| 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 | 47.9 | Very low | 67.2 | Low | 234 Ų | 234 | 127.8 Ų | 127.8 | 100% | 1.153 | 74% | 0.744 | S | S | * | * | 0 | 128.1 | 0 | -62.5 | -157.7 | -158.1 | 0 | 0 | 107.6 | |||||
| 2 | S | 61.8 | Low | 67.1 | Low | 73 Ų | 73 | 131.6 Ų | 131.6 | 51% | 0.51 | 75% | 0.749 | S | S | . | * | trans | -84.1 | 137.2 | -173 | 174.4 | 0 | 0 | 0 | 0 | 111 | T4 S5 | S2-T4 WeakPolarHBondContact CB-OG1 3.48Å; S2-T4 PolarHBondContact O-N 3.5Å; S2-T4 PolarHBondContact OG-N 3.28Å; S2-T4 PolarHBondContact OG-OG1 2.99Å; S2-S5 PolarHBondContact O-N 3.37Å; S2-S5 PolarHBondContact O-OG 3.48Å | ||
| 3 | L | 59 | Low | 67.5 | Low | 151 Ų | 151 | 127.5 Ų | 127.5 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -56.1 | -15.2 | 175.1 | -79.9 | 161 | 0 | 0 | 0 | 113.8 | S5 F6 | L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 3.33Å; L3-F6 PolarHBondContact O-N 3.24Å |
| 4 | T | 65.6 | Low | 67.9 | Low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -70.9 | -13.6 | 179.7 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | S2 | S2-T4 WeakPolarHBondContact CB-OG1 3.48Å; S2-T4 PolarHBondContact O-N 3.5Å; S2-T4 PolarHBondContact OG-N 3.28Å; S2-T4 PolarHBondContact OG-OG1 2.99Å |
| 5 | S | 73.6 | Confident | 68.2 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -89 | -7.6 | 178.8 | 66 | 0 | 0 | 0 | 0 | 114.5 | S2 L3 | S2-S5 PolarHBondContact O-N 3.37Å; S2-S5 PolarHBondContact O-OG 3.48Å; L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 3.33Å |
| 6 | F | 73.9 | Confident | 68.5 | Low | 173 Ų | 173 | 125 Ų | 125 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -109.8 | -3.3 | -176.1 | -78.1 | -80 | 0 | 0 | 0 | 114.1 | L3 | L3-F6 PolarHBondContact O-N 3.24Š|
| 7 | L | 72.8 | Confident | 68.9 | Low | 133 Ų | 133 | 123.4 Ų | 123.4 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -100.8 | 140.4 | 177.6 | -64.7 | 175.3 | 0 | 0 | 0 | 110.5 | ||
| 8 | P | 73.8 | Confident | 69.1 | Low | 117 Ų | 117 | 121.4 Ų | 121.4 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.7 | 173.9 | 26 | -33 | 0 | 0 | 0 | 110.3 | ||
| 9 | A | 69.8 | Low | 69.4 | Low | 86 Ų | 86 | 119.9 Ų | 119.9 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 133.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T11 | A9-T11 PolarHBondContact O-N 2.76Š|
| 10 | P | 71.1 | Confident | 69.8 | Low | 92 Ų | 92 | 116.4 Ų | 116.4 | 60% | 0.597 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 131.2 | 179.8 | 24 | -31.9 | 0 | 0 | 0 | 110.2 | Q12 | P10-Q12 VanDerWaalsContact C-N 3.27Å; P10-Q12 PolarHBondContact O-N 3.38Å |
| 11 | T | 69.9 | Low | 70 | Confident | 144 Ų | 144 | 116.5 Ų | 116.5 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -77.5 | -11.3 | -177.7 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | A9 | A9-T11 PolarHBondContact O-N 2.76Š|
| 12 | Q | 66.6 | Low | 71.2 | Confident | 173 Ų | 173 | 112.1 Ų | 112.1 | 81% | 0.808 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -115.2 | 102.9 | 174 | -71.3 | -176.7 | -14.5 | 0 | 0 | 108.9 | P10 | P10-Q12 VanDerWaalsContact C-N 3.27Å; P10-Q12 PolarHBondContact O-N 3.38Å |
| 13 | L | 72.1 | Confident | 71.7 | Confident | 79 Ų | 79 | 115.2 Ų | 115.2 | 41% | 0.414 | 63% | 0.626 | S | S | . | * | trans | -79.7 | 137 | 171.4 | -67.5 | 168.3 | 0 | 0 | 0 | 109 | Q17 L18 | L13-Q17 HydrophobicContact CB-CB 4.31Å; L13-Q17 HydrophobicContact CD2-CB 4.17Å; L13-L18 HydrophobicContact CB-CD2 4.28Å; L13-L18 HydrophobicContact CB-CG 4.04Å; L13-L18 HydrophobicContact CD1-CD2 3.99Å | ||
| 14 | S | 73.3 | Confident | 72.3 | Confident | 63 Ų | 63 | 112.9 Ų | 112.9 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | trans | -70.3 | 158 | 170.3 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | D16 Q17 L18 | S14-D16 PolarHBondContact O-N 3.47Å; S14-Q17 WeakPolarHBondContact O-CB 3.32Å; S14-Q17 PolarHBondContact O-N 3.44Å; S14-Q17 WeakPolarHBondContact OG-CG 3.39Å; S14-L18 PolarHBondContact O-N 3.26Å; S14-L18 VanDerWaalsContact O-N 3.12Å | ||
| 15 | Q | 71.9 | Confident | 72.4 | Confident | 153 Ų | 153 | 117 Ų | 117 | 72% | 0.715 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58 | -34.2 | -177.5 | -169.5 | 150.4 | -13.1 | 0 | 0 | 112.9 | Q17 L18 E19 | Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.43Å; Q15-L18 PolarHBondContact O-N 2.97Å; Q15-E19 PolarHBondContact O-N 3.04Å |
| 16 | D | 72.4 | Confident | 72 | Confident | 126 Ų | 126 | 115.6 Ų | 115.6 | 67% | 0.674 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.1 | -32.4 | 174.4 | -70.5 | -13 | 0 | 0 | 0 | 113.1 | S14 A20 | S14-D16 PolarHBondContact O-N 3.47Å; D16-A20 WeakPolarHBondContact O-CB 3.49Å; D16-A20 PolarHBondContact O-N 2.87Å; D16-A20 VanDerWaalsContact O-N 3.12Å |
| 17 | Q | 75.1 | Confident | 71.4 | Confident | 97 Ų | 97 | 114.4 Ų | 114.4 | 45% | 0.453 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.9 | -35.8 | 177.6 | -71.7 | 176.7 | -24.4 | 0 | 0 | 111.7 | L13 S14 Q15 A20 E21 | L13-Q17 HydrophobicContact CB-CB 4.31Å; L13-Q17 HydrophobicContact CD2-CB 4.17Å; S14-Q17 WeakPolarHBondContact O-CB 3.32Å; S14-Q17 PolarHBondContact O-N 3.44Å; S14-Q17 WeakPolarHBondContact OG-CG 3.39Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.43Å; Q17-A20 PolarHBondContact O-N 3.29Å; Q17-E21 WeakPolarHBondContact O-CB 3.26Å; Q17-E21 PolarHBondContact O-N 3.37Å |
| 18 | L | 73.4 | Confident | 70.7 | Confident | 88 Ų | 88 | 115.6 Ų | 115.6 | 46% | 0.461 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.4 | -43.3 | 173 | -73.7 | 167 | 0 | 0 | 0 | 111.4 | L13 S14 Q15 A20 E21 E22 | L13-L18 HydrophobicContact CB-CD2 4.28Å; L13-L18 HydrophobicContact CB-CG 4.04Å; L13-L18 HydrophobicContact CD1-CD2 3.99Å; S14-L18 PolarHBondContact O-N 3.26Å; S14-L18 VanDerWaalsContact O-N 3.12Å; Q15-L18 PolarHBondContact O-N 2.97Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.05Å; L18-E21 PolarHBondContact O-N 2.9Å; L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 3.11Å |
| 19 | E | 75.4 | Confident | 69.7 | Low | 93 Ų | 93 | 114.1 Ų | 114.1 | 44% | 0.435 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -35.9 | 175.1 | -79.3 | -167.9 | -178.7 | 0 | 0 | 112.8 | Q15 K23 | Q15-E19 PolarHBondContact O-N 3.04Å; E19-K23 WeakPolarHBondContact O-CB 3.02Å; E19-K23 VanDerWaalsContact O-CG 3.3Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 3.01Å |
| 20 | A | 76 | Confident | 68.9 | Low | 50 Ų | 50 | 118.2 Ų | 118.2 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.1 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D16 Q17 L18 K23 L24 | D16-A20 WeakPolarHBondContact O-CB 3.49Å; D16-A20 PolarHBondContact O-N 2.87Å; D16-A20 VanDerWaalsContact O-N 3.12Å; Q17-A20 PolarHBondContact O-N 3.29Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.05Å; A20-K23 PolarHBondContact O-N 3.03Å; A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 WeakPolarHBondContact O-CG 3.45Å; A20-L24 PolarHBondContact O-N 3.15Å |
| 21 | E | 74.6 | Confident | 67.9 | Low | 119 Ų | 119 | 118.2 Ų | 118.2 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.1 | -38.2 | 177.7 | -147.2 | -176.2 | -169.8 | 0 | 0 | 111.6 | Q17 L18 L24 R25 | Q17-E21 WeakPolarHBondContact O-CB 3.26Å; Q17-E21 PolarHBondContact O-N 3.37Å; L18-E21 PolarHBondContact O-N 2.9Å; E21-L24 PolarHBondContact O-N 2.7Å; E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.39Å |
| 22 | E | 73.4 | Confident | 67 | Low | 142 Ų | 142 | 117.5 Ų | 117.5 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -39.8 | 174.8 | -163.7 | 173.5 | -162.5 | 0 | 0 | 111.7 | L18 R25 A26 | L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 3.11Å; E22-R25 PolarHBondContact O-N 3.36Å; E22-A26 VanDerWaalsContact O-CB 3.32Å; E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 2.98Å |
| 23 | K | 72.3 | Confident | 66 | Low | 137 Ų | 137 | 113.5 Ų | 113.5 | 60% | 0.596 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.3 | -41.9 | 171.4 | -79.6 | 172.1 | -176.8 | 162.7 | 0 | 112.5 | E19 A20 R25 A26 Q27 | E19-K23 WeakPolarHBondContact O-CB 3.02Å; E19-K23 VanDerWaalsContact O-CG 3.3Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 3.01Å; A20-K23 PolarHBondContact O-N 3.03Å; K23-R25 VanDerWaalsContact C-N 3.34Å; K23-A26 PolarHBondContact O-N 3.22Å; K23-Q27 WeakPolarHBondContact O-CG 3.46Å; K23-Q27 PolarHBondContact O-N 3.27Å |
| 24 | L | 71.2 | Confident | 64.7 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.5 | -36.2 | 175.8 | -82.9 | 161.6 | 0 | 0 | 0 | 112.1 | A20 E21 Q27 K28 | A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 WeakPolarHBondContact O-CG 3.45Å; A20-L24 PolarHBondContact O-N 3.15Å; E21-L24 PolarHBondContact O-N 2.7Å; L24-Q27 PolarHBondContact O-N 2.82Å; L24-K28 PolarHBondContact O-N 3.14Å |
| 25 | R | 68.6 | Low | 63.3 | Low | 202 Ų | 202 | 121.1 Ų | 121.1 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.6 | -37.7 | 177.4 | -148.9 | 175 | -171.1 | -177.8 | 2.9 | 111.9 | E21 E22 K23 Q27 K28 S29 | E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.39Å; E22-R25 PolarHBondContact O-N 3.36Å; K23-R25 VanDerWaalsContact C-N 3.34Å; R25-Q27 VanDerWaalsContact C-N 3.34Å; R25-K28 PolarHBondContact O-N 2.91Å; R25-S29 PolarHBondContact O-N 3.28Å; R25-S29 PolarHBondContact O-OG 2.98Å |
| 26 | A | 64.6 | Low | 62.2 | Low | 58 Ų | 58 | 118 Ų | 118 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.7 | -32.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E22 K23 S29 | E22-A26 VanDerWaalsContact O-CB 3.32Å; E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 2.98Å; K23-A26 PolarHBondContact O-N 3.22Å; A26-S29 PolarHBondContact O-OG 3.44Å; A26-S29 VanDerWaalsContact O-OG 3.14Å |
| 27 | Q | 61.8 | Low | 61.3 | Low | 148 Ų | 148 | 116.9 Ų | 116.9 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71 | -37.1 | 171 | -80.7 | -174.1 | -21.7 | 0 | 0 | 112.6 | K23 L24 R25 | K23-Q27 WeakPolarHBondContact O-CG 3.46Å; K23-Q27 PolarHBondContact O-N 3.27Å; L24-Q27 PolarHBondContact O-N 2.82Å; R25-Q27 VanDerWaalsContact C-N 3.34Å |
| 28 | K | 57.2 | Low | 60.5 | Low | 159 Ų | 159 | 121.2 Ų | 121.2 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.6 | -28.4 | 177 | -82.7 | -179.2 | 175.9 | 177.2 | 0 | 113.8 | L24 R25 H30 S31 | L24-K28 PolarHBondContact O-N 3.14Å; R25-K28 PolarHBondContact O-N 2.91Å; K28-H30 PolarHBondContact O-N 3.33Å; K28-S31 PolarHBondContact O-N 2.86Å; K28-S31 PolarHBondContact O-OG 3.29Å |
| 29 | S | 52.2 | Low | 60.3 | Low | 86 Ų | 86 | 125.1 Ų | 125.1 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -4 | 178.4 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | R25 A26 | R25-S29 PolarHBondContact O-N 3.28Å; R25-S29 PolarHBondContact O-OG 2.98Å; A26-S29 PolarHBondContact O-OG 3.44Å; A26-S29 VanDerWaalsContact O-OG 3.14Å |
| 30 | H | 53.2 | Low | 60.4 | Low | 172 Ų | 172 | 127.8 Ų | 127.8 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 5.1 | 173.3 | -103.7 | 55.6 | 0 | 0 | 0 | 114.5 | K28 | K28-H30 PolarHBondContact O-N 3.33Š|
| 31 | S | 51.1 | Low | 60.9 | Low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | trans | -104.5 | 34.9 | -176.7 | 81.3 | 0 | 0 | 0 | 0 | 115 | K28 | K28-S31 PolarHBondContact O-N 2.86Å; K28-S31 PolarHBondContact O-OG 3.29Å | ||
| 32 | T | 50.1 | Low | 61.5 | Low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | trans | -98 | 82.8 | 155.9 | 53.7 | 0 | 0 | 0 | 0 | 108 | L34 | T32-L34 PolarHBondContact O-N 3Š| ||
| 33 | A | 46 | Very low | 62.2 | Low | 88 Ų | 88 | 120.4 Ų | 120.4 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | trans | -62.3 | 102.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | V35 | A33-V35 VanDerWaalsContact C-N 3.32Å; A33-V35 PolarHBondContact O-N 3.47Å | ||
| 34 | L | 45.3 | Very low | 62.8 | Low | 171 Ų | 171 | 122.6 Ų | 122.6 | 90% | 0.895 | 65% | 0.649 | S | S | * | * | trans | -60.9 | 102.4 | 155.4 | -76.3 | 165.6 | 0 | 0 | 0 | 106.1 | T32 A36 | T32-L34 PolarHBondContact O-N 3Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 2.95Å | ||
| 35 | V | 43.7 | Very low | 63.5 | Low | 132 Ų | 132 | 120.3 Ų | 120.3 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | trans | -66.5 | 93.2 | 171 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | A33 S37 | A33-V35 VanDerWaalsContact C-N 3.32Å; A33-V35 PolarHBondContact O-N 3.47Å; V35-S37 PolarHBondContact O-N 3.3Å | ||
| 36 | A | 49.3 | Very low | 64.3 | Low | 86 Ų | 86 | 117.5 Ų | 117.5 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -61.7 | 108 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | L34 R38 | L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 2.95Å; A36-R38 PolarHBondContact O-N 2.96Å | ||
| 37 | S | 52.8 | Low | 65.3 | Low | 103 Ų | 103 | 116.7 Ų | 116.7 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | trans | -59.2 | 103.1 | 171.3 | 56.7 | 0 | 0 | 0 | 0 | 107.8 | V35 R39 | V35-S37 PolarHBondContact O-N 3.3Å; S37-R39 PolarHBondContact O-N 2.84Å; S37-R39 VanDerWaalsContact O-N 3.11Å | ||
| 38 | R | 58.5 | Low | 66.2 | Low | 189 Ų | 189 | 119.2 Ų | 119.2 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | trans | -58.1 | 117.5 | 171.8 | -78.4 | 179.8 | 159.4 | -157.1 | -11.2 | 107.5 | A36 E40 | A36-R38 PolarHBondContact O-N 2.96Å; R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 HydrophobicContact CB-CG 4.26Å; R38-E40 PolarHBondContact O-N 2.8Å | ||
| 39 | R | 68.1 | Low | 67.4 | Low | 170 Ų | 170 | 115.8 Ų | 115.8 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | trans | -72.1 | 93.8 | 166.7 | -82.7 | -176.8 | 173.6 | 179.5 | 1.5 | 107.2 | S37 | S37-R39 PolarHBondContact O-N 2.84Å; S37-R39 VanDerWaalsContact O-N 3.11Å | ||
| 40 | E | 79.3 | Confident | 69.1 | Low | 149 Ų | 149 | 114.7 Ų | 114.7 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 136.3 | 175 | -67.4 | -175.2 | 175 | 0 | 0 | 109.9 | R38 | R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 HydrophobicContact CB-CG 4.26Å; R38-E40 PolarHBondContact O-N 2.8Å |
| 41 | P | 85.7 | Confident | 70.8 | Confident | 33 Ų | 33 | 109.3 Ų | 109.3 | 21% | 0.214 | 61% | 0.61 | C | S | . | * | P | Polyproline II helix | trans | -64.7 | 147.1 | 176.7 | 27 | -34.1 | 0 | 0 | 0 | 110.3 | W50 F64 | P41-W50 HydrophobicContact CB-CH2 3.41Å; P41-W50 VanDerWaalsContact CB-CH2 3.41Å; P41-W50 HydrophobicContact CB-CZ2 3.98Å; P41-W50 HydrophobicContact CB-CZ3 4.07Å; P41-F64 HydrophobicContact CB-CE2 4.24Å; P41-F64 HydrophobicContact CB-CZ 3.72Å; P41-F64 HydrophobicContact CG-CZ 3.97Å |
| 42 | P | 87.3 | Confident | 72.6 | Confident | 36 Ų | 36 | 105.3 Ų | 105.3 | 23% | 0.234 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -53.8 | 146.9 | 173.2 | -22.1 | 31.3 | 0 | 0 | 0 | 110.8 | H46 R47 W50 | P42-H46 HydrophobicContact CB-CB 4.31Å; P42-R47 HydrophobicContact CB-CG 3.96Å; P42-R47 HydrophobicContact CG-CG 4.47Å; P42-R47 PolarHBondContact O-NE 3.37Å; P42-R47 PolarHBondContact O-NH2 3.07Å; P42-R47 VanDerWaalsContact O-NH2 3.15Å; P42-W50 HydrophobicContact CG-CD2 3.96Å; P42-W50 HydrophobicContact CG-CE3 4.27Å; P42-W50 HydrophobicContact CG-CG 4.09Å |
| 43 | P | 87.3 | Confident | 74.3 | Confident | 87 Ų | 87 | 110 Ų | 110 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 162 | 177 | 26.7 | -33.8 | 0 | 0 | 0 | 111.3 | G45 H46 | P43-G45 PolarHBondContact O-N 2.86Å; P43-H46 HydrophobicContact CG-CB 4.33Å; P43-H46 PolarHBondContact O-N 2.87Å |
| 44 | Y | 86.2 | Confident | 76.2 | Confident | 182 Ų | 182 | 108 Ų | 108 | 71% | 0.714 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 139.2 | 176.6 | -177.5 | -109.5 | 0 | 0 | 0 | 111.1 | H46 | Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.27Å |
| 45 | G | 84.2 | Confident | 78.2 | Confident | 55 Ų | 55 | 104.3 Ų | 104.3 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -21.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P43 | P43-G45 PolarHBondContact O-N 2.86Š|
| 46 | H | 86.1 | Confident | 80.2 | Confident | 143 Ų | 143 | 104.6 Ų | 104.6 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | trans | -107.7 | 16.3 | -178.6 | -61.5 | 83.9 | 0 | 0 | 0 | 113.6 | P42 P43 Y44 | P42-H46 HydrophobicContact CB-CB 4.31Å; P43-H46 HydrophobicContact CG-CB 4.33Å; P43-H46 PolarHBondContact O-N 2.87Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.27Å | ||
| 47 | R | 85 | Confident | 82.1 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 16% | 0.155 | 51% | 0.511 | C | S | . | . | trans | -97.1 | 6.9 | -176.3 | -67.6 | 167.9 | -177.4 | 160.2 | 2.4 | 114.3 | P42 G49 W50 F64 E66 | P42-R47 HydrophobicContact CB-CG 3.96Å; P42-R47 HydrophobicContact CG-CG 4.47Å; P42-R47 PolarHBondContact O-NE 3.37Å; P42-R47 PolarHBondContact O-NH2 3.07Å; P42-R47 VanDerWaalsContact O-NH2 3.15Å; R47-G49 PolarHBondContact O-N 3.08Å; R47-W50 HydrophobicContact CB-CE3 4.15Å; R47-W50 HydrophobicContact CG-CE3 3.91Å; R47-W50 HydrophobicContact CG-CZ3 4.2Å; R47-W50 PolarHBondContact O-N 2.93Å; R47-F64 VanDerWaalsContact NH1-CE1 3.34Å; R47-F64 VanDerWaalsContact NH2-CE1 3.33Å; R47-E66 WeakPolarHBondContact CD-OE1 3.43Å; R47-E66 IonicContact CZ-OE1 3.7Å; R47-E66 IonicContact NE-OE1 3.76Å; R47-E66 IonicContact NH1-OE1 3.55Å; R47-E66 PolarHBondContact NH1-OE1 3.48Å | ||
| 48 | K | 82.3 | Confident | 83.8 | Confident | 201 Ų | 201 | 97.2 Ų | 97.2 | 87% | 0.874 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 121.4 | 178.5 | -70.6 | -172.3 | 178.3 | -178.4 | 0 | 110 | W50 | K48-W50 VanDerWaalsContact C-N 3.29Å; K48-W50 PolarHBondContact O-N 3.32Å |
| 49 | G | 82.6 | Confident | 85.1 | Confident | 86 Ų | 86 | 90.1 Ų | 90.1 | 89% | 0.887 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -2.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | R47 | R47-G49 PolarHBondContact O-N 3.08Š|
| 50 | W | 87.6 | Confident | 85.9 | Confident | 63 Ų | 63 | 89.5 Ų | 89.5 | 24% | 0.239 | 47% | 0.474 | C | S | . | . | trans | -94.8 | 136.5 | 172.8 | 176.8 | 74.8 | 0 | 0 | 0 | 109.7 | P41 P42 R47 K48 P52 D57 F64 I67 | P41-W50 HydrophobicContact CB-CH2 3.41Å; P41-W50 VanDerWaalsContact CB-CH2 3.41Å; P41-W50 HydrophobicContact CB-CZ2 3.98Å; P41-W50 HydrophobicContact CB-CZ3 4.07Å; P42-W50 HydrophobicContact CG-CD2 3.96Å; P42-W50 HydrophobicContact CG-CE3 4.27Å; P42-W50 HydrophobicContact CG-CG 4.09Å; R47-W50 HydrophobicContact CB-CE3 4.15Å; R47-W50 HydrophobicContact CG-CE3 3.91Å; R47-W50 HydrophobicContact CG-CZ3 4.2Å; R47-W50 PolarHBondContact O-N 2.93Å; K48-W50 VanDerWaalsContact C-N 3.29Å; K48-W50 PolarHBondContact O-N 3.32Å; W50-P52 HydrophobicContact CH2-CB 4.08Å; W50-P52 HydrophobicContact CH2-CG 4.42Å; W50-P52 HydrophobicContact CZ2-CB 4.25Å; W50-D57 VanDerWaalsContact CH2-O 3.26Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4.12Å; W50-D57 WeakPolarHBondContact CZ2-O 3.3Å; W50-F64 HydrophobicContact CH2-CD2 4.02Å; W50-F64 AromaticContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CE2 3.44Å; W50-F64 VanDerWaalsContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CZ 4.11Å; W50-F64 AromaticContact CZ3-CD2 3.59Å; W50-F64 HydrophobicContact CZ3-CD2 3.59Å; W50-F64 AromaticContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CE2 3.46Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CG 4.39Å; W50-F64 HydrophobicContact CZ3-CZ 4.15Å; W50-I67 HydrophobicContact CE3-CD1 3.69Å; W50-I67 HydrophobicContact CZ3-CD1 3.88Å; W50-I67 WeakPolarHBondContact O-CD1 3.31Å | ||
| 51 | V | 88.8 | Confident | 86.2 | Confident | 59 Ų | 59 | 83.8 Ų | 83.8 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | trans | -134.2 | 115.7 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | I67 V69 | V51-I67 HydrophobicContact CG2-CG2 4.3Å; V51-V69 HydrophobicContact CG1-CB 4.39Å; V51-V69 HydrophobicContact CG1-CG1 4.38Å; V51-V69 HydrophobicContact CG1-CG2 4.15Å | ||
| 52 | P | 88.3 | Confident | 86.3 | Confident | 9 Ų | 9 | 84.2 Ų | 84.2 | 6% | 0.058 | 47% | 0.466 | C | S | . | . | trans | -71 | 131.3 | 176.7 | 30.5 | -35.6 | 0 | 0 | 0 | 110.2 | W50 D57 F58 F64 I67 Q71 | W50-P52 HydrophobicContact CH2-CB 4.08Å; W50-P52 HydrophobicContact CH2-CG 4.42Å; W50-P52 HydrophobicContact CZ2-CB 4.25Å; P52-D57 HydrophobicContact CB-CB 3.59Å; P52-F58 HydrophobicContact CB-CD1 4.05Å; P52-F58 HydrophobicContact CB-CE1 3.51Å; P52-F58 HydrophobicContact CB-CE2 4.25Å; P52-F58 HydrophobicContact CB-CZ 3.62Å; P52-F58 HydrophobicContact CG-CD1 4.22Å; P52-F58 HydrophobicContact CG-CE1 3.4Å; P52-F58 HydrophobicContact CG-CZ 3.75Å; P52-F64 HydrophobicContact CG-CD2 4.14Å; P52-F64 HydrophobicContact CG-CE2 4.49Å; P52-I67 HydrophobicContact CG-CD1 4.4Å; P52-Q71 HydrophobicContact CG-CG 3.96Å | ||
| 53 | R | 85.4 | Confident | 86.5 | Confident | 227 Ų | 227 | 85.1 Ų | 85.1 | 86% | 0.857 | 48% | 0.476 | S | S | * | . | trans | -120.9 | -30.3 | -178.7 | -67.4 | -175.3 | 179.2 | -173.5 | 0.2 | 112.8 | D57 | R53-D57 PolarHBondContact N-OD2 3.31Š| ||
| 54 | S | 86.8 | Confident | 86.7 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 32% | 0.322 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -105.4 | 164.2 | 179.7 | 71 | 0 | 0 | 0 | 0 | 111.3 | E56 D57 F58 | S54-E56 PolarHBondContact O-N 2.84Å; S54-D57 PolarHBondContact N-OD2 3.38Å; S54-D57 PolarHBondContact O-N 3.11Å; S54-D57 PolarHBondContact OG-N 3.2Å; S54-D57 PolarHBondContact OG-OD1 3Å; S54-D57 PolarHBondContact OG-OD2 3.12Å; S54-F58 WeakPolarHBondContact O-CD2 3.39Å; S54-F58 VanDerWaalsContact O-CE2 3.26Å; S54-F58 WeakPolarHBondContact O-CE2 3.32Å |
| 55 | L | 86.3 | Confident | 86.9 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -64.4 | -29.8 | 176 | -69.9 | 168.8 | 0 | 0 | 0 | 112 | D57 | L55-D57 VanDerWaalsContact C-N 3.34Š|
| 56 | E | 87.3 | Confident | 87.2 | Confident | 139 Ų | 139 | 79 Ų | 79 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -72.1 | -27.6 | -179.4 | -62.5 | 177.5 | -176.6 | 0 | 0 | 112.5 | S54 F58 G59 | S54-E56 PolarHBondContact O-N 2.84Å; E56-F58 PolarHBondContact O-N 3.45Å; E56-F58 VanDerWaalsContact O-N 3.08Å; E56-G59 PolarHBondContact O-N 3.25Å; E56-G59 VanDerWaalsContact O-N 3.07Å |
| 57 | D | 88.4 | Confident | 87.3 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.112 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -65.1 | -13.9 | 179.9 | -61.8 | -36.3 | 0 | 0 | 0 | 112.8 | W50 P52 R53 S54 L55 | W50-D57 VanDerWaalsContact CH2-O 3.26Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4.12Å; W50-D57 WeakPolarHBondContact CZ2-O 3.3Å; P52-D57 HydrophobicContact CB-CB 3.59Å; R53-D57 PolarHBondContact N-OD2 3.31Å; S54-D57 PolarHBondContact N-OD2 3.38Å; S54-D57 PolarHBondContact O-N 3.11Å; S54-D57 PolarHBondContact OG-N 3.2Å; S54-D57 PolarHBondContact OG-OD1 3Å; S54-D57 PolarHBondContact OG-OD2 3.12Å; L55-D57 VanDerWaalsContact C-N 3.34Å |
| 58 | F | 87.5 | Confident | 87.6 | Confident | 12 Ų | 12 | 79.7 Ų | 79.7 | 5% | 0.053 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -92 | -3.3 | 177.8 | -57.6 | -73.2 | 0 | 0 | 0 | 113.3 | P52 S54 E56 D60 G61 G62 F64 Q71 P73 | P52-F58 HydrophobicContact CB-CD1 4.05Å; P52-F58 HydrophobicContact CB-CE1 3.51Å; P52-F58 HydrophobicContact CB-CE2 4.25Å; P52-F58 HydrophobicContact CB-CZ 3.62Å; P52-F58 HydrophobicContact CG-CD1 4.22Å; P52-F58 HydrophobicContact CG-CE1 3.4Å; P52-F58 HydrophobicContact CG-CZ 3.75Å; S54-F58 WeakPolarHBondContact O-CD2 3.39Å; S54-F58 VanDerWaalsContact O-CE2 3.26Å; S54-F58 WeakPolarHBondContact O-CE2 3.32Å; E56-F58 PolarHBondContact O-N 3.45Å; E56-F58 VanDerWaalsContact O-N 3.08Å; F58-D60 PolarHBondContact O-N 2.93Å; F58-G61 PolarHBondContact O-N 3.2Å; F58-G61 VanDerWaalsContact O-O 3.14Å; F58-G62 WeakPolarHBondContact CD1-O 3.26Å; F58-F64 HydrophobicContact CD1-CD2 4.31Å; F58-F64 AromaticContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CE1-CD2 4.45Å; F58-F64 HydrophobicContact CE1-CE2 4.34Å; F58-Q71 HydrophobicContact CE1-CB 3.92Å; F58-Q71 HydrophobicContact CE1-CG 4.05Å; F58-Q71 HydrophobicContact CZ-CB 3.9Å; F58-Q71 HydrophobicContact CZ-CG 4.15Å; F58-P73 HydrophobicContact CD1-CG 4.04Å; F58-P73 HydrophobicContact CD2-CB 4.42Å; F58-P73 HydrophobicContact CD2-CG 4.38Å; F58-P73 HydrophobicContact CE1-CG 4.14Å; F58-P73 HydrophobicContact CE2-CG 4.49Å; F58-P73 HydrophobicContact CG-CB 4.37Å; F58-P73 HydrophobicContact CG-CG 4.16Å; F58-P73 HydrophobicContact CZ-CG 4.37Å |
| 59 | G | 86.4 | Confident | 87.9 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -117.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E56 G61 | E56-G59 PolarHBondContact O-N 3.25Å; E56-G59 VanDerWaalsContact O-N 3.07Å; G59-G61 PolarHBondContact O-N 3.07Å |
| 60 | D | 84.4 | Confident | 88.2 | Confident | 157 Ų | 157 | 73.3 Ų | 73.3 | 84% | 0.84 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 6.8 | 174.4 | -77.1 | -17.5 | 0 | 0 | 0 | 113.4 | F58 | F58-D60 PolarHBondContact O-N 2.93Š|
| 61 | G | 86.4 | Confident | 88.4 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | trans | 109.1 | -166.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F58 G59 | F58-G61 PolarHBondContact O-N 3.2Å; F58-G61 VanDerWaalsContact O-O 3.14Å; G59-G61 PolarHBondContact O-N 3.07Å | ||
| 62 | G | 88.3 | Confident | 88.5 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | trans | 89.4 | 139.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F58 P73 | F58-G62 WeakPolarHBondContact CD1-O 3.26Å; G62-P73 VanDerWaalsContact C-CG 3.5Å; G62-P73 WeakPolarHBondContact O-CG 3.48Å | ||
| 63 | A | 91.8 | Very high | 88.6 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 45% | 0.446 | 41% | 0.41 | S | S | . | . | trans | -98.2 | 141.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P65 Q71 P73 | A63-P65 VanDerWaalsContact O-CD 3.31Å; A63-P65 WeakPolarHBondContact O-CD 3.32Å; A63-Q71 HydrophobicContact CB-CB 3.9Å; A63-P73 HydrophobicContact CB-CG 4Å | ||
| 64 | F | 91 | Very high | 88.8 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 7% | 0.07 | 41% | 0.405 | C | S | . | . | trans | -92.9 | 106.7 | -176.9 | -54.3 | -64.8 | 0 | 0 | 0 | 110.3 | P41 R47 W50 P52 F58 E66 I67 Q71 | P41-F64 HydrophobicContact CB-CE2 4.24Å; P41-F64 HydrophobicContact CB-CZ 3.72Å; P41-F64 HydrophobicContact CG-CZ 3.97Å; R47-F64 VanDerWaalsContact NH1-CE1 3.34Å; R47-F64 VanDerWaalsContact NH2-CE1 3.33Å; W50-F64 HydrophobicContact CH2-CD2 4.02Å; W50-F64 AromaticContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CE2 3.44Å; W50-F64 VanDerWaalsContact CH2-CE2 3.44Å; W50-F64 HydrophobicContact CH2-CZ 4.11Å; W50-F64 AromaticContact CZ3-CD2 3.59Å; W50-F64 HydrophobicContact CZ3-CD2 3.59Å; W50-F64 AromaticContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CE2 3.46Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.46Å; W50-F64 HydrophobicContact CZ3-CG 4.39Å; W50-F64 HydrophobicContact CZ3-CZ 4.15Å; P52-F64 HydrophobicContact CG-CD2 4.14Å; P52-F64 HydrophobicContact CG-CE2 4.49Å; F58-F64 HydrophobicContact CD1-CD2 4.31Å; F58-F64 AromaticContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CD1-CE2 3.8Å; F58-F64 HydrophobicContact CE1-CD2 4.45Å; F58-F64 HydrophobicContact CE1-CE2 4.34Å; F64-E66 PolarHBondContact O-N 3.45Å; F64-I67 HydrophobicContact CB-CD1 3.8Å; F64-I67 HydrophobicContact CB-CG1 4.03Å; F64-I67 HydrophobicContact CD2-CD1 4.04Å; F64-I67 HydrophobicContact CG-CD1 4.23Å; F64-I67 PolarHBondContact O-N 3.12Å; F64-I67 VanDerWaalsContact O-N 3.11Å; F64-Q71 PolarHBondContact O-NE2 2.98Å | ||
| 65 | P | 90.5 | Very high | 88.9 | Confident | 111 Ų | 111 | 71.6 Ų | 71.6 | 72% | 0.721 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.8 | -175.8 | 27.4 | -35.5 | 0 | 0 | 0 | 113 | A63 I67 | A63-P65 VanDerWaalsContact O-CD 3.31Å; A63-P65 WeakPolarHBondContact O-CD 3.32Å; P65-I67 PolarHBondContact O-N 3.44Å |
| 66 | E | 89.6 | Confident | 89 | Confident | 69 Ų | 69 | 72.9 Ų | 72.9 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.7 | 175.6 | 66.8 | -87.3 | -160.3 | 0 | 0 | 113.9 | R47 F64 | R47-E66 WeakPolarHBondContact CD-OE1 3.43Å; R47-E66 IonicContact CZ-OE1 3.7Å; R47-E66 IonicContact NE-OE1 3.76Å; R47-E66 IonicContact NH1-OE1 3.55Å; R47-E66 PolarHBondContact NH1-OE1 3.48Å; F64-E66 PolarHBondContact O-N 3.45Å |
| 67 | I | 89.1 | Confident | 89 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 8% | 0.077 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -102.2 | 107.1 | 176.6 | -52.9 | 173.7 | 0 | 0 | 0 | 107.9 | W50 V51 P52 F64 P65 V69 Q71 | W50-I67 HydrophobicContact CE3-CD1 3.69Å; W50-I67 HydrophobicContact CZ3-CD1 3.88Å; W50-I67 WeakPolarHBondContact O-CD1 3.31Å; V51-I67 HydrophobicContact CG2-CG2 4.3Å; P52-I67 HydrophobicContact CG-CD1 4.4Å; F64-I67 HydrophobicContact CB-CD1 3.8Å; F64-I67 HydrophobicContact CB-CG1 4.03Å; F64-I67 HydrophobicContact CD2-CD1 4.04Å; F64-I67 HydrophobicContact CG-CD1 4.23Å; F64-I67 PolarHBondContact O-N 3.12Å; F64-I67 VanDerWaalsContact O-N 3.11Å; P65-I67 PolarHBondContact O-N 3.44Å; I67-V69 HydrophobicContact CG2-CB 4.36Å; I67-V69 HydrophobicContact CG2-CG2 4.35Å; I67-V69 PolarHBondContact O-N 2.8Å; I67-Q71 PolarHBondContact O-NE2 3.39Å |
| 68 | H | 90 | Very high | 89.1 | Confident | 184 Ų | 184 | 74.9 Ų | 74.9 | 85% | 0.852 | 44% | 0.441 | S | S | * | . | trans | -77.8 | 52.2 | -174.7 | -61.9 | -174.7 | 0 | 0 | 0 | 113 | ||||
| 69 | V | 89.8 | Confident | 89.2 | Confident | 78 Ų | 78 | 84.5 Ų | 84.5 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -128.6 | 144.3 | 174.2 | 177.5 | 0 | 0 | 0 | 0 | 107.9 | V51 I67 Q71 | V51-V69 HydrophobicContact CG1-CB 4.39Å; V51-V69 HydrophobicContact CG1-CG1 4.38Å; V51-V69 HydrophobicContact CG1-CG2 4.15Å; I67-V69 HydrophobicContact CG2-CB 4.36Å; I67-V69 HydrophobicContact CG2-CG2 4.35Å; I67-V69 PolarHBondContact O-N 2.8Å; V69-Q71 WeakPolarHBondContact O-CG 3.47Å; V69-Q71 PolarHBondContact O-N 3.33Å; V69-Q71 VanDerWaalsContact O-N 3.1Å; V69-Q71 PolarHBondContact O-NE2 3.1Å |
| 70 | A | 89.7 | Confident | 89.4 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | trans | -65.1 | 111.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | F72 | A70-F72 HydrophobicContact CB-CE1 4.47Å; A70-F72 HydrophobicContact CB-CE2 4Å; A70-F72 HydrophobicContact CB-CZ 3.74Å | ||
| 71 | Q | 90.6 | Very high | 89.7 | Confident | 25 Ų | 25 | 92.5 Ų | 92.5 | 12% | 0.117 | 50% | 0.499 | C | S | . | . | trans | -107.4 | 137.6 | -178.3 | -69 | 162.6 | 66 | 0 | 0 | 109.2 | P52 F58 A63 F64 I67 V69 | P52-Q71 HydrophobicContact CG-CG 3.96Å; F58-Q71 HydrophobicContact CE1-CB 3.92Å; F58-Q71 HydrophobicContact CE1-CG 4.05Å; F58-Q71 HydrophobicContact CZ-CB 3.9Å; F58-Q71 HydrophobicContact CZ-CG 4.15Å; A63-Q71 HydrophobicContact CB-CB 3.9Å; F64-Q71 PolarHBondContact O-NE2 2.98Å; I67-Q71 PolarHBondContact O-NE2 3.39Å; V69-Q71 WeakPolarHBondContact O-CG 3.47Å; V69-Q71 PolarHBondContact O-N 3.33Å; V69-Q71 VanDerWaalsContact O-N 3.1Å; V69-Q71 PolarHBondContact O-NE2 3.1Å | ||
| 72 | F | 91.1 | Very high | 89.9 | Confident | 67 Ų | 67 | 98.4 Ų | 98.4 | 29% | 0.294 | 53% | 0.53 | S | S | . | . | trans | -129.9 | 68.6 | -176.2 | -52.1 | -70.8 | 0 | 0 | 0 | 111.7 | A70 L74 E75 M76 R78 | A70-F72 HydrophobicContact CB-CE1 4.47Å; A70-F72 HydrophobicContact CB-CE2 4Å; A70-F72 HydrophobicContact CB-CZ 3.74Å; F72-L74 PolarHBondContact O-N 3.08Å; F72-E75 PolarHBondContact O-N 3.4Å; F72-E75 VanDerWaalsContact O-N 3.08Å; F72-M76 WeakPolarHBondContact CB-O 3.12Å; F72-M76 WeakPolarHBondContact CD1-O 3.21Å; F72-R78 HydrophobicContact CB-CG 4.1Å; F72-R78 HydrophobicContact CD1-CG 3.86Å; F72-R78 HydrophobicContact CD2-CG 4.03Å; F72-R78 HydrophobicContact CE1-CG 4.23Å; F72-R78 HydrophobicContact CE2-CG 4.4Å; F72-R78 HydrophobicContact CG-CG 3.72Å; F72-R78 HydrophobicContact CZ-CG 4.47Å | ||
| 73 | P | 90.7 | Very high | 90.1 | Very high | 21 Ų | 21 | 100.6 Ų | 100.6 | 14% | 0.136 | 54% | 0.538 | C | S | . | . | G | 310 helix | trans | -54.9 | 135.5 | 171.4 | -19.6 | 30.6 | 0 | 0 | 0 | 110.2 | F58 G62 A63 E75 M76 | F58-P73 HydrophobicContact CD1-CG 4.04Å; F58-P73 HydrophobicContact CD2-CB 4.42Å; F58-P73 HydrophobicContact CD2-CG 4.38Å; F58-P73 HydrophobicContact CE1-CG 4.14Å; F58-P73 HydrophobicContact CE2-CG 4.49Å; F58-P73 HydrophobicContact CG-CB 4.37Å; F58-P73 HydrophobicContact CG-CG 4.16Å; F58-P73 HydrophobicContact CZ-CG 4.37Å; G62-P73 VanDerWaalsContact C-CG 3.5Å; G62-P73 WeakPolarHBondContact O-CG 3.48Å; A63-P73 HydrophobicContact CB-CG 4Å; P73-E75 PolarHBondContact O-N 3.05Å; P73-E75 VanDerWaalsContact O-N 3.09Å; P73-M76 WeakPolarHBondContact O-CB 3.49Å; P73-M76 WeakPolarHBondContact O-CG 3.36Å; P73-M76 PolarHBondContact O-N 3.46Å |
| 74 | L | 89.1 | Confident | 90.2 | Very high | 147 Ų | 147 | 106.7 Ų | 106.7 | 77% | 0.77 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | 52.3 | 29 | -176.1 | -61 | 169.1 | 0 | 0 | 0 | 114.1 | F72 M76 | F72-L74 PolarHBondContact O-N 3.08Å; L74-M76 HydrophobicContact CB-CG 4.21Å; L74-M76 PolarHBondContact O-N 3.09Å |
| 75 | E | 89.2 | Confident | 90.2 | Very high | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | 58.6 | 15 | -175.9 | -49.3 | -164.8 | 131.9 | 0 | 0 | 115.1 | F72 P73 R78 | F72-E75 PolarHBondContact O-N 3.4Å; F72-E75 VanDerWaalsContact O-N 3.08Å; P73-E75 PolarHBondContact O-N 3.05Å; P73-E75 VanDerWaalsContact O-N 3.09Å; E75-R78 IonicContact OE1-NH1 2.82Å; E75-R78 PolarHBondContact OE1-NH1 3.02Å |
| 76 | M | 88.6 | Confident | 90.3 | Very high | 121 Ų | 121 | 109.9 Ų | 109.9 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 141.4 | 178.4 | -66 | -66.6 | -77.7 | 0 | 0 | 110.2 | F72 P73 L74 R78 | F72-M76 WeakPolarHBondContact CB-O 3.12Å; F72-M76 WeakPolarHBondContact CD1-O 3.21Å; P73-M76 WeakPolarHBondContact O-CB 3.49Å; P73-M76 WeakPolarHBondContact O-CG 3.36Å; P73-M76 PolarHBondContact O-N 3.46Å; L74-M76 HydrophobicContact CB-CG 4.21Å; L74-M76 PolarHBondContact O-N 3.09Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 3.05Å |
| 77 | G | 86.8 | Confident | 90.4 | Very high | 72 Ų | 72 | 110.1 Ų | 110.1 | 74% | 0.742 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | -8.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 78 | R | 89.8 | Confident | 90.7 | Very high | 129 Ų | 129 | 114.8 Ų | 114.8 | 49% | 0.487 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -72 | 146.4 | 169.5 | -67.4 | -175.3 | 170.4 | -179 | -3.3 | 111 | F72 E75 M76 K80 | F72-R78 HydrophobicContact CB-CG 4.1Å; F72-R78 HydrophobicContact CD1-CG 3.86Å; F72-R78 HydrophobicContact CD2-CG 4.03Å; F72-R78 HydrophobicContact CE1-CG 4.23Å; F72-R78 HydrophobicContact CE2-CG 4.4Å; F72-R78 HydrophobicContact CG-CG 3.72Å; F72-R78 HydrophobicContact CZ-CG 4.47Å; E75-R78 IonicContact OE1-NH1 2.82Å; E75-R78 PolarHBondContact OE1-NH1 3.02Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 3.05Å; R78-K80 PolarHBondContact O-N 3.14Å; R78-K80 VanDerWaalsContact O-N 3.15Å |
| 79 | K | 90.4 | Very high | 90.9 | Very high | 215 Ų | 215 | 110.5 Ų | 110.5 | 94% | 0.935 | 61% | 0.608 | S | S | * | * | trans | -65.6 | 113.5 | 170.9 | -71.5 | -174.9 | 179 | 179.5 | 0 | 109.2 | ||||
| 80 | K | 89.6 | Confident | 91.1 | Very high | 168 Ų | 168 | 110.3 Ų | 110.3 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 153.4 | 177.1 | -62.3 | -173.7 | 178.9 | -176.4 | 0 | 110.6 | R78 | R78-K80 PolarHBondContact O-N 3.14Å; R78-K80 VanDerWaalsContact O-N 3.15Å |
| 81 | K | 91.3 | Very high | 91.3 | Very high | 197 Ų | 197 | 108.1 Ų | 108.1 | 86% | 0.857 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 151.6 | 169.5 | -64.8 | -178 | -178.4 | 178.7 | 0 | 109.6 | S83 | K81-S83 PolarHBondContact O-N 3.49Š|
| 82 | T | 91.6 | Very high | 91.5 | Very high | 152 Ų | 152 | 112.4 Ų | 112.4 | 93% | 0.933 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.2 | 171.5 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 83 | S | 91.9 | Very high | 91.6 | Very high | 90 Ų | 90 | 116.1 Ų | 116.1 | 63% | 0.629 | 64% | 0.643 | S | S | * | * | trans | -132.2 | 140.8 | -178 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | K81 A85 | K81-S83 PolarHBondContact O-N 3.49Å; S83-A85 PolarHBondContact O-N 3.4Å | ||
| 84 | N | 94.1 | Very high | 91.7 | Very high | 182 Ų | 182 | 117.8 Ų | 117.8 | 97% | 0.973 | 66% | 0.664 | S | S | * | * | trans | -80 | -1.6 | 174.6 | -65.6 | -17.6 | 0 | 0 | 0 | 113.2 | ||||
| 85 | A | 91.8 | Very high | 91.9 | Very high | 78 Ų | 78 | 116.7 Ų | 116.7 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -73.4 | 132.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S83 | S83-A85 PolarHBondContact O-N 3.4Š|
| 86 | L | 91.2 | Very high | 92.2 | Very high | 115 Ų | 115 | 115.2 Ų | 115.2 | 60% | 0.602 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 139.2 | 166.8 | -176.7 | 66.1 | 0 | 0 | 0 | 109 | V88 A100 | L86-V88 PolarHBondContact O-N 2.89Å; L86-A100 HydrophobicContact CD2-CB 3.98Å |
| 87 | A | 92.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 113.7 Ų | 113.7 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 132.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q89 | A87-Q89 PolarHBondContact O-N 2.78Š|
| 88 | V | 94.3 | Very high | 92.8 | Very high | 113 Ų | 113 | 118 Ų | 118 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | trans | -66.8 | 115.7 | 174 | -178 | 0 | 0 | 0 | 0 | 108.1 | L86 I96 | L86-V88 PolarHBondContact O-N 2.89Å; V88-I96 HydrophobicContact CG1-CG1 4.4Å; V88-I96 HydrophobicContact CG1-CG2 3.66Å | ||
| 89 | Q | 94.3 | Very high | 92.9 | Very high | 94 Ų | 94 | 112.9 Ų | 112.9 | 44% | 0.439 | 62% | 0.615 | S | S | . | * | trans | -98.9 | 149.7 | 179 | -63.2 | 178.4 | 3.5 | 0 | 0 | 109.9 | A87 K97 | A87-Q89 PolarHBondContact O-N 2.78Å; Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.09Å; Q89-K97 PolarHBondContact O-N 3Å | ||
| 90 | V | 95.3 | Very high | 93 | Very high | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | B | Isolated β-bridge | trans | -119.6 | 149.9 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | G94 K95 K97 | V90-G94 VanDerWaalsContact CG1-CA 3.41Å; V90-G94 WeakPolarHBondContact CG1-O 3.38Å; V90-K95 CarbonylContact C-O 3.58Å; V90-K95 WeakPolarHBondContact CA-O 3.46Å; V90-K95 WeakPolarHBondContact CG1-O 3.32Å; V90-K97 WeakPolarHBondContact O-CE 3.47Å; V90-K97 PolarHBondContact O-NZ 2.74Å; V90-K97 VanDerWaalsContact O-NZ 3.16Å |
| 91 | D | 92.8 | Very high | 93.2 | Very high | 29 Ų | 29 | 101.2 Ų | 101.2 | 16% | 0.155 | 57% | 0.572 | C | S | . | * | trans | -85.3 | 176.9 | 171.2 | 67.1 | 17.6 | 0 | 0 | 0 | 112.8 | E93 G94 K95 K97 | D91-E93 PolarHBondContact O-N 3.07Å; D91-E93 WeakPolarHBondContact OD1-CA 3.39Å; D91-E93 WeakPolarHBondContact OD1-CB 3.37Å; D91-E93 PolarHBondContact OD1-N 3.27Å; D91-G94 PolarHBondContact O-N 3.16Å; D91-G94 VanDerWaalsContact O-N 3.14Å; D91-G94 PolarHBondContact OD1-N 3.15Å; D91-K95 PolarHBondContact N-O 2.8Å; D91-K95 PolarHBondContact OD1-N 3.37Å; D91-K97 HydrophobicContact CB-CD 4.42Å; D91-K97 VanDerWaalsContact CB-CE 3.46Å; D91-K97 HydrophobicContact CB-CG 4.09Å | ||
| 92 | A | 95.2 | Very high | 93.2 | Very high | 114 Ų | 114 | 92.8 Ų | 92.8 | 94% | 0.942 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 93 | E | 93.3 | Very high | 93.3 | Very high | 146 Ų | 146 | 88.9 Ų | 88.9 | 68% | 0.682 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6 | 176.8 | -61.2 | 178.7 | -174.7 | 0 | 0 | 112.6 | D91 K95 | D91-E93 PolarHBondContact O-N 3.07Å; D91-E93 WeakPolarHBondContact OD1-CA 3.39Å; D91-E93 WeakPolarHBondContact OD1-CB 3.37Å; D91-E93 PolarHBondContact OD1-N 3.27Å; E93-K95 IonicContact OE2-NZ 3.49Å; E93-K95 PolarHBondContact OE2-NZ 3.18Å |
| 94 | G | 92.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 91.6 Ų | 91.6 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 88.6 | 6.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V90 D91 | V90-G94 VanDerWaalsContact CG1-CA 3.41Å; V90-G94 WeakPolarHBondContact CG1-O 3.38Å; D91-G94 PolarHBondContact O-N 3.16Å; D91-G94 VanDerWaalsContact O-N 3.14Å; D91-G94 PolarHBondContact OD1-N 3.15Å |
| 95 | K | 93.8 | Very high | 93.1 | Very high | 124 Ų | 124 | 86.5 Ų | 86.5 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | trans | -85.1 | 141.1 | 176 | -63.1 | 169.4 | -176.4 | 153.2 | 0 | 110.9 | V90 D91 E93 K97 | V90-K95 CarbonylContact C-O 3.58Å; V90-K95 WeakPolarHBondContact CA-O 3.46Å; V90-K95 WeakPolarHBondContact CG1-O 3.32Å; D91-K95 PolarHBondContact N-O 2.8Å; D91-K95 PolarHBondContact OD1-N 3.37Å; E93-K95 IonicContact OE2-NZ 3.49Å; E93-K95 PolarHBondContact OE2-NZ 3.18Å; K95-K97 PolarHBondContact O-N 3.02Å | ||
| 96 | I | 95.3 | Very high | 93.2 | Very high | 77 Ų | 77 | 84.9 Ų | 84.9 | 40% | 0.395 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -67 | 128.4 | 176.7 | -62.9 | 170.8 | 0 | 0 | 0 | 109.8 | V88 Y98 | V88-I96 HydrophobicContact CG1-CG1 4.4Å; V88-I96 HydrophobicContact CG1-CG2 3.66Å; I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 HydrophobicContact CB-CD2 4.34Å; I96-Y98 HydrophobicContact CB-CE2 3.82Å; I96-Y98 HydrophobicContact CG2-CD1 4.12Å; I96-Y98 HydrophobicContact CG2-CD2 4.2Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.89Å; I96-Y98 HydrophobicContact CG2-CG 4.31Å; I96-Y98 WeakPolarHBondContact O-CD2 3.31Å; I96-Y98 PolarHBondContact O-N 3.49Å |
| 97 | K | 94.3 | Very high | 93.3 | Very high | 88 Ų | 88 | 81.8 Ų | 81.8 | 38% | 0.383 | 48% | 0.475 | S | S | . | . | trans | -81 | 74.9 | 178.5 | -69.9 | 179.2 | 173.7 | 157.3 | 0 | 111.5 | Q89 V90 D91 K95 D99 A100 | Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.09Å; Q89-K97 PolarHBondContact O-N 3Å; V90-K97 WeakPolarHBondContact O-CE 3.47Å; V90-K97 PolarHBondContact O-NZ 2.74Å; V90-K97 VanDerWaalsContact O-NZ 3.16Å; D91-K97 HydrophobicContact CB-CD 4.42Å; D91-K97 VanDerWaalsContact CB-CE 3.46Å; D91-K97 HydrophobicContact CB-CG 4.09Å; K95-K97 PolarHBondContact O-N 3.02Å; K97-D99 PolarHBondContact O-N 3.19Å; K97-A100 WeakPolarHBondContact O-CB 3.45Å; K97-A100 PolarHBondContact O-N 3.49Å; K97-A100 VanDerWaalsContact O-N 3.13Å | ||
| 98 | Y | 94.3 | Very high | 93.3 | Very high | 163 Ų | 163 | 86.8 Ų | 86.8 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.9 | 170.4 | -62.3 | -70.4 | 0 | 0 | 0 | 112.9 | I96 A100 I101 | I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 HydrophobicContact CB-CD2 4.34Å; I96-Y98 HydrophobicContact CB-CE2 3.82Å; I96-Y98 HydrophobicContact CG2-CD1 4.12Å; I96-Y98 HydrophobicContact CG2-CD2 4.2Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.89Å; I96-Y98 HydrophobicContact CG2-CG 4.31Å; I96-Y98 WeakPolarHBondContact O-CD2 3.31Å; I96-Y98 PolarHBondContact O-N 3.49Å; Y98-A100 PolarHBondContact O-N 3.42Å; Y98-A100 VanDerWaalsContact O-N 3.13Å; Y98-I101 WeakPolarHBondContact O-CB 3.37Å; Y98-I101 PolarHBondContact O-N 3.17Å; Y98-I101 VanDerWaalsContact O-N 3.08Å |
| 99 | D | 92.5 | Very high | 93.2 | Very high | 22 Ų | 22 | 87.9 Ų | 87.9 | 12% | 0.118 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -59.3 | -20.3 | 173.9 | -165.1 | 25.6 | 0 | 0 | 0 | 113.6 | K97 I101 A102 R103 S114 | K97-D99 PolarHBondContact O-N 3.19Å; D99-I101 PolarHBondContact O-N 3.4Å; D99-A102 PolarHBondContact O-N 3.16Å; D99-A102 VanDerWaalsContact O-N 3.12Å; D99-R103 VanDerWaalsContact CG-NE 3.35Å; D99-R103 WeakPolarHBondContact O-CB 3.43Å; D99-R103 WeakPolarHBondContact O-CG 3.08Å; D99-R103 PolarHBondContact O-N 3.4Å; D99-R103 IonicContact OD1-NE 3.69Å; D99-R103 IonicContact OD2-CZ 2.69Å; D99-R103 VanDerWaalsContact OD2-CZ 3.27Å; D99-R103 IonicContact OD2-NE 2.74Å; D99-R103 PolarHBondContact OD2-NE 3.13Å; D99-R103 IonicContact OD2-NH2 3.88Å; D99-R103 PolarHBondContact OD2-NH2 3.46Å; D99-S114 WeakPolarHBondContact CB-OG 3.38Å; D99-S114 WeakPolarHBondContact OD1-CB 3.33Å; D99-S114 PolarHBondContact OD1-OG 2.96Å |
| 100 | A | 92.3 | Very high | 93.3 | Very high | 19 Ų | 19 | 87.9 Ų | 87.9 | 16% | 0.157 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -59.2 | -26.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L86 K97 Y98 Q104 | L86-A100 HydrophobicContact CD2-CB 3.98Å; K97-A100 WeakPolarHBondContact O-CB 3.45Å; K97-A100 PolarHBondContact O-N 3.49Å; K97-A100 VanDerWaalsContact O-N 3.13Å; Y98-A100 PolarHBondContact O-N 3.42Å; Y98-A100 VanDerWaalsContact O-N 3.13Å; A100-Q104 PolarHBondContact O-N 3.08Å |
| 101 | I | 93.1 | Very high | 93.2 | Very high | 118 Ų | 118 | 89.3 Ų | 89.3 | 61% | 0.605 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.8 | -48.4 | 174.6 | -59.5 | 172.4 | 0 | 0 | 0 | 110.2 | Y98 D99 R103 Q104 | Y98-I101 WeakPolarHBondContact O-CB 3.37Å; Y98-I101 PolarHBondContact O-N 3.17Å; Y98-I101 VanDerWaalsContact O-N 3.08Å; D99-I101 PolarHBondContact O-N 3.4Å; I101-R103 PolarHBondