 108.1 | L274 V277 L307 F308 T313 K315 I318 | L274-I433 HydrophobicContact CD1-CG2 3.85Å; L274-I433 HydrophobicContact CD2-CG2 4.48Å; V277-I433 HydrophobicContact CG1-CD1 3.65Å; L307-I433 HydrophobicContact CB-CG1 4.4Å; L307-I433 HydrophobicContact CD2-CD1 4.45Å; F308-I433 PolarHBondContact O-N 3.49Å; T313-I433 WeakPolarHBondContact OG1-CG2 3.44Å; T313-I433 PolarHBondContact OG1-O 3.05Å; K315-I433 HydrophobicContact CG-CB 4.22Å; K315-I433 HydrophobicContact CG-CG1 3.99Å; I318-I433 HydrophobicContact CD1-CD1 3.78Å; I318-I433 HydrophobicContact CD1-CG1 4.21Å; I318-I433 HydrophobicContact CD1-CG2 4.03Å | ||
| 434 | P | 93.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -70.3 | 173.4 | -177.8 | 29.2 | -36.9 | 0 | 0 | 0 | 112.6 | L274 T313 Y432 | L274-P434 HydrophobicContact CD2-CG 3.84Å; T313-P434 WeakPolarHBondContact CG2-O 3.5Å; Y432-P434 HydrophobicContact CD1-CB 4.26Å; Y432-P434 HydrophobicContact CE1-CB 3.63Å; Y432-P434 HydrophobicContact CE1-CG 4.4Å; Y432-P434 VanDerWaalsContact O-CD 3.27Å; Y432-P434 WeakPolarHBondContact O-CD 3.43Å |
| 435 | L | 93.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 47 Ų | 47 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 147.4 | 164.2 | -67.9 | -179.1 | 0 | 0 | 0 | 110.8 | P310 T313 N437 V524 I529 | P310-L435 HydrophobicContact CB-CD2 4.17Å; P310-L435 HydrophobicContact CG-CD2 4.33Å; P310-L435 HydrophobicContact CG-CG 4.39Å; T313-L435 HydrophobicContact CG2-CD2 4.03Å; L435-N437 PolarHBondContact O-N 2.82Å; L435-V524 HydrophobicContact CD1-CG1 4.35Å; L435-V524 HydrophobicContact CD2-CB 4.44Å; L435-V524 HydrophobicContact CD2-CG1 4.4Å; L435-V524 HydrophobicContact CD2-CG2 4.14Å; L435-I529 HydrophobicContact CD1-CD1 3.48Å; L435-I529 VanDerWaalsContact CD1-CD1 3.48Å; L435-I529 HydrophobicContact CD1-CG1 4.36Å; L435-I529 HydrophobicContact CG-CD1 4.42Å |
| 436 | P | 91.5 | Very high | 90.4 | Very high | 17 Ų | 17 | 41 Ų | 41 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 133.2 | -179 | 26.5 | -34.7 | 0 | 0 | 0 | 110.5 | A440 R441 I444 Y474 | P436-A440 HydrophobicContact CB-CB 3.81Å; P436-R441 HydrophobicContact CB-CG 3.82Å; P436-R441 HydrophobicContact CG-CG 3.69Å; P436-R441 PolarHBondContact O-NH1 3.22Å; P436-I444 HydrophobicContact CB-CD1 4.26Å; P436-Y474 WeakPolarHBondContact CD-O 3.37Å |
| 437 | N | 88.6 | Confident | 90 | Very high | 96 Ų | 96 | 41.5 Ų | 41.5 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | trans | -68.4 | 174.1 | 171.3 | 69.9 | 7.9 | 0 | 0 | 0 | 111 | L435 Q439 A440 R441 | L435-N437 PolarHBondContact O-N 2.82Å; N437-Q439 VanDerWaalsContact C-N 3.29Å; N437-Q439 PolarHBondContact O-N 2.87Å; N437-Q439 PolarHBondContact OD1-N 2.81Å; N437-A440 PolarHBondContact O-N 2.83Å; N437-A440 WeakPolarHBondContact OD1-CB 3.39Å; N437-A440 PolarHBondContact OD1-N 2.77Å; N437-R441 WeakPolarHBondContact O-CG 3.47Å; N437-R441 PolarHBondContact O-N 3.22Å | ||
| 438 | L | 85.1 | Confident | 89.5 | Confident | 59 Ų | 59 | 44 Ų | 44 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.3 | -45.4 | -177.6 | 178.9 | 62 | 0 | 0 | 0 | 112.5 | A440 R441 A442 N468 | L438-A440 PolarHBondContact O-N 3.16Å; L438-R441 PolarHBondContact O-N 2.87Å; L438-A442 PolarHBondContact O-N 3.48Å; L438-N468 HydrophobicContact CD1-CB 4.46Å; L438-N468 WeakPolarHBondContact CD1-OD1 3.3Å; L438-N468 VanDerWaalsContact CD2-OD1 3.24Å; L438-N468 WeakPolarHBondContact CD2-OD1 3.19Å |
| 439 | Q | 85.8 | Confident | 89 | Confident | 137 Ų | 137 | 41.5 Ų | 41.5 | 64% | 0.64 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.7 | -42.5 | 179.8 | -170.1 | 62.2 | 19.9 | 0 | 0 | 112 | N437 A442 D443 | N437-Q439 VanDerWaalsContact C-N 3.29Å; N437-Q439 PolarHBondContact O-N 2.87Å; N437-Q439 PolarHBondContact OD1-N 2.81Å; Q439-A442 PolarHBondContact O-N 3.48Å; Q439-D443 WeakPolarHBondContact O-CB 3.24Å; Q439-D443 PolarHBondContact O-N 3.25Å |
| 440 | A | 89.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A272 P436 N437 L438 D443 I444 | A272-A440 HydrophobicContact CB-CB 4.32Å; P436-A440 HydrophobicContact CB-CB 3.81Å; N437-A440 PolarHBondContact O-N 2.83Å; N437-A440 WeakPolarHBondContact OD1-CB 3.39Å; N437-A440 PolarHBondContact OD1-N 2.77Å; L438-A440 PolarHBondContact O-N 3.16Å; A440-D443 PolarHBondContact O-N 3.28Å; A440-I444 WeakPolarHBondContact O-CG1 3.4Å; A440-I444 PolarHBondContact O-N 3.06Å |
| 441 | R | 88.7 | Confident | 87 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 174.8 | -68.4 | -170.4 | -64.1 | -103.2 | 10.6 | 111.8 | P436 N437 L438 D443 I444 I445 V479 | P436-R441 HydrophobicContact CB-CG 3.82Å; P436-R441 HydrophobicContact CG-CG 3.69Å; P436-R441 PolarHBondContact O-NH1 3.22Å; N437-R441 WeakPolarHBondContact O-CG 3.47Å; N437-R441 PolarHBondContact O-N 3.22Å; L438-R441 PolarHBondContact O-N 2.87Å; R441-D443 VanDerWaalsContact C-N 3.29Å; R441-D443 PolarHBondContact O-N 2.69Å; R441-I444 PolarHBondContact O-N 3.14Å; R441-I445 VanDerWaalsContact O-CG1 3.29Å; R441-I445 WeakPolarHBondContact O-CG1 3.48Å; R441-I445 PolarHBondContact O-N 3.08Å; R441-V479 HydrophobicContact CG-CG2 4.13Å |
| 442 | A | 84.1 | Confident | 85.6 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L438 Q439 I445 S446 I460 A462 | L438-A442 PolarHBondContact O-N 3.48Å; Q439-A442 PolarHBondContact O-N 3.48Å; A442-I445 PolarHBondContact O-N 3.16Å; A442-S446 VanDerWaalsContact O-CB 3.31Å; A442-S446 WeakPolarHBondContact O-CB 3.42Å; A442-S446 PolarHBondContact O-N 3.42Å; A442-I460 HydrophobicContact CB-CG2 4.48Å; A442-A462 HydrophobicContact CB-CB 3.82Å |
| 443 | D | 86.4 | Confident | 83.7 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 177.1 | -168 | 20.9 | 0 | 0 | 0 | 111.9 | A272 Q439 A440 R441 I445 S446 R447 | A272-D443 HydrophobicContact CB-CB 4.28Å; Q439-D443 WeakPolarHBondContact O-CB 3.24Å; Q439-D443 PolarHBondContact O-N 3.25Å; A440-D443 PolarHBondContact O-N 3.28Å; R441-D443 VanDerWaalsContact C-N 3.29Å; R441-D443 PolarHBondContact O-N 2.69Å; D443-I445 PolarHBondContact O-N 3.49Å; D443-S446 PolarHBondContact O-N 2.95Å; D443-R447 WeakPolarHBondContact O-CB 3Å; D443-R447 VanDerWaalsContact O-CG 3.24Å; D443-R447 WeakPolarHBondContact O-CG 3.45Å; D443-R447 PolarHBondContact O-N 3.45Å; D443-R447 IonicContact OD1-CZ 2.93Å; D443-R447 IonicContact OD1-NE 2.82Å; D443-R447 PolarHBondContact OD1-NE 3.12Å; D443-R447 IonicContact OD1-NH2 3.51Å; D443-R447 PolarHBondContact OD1-NH2 3.48Å; D443-R447 IonicContact OD2-CZ 3.03Å; D443-R447 IonicContact OD2-NE 3.48Å; D443-R447 PolarHBondContact OD2-NE 3.44Å; D443-R447 IonicContact OD2-NH1 3.23Å; D443-R447 IonicContact OD2-NH2 2.66Å; D443-R447 PolarHBondContact OD2-NH2 2.71Å |
| 444 | I | 88.2 | Confident | 81.9 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.5 | -51.2 | 173.4 | -67.4 | 163.7 | 0 | 0 | 0 | 110.5 | A272 P436 A440 R441 S446 R447 L448 V479 | A272-I444 HydrophobicContact CB-CD1 4.05Å; A272-I444 HydrophobicContact CB-CG1 3.42Å; A272-I444 VanDerWaalsContact CB-CG1 3.42Å; P436-I444 HydrophobicContact CB-CD1 4.26Å; A440-I444 WeakPolarHBondContact O-CG1 3.4Å; A440-I444 PolarHBondContact O-N 3.06Å; R441-I444 PolarHBondContact O-N 3.14Å; I444-S446 PolarHBondContact O-N 3.38Å; I444-R447 PolarHBondContact O-N 2.67Å; I444-L448 HydrophobicContact CG2-CD1 3.71Å; I444-L448 HydrophobicContact CG2-CG 4.31Å; I444-L448 WeakPolarHBondContact O-CB 3.21Å; I444-L448 VanDerWaalsContact O-CG 3.28Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 2.87Å; I444-V479 HydrophobicContact CB-CG1 4.25Å; I444-V479 HydrophobicContact CG2-CB 4.28Å; I444-V479 HydrophobicContact CG2-CG1 3.73Å |
| 445 | I | 85.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | -179.8 | -66.5 | 166.3 | 0 | 0 | 0 | 110.2 | R441 A442 D443 R447 L448 L449 W471 V479 F513 | R441-I445 VanDerWaalsContact O-CG1 3.29Å; R441-I445 WeakPolarHBondContact O-CG1 3.48Å; R441-I445 PolarHBondContact O-N 3.08Å; A442-I445 PolarHBondContact O-N 3.16Å; D443-I445 PolarHBondContact O-N 3.49Å; I445-R447 VanDerWaalsContact C-N 3.35Å; I445-R447 PolarHBondContact O-N 3.11Å; I445-L448 PolarHBondContact O-N 3.48Å; I445-L449 HydrophobicContact CG2-CD1 3.67Å; I445-L449 HydrophobicContact CG2-CG 4.21Å; I445-L449 WeakPolarHBondContact O-CB 3.5Å; I445-L449 VanDerWaalsContact O-CG 3.25Å; I445-L449 WeakPolarHBondContact O-CG 3.4Å; I445-L449 PolarHBondContact O-N 3.29Å; I445-W471 HydrophobicContact CD1-CH2 4.05Å; I445-W471 HydrophobicContact CD1-CZ2 3.87Å; I445-V479 HydrophobicContact CD1-CG1 4.16Å; I445-V479 HydrophobicContact CG1-CG1 3.55Å; I445-F513 HydrophobicContact CG2-CZ 4.43Å |
| 446 | S | 83.6 | Confident | 78.2 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 180 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | A442 D443 I444 L449 H450 | A442-S446 VanDerWaalsContact O-CB 3.31Å; A442-S446 WeakPolarHBondContact O-CB 3.42Å; A442-S446 PolarHBondContact O-N 3.42Å; D443-S446 PolarHBondContact O-N 2.95Å; I444-S446 PolarHBondContact O-N 3.38Å; S446-L449 PolarHBondContact O-N 3.07Å; S446-H450 VanDerWaalsContact O-CB 3.27Å; S446-H450 WeakPolarHBondContact O-CB 3.45Å; S446-H450 PolarHBondContact O-N 3.01Å |
| 447 | R | 84.2 | Confident | 76.3 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 179.8 | -68 | 169.3 | -170.3 | -161.4 | -9.4 | 112.5 | D269 D270 D443 I444 I445 L449 H450 N451 | D269-R447 PolarHBondContact O-NH1 3.1Å; D269-R447 PolarHBondContact O-NH2 2.96Å; D270-R447 PolarHBondContact O-NH1 3.03Å; D443-R447 WeakPolarHBondContact O-CB 3Å; D443-R447 VanDerWaalsContact O-CG 3.24Å; D443-R447 WeakPolarHBondContact O-CG 3.45Å; D443-R447 PolarHBondContact O-N 3.45Å; D443-R447 IonicContact OD1-CZ 2.93Å; D443-R447 IonicContact OD1-NE 2.82Å; D443-R447 PolarHBondContact OD1-NE 3.12Å; D443-R447 IonicContact OD1-NH2 3.51Å; D443-R447 PolarHBondContact OD1-NH2 3.48Å; D443-R447 IonicContact OD2-CZ 3.03Å; D443-R447 IonicContact OD2-NE 3.48Å; D443-R447 PolarHBondContact OD2-NE 3.44Å; D443-R447 IonicContact OD2-NH1 3.23Å; D443-R447 IonicContact OD2-NH2 2.66Å; D443-R447 PolarHBondContact OD2-NH2 2.71Å; I444-R447 PolarHBondContact O-N 2.67Å; I445-R447 VanDerWaalsContact C-N 3.35Å; I445-R447 PolarHBondContact O-N 3.11Å; R447-L449 VanDerWaalsContact C-N 3.31Å; R447-L449 PolarHBondContact O-N 3.35Å; R447-H450 PolarHBondContact O-N 3.45Å; R447-N451 WeakPolarHBondContact O-CB 3.39Å; R447-N451 VanDerWaalsContact O-CG 3.31Å; R447-N451 PolarHBondContact O-N 3.49Å |
| 448 | L | 85.1 | Confident | 74.6 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 178.4 | -71.8 | 176.1 | 0 | 0 | 0 | 112.1 | I444 I445 N452 A480 C483 | I444-L448 HydrophobicContact CG2-CD1 3.71Å; I444-L448 HydrophobicContact CG2-CG 4.31Å; I444-L448 WeakPolarHBondContact O-CB 3.21Å; I444-L448 VanDerWaalsContact O-CG 3.28Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 2.87Å; I445-L448 PolarHBondContact O-N 3.48Å; L448-N452 PolarHBondContact O-ND2 3.16Å; L448-A480 HydrophobicContact CD1-CB 3.8Å; L448-C483 HydrophobicContact CB-CB 4.46Å; L448-C483 HydrophobicContact CD1-CB 4.02Å |
| 449 | L | 80.6 | Confident | 73 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.8 | -41.4 | 177.2 | -69.4 | 179.8 | 0 | 0 | 0 | 112.1 | I445 S446 R447 N451 N452 V455 L458 I508 F513 | I445-L449 HydrophobicContact CG2-CD1 3.67Å; I445-L449 HydrophobicContact CG2-CG 4.21Å; I445-L449 WeakPolarHBondContact O-CB 3.5Å; I445-L449 VanDerWaalsContact O-CG 3.25Å; I445-L449 WeakPolarHBondContact O-CG 3.4Å; I445-L449 PolarHBondContact O-N 3.29Å; S446-L449 PolarHBondContact O-N 3.07Å; R447-L449 VanDerWaalsContact C-N 3.31Å; R447-L449 PolarHBondContact O-N 3.35Å; L449-N451 PolarHBondContact O-N 3.02Å; L449-N452 PolarHBondContact O-N 2.99Å; L449-V455 HydrophobicContact CB-CG2 3.97Å; L449-V455 HydrophobicContact CD1-CG2 4.26Å; L449-V455 HydrophobicContact CD2-CG2 3.77Å; L449-V455 HydrophobicContact CG-CG2 4.2Å; L449-L458 HydrophobicContact CD1-CD1 3.79Å; L449-I508 HydrophobicContact CD2-CD1 4.05Å; L449-F513 HydrophobicContact CD1-CE2 4.29Å; L449-F513 HydrophobicContact CD1-CZ 4.06Å; L449-F513 HydrophobicContact CD2-CE2 4.36Å; L449-F513 HydrophobicContact CD2-CZ 4.02Å; L449-F513 HydrophobicContact CG-CZ 4.43Å |
| 450 | H | 78.2 | Confident | 71.5 | Confident | 139 Ų | 139 | 71.8 Ų | 71.8 | 64% | 0.644 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | -179.8 | -169.8 | -78.9 | 0 | 0 | 0 | 112.2 | S446 R447 N452 | S446-H450 VanDerWaalsContact O-CB 3.27Å; S446-H450 WeakPolarHBondContact O-CB 3.45Å; S446-H450 PolarHBondContact O-N 3.01Å; R447-H450 PolarHBondContact O-N 3.45Å; H450-N452 PolarHBondContact O-N 3.12Å |
| 451 | N | 69.1 | Low | 69.8 | Low | 115 Ų | 115 | 72.8 Ų | 72.8 | 62% | 0.615 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.4 | -19.8 | -179.8 | -74.3 | -10.6 | 0 | 0 | 0 | 113.8 | R447 L449 | R447-N451 WeakPolarHBondContact O-CB 3.39Å; R447-N451 VanDerWaalsContact O-CG 3.31Å; R447-N451 PolarHBondContact O-N 3.49Å; L449-N451 PolarHBondContact O-N 3.02Å |
| 452 | N | 64.4 | Low | 67.8 | Low | 103 Ų | 103 | 72.8 Ų | 72.8 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.1 | -174.6 | -71 | -44.8 | 0 | 0 | 0 | 114 | L448 L449 H450 M454 | L448-N452 PolarHBondContact O-ND2 3.16Å; L449-N452 PolarHBondContact O-N 2.99Å; H450-N452 PolarHBondContact O-N 3.12Å; N452-M454 VanDerWaalsContact O-CG 3.26Å; N452-M454 WeakPolarHBondContact O-CG 3.38Å; N452-M454 PolarHBondContact O-N 3.06Å |
| 453 | A | 57.6 | Low | 66.1 | Low | 91 Ų | 91 | 79.5 Ų | 79.5 | 75% | 0.752 | 42% | 0.415 | S | S | * | . | trans | 54.5 | 7.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | V455 | A453-V455 VanDerWaalsContact C-N 3.35Å; A453-V455 PolarHBondContact O-N 2.99Å | ||
| 454 | M | 57.9 | Low | 64.2 | Low | 89 Ų | 89 | 79.2 Ų | 79.2 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | trans | -91.5 | 18 | -173 | -66.8 | -52.6 | 157.9 | 0 | 0 | 114.5 | N452 I508 | N452-M454 VanDerWaalsContact O-CG 3.26Å; N452-M454 WeakPolarHBondContact O-CG 3.38Å; N452-M454 PolarHBondContact O-N 3.06Å; M454-I508 HydrophobicContact CB-CD1 4.1Å; M454-I508 HydrophobicContact CB-CG1 4.31Å; M454-I508 PolarHBondContact O-N 2.98Å | ||
| 455 | V | 58 | Low | 62.2 | Low | 41 Ų | 41 | 82.4 Ų | 82.4 | 25% | 0.248 | 44% | 0.439 | C | S | . | . | trans | -135.9 | 110.9 | -174.4 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | L449 A453 L458 I508 | L449-V455 HydrophobicContact CB-CG2 3.97Å; L449-V455 HydrophobicContact CD1-CG2 4.26Å; L449-V455 HydrophobicContact CD2-CG2 3.77Å; L449-V455 HydrophobicContact CG-CG2 4.2Å; A453-V455 VanDerWaalsContact C-N 3.35Å; A453-V455 PolarHBondContact O-N 2.99Å; V455-L458 HydrophobicContact CB-CD1 4.4Å; V455-L458 HydrophobicContact CG1-CB 3.65Å; V455-L458 HydrophobicContact CG1-CD1 3.63Å; V455-L458 HydrophobicContact CG1-CG 3.58Å; V455-L458 VanDerWaalsContact CG1-N 3.31Å; V455-L458 HydrophobicContact CG2-CD1 3.8Å; V455-I508 HydrophobicContact CG2-CB 4.44Å; V455-I508 HydrophobicContact CG2-CD1 4.42Å | ||
| 456 | R | 50.8 | Low | 60.2 | Low | 227 Ų | 227 | 88 Ų | 88 | 86% | 0.857 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -89 | 105.1 | 157.5 | -70.2 | -174.9 | 177.8 | -179.2 | 1.3 | 107.4 | ||
| 457 | H | 50.8 | Low | 58.8 | Low | 185 Ų | 185 | 86.1 Ų | 86.1 | 86% | 0.856 | 46% | 0.455 | S | S | * | . | trans | 46.8 | 69.1 | 171.3 | -62.8 | -76.9 | 0 | 0 | 0 | 115.6 | P459 | H457-P459 WeakPolarHBondContact O-CD 3.43Š| ||
| 458 | L | 54.3 | Low | 57.5 | Low | 28 Ų | 28 | 85.3 Ų | 85.3 | 15% | 0.147 | 46% | 0.456 | C | S | . | . | trans | -73.2 | 122.6 | 155.8 | -82.6 | 163.9 | 0 | 0 | 0 | 107.4 | L449 V455 I460 I508 F513 | L449-L458 HydrophobicContact CD1-CD1 3.79Å; V455-L458 HydrophobicContact CB-CD1 4.4Å; V455-L458 HydrophobicContact CG1-CB 3.65Å; V455-L458 HydrophobicContact CG1-CD1 3.63Å; V455-L458 HydrophobicContact CG1-CG 3.58Å; V455-L458 VanDerWaalsContact CG1-N 3.31Å; V455-L458 HydrophobicContact CG2-CD1 3.8Å; L458-I460 VanDerWaalsContact C-N 3.28Å; L458-I460 PolarHBondContact O-N 3.43Å; L458-I508 HydrophobicContact CD1-CB 4.39Å; L458-I508 HydrophobicContact CD1-CG2 4.4Å; L458-F513 HydrophobicContact CD1-CD2 4.47Å; L458-F513 HydrophobicContact CD1-CE2 3.85Å | ||
| 459 | P | 51.5 | Low | 56.4 | Low | 105 Ų | 105 | 89.9 Ų | 89.9 | 68% | 0.682 | 48% | 0.476 | S | S | * | . | trans | -59.9 | 102.2 | 161.9 | 24.6 | -29.2 | 0 | 0 | 0 | 106.1 | H457 F461 | H457-P459 WeakPolarHBondContact O-CD 3.43Å; P459-F461 PolarHBondContact O-N 3.33Å | ||
| 460 | I | 52.8 | Low | 55.9 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | trans | -54.3 | 127.9 | -176.3 | -59.9 | 166.7 | 0 | 0 | 0 | 106.2 | A442 L458 A462 | A442-I460 HydrophobicContact CB-CG2 4.48Å; L458-I460 VanDerWaalsContact C-N 3.28Å; L458-I460 PolarHBondContact O-N 3.43Å; I460-A462 HydrophobicContact CG2-CB 4.07Å; I460-A462 PolarHBondContact O-N 2.99Å | ||
| 461 | F | 53.7 | Low | 55.9 | Low | 25 Ų | 25 | 86 Ų | 86 | 11% | 0.11 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -50 | -3.8 | 179.2 | -77.4 | -77.8 | 0 | 0 | 0 | 115.5 | P459 N463 C464 A467 E510 F513 | P459-F461 PolarHBondContact O-N 3.33Å; F461-N463 PolarHBondContact O-N 3.19Å; F461-C464 HydrophobicContact CD1-CB 4.4Å; F461-C464 PolarHBondContact O-N 2.9Å; F461-C464 VanDerWaalsContact O-N 3.12Å; F461-A467 HydrophobicContact CB-CB 3.74Å; F461-A467 HydrophobicContact CD1-CB 3.65Å; F461-A467 HydrophobicContact CG-CB 4.08Å; F461-E510 HydrophobicContact CE1-CG 3.75Å; F461-E510 HydrophobicContact CE2-CG 4.34Å; F461-E510 HydrophobicContact CZ-CG 3.45Å; F461-E510 VanDerWaalsContact CZ-CG 3.45Å; F461-F513 HydrophobicContact CE2-CB 3.61Å; F461-F513 HydrophobicContact CE2-CD1 4.09Å; F461-F513 AromaticContact CE2-CD2 3.99Å; F461-F513 HydrophobicContact CE2-CD2 3.99Å; F461-F513 AromaticContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CZ-CB 3.68Å; F461-F513 HydrophobicContact CZ-CG 4.23Å |
| 462 | A | 48.3 | Very low | 56.5 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -46.6 | -34.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A442 I460 | A442-A462 HydrophobicContact CB-CB 3.82Å; I460-A462 HydrophobicContact CG2-CB 4.07Å; I460-A462 PolarHBondContact O-N 2.99Å |
| 463 | N | 47.9 | Very low | 57.5 | Low | 152 Ų | 152 | 80.6 Ų | 80.6 | 81% | 0.813 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -109.1 | 5.4 | -176.8 | -66.9 | -17.7 | 0 | 0 | 0 | 114.7 | F461 P465 | F461-N463 PolarHBondContact O-N 3.19Å; N463-P465 WeakPolarHBondContact O-CD 3.28Å |
| 464 | C | 46.8 | Very low | 59.1 | Low | 42 Ų | 42 | 76.8 Ų | 76.8 | 28% | 0.284 | 40% | 0.4 | S | S | . | . | trans | -92.7 | 114.8 | 179.4 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | F461 L466 A467 N468 | F461-C464 HydrophobicContact CD1-CB 4.4Å; F461-C464 PolarHBondContact O-N 2.9Å; F461-C464 VanDerWaalsContact O-N 3.12Å; C464-L466 PolarHBondContact O-N 3.39Å; C464-L466 VanDerWaalsContact O-N 3.12Å; C464-A467 HydrophobicContact CB-CB 4.14Å; C464-A467 VanDerWaalsContact O-CB 3.31Å; C464-A467 WeakPolarHBondContact O-CB 3.5Å; C464-A467 PolarHBondContact O-N 3.05Å; C464-N468 PolarHBondContact O-N 3.4Å; C464-N468 PolarHBondContact O-OD1 3.15Å | ||
| 465 | P | 45.2 | Very low | 60.8 | Low | 97 Ų | 97 | 72.7 Ų | 72.7 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56.6 | -31 | 178.1 | -22.8 | 32.6 | 0 | 0 | 0 | 112.9 | N463 N468 | N463-P465 WeakPolarHBondContact O-CD 3.28Å; P465-N468 WeakPolarHBondContact O-CB 2.99Å; P465-N468 PolarHBondContact O-N 3.43Å |
| 466 | L | 42.8 | Very low | 62.4 | Low | 120 Ų | 120 | 71.5 Ų | 71.5 | 63% | 0.628 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.1 | -34.9 | 176.7 | -119.2 | 77.9 | 0 | 0 | 0 | 112.3 | C464 N468 V470 | C464-L466 PolarHBondContact O-N 3.39Å; C464-L466 VanDerWaalsContact O-N 3.12Å; L466-N468 VanDerWaalsContact C-N 3.3Å; L466-N468 PolarHBondContact O-N 2.98Å; L466-V470 WeakPolarHBondContact O-CG2 3.31Å; L466-V470 PolarHBondContact O-N 3.22Å |
| 467 | A | 54.3 | Low | 64.4 | Low | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F461 C464 Q469 V470 W471 | F461-A467 HydrophobicContact CB-CB 3.74Å; F461-A467 HydrophobicContact CD1-CB 3.65Å; F461-A467 HydrophobicContact CG-CB 4.08Å; C464-A467 HydrophobicContact CB-CB 4.14Å; C464-A467 VanDerWaalsContact O-CB 3.31Å; C464-A467 WeakPolarHBondContact O-CB 3.5Å; C464-A467 PolarHBondContact O-N 3.05Å; A467-Q469 PolarHBondContact O-N 3.31Å; A467-Q469 VanDerWaalsContact O-N 3.11Å; A467-V470 PolarHBondContact O-N 3Å; A467-W471 PolarHBondContact O-N 2.7Å; A467-W471 VanDerWaalsContact O-N 3.1Å |
| 468 | N | 57.9 | Low | 66.4 | Low | 55 Ų | 55 | 54.6 Ų | 54.6 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56 | -36.9 | -173.8 | -62 | -9.3 | 0 | 0 | 0 | 113.2 | L438 C464 P465 L466 I472 | L438-N468 HydrophobicContact CD1-CB 4.46Å; L438-N468 WeakPolarHBondContact CD1-OD1 3.3Å; L438-N468 VanDerWaalsContact CD2-OD1 3.24Å; L438-N468 WeakPolarHBondContact CD2-OD1 3.19Å; C464-N468 PolarHBondContact O-N 3.4Å; C464-N468 PolarHBondContact O-OD1 3.15Å; P465-N468 WeakPolarHBondContact O-CB 2.99Å; P465-N468 PolarHBondContact O-N 3.43Å; L466-N468 VanDerWaalsContact C-N 3.3Å; L466-N468 PolarHBondContact O-N 2.98Å; N468-I472 WeakPolarHBondContact O-CG1 3.27Å |
| 469 | Q | 62.1 | Low | 68.2 | Low | 149 Ų | 149 | 53.2 Ų | 53.2 | 70% | 0.696 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -80.2 | -35.8 | 178 | -68.1 | -177.4 | -11.5 | 0 | 0 | 112.9 | A467 W471 I472 | A467-Q469 PolarHBondContact O-N 3.31Å; A467-Q469 VanDerWaalsContact O-N 3.11Å; Q469-W471 VanDerWaalsContact C-N 3.35Å; Q469-W471 PolarHBondContact O-N 3.11Å; Q469-I472 WeakPolarHBondContact O-CG1 3.48Å |
| 470 | V | 70.5 | Confident | 70 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.1 | -29.2 | -175.3 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | L466 A467 Y474 L517 | L466-V470 WeakPolarHBondContact O-CG2 3.31Å; L466-V470 PolarHBondContact O-N 3.22Å; A467-V470 PolarHBondContact O-N 3Å; V470-Y474 WeakPolarHBondContact O-CE2 3.38Å; V470-L517 HydrophobicContact CG1-CB 4.23Å; V470-L517 HydrophobicContact CG1-CD1 3.75Å; V470-L517 HydrophobicContact CG1-CD2 4.09Å; V470-L517 HydrophobicContact CG1-CG 4.23Å |
| 471 | W | 78 | Confident | 71.9 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 6.9 | -179.2 | -62.4 | 107.6 | 0 | 0 | 0 | 114.6 | I445 A467 Q469 G473 Y474 V479 V482 F513 L517 | I445-W471 HydrophobicContact CD1-CH2 4.05Å; I445-W471 HydrophobicContact CD1-CZ2 3.87Å; A467-W471 PolarHBondContact O-N 2.7Å; A467-W471 VanDerWaalsContact O-N 3.1Å; Q469-W471 VanDerWaalsContact C-N 3.35Å; Q469-W471 PolarHBondContact O-N 3.11Å; W471-G473 PolarHBondContact O-N 3.19Å; W471-Y474 AromaticContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CE1 4.49Å; W471-Y474 HydrophobicContact CE3-CG 4.05Å; W471-Y474 HydrophobicContact CZ3-CD1 4.24Å; W471-Y474 PolarHBondContact O-N 2.84Å; W471-V479 HydrophobicContact CE3-CG2 4.08Å; W471-V479 HydrophobicContact CZ3-CB 4.36Å; W471-V479 HydrophobicContact CZ3-CG1 4.24Å; W471-V479 HydrophobicContact CZ3-CG2 4.04Å; W471-V482 HydrophobicContact CH2-CB 3.72Å; W471-V482 HydrophobicContact CH2-CG1 3.35Å; W471-V482 HydrophobicContact CH2-CG2 4.19Å; W471-V482 HydrophobicContact CZ2-CG1 4.24Å; W471-V482 HydrophobicContact CZ3-CB 3.75Å; W471-V482 HydrophobicContact CZ3-CG1 3.84Å; W471-V482 HydrophobicContact CZ3-CG2 3.79Å; W471-F513 HydrophobicContact CH2-CD1 4.46Å; W471-F513 HydrophobicContact CZ2-CD1 4.35Å; W471-L517 HydrophobicContact CD2-CD2 4.09Å; W471-L517 HydrophobicContact CE3-CD2 3.96Å; W471-L517 HydrophobicContact CH2-CD2 3.94Å; W471-L517 HydrophobicContact CZ2-CD1 4.03Å; W471-L517 HydrophobicContact CZ2-CD2 4.01Å; W471-L517 HydrophobicContact CZ2-CG 4.36Å; W471-L517 HydrophobicContact CZ3-CD2 3.89Å |
| 472 | I | 80.9 | Confident | 73.7 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 129.7 | 179.8 | -63.7 | 173.3 | 0 | 0 | 0 | 109.3 | N468 Q469 Y474 L526 | N468-I472 WeakPolarHBondContact O-CG1 3.27Å; Q469-I472 WeakPolarHBondContact O-CG1 3.48Å; I472-Y474 PolarHBondContact O-N 2.88Å; I472-L526 HydrophobicContact CG2-CD1 4.06Å; I472-L526 HydrophobicContact CG2-CD2 4.32Å |
| 473 | G | 85.5 | Confident | 75.7 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -5.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | W471 S475 S522 | W471-G473 PolarHBondContact O-N 3.19Å; G473-S475 PolarHBondContact O-N 3.47Å; G473-S522 PolarHBondContact O-OG 3.18Å |
| 474 | Y | 90.7 | Very high | 77.7 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | trans | -73.4 | 128.7 | 179.9 | -78.2 | -113.7 | 0 | 0 | 0 | 111.2 | P436 V470 W471 I472 D478 V482 L517 I520 | P436-Y474 WeakPolarHBondContact CD-O 3.37Å; V470-Y474 WeakPolarHBondContact O-CE2 3.38Å; W471-Y474 AromaticContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CE1 4.49Å; W471-Y474 HydrophobicContact CE3-CG 4.05Å; W471-Y474 HydrophobicContact CZ3-CD1 4.24Å; W471-Y474 PolarHBondContact O-N 2.84Å; I472-Y474 PolarHBondContact O-N 2.88Å; Y474-D478 HydrophobicContact CD1-CB 3.56Å; Y474-D478 HydrophobicContact CE1-CB 4.36Å; Y474-D478 HydrophobicContact CG-CB 4.18Å; Y474-V482 HydrophobicContact CD1-CG2 4.09Å; Y474-V482 HydrophobicContact CE1-CG2 3.66Å; Y474-L517 HydrophobicContact CE1-CD2 4.25Å; Y474-I520 HydrophobicContact CE1-CG2 4.49Å; Y474-I520 PolarHBondContact OH-O 2.66Å | ||
| 475 | S | 93.4 | Very high | 79.9 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | trans | -75.1 | 169.2 | 169.9 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | P311 G473 A477 D478 V479 | P311-S475 WeakPolarHBondContact O-CB 3.33Å; G473-S475 PolarHBondContact O-N 3.47Å; S475-A477 PolarHBondContact O-N 3.32Å; S475-D478 VanDerWaalsContact CB-OD2 3.31Å; S475-D478 WeakPolarHBondContact CB-OD2 3.31Å; S475-D478 PolarHBondContact N-OD2 3.17Å; S475-D478 PolarHBondContact O-N 3.37Å; S475-D478 VanDerWaalsContact O-N 3.16Å; S475-D478 PolarHBondContact OG-N 3.41Å; S475-D478 VanDerWaalsContact OG-N 3.16Å; S475-D478 PolarHBondContact OG-OD2 3.45Å; S475-V479 WeakPolarHBondContact O-CG2 3.29Å; S475-V479 PolarHBondContact O-N 2.93Å | ||
| 476 | G | 92.2 | Very high | 81.9 | Confident | 17 Ų | 17 | 38 Ų | 38 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -35.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | G312 A480 | G312-G476 WeakPolarHBondContact O-CA 3.42Å; G312-G476 PolarHBondContact O-N 3.27Å; G476-A480 PolarHBondContact O-N 3.46Å |
| 477 | A | 92.9 | Very high | 84.1 | Confident | 48 Ų | 48 | 34 Ų | 34 | 40% | 0.397 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G312 S475 V479 A480 E481 | G312-A477 PolarHBondContact O-N 3.44Å; S475-A477 PolarHBondContact O-N 3.32Å; A477-V479 VanDerWaalsContact C-N 3.34Å; A477-V479 PolarHBondContact O-N 3.29Å; A477-A480 PolarHBondContact O-N 2.97Å; A477-E481 PolarHBondContact O-N 3.35Å |
| 478 | D | 93.4 | Very high | 85.8 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.3 | -57.6 | -47.9 | 0 | 0 | 0 | 111.2 | Y474 S475 A480 E481 V482 T523 | Y474-D478 HydrophobicContact CD1-CB 3.56Å; Y474-D478 HydrophobicContact CE1-CB 4.36Å; Y474-D478 HydrophobicContact CG-CB 4.18Å; S475-D478 VanDerWaalsContact CB-OD2 3.31Å; S475-D478 WeakPolarHBondContact CB-OD2 3.31Å; S475-D478 PolarHBondContact N-OD2 3.17Å; S475-D478 PolarHBondContact O-N 3.37Å; S475-D478 VanDerWaalsContact O-N 3.16Å; S475-D478 PolarHBondContact OG-N 3.41Å; S475-D478 VanDerWaalsContact OG-N 3.16Å; S475-D478 PolarHBondContact OG-OD2 3.45Å; D478-A480 VanDerWaalsContact C-N 3.33Å; D478-A480 PolarHBondContact O-N 2.95Å; D478-E481 WeakPolarHBondContact O-CB 3.5Å; D478-E481 PolarHBondContact O-N 2.66Å; D478-V482 WeakPolarHBondContact O-CG2 3.41Å; D478-V482 PolarHBondContact O-N 3.29Å; D478-T523 VanDerWaalsContact OD1-CB 3.28Å; D478-T523 WeakPolarHBondContact OD1-CB 3.26Å; D478-T523 PolarHBondContact OD1-N 3.42Å; D478-T523 PolarHBondContact OD1-OG1 3.46Å; D478-T523 PolarHBondContact OD2-N 2.65Å |
| 479 | V | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.1 | 176 | 0 | 0 | 0 | 0 | 110.9 | R441 I444 I445 W471 S475 A477 E481 V482 C483 | R441-V479 HydrophobicContact CG-CG2 4.13Å; I444-V479 HydrophobicContact CB-CG1 4.25Å; I444-V479 HydrophobicContact CG2-CB 4.28Å; I444-V479 HydrophobicContact CG2-CG1 3.73Å; I445-V479 HydrophobicContact CD1-CG1 4.16Å; I445-V479 HydrophobicContact CG1-CG1 3.55Å; W471-V479 HydrophobicContact CE3-CG2 4.08Å; W471-V479 HydrophobicContact CZ3-CB 4.36Å; W471-V479 HydrophobicContact CZ3-CG1 4.24Å; W471-V479 HydrophobicContact CZ3-CG2 4.04Å; S475-V479 WeakPolarHBondContact O-CG2 3.29Å; S475-V479 PolarHBondContact O-N 2.93Å; A477-V479 VanDerWaalsContact C-N 3.34Å; A477-V479 PolarHBondContact O-N 3.29Å; V479-E481 VanDerWaalsContact C-N 3.3Å; V479-E481 PolarHBondContact O-N 2.64Å; V479-V482 PolarHBondContact O-N 3.21Å; V479-C483 PolarHBondContact O-N 3.48Å; V479-C483 PolarHBondContact O-SG 2.93Å; V479-C483 VanDerWaalsContact O-SG 3.41Å |
| 480 | A | 90.8 | Very high | 88.5 | Confident | 23 Ų | 23 | 28.5 Ų | 28.5 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L448 G476 A477 D478 C483 R484 | L448-A480 HydrophobicContact CD1-CB 3.8Å; G476-A480 PolarHBondContact O-N 3.46Å; A477-A480 PolarHBondContact O-N 2.97Å; D478-A480 VanDerWaalsContact C-N 3.33Å; D478-A480 PolarHBondContact O-N 2.95Å; A480-C483 PolarHBondContact O-N 3.25Å; A480-R484 PolarHBondContact O-N 3.31Å |
| 481 | E | 92.8 | Very high | 89.4 | Confident | 76 Ų | 76 | 28.3 Ų | 28.3 | 36% | 0.355 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 173.5 | -167.8 | 65.4 | -125.1 | 0 | 0 | 111.9 | A477 D478 V479 C483 R484 E485 I520 | A477-E481 PolarHBondContact O-N 3.35Å; D478-E481 WeakPolarHBondContact O-CB 3.5Å; D478-E481 PolarHBondContact O-N 2.66Å; V479-E481 VanDerWaalsContact C-N 3.3Å; V479-E481 PolarHBondContact O-N 2.64Å; E481-C483 VanDerWaalsContact C-N 3.33Å; E481-C483 PolarHBondContact O-N 2.8Å; E481-R484 PolarHBondContact O-N 3.03Å; E481-R484 IonicContact OE1-NH1 3.87Å; E481-R484 PolarHBondContact OE1-NH1 3.41Å; E481-R484 IonicContact OE2-CZ 3.55Å; E481-R484 IonicContact OE2-NH1 2.81Å; E481-R484 PolarHBondContact OE2-NH1 3.43Å; E481-E485 WeakPolarHBondContact O-CB 3.31Å; E481-E485 PolarHBondContact O-N 2.91Å; E481-I520 HydrophobicContact CB-CG2 4.19Å; E481-I520 HydrophobicContact CG-CD1 3.83Å; E481-I520 HydrophobicContact CG-CG1 4.12Å; E481-I520 HydrophobicContact CG-CG2 3.95Å |
| 482 | V | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | W471 Y474 D478 V479 R484 E485 A486 F513 A516 L517 I520 | W471-V482 HydrophobicContact CH2-CB 3.72Å; W471-V482 HydrophobicContact CH2-CG1 3.35Å; W471-V482 HydrophobicContact CH2-CG2 4.19Å; W471-V482 HydrophobicContact CZ2-CG1 4.24Å; W471-V482 HydrophobicContact CZ3-CB 3.75Å; W471-V482 HydrophobicContact CZ3-CG1 3.84Å; W471-V482 HydrophobicContact CZ3-CG2 3.79Å; Y474-V482 HydrophobicContact CD1-CG2 4.09Å; Y474-V482 HydrophobicContact CE1-CG2 3.66Å; D478-V482 WeakPolarHBondContact O-CG2 3.41Å; D478-V482 PolarHBondContact O-N 3.29Å; V479-V482 PolarHBondContact O-N 3.21Å; V482-R484 VanDerWaalsContact C-N 3.35Å; V482-R484 PolarHBondContact O-N 3.44Å; V482-E485 PolarHBondContact O-N 2.91Å; V482-A486 VanDerWaalsContact O-CB 3.25Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-F513 HydrophobicContact CG1-CD1 4.14Å; V482-A516 HydrophobicContact CG1-CB 3.94Å; V482-L517 HydrophobicContact CG1-CD2 3.9Å; V482-L517 HydrophobicContact CG1-CG 3.98Å; V482-L517 HydrophobicContact CG2-CD2 4.02Å; V482-I520 HydrophobicContact CG2-CB 3.85Å; V482-I520 HydrophobicContact CG2-CG1 4.48Å; V482-I520 HydrophobicContact CG2-CG2 3.78Å |
| 483 | C | 89.1 | Confident | 90.2 | Very high | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.054 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.2 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | L448 V479 A480 E481 A486 A487 | L448-C483 HydrophobicContact CB-CB 4.46Å; L448-C483 HydrophobicContact CD1-CB 4.02Å; V479-C483 PolarHBondContact O-N 3.48Å; V479-C483 PolarHBondContact O-SG 2.93Å; V479-C483 VanDerWaalsContact O-SG 3.41Å; A480-C483 PolarHBondContact O-N 3.25Å; E481-C483 VanDerWaalsContact C-N 3.33Å; E481-C483 PolarHBondContact O-N 2.8Å; C483-A486 PolarHBondContact O-N 3.33Å; C483-A487 WeakPolarHBondContact O-CB 3.48Å; C483-A487 PolarHBondContact O-N 3.04Å |
| 484 | R | 91 | Very high | 90.4 | Very high | 75 Ų | 75 | 36.3 Ų | 36.3 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 176.8 | -170 | -172.9 | -49.8 | 93.3 | 15.9 | 111.5 | Y186 A480 E481 V482 A486 A487 L488 | Y186-R484 VanDerWaalsContact OH-CZ 3.24Å; Y186-R484 PolarHBondContact OH-NE 2.75Å; Y186-R484 PolarHBondContact OH-NH2 2.97Å; A480-R484 PolarHBondContact O-N 3.31Å; E481-R484 PolarHBondContact O-N 3.03Å; E481-R484 IonicContact OE1-NH1 3.87Å; E481-R484 PolarHBondContact OE1-NH1 3.41Å; E481-R484 IonicContact OE2-CZ 3.55Å; E481-R484 IonicContact OE2-NH1 2.81Å; E481-R484 PolarHBondContact OE2-NH1 3.43Å; V482-R484 VanDerWaalsContact C-N 3.35Å; V482-R484 PolarHBondContact O-N 3.44Å; R484-A486 VanDerWaalsContact C-N 3.33Å; R484-A486 PolarHBondContact O-N 3.46Å; R484-A487 WeakPolarHBondContact O-CB 3.34Å; R484-A487 PolarHBondContact O-N 2.8Å; R484-L488 WeakPolarHBondContact O-CG 3.24Å; R484-L488 PolarHBondContact O-N 3.05Å |
| 485 | E | 91.9 | Very high | 90 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 178.3 | -177.4 | 65 | -172.9 | 0 | 0 | 111 | E481 V482 A487 L488 F489 R492 A516 R519 I520 | E481-E485 WeakPolarHBondContact O-CB 3.31Å; E481-E485 PolarHBondContact O-N 2.91Å; V482-E485 PolarHBondContact O-N 2.91Å; E485-A487 VanDerWaalsContact C-N 3.35Å; E485-A487 PolarHBondContact O-N 3.48Å; E485-L488 PolarHBondContact O-N 2.99Å; E485-F489 HydrophobicContact CG-CE2 4.05Å; E485-F489 WeakPolarHBondContact O-CD2 3.48Å; E485-R492 IonicContact OE1-CZ 2.75Å; E485-R492 VanDerWaalsContact OE1-CZ 3.23Å; E485-R492 IonicContact OE1-NH1 3.29Å; E485-R492 PolarHBondContact OE1-NH1 2.98Å; E485-R492 IonicContact OE1-NH2 2.65Å; E485-R492 PolarHBondContact OE1-NH2 3.4Å; E485-R492 IonicContact OE2-CZ 3.84Å; E485-R492 IonicContact OE2-NH1 2.94Å; E485-R492 PolarHBondContact OE2-NH1 2.98Å; E485-R492 IonicContact OE2-NH2 2.8Å; E485-R492 PolarHBondContact OE2-NH2 2.68Å; E485-A516 HydrophobicContact CB-CB 4.02Å; E485-A516 HydrophobicContact CG-CB 3.86Å; E485-R519 WeakPolarHBondContact OE1-CD 3.5Å; E485-R519 IonicContact OE1-CZ 2.91Å; E485-R519 IonicContact OE1-NE 3.99Å; E485-R519 IonicContact OE1-NH1 3.52Å; E485-R519 PolarHBondContact OE1-NH1 2.78Å; E485-I520 HydrophobicContact CB-CD1 4.42Å; E485-I520 HydrophobicContact CB-CG1 3.97Å; E485-I520 HydrophobicContact CG-CD1 4.33Å; E485-I520 HydrophobicContact CG-CG1 3.99Å |
| 486 | A | 88.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | V482 C483 R484 L488 F489 P490 I508 F513 A516 | V482-A486 VanDerWaalsContact O-CB 3.25Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; V482-A486 PolarHBondContact O-N 2.94Å; C483-A486 PolarHBondContact O-N 3.33Å; R484-A486 VanDerWaalsContact C-N 3.33Å; R484-A486 PolarHBondContact O-N 3.46Å; A486-L488 PolarHBondContact O-N 3.42Å; A486-F489 PolarHBondContact O-N 2.91Å; A486-P490 WeakPolarHBondContact O-CD 3.42Å; A486-I508 HydrophobicContact CB-CG2 4.24Å; A486-F513 HydrophobicContact CB-CD1 3.89Å; A486-F513 HydrophobicContact CB-CD2 3.97Å; A486-F513 HydrophobicContact CB-CE1 3.91Å; A486-F513 HydrophobicContact CB-CE2 4Å; A486-F513 HydrophobicContact CB-CG 3.92Å; A486-F513 HydrophobicContact CB-CZ 3.97Å; A486-A516 HydrophobicContact CB-CB 4Å |
| 487 | A | 88.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 50 Ų | 50 | 31% | 0.314 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.1 | -24.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C483 R484 E485 I508 | C483-A487 WeakPolarHBondContact O-CB 3.48Å; C483-A487 PolarHBondContact O-N 3.04Å; R484-A487 WeakPolarHBondContact O-CB 3.34Å; R484-A487 PolarHBondContact O-N 2.8Å; E485-A487 VanDerWaalsContact C-N 3.35Å; E485-A487 PolarHBondContact O-N 3.48Å; A487-I508 HydrophobicContact CB-CD1 3.66Å; A487-I508 HydrophobicContact CB-CG1 4.5Å |
| 488 | L | 90.3 | Very high | 88.8 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -82.7 | -18.5 | 177.1 | -67.4 | 174.5 | 0 | 0 | 0 | 113.5 | R484 E485 A486 I491 R492 | R484-L488 WeakPolarHBondContact O-CG 3.24Å; R484-L488 PolarHBondContact O-N 3.05Å; E485-L488 PolarHBondContact O-N 2.99Å; A486-L488 PolarHBondContact O-N 3.42Å; L488-I491 HydrophobicContact CD2-CD1 4.37Å; L488-I491 PolarHBondContact O-N 3.44Å; L488-R492 VanDerWaalsContact O-CG 3.3Å; L488-R492 WeakPolarHBondContact O-CG 3.31Å; L488-R492 PolarHBondContact O-N 3.12Å |
| 489 | F | 89.3 | Confident | 88.4 | Confident | 21 Ų | 21 | 61 Ų | 61 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -42 | -177.4 | -87.5 | -82.4 | 0 | 0 | 0 | 114.6 | E485 A486 I491 R492 K493 D512 S515 A516 | E485-F489 HydrophobicContact CG-CE2 4.05Å; E485-F489 WeakPolarHBondContact O-CD2 3.48Å; A486-F489 PolarHBondContact O-N 2.91Å; F489-I491 VanDerWaalsContact C-N 3.25Å; F489-I491 PolarHBondContact O-N 3.31Å; F489-R492 PolarHBondContact O-N 3.4Å; F489-K493 WeakPolarHBondContact O-CG 3.44Å; F489-K493 PolarHBondContact O-N 3.02Å; F489-D512 HydrophobicContact CB-CB 3.71Å; F489-D512 VanDerWaalsContact CB-OD1 3.31Å; F489-D512 WeakPolarHBondContact CB-OD1 3.27Å; F489-D512 HydrophobicContact CD2-CB 4.42Å; F489-D512 HydrophobicContact CG-CB 4.25Å; F489-S515 VanDerWaalsContact CZ-C 3.5Å; F489-A516 HydrophobicContact CD2-CB 4.38Å; F489-A516 HydrophobicContact CE2-CB 3.88Å |
| 490 | P | 87.6 | Confident | 88.1 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.8 | -42.1 | 173 | -28.1 | 36 | 0 | 0 | 0 | 112.5 | A486 R492 K493 V505 P506 I508 | A486-P490 WeakPolarHBondContact O-CD 3.42Å; P490-R492 PolarHBondContact O-N 3.35Å; P490-K493 PolarHBondContact O-N 3.35Å; P490-V505 HydrophobicContact CB-CG1 4.5Å; P490-P506 HydrophobicContact CB-CB 4.3Å; P490-P506 VanDerWaalsContact CB-O 3.23Å; P490-P506 WeakPolarHBondContact CB-O 3.32Å; P490-I508 HydrophobicContact CG-CG1 4.33Å |
| 491 | I | 89.3 | Confident | 87.8 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -42 | 178 | -58.1 | 175.8 | 0 | 0 | 0 | 111 | L488 F489 K493 I494 V497 V505 | L488-I491 HydrophobicContact CD2-CD1 4.37Å; L488-I491 PolarHBondContact O-N 3.44Å; F489-I491 VanDerWaalsContact C-N 3.25Å; F489-I491 PolarHBondContact O-N 3.31Å; I491-K493 PolarHBondContact O-N 3.34Å; I491-I494 PolarHBondContact O-N 3.08Å; I491-I494 VanDerWaalsContact O-N 3.12Å; I491-V497 HydrophobicContact CG2-CG1 3.97Å; I491-V497 HydrophobicContact CG2-CG2 4Å; I491-V505 HydrophobicContact CG1-CG1 4.39Å |
| 492 | R | 89.6 | Confident | 87.4 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 41% | 0.408 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.8 | -16.5 | 179.3 | -69.9 | 166.3 | -177.3 | 161.3 | -3.1 | 114.4 | E485 L488 F489 P490 | E485-R492 IonicContact OE1-CZ 2.75Å; E485-R492 VanDerWaalsContact OE1-CZ 3.23Å; E485-R492 IonicContact OE1-NH1 3.29Å; E485-R492 PolarHBondContact OE1-NH1 2.98Å; E485-R492 IonicContact OE1-NH2 2.65Å; E485-R492 PolarHBondContact OE1-NH2 3.4Å; E485-R492 IonicContact OE2-CZ 3.84Å; E485-R492 IonicContact OE2-NH1 2.94Å; E485-R492 PolarHBondContact OE2-NH1 2.98Å; E485-R492 IonicContact OE2-NH2 2.8Å; E485-R492 PolarHBondContact OE2-NH2 2.68Å; L488-R492 VanDerWaalsContact O-CG 3.3Å; L488-R492 WeakPolarHBondContact O-CG 3.31Å; L488-R492 PolarHBondContact O-N 3.12Å; F489-R492 PolarHBondContact O-N 3.4Å; P490-R492 PolarHBondContact O-N 3.35Å |
| 493 | K | 86.9 | Confident | 87 | Confident | 136 Ų | 136 | 78 Ų | 78 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -15.7 | 176.4 | -69.7 | 166.4 | 176.1 | 168.8 | 0 | 112.4 | F489 P490 I491 D512 | F489-K493 WeakPolarHBondContact O-CG 3.44Å; F489-K493 PolarHBondContact O-N 3.02Å; P490-K493 PolarHBondContact O-N 3.35Å; I491-K493 PolarHBondContact O-N 3.34Å; K493-D512 IonicContact NZ-OD1 3.89Å; K493-D512 PolarHBondContact NZ-OD1 3.21Å; K493-D512 IonicContact NZ-OD2 3.95Å |
| 494 | I | 87.9 | Confident | 86.8 | Confident | 34 Ų | 34 | 83.1 Ų | 83.1 | 17% | 0.174 | 43% | 0.433 | C | S | . | . | trans | -85.7 | 125.7 | 179.8 | -63.6 | 159.8 | 0 | 0 | 0 | 108.5 | I491 V497 I500 | I491-I494 PolarHBondContact O-N 3.08Å; I491-I494 VanDerWaalsContact O-N 3.12Å; I494-V497 HydrophobicContact CB-CG2 4.07Å; I494-V497 HydrophobicContact CG2-CG2 4.05Å; I494-I500 HydrophobicContact CD1-CD1 3.47Å; I494-I500 VanDerWaalsContact CD1-CD1 3.47Å; I494-I500 HydrophobicContact CG1-CD1 4.04Å; I494-I500 HydrophobicContact CG2-CD1 4.08Å | ||
| 495 | A | 83 | Confident | 86.4 | Confident | 107 Ų | 107 | 81.6 Ų | 81.6 | 88% | 0.884 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -72.9 | -39.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 496 | E | 83.7 | Confident | 86.1 | Confident | 139 Ų | 139 | 83.7 Ų | 83.7 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | trans | -117.6 | 78.5 | -177.8 | -65.6 | 179.8 | -168.7 | 0 | 0 | 110.3 | E498 S499 | E496-E498 PolarHBondContact O-N 2.84Å; E496-S499 WeakPolarHBondContact CB-OG 3.35Å; E496-S499 PolarHBondContact O-OG 3.33Å; E496-S499 PolarHBondContact OE2-OG 3.4Å | ||
| 497 | V | 84 | Confident | 85.9 | Confident | 73 Ų | 73 | 87.2 Ų | 87.2 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.7 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 112 | I491 I494 | I491-V497 HydrophobicContact CG2-CG1 3.97Å; I491-V497 HydrophobicContact CG2-CG2 4Å; I494-V497 HydrophobicContact CB-CG2 4.07Å; I494-V497 HydrophobicContact CG2-CG2 4.05Å |
| 498 | E | 86.1 | Confident | 85.7 | Confident | 204 Ų | 204 | 86.1 Ų | 86.1 | 95% | 0.953 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27.2 | -178 | -63.1 | -176.9 | 178 | 0 | 0 | 113.8 | E496 | E496-E498 PolarHBondContact O-N 2.84Š|
| 499 | S | 84.1 | Confident | 85.3 | Confident | 82 Ų | 82 | 84.8 Ų | 84.8 | 57% | 0.573 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -103.8 | -4.5 | -173 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | E496 | E496-S499 WeakPolarHBondContact CB-OG 3.35Å; E496-S499 PolarHBondContact O-OG 3.33Å; E496-S499 PolarHBondContact OE2-OG 3.4Å |
| 500 | I | 85.6 | Confident | 84.9 | Confident | 42 Ų | 42 | 87.3 Ų | 87.3 | 22% | 0.215 | 47% | 0.467 | C | S | . | . | trans | -85.1 | 134.8 | -172.6 | -161.1 | 174.6 | 0 | 0 | 0 | 112.3 | I494 Q504 V505 | I494-I500 HydrophobicContact CD1-CD1 3.47Å; I494-I500 VanDerWaalsContact CD1-CD1 3.47Å; I494-I500 HydrophobicContact CG1-CD1 4.04Å; I494-I500 HydrophobicContact CG2-CD1 4.08Å; I500-Q504 HydrophobicContact CD1-CB 3.82Å; I500-Q504 HydrophobicContact CG1-CB 3.6Å; I500-V505 HydrophobicContact CD1-CG2 4.46Å; I500-V505 HydrophobicContact CG2-CG2 4.48Å | ||
| 501 | D | 84.6 | Confident | 84.8 | Confident | 104 Ų | 104 | 92 Ų | 92 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | trans | -72.4 | 147.6 | 169.6 | -66.7 | -45.9 | 0 | 0 | 0 | 110.9 | E503 Q504 | D501-E503 PolarHBondContact O-N 2.95Å; D501-E503 VanDerWaalsContact O-N 3.09Å; D501-Q504 HydrophobicContact CB-CG 4.2Å; D501-Q504 WeakPolarHBondContact O-CB 3.41Å; D501-Q504 PolarHBondContact O-N 3.41Å; D501-Q504 PolarHBondContact OD2-NE2 2.83Å | ||
| 502 | V | 84 | Confident | 84.7 | Confident | 118 Ų | 118 | 89 Ų | 89 | 72% | 0.715 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -55 | -34.2 | -179.2 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | Q504 V505 | V502-Q504 VanDerWaalsContact C-N 3.28Å; V502-Q504 PolarHBondContact O-N 3.21Å; V502-V505 PolarHBondContact O-N 3.38Å |
| 503 | E | 82.9 | Confident | 84.5 | Confident | 191 Ų | 191 | 83.9 Ų | 83.9 | 89% | 0.893 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -70.7 | -21.9 | 179.9 | -59.3 | -172.8 | 172.3 | 0 | 0 | 113.7 | D501 | D501-E503 PolarHBondContact O-N 2.95Å; D501-E503 VanDerWaalsContact O-N 3.09Å |
| 504 | Q | 83.4 | Confident | 84.5 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -87.3 | -8.3 | -179.5 | -61.7 | 176.3 | 12.8 | 0 | 0 | 112.3 | I500 D501 V502 P506 | I500-Q504 HydrophobicContact CD1-CB 3.82Å; I500-Q504 HydrophobicContact CG1-CB 3.6Å; D501-Q504 HydrophobicContact CB-CG 4.2Å; D501-Q504 WeakPolarHBondContact O-CB 3.41Å; D501-Q504 PolarHBondContact O-N 3.41Å; D501-Q504 PolarHBondContact OD2-NE2 2.83Å; V502-Q504 VanDerWaalsContact C-N 3.28Å; V502-Q504 PolarHBondContact O-N 3.21Å; Q504-P506 WeakPolarHBondContact O-CD 3.06Å |
| 505 | V | 84.5 | Confident | 84.5 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 26% | 0.261 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -67.1 | 121.5 | 176.5 | -179 | 0 | 0 | 0 | 0 | 109.3 | P490 I491 I500 V502 | P490-V505 HydrophobicContact CB-CG1 4.5Å; I491-V505 HydrophobicContact CG1-CG1 4.39Å; I500-V505 HydrophobicContact CD1-CG2 4.46Å; I500-V505 HydrophobicContact CG2-CG2 4.48Å; V502-V505 PolarHBondContact O-N 3.38Å |
| 506 | P | 84.3 | Confident | 84.8 | Confident | 63 Ų | 63 | 77.3 Ų | 77.3 | 41% | 0.409 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 144.6 | -179.3 | -22.3 | 32.5 | 0 | 0 | 0 | 111.9 | P490 Q504 | P490-P506 HydrophobicContact CB-CB 4.3Å; P490-P506 VanDerWaalsContact CB-O 3.23Å; P490-P506 WeakPolarHBondContact CB-O 3.32Å; Q504-P506 WeakPolarHBondContact O-CD 3.06Å |
| 507 | P | 84 | Confident | 85 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 158.4 | 174.3 | 29.7 | -35.1 | 0 | 0 | 0 | 111.1 | S509 | P507-S509 PolarHBondContact O-N 3.31Š|
| 508 | I | 83.9 | Confident | 85.2 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 129.8 | 178.6 | -53.1 | 170.7 | 0 | 0 | 0 | 109.5 | L449 M454 V455 L458 A486 A487 P490 D512 F513 | L449-I508 HydrophobicContact CD2-CD1 4.05Å; M454-I508 HydrophobicContact CB-CD1 4.1Å; M454-I508 HydrophobicContact CB-CG1 4.31Å; M454-I508 PolarHBondContact O-N 2.98Å; V455-I508 HydrophobicContact CG2-CB 4.44Å; V455-I508 HydrophobicContact CG2-CD1 4.42Å; L458-I508 HydrophobicContact CD1-CB 4.39Å; L458-I508 HydrophobicContact CD1-CG2 4.4Å; A486-I508 HydrophobicContact CB-CG2 4.24Å; A487-I508 HydrophobicContact CB-CD1 3.66Å; A487-I508 HydrophobicContact CB-CG1 4.5Å; P490-I508 HydrophobicContact CG-CG1 4.33Å; I508-D512 HydrophobicContact CG2-CB 4.15Å; I508-F513 HydrophobicContact CG2-CD2 4Å; I508-F513 HydrophobicContact CG2-CE2 3.68Å |
| 509 | S | 82.1 | Confident | 85.4 | Confident | 41 Ų | 41 | 69 Ų | 69 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | trans | -105.8 | 164.4 | 178.6 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | P507 N511 D512 F513 | P507-S509 PolarHBondContact O-N 3.31Å; S509-N511 PolarHBondContact O-N 3.02Å; S509-D512 WeakPolarHBondContact CA-OD2 3.25Å; S509-D512 WeakPolarHBondContact CB-OD2 3.43Å; S509-D512 PolarHBondContact N-OD2 3.42Å; S509-D512 WeakPolarHBondContact O-CB 3.35Å; S509-D512 PolarHBondContact O-N 2.85Å; S509-D512 VanDerWaalsContact O-N 3.09Å; S509-D512 PolarHBondContact OG-N 2.86Å; S509-D512 PolarHBondContact OG-OD2 2.59Å; S509-F513 PolarHBondContact O-N 2.79Å | ||
| 510 | E | 81.8 | Confident | 85.6 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 34% | 0.341 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -33.9 | 175.1 | -165.5 | -164.7 | 140 | 0 | 0 | 112.2 | F461 D512 F513 K514 | F461-E510 HydrophobicContact CE1-CG 3.75Å; F461-E510 HydrophobicContact CE2-CG 4.34Å; F461-E510 HydrophobicContact CZ-CG 3.45Å; F461-E510 VanDerWaalsContact CZ-CG 3.45Å; E510-D512 PolarHBondContact O-N 3.47Å; E510-F513 WeakPolarHBondContact O-CB 3.44Å; E510-F513 PolarHBondContact O-N 3.29Å; E510-K514 PolarHBondContact O-N 3.43Å; E510-K514 WeakPolarHBondContact OE1-CE 3.39Å; E510-K514 IonicContact OE1-NZ 2.99Å; E510-K514 PolarHBondContact OE1-NZ 3.46Å |
| 511 | N | 85.5 | Confident | 85.8 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -28 | 177.8 | -74.2 | -18.7 | 0 | 0 | 0 | 112.4 | S509 K514 S515 | S509-N511 PolarHBondContact O-N 3.02Å; N511-K514 PolarHBondContact O-N 3.38Å; N511-S515 WeakPolarHBondContact O-CB 3.34Å; N511-S515 PolarHBondContact O-N 3.48Å; N511-S515 PolarHBondContact O-OG 3.47Å |
| 512 | D | 87 | Confident | 86 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 174.5 | -59.8 | -41.3 | 0 | 0 | 0 | 110.6 | F489 K493 I508 S509 E510 S515 A516 | F489-D512 HydrophobicContact CB-CB 3.71Å; F489-D512 VanDerWaalsContact CB-OD1 3.31Å; F489-D512 WeakPolarHBondContact CB-OD1 3.27Å; F489-D512 HydrophobicContact CD2-CB 4.42Å; F489-D512 HydrophobicContact CG-CB 4.25Å; K493-D512 IonicContact NZ-OD1 3.89Å; K493-D512 PolarHBondContact NZ-OD1 3.21Å; K493-D512 IonicContact NZ-OD2 3.95Å; I508-D512 HydrophobicContact CG2-CB 4.15Å; S509-D512 WeakPolarHBondContact CA-OD2 3.25Å; S509-D512 WeakPolarHBondContact CB-OD2 3.43Å; S509-D512 PolarHBondContact N-OD2 3.42Å; S509-D512 WeakPolarHBondContact O-CB 3.35Å; S509-D512 PolarHBondContact O-N 2.85Å; S509-D512 VanDerWaalsContact O-N 3.09Å; S509-D512 PolarHBondContact OG-N 2.86Å; S509-D512 PolarHBondContact OG-OD2 2.59Å; E510-D512 PolarHBondContact O-N 3.47Å; D512-S515 PolarHBondContact O-N 3.47Å; D512-A516 WeakPolarHBondContact O-CB 3.37Å; D512-A516 PolarHBondContact O-N 2.99Å |
| 513 | F | 85.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 172 | -86 | -85.2 | 0 | 0 | 0 | 112.8 | I445 L449 L458 F461 W471 V482 A486 I508 S509 E510 S515 A516 L517 | I445-F513 HydrophobicContact CG2-CZ 4.43Å; L449-F513 HydrophobicContact CD1-CE2 4.29Å; L449-F513 HydrophobicContact CD1-CZ 4.06Å; L449-F513 HydrophobicContact CD2-CE2 4.36Å; L449-F513 HydrophobicContact CD2-CZ 4.02Å; L449-F513 HydrophobicContact CG-CZ 4.43Å; L458-F513 HydrophobicContact CD1-CD2 4.47Å; L458-F513 HydrophobicContact CD1-CE2 3.85Å; F461-F513 HydrophobicContact CE2-CB 3.61Å; F461-F513 HydrophobicContact CE2-CD1 4.09Å; F461-F513 AromaticContact CE2-CD2 3.99Å; F461-F513 HydrophobicContact CE2-CD2 3.99Å; F461-F513 AromaticContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CZ-CB 3.68Å; F461-F513 HydrophobicContact CZ-CG 4.23Å; W471-F513 HydrophobicContact CH2-CD1 4.46Å; W471-F513 HydrophobicContact CZ2-CD1 4.35Å; V482-F513 HydrophobicContact CG1-CD1 4.14Å; A486-F513 HydrophobicContact CB-CD1 3.89Å; A486-F513 HydrophobicContact CB-CD2 3.97Å; A486-F513 HydrophobicContact CB-CE1 3.91Å; A486-F513 HydrophobicContact CB-CE2 4Å; A486-F513 HydrophobicContact CB-CG 3.92Å; A486-F513 HydrophobicContact CB-CZ 3.97Å; I508-F513 HydrophobicContact CG2-CD2 4Å; I508-F513 HydrophobicContact CG2-CE2 3.68Å; S509-F513 PolarHBondContact O-N 2.79Å; E510-F513 WeakPolarHBondContact O-CB 3.44Å; E510-F513 PolarHBondContact O-N 3.29Å; F513-S515 VanDerWaalsContact C-N 3.26Å; F513-S515 PolarHBondContact O-N 3.37Å; F513-A516 PolarHBondContact O-N 2.93Å; F513-L517 WeakPolarHBondContact O-CB 3.44Å; F513-L517 VanDerWaalsContact O-CG 3.31Å; F513-L517 WeakPolarHBondContact O-CG 3.25Å; F513-L517 PolarHBondContact O-N 3.2Å |
| 514 | K | 86 | Confident | 86.4 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 173.9 | -71.2 | 174.6 | -177.3 | 159.1 | 0 | 111.2 | E510 N511 L517 C518 | E510-K514 PolarHBondContact O-N 3.43Å; E510-K514 WeakPolarHBondContact OE1-CE 3.39Å; E510-K514 IonicContact OE1-NZ 2.99Å; E510-K514 PolarHBondContact OE1-NZ 3.46Å; N511-K514 PolarHBondContact O-N 3.38Å; K514-L517 PolarHBondContact O-N 2.82Å; K514-C518 PolarHBondContact O-N 2.9Å; K514-C518 VanDerWaalsContact O-N 3.08Å; K514-C518 PolarHBondContact O-SG 2.84Å; K514-C518 VanDerWaalsContact O-SG 3.35Å |
| 515 | S | 88.7 | Confident | 86.5 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.7 | -36.5 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | F489 N511 D512 F513 C518 R519 | F489-S515 VanDerWaalsContact CZ-C 3.5Å; N511-S515 WeakPolarHBondContact O-CB 3.34Å; N511-S515 PolarHBondContact O-N 3.48Å; N511-S515 PolarHBondContact O-OG 3.47Å; D512-S515 PolarHBondContact O-N 3.47Å; F513-S515 VanDerWaalsContact C-N 3.26Å; F513-S515 PolarHBondContact O-N 3.37Å; S515-C518 WeakPolarHBondContact O-CB 3.47Å; S515-C518 PolarHBondContact O-N 3.06Å; S515-R519 PolarHBondContact O-N 3.28Å |
| 516 | A | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V482 E485 A486 F489 D512 F513 C518 R519 I520 | V482-A516 HydrophobicContact CG1-CB 3.94Å; E485-A516 HydrophobicContact CB-CB 4.02Å; E485-A516 HydrophobicContact CG-CB 3.86Å; A486-A516 HydrophobicContact CB-CB 4Å; F489-A516 HydrophobicContact CD2-CB 4.38Å; F489-A516 HydrophobicContact CE2-CB 3.88Å; D512-A516 WeakPolarHBondContact O-CB 3.37Å; D512-A516 PolarHBondContact O-N 2.99Å; F513-A516 PolarHBondContact O-N 2.93Å; A516-C518 PolarHBondContact O-N 3.38Å; A516-R519 PolarHBondContact O-N 3.31Å; A516-I520 PolarHBondContact O-N 3.03Å |
| 517 | L | 87.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -31 | 174.3 | -72.4 | 164.3 | 0 | 0 | 0 | 111.9 | V470 W471 Y474 V482 F513 K514 R519 R521 | V470-L517 HydrophobicContact CG1-CB 4.23Å; V470-L517 HydrophobicContact CG1-CD1 3.75Å; V470-L517 HydrophobicContact CG1-CD2 4.09Å; V470-L517 HydrophobicContact CG1-CG 4.23Å; W471-L517 HydrophobicContact CD2-CD2 4.09Å; W471-L517 HydrophobicContact CE3-CD2 3.96Å; W471-L517 HydrophobicContact CH2-CD2 3.94Å; W471-L517 HydrophobicContact CZ2-CD1 4.03Å; W471-L517 HydrophobicContact CZ2-CD2 4.01Å; W471-L517 HydrophobicContact CZ2-CG 4.36Å; W471-L517 HydrophobicContact CZ3-CD2 3.89Å; Y474-L517 HydrophobicContact CE1-CD2 4.25Å; V482-L517 HydrophobicContact CG1-CD2 3.9Å; V482-L517 HydrophobicContact CG1-CG 3.98Å; V482-L517 HydrophobicContact CG2-CD2 4.02Å; F513-L517 WeakPolarHBondContact O-CB 3.44Å; F513-L517 VanDerWaalsContact O-CG 3.31Å; F513-L517 WeakPolarHBondContact O-CG 3.25Å; F513-L517 PolarHBondContact O-N 3.2Å; K514-L517 PolarHBondContact O-N 2.82Å; L517-R519 VanDerWaalsContact C-N 3.26Å; L517-R519 PolarHBondContact O-N 2.77Å; L517-R521 PolarHBondContact O-NH1 3.48Å |
| 518 | C | 87.2 | Confident | 86.5 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 59% | 0.588 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.8 | -25.2 | 171.9 | -74 | 0 | 0 | 0 | 0 | 113.5 | K514 S515 A516 R521 | K514-C518 PolarHBondContact O-N 2.9Å; K514-C518 VanDerWaalsContact O-N 3.08Å; K514-C518 PolarHBondContact O-SG 2.84Å; K514-C518 VanDerWaalsContact O-SG 3.35Å; S515-C518 WeakPolarHBondContact O-CB 3.47Å; S515-C518 PolarHBondContact O-N 3.06Å; A516-C518 PolarHBondContact O-N 3.38Å; C518-R521 VanDerWaalsContact C-NH1 3.29Å; C518-R521 PolarHBondContact O-NH1 2.99Å; C518-R521 PolarHBondContact O-NH2 2.75Å |
| 519 | R | 89.7 | Confident | 86.8 | Confident | 137 Ų | 137 | 61.8 Ų | 61.8 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -96.8 | -42.3 | -178.5 | -70.6 | -177.3 | 173.7 | -166.4 | -1.3 | 113.7 | E485 S515 A516 L517 | E485-R519 WeakPolarHBondContact OE1-CD 3.5Å; E485-R519 IonicContact OE1-CZ 2.91Å; E485-R519 IonicContact OE1-NE 3.99Å; E485-R519 IonicContact OE1-NH1 3.52Å; E485-R519 PolarHBondContact OE1-NH1 2.78Å; S515-R519 PolarHBondContact O-N 3.28Å; A516-R519 PolarHBondContact O-N 3.31Å; L517-R519 VanDerWaalsContact C-N 3.26Å; L517-R519 PolarHBondContact O-N 2.77Å |
| 520 | I | 90.2 | Very high | 87.3 | Confident | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 116.2 | -177.8 | -53.9 | -56.6 | 0 | 0 | 0 | 108.5 | Y474 E481 V482 E485 A516 | Y474-I520 HydrophobicContact CE1-CG2 4.49Å; Y474-I520 PolarHBondContact OH-O 2.66Å; E481-I520 HydrophobicContact CB-CG2 4.19Å; E481-I520 HydrophobicContact CG-CD1 3.83Å; E481-I520 HydrophobicContact CG-CG1 4.12Å; E481-I520 HydrophobicContact CG-CG2 3.95Å; V482-I520 HydrophobicContact CG2-CB 3.85Å; V482-I520 HydrophobicContact CG2-CG1 4.48Å; V482-I520 HydrophobicContact CG2-CG2 3.78Å; E485-I520 HydrophobicContact CB-CD1 4.42Å; E485-I520 HydrophobicContact CB-CG1 3.97Å; E485-I520 HydrophobicContact CG-CD1 4.33Å; E485-I520 HydrophobicContact CG-CG1 3.99Å; A516-I520 PolarHBondContact O-N 3.03Å |
| 521 | R | 88.4 | Confident | 87.8 | Confident | 159 Ų | 159 | 66.8 Ų | 66.8 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -96.2 | 158.4 | 172.7 | -65.4 | -73.8 | 176.6 | -85.3 | -8.1 | 109.5 | L517 C518 | L517-R521 PolarHBondContact O-NH1 3.48Å; C518-R521 VanDerWaalsContact C-NH1 3.29Å; C518-R521 PolarHBondContact O-NH1 2.99Å; C518-R521 PolarHBondContact O-NH2 2.75Å |
| 522 | S | 89.7 | Confident | 88.3 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 138.4 | 172.3 | 173 | 0 | 0 | 0 | 0 | 110.8 | G473 V524 | G473-S522 PolarHBondContact O-OG 3.18Å; S522-V524 PolarHBondContact OG-N 3.09Å; S522-V524 PolarHBondContact OG-O 3.22Å |
| 523 | T | 89 | Confident | 88.5 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 66% | 0.656 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -81.7 | -20.4 | 173.7 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | D478 | D478-T523 VanDerWaalsContact OD1-CB 3.28Å; D478-T523 WeakPolarHBondContact OD1-CB 3.26Å; D478-T523 PolarHBondContact OD1-N 3.42Å; D478-T523 PolarHBondContact OD1-OG1 3.46Å; D478-T523 PolarHBondContact OD2-N 2.65Å |
| 524 | V | 86.7 | Confident | 89 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -96.7 | 124.2 | -173.4 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | P310 P311 L435 S522 | P310-V524 HydrophobicContact CB-CG1 3.99Å; P310-V524 HydrophobicContact CB-CG2 4.08Å; P310-V524 HydrophobicContact CG-CG1 4.38Å; P311-V524 HydrophobicContact CG-CG2 4.43Å; L435-V524 HydrophobicContact CD1-CG1 4.35Å; L435-V524 HydrophobicContact CD2-CB 4.44Å; L435-V524 HydrophobicContact CD2-CG1 4.4Å; L435-V524 HydrophobicContact CD2-CG2 4.14Å; S522-V524 PolarHBondContact OG-N 3.09Å; S522-V524 PolarHBondContact OG-O 3.22Å |
| 525 | C | 84.7 | Confident | 89.4 | Confident | 82 Ų | 82 | 71.2 Ų | 71.2 | 55% | 0.554 | 37% | 0.369 | S | S | * | . | trans | -72.2 | 126.2 | 170.8 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | D527 G528 | C525-D527 VanDerWaalsContact C-N 3.32Å; C525-D527 PolarHBondContact O-N 3.2Å; C525-G528 PolarHBondContact O-N 3.23Å | ||
| 526 | L | 83.6 | Confident | 89.7 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 44% | 0.44 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -63.3 | -37.6 | -179.1 | -67.2 | 177.9 | 0 | 0 | 0 | 112.2 | I472 G528 I529 | I472-L526 HydrophobicContact CG2-CD1 4.06Å; I472-L526 HydrophobicContact CG2-CD2 4.32Å; L526-G528 PolarHBondContact O-N 3.23Å; L526-G528 VanDerWaalsContact O-N 3.15Å; L526-I529 HydrophobicContact CD2-CD1 3.61Å; L526-I529 VanDerWaalsContact O-CB 3.26Å; L526-I529 WeakPolarHBondContact O-CB 3.02Å; L526-I529 WeakPolarHBondContact O-CG1 3.41Å; L526-I529 PolarHBondContact O-N 3.5Å |
| 527 | D | 82.3 | Confident | 89.9 | Confident | 131 Ų | 131 | 75.6 Ų | 75.6 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -61.1 | -26.2 | 178 | -56.8 | -18.3 | 0 | 0 | 0 | 112.3 | C525 I529 | C525-D527 VanDerWaalsContact C-N 3.32Å; C525-D527 PolarHBondContact O-N 3.2Å; D527-I529 VanDerWaalsContact C-N 3.28Å; D527-I529 PolarHBondContact O-N 3.3Å |
| 528 | G | 86 | Confident | 90.1 | Very high | 22 Ų | 22 | 80.1 Ų | 80.1 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -75.6 | -14.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C525 L526 E531 Y532 | C525-G528 PolarHBondContact O-N 3.23Å; L526-G528 PolarHBondContact O-N 3.23Å; L526-G528 VanDerWaalsContact O-N 3.15Å; G528-E531 PolarHBondContact O-N 3.43Å; G528-Y532 WeakPolarHBondContact O-CD2 3.14Å; G528-Y532 WeakPolarHBondContact O-CE2 3.31Å |
| 529 | I | 91 | Very high | 90.4 | Very high | 26 Ų | 26 | 80.2 Ų | 80.2 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | -178.8 | -61.6 | 173.6 | 0 | 0 | 0 | 110.6 | L435 L526 D527 E531 Y532 E533 | L435-I529 HydrophobicContact CD1-CD1 3.48Å; L435-I529 VanDerWaalsContact CD1-CD1 3.48Å; L435-I529 HydrophobicContact CD1-CG1 4.36Å; L435-I529 HydrophobicContact CG-CD1 4.42Å; L526-I529 HydrophobicContact CD2-CD1 3.61Å; L526-I529 VanDerWaalsContact O-CB 3.26Å; L526-I529 WeakPolarHBondContact O-CB 3.02Å; L526-I529 WeakPolarHBondContact O-CG1 3.41Å; L526-I529 PolarHBondContact O-N 3.5Å; D527-I529 VanDerWaalsContact C-N 3.28Å; D527-I529 PolarHBondContact O-N 3.3Å; I529-E531 PolarHBondContact O-N 3.28Å; I529-Y532 WeakPolarHBondContact O-CB 3.34Å; I529-Y532 PolarHBondContact O-N 3.19Å; I529-E533 HydrophobicContact CG2-CG 4.37Å; I529-E533 PolarHBondContact O-N 3.01Å; I529-E533 VanDerWaalsContact O-N 3.07Å |
| 530 | D | 92 | Very high | 90.5 | Very high | 108 Ų | 108 | 74.8 Ų | 74.8 | 58% | 0.578 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.2 | -34.5 | 179.8 | -66.6 | -10.2 | 0 | 0 | 0 | 112.1 | E533 K534 | D530-E533 PolarHBondContact O-N 2.63Å; D530-K534 VanDerWaalsContact O-CB 3.25Å; D530-K534 WeakPolarHBondContact O-CB 3.3Å; D530-K534 PolarHBondContact O-N 2.81Å |
| 531 | E | 93.5 | Very high | 90.4 | Very high | 111 Ų | 111 | 75.8 Ų | 75.8 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.3 | -62.9 | -169.3 | 162 | 0 | 0 | 112 | W417 G528 I529 W535 | W417-E531 HydrophobicContact CZ3-CB 4.38Å; G528-E531 PolarHBondContact O-N 3.43Å; I529-E531 PolarHBondContact O-N 3.28Å; E531-W535 WeakPolarHBondContact O-CB 3.35Å; E531-W535 PolarHBondContact O-N 3.32Å |
| 532 | Y | 94.6 | Very high | 89.6 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 176 | -63.7 | -80.2 | 0 | 0 | 0 | 111.8 | F308 P310 N414 P416 W417 Y432 G528 I529 W535 N536 | F308-Y532 HydrophobicContact CD2-CD1 4.41Å; P310-Y532 HydrophobicContact CB-CE2 4.47Å; P310-Y532 HydrophobicContact CG-CD2 4.05Å; P310-Y532 HydrophobicContact CG-CE2 3.85Å; N414-Y532 VanDerWaalsContact O-CE1 3.31Å; N414-Y532 WeakPolarHBondContact O-CE1 3.46Å; N414-Y532 PolarHBondContact O-OH 3.31Å; P416-Y532 HydrophobicContact CG-CD1 4.26Å; P416-Y532 HydrophobicContact CG-CE1 4.47Å; W417-Y532 AromaticContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE2 4.42Å; W417-Y532 AromaticContact CH2-CZ 3.82Å; W417-Y532 HydrophobicContact CZ3-CD1 4.01Å; W417-Y532 AromaticContact CZ3-CE1 3.74Å; W417-Y532 HydrophobicContact CZ3-CE1 3.74Å; Y432-Y532 HydrophobicContact CE2-CD1 4.5Å; Y432-Y532 HydrophobicContact CE2-CG 4.14Å; G528-Y532 WeakPolarHBondContact O-CD2 3.14Å; G528-Y532 WeakPolarHBondContact O-CE2 3.31Å; I529-Y532 WeakPolarHBondContact O-CB 3.34Å; I529-Y532 PolarHBondContact O-N 3.19Å; Y532-W535 PolarHBondContact O-N 3.27Å; Y532-N536 VanDerWaalsContact O-CB 3.3Å; Y532-N536 WeakPolarHBondContact O-CB 3.49Å; Y532-N536 PolarHBondContact O-N 3.35Å |
| 533 | E | 93 | Very high | 88.5 | Confident | 102 Ų | 102 | 74.3 Ų | 74.3 | 48% | 0.477 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 177.9 | -67.8 | -168.7 | 170.8 | 0 | 0 | 111 | Y432 I529 D530 W535 N536 S537 | Y432-E533 HydrophobicContact CE1-CG 4.49Å; I529-E533 HydrophobicContact CG2-CG 4.37Å; I529-E533 PolarHBondContact O-N 3.01Å; I529-E533 VanDerWaalsContact O-N 3.07Å; D530-E533 PolarHBondContact O-N 2.63Å; E533-W535 VanDerWaalsContact C-N 3.32Å; E533-W535 PolarHBondContact O-N 3.48Å; E533-N536 WeakPolarHBondContact O-CB 3.37Å; E533-N536 PolarHBondContact O-N 3.25Å; E533-N536 VanDerWaalsContact O-N 3.14Å; E533-S537 PolarHBondContact O-N 3.36Å; E533-S537 PolarHBondContact O-OG 3.25Å |
| 534 | K | 94.6 | Very high | 86.8 | Confident | 150 Ų | 150 | 73.4 Ų | 73.4 | 65% | 0.652 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 174.3 | -176.1 | 178 | -179 | 177.8 | 0 | 111.9 | D530 S537 L538 | D530-K534 VanDerWaalsContact O-CB 3.25Å; D530-K534 WeakPolarHBondContact O-CB 3.3Å; D530-K534 PolarHBondContact O-N 2.81Å; K534-S537 PolarHBondContact O-N 3.2Å; K534-L538 HydrophobicContact CG-CD1 4.45Å; K534-L538 WeakPolarHBondContact O-CG 3.47Å; K534-L538 PolarHBondContact O-N 3.15Å |
| 535 | W | 94.7 | Very high | 84.9 | Confident | 19 Ų | 19 | 82 Ų | 82 | 7% | 0.072 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.9 | -165.3 | 99.7 | 0 | 0 | 0 | 111.8 | L306 F308 P416 R430 E531 Y532 E533 L538 Y539 | L306-W535 HydrophobicContact CD2-CH2 3.93Å; F308-W535 HydrophobicContact CD1-CE3 4.24Å; F308-W535 HydrophobicContact CD1-CH2 4.44Å; F308-W535 AromaticContact CD1-CZ3 3.64Å; F308-W535 HydrophobicContact CD1-CZ3 3.64Å; F308-W535 AromaticContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CZ3 4.14Å; F308-W535 AromaticContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CH2 4.48Å; F308-W535 AromaticContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE2-CD2 4.49Å; F308-W535 AromaticContact CE2-CE3 3.47Å; F308-W535 HydrophobicContact CE2-CE3 3.47Å; F308-W535 VanDerWaalsContact CE2-CE3 3.47Å; F308-W535 AromaticContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CG-CE3 4.27Å; F308-W535 HydrophobicContact CG-CZ3 4.01Å; F308-W535 AromaticContact CZ-CE3 3.41Å; F308-W535 HydrophobicContact CZ-CE3 3.41Å; F308-W535 VanDerWaalsContact CZ-CE3 3.41Å; F308-W535 AromaticContact CZ-CZ3 3.49Å; F308-W535 HydrophobicContact CZ-CZ3 3.49Å; F308-W535 VanDerWaalsContact CZ-CZ3 3.49Å; P416-W535 HydrophobicContact CB-CD2 3.77Å; P416-W535 HydrophobicContact CB-CE3 4.07Å; P416-W535 HydrophobicContact CB-CG 4.32Å; P416-W535 HydrophobicContact CB-CH2 4.02Å; P416-W535 HydrophobicContact CB-CZ2 3.71Å; P416-W535 HydrophobicContact CB-CZ3 4.2Å; P416-W535 HydrophobicContact CG-CD2 4.03Å; P416-W535 HydrophobicContact CG-CE3 4.37Å; P416-W535 HydrophobicContact CG-CG 4.16Å; P416-W535 PolarHBondContact O-NE1 3.41Å; R430-W535 HydrophobicContact CB-CH2 4.21Å; R430-W535 HydrophobicContact CB-CZ3 4.08Å; R430-W535 HydrophobicContact CG-CH2 4.17Å; E531-W535 WeakPolarHBondContact O-CB 3.35Å; E531-W535 PolarHBondContact O-N 3.32Å; Y532-W535 PolarHBondContact O-N 3.27Å; E533-W535 VanDerWaalsContact C-N 3.32Å; E533-W535 PolarHBondContact O-N 3.48Å; W535-L538 PolarHBondContact O-N 3.09Å; W535-Y539 AromaticContact CD1-CD2 3.93Å; W535-Y539 AromaticContact CD2-CD2 3.89Å; W535-Y539 HydrophobicContact CD2-CD2 3.89Å; W535-Y539 AromaticContact CE2-CD2 3.61Å; W535-Y539 HydrophobicContact CG-CD2 4.08Å; W535-Y539 HydrophobicContact CZ2-CD2 4.11Å; W535-Y539 HydrophobicContact CZ2-CG 4.31Å; W535-Y539 AromaticContact NE1-CD2 3.65Å; W535-Y539 PolarHBondContact O-N 3.4Å |
| 536 | N | 94.7 | Very high | 82.8 | Confident | 34 Ų | 34 | 87 Ų | 87 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.2 | -173.9 | 52.6 | 0 | 0 | 0 | 111.9 | F308 Y432 Y532 E533 L538 G540 | F308-N536 HydrophobicContact CE2-CB 4.11Å; F308-N536 HydrophobicContact CZ-CB 3.8Å; Y432-N536 WeakPolarHBondContact CB-OD1 3.23Å; Y432-N536 HydrophobicContact CG-CB 4.34Å; Y532-N536 VanDerWaalsContact O-CB 3.3Å; Y532-N536 WeakPolarHBondContact O-CB 3.49Å; Y532-N536 PolarHBondContact O-N 3.35Å; E533-N536 WeakPolarHBondContact O-CB 3.37Å; E533-N536 PolarHBondContact O-N 3.25Å; E533-N536 VanDerWaalsContact O-N 3.14Å; N536-L538 VanDerWaalsContact C-N 3.26Å; N536-L538 PolarHBondContact O-N 2.93Å; N536-G540 WeakPolarHBondContact O-CA 3.45Å; N536-G540 PolarHBondContact O-N 3.12Å; N536-G540 WeakPolarHBondContact OD1-CA 3.35Å |
| 537 | S | 93.9 | Very high | 80.2 | Confident | 104 Ų | 104 | 92.3 Ų | 92.3 | 73% | 0.727 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.3 | -32 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 113 | E533 K534 | E533-S537 PolarHBondContact O-N 3.36Å; E533-S537 PolarHBondContact O-OG 3.25Å; K534-S537 PolarHBondContact O-N 3.2Å |
| 538 | L | 93.3 | Very high | 80.1 | Confident | 113 Ų | 113 | 90.4 Ų | 90.4 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -84.6 | -38.6 | -178.6 | -68.6 | 172.7 | 0 | 0 | 0 | 113.5 | K534 W535 N536 | K534-L538 HydrophobicContact CG-CD1 4.45Å; K534-L538 WeakPolarHBondContact O-CG 3.47Å; K534-L538 PolarHBondContact O-N 3.15Å; W535-L538 PolarHBondContact O-N 3.09Å; N536-L538 VanDerWaalsContact C-N 3.26Å; N536-L538 PolarHBondContact O-N 2.93Å |
| 539 | Y | 93.5 | Very high | 79.8 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 35% | 0.349 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -129.7 | -13.6 | -168.6 | -57.4 | -66.1 | 0 | 0 | 0 | 114.7 | R424 R430 W535 | R424-Y539 PolarHBondContact NH1-OH 3.32Å; R424-Y539 VanDerWaalsContact NH1-OH 3.14Å; R430-Y539 WeakPolarHBondContact CD-O 3.49Å; R430-Y539 PolarHBondContact NH1-O 3.3Å; W535-Y539 AromaticContact CD1-CD2 3.93Å; W535-Y539 AromaticContact CD2-CD2 3.89Å; W535-Y539 HydrophobicContact CD2-CD2 3.89Å; W535-Y539 AromaticContact CE2-CD2 3.61Å; W535-Y539 HydrophobicContact CG-CD2 4.08Å; W535-Y539 HydrophobicContact CZ2-CD2 4.11Å; W535-Y539 HydrophobicContact CZ2-CG 4.31Å; W535-Y539 AromaticContact NE1-CD2 3.65Å; W535-Y539 PolarHBondContact O-N 3.4Å |
| 540 | G | 90.3 | Very high | 79.2 | Confident | 23 Ų | 23 | 97.7 Ų | 97.7 | 24% | 0.237 | 50% | 0.503 | C | S | . | . | trans | -68.8 | 158.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N536 | N536-G540 WeakPolarHBondContact O-CA 3.45Å; N536-G540 PolarHBondContact O-N 3.12Å; N536-G540 WeakPolarHBondContact OD1-CA 3.35Å | ||
| 541 | F | 88.1 | Confident | 78.5 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 23% | 0.228 | 50% | 0.498 | C | S | . | . | trans | -94.9 | 105.5 | 170.1 | -179.7 | -105.2 | 0 | 0 | 0 | 108.6 | A280 I284 R430 L431 | A280-F541 HydrophobicContact CB-CE1 4.19Å; I284-F541 HydrophobicContact CG2-CE1 4.13Å; I284-F541 HydrophobicContact CG2-CZ 4.26Å; R430-F541 WeakPolarHBondContact O-CB 3.33Å; R430-F541 PolarHBondContact O-N 3.48Å; L431-F541 HydrophobicContact CD2-CB 4.3Å; L431-F541 HydrophobicContact CD2-CD1 3.75Å | ||
| 542 | T | 73.1 | Confident | 77.5 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 63% | 0.632 | 50% | 0.497 | S | S | * | . | trans | -88.8 | 126.8 | 175 | -32.5 | 0 | 0 | 0 | 0 | 109.1 | S544 | T542-S544 PolarHBondContact O-N 3.28Å; T542-S544 VanDerWaalsContact O-N 3.09Å | ||
| 543 | H | 65 | Low | 76.4 | Confident | 64 Ų | 64 | 101.3 Ų | 101.3 | 30% | 0.296 | 53% | 0.525 | S | S | . | . | trans | -72.7 | 100.1 | 164.9 | -167.5 | 66.4 | 0 | 0 | 0 | 106.3 | A280 E283 R545 | A280-H543 HydrophobicContact CB-CB 4.48Å; E283-H543 IonicContact OE2-CE1 3.77Å; E283-H543 IonicContact OE2-ND1 2.74Å; H543-R545 PolarHBondContact O-N 3.34Å; H543-R545 VanDerWaalsContact O-N 3.07Å | ||
| 544 | S | 53.9 | Low | 75.2 | Confident | 87 Ų | 87 | 101.2 Ų | 101.2 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | trans | -58.4 | 117.2 | 172 | 51.1 | 0 | 0 | 0 | 0 | 107.3 | T542 Q546 | T542-S544 PolarHBondContact O-N 3.28Å; T542-S544 VanDerWaalsContact O-N 3.09Å; S544-Q546 PolarHBondContact O-N 3.48Å | ||
| 545 | R | 46.3 | Very low | 73.7 | Confident | 196 Ų | 196 | 97.5 Ų | 97.5 | 74% | 0.74 | 52% | 0.518 | S | S | * | . | trans | -55.1 | 107.8 | 164.9 | -71.3 | -176.9 | -179 | 175.8 | 1.9 | 105.9 | E276 H543 T547 | E276-R545 IonicContact OE1-CZ 3.32Å; E276-R545 IonicContact OE1-NE 3.29Å; E276-R545 PolarHBondContact OE1-NE 3.41Å; E276-R545 IonicContact OE1-NH2 2.75Å; E276-R545 PolarHBondContact OE1-NH2 3.33Å; H543-R545 PolarHBondContact O-N 3.34Å; H543-R545 VanDerWaalsContact O-N 3.07Å; R545-T547 PolarHBondContact O-N 3.44Å | ||
| 546 | Q | 41.8 | Very low | 72 | Confident | 187 Ų | 187 | 104 Ų | 104 | 87% | 0.874 | 56% | 0.556 | S | S | * | * | trans | -60.4 | 113.3 | 165 | -73 | -179.3 | -4.9 | 0 | 0 | 105.1 | S544 | S544-Q546 PolarHBondContact O-N 3.48Š| ||
| 547 | T | 29.7 | Very low | 69.9 | Low | 196 Ų | 196 | 110.4 Ų | 110.4 | 100% | 1.202 | 59% | 0.59 | S | S | * | * | trans | -58.2 | 0 | 171.6 | 44.6 | 0 | 0 | 0 | 0 | 111.5 | R545 | R545-T547 PolarHBondContact O-N 3.44Š|
Retrieved 547 of 547 residues in 806.2 ms
(Link to these results)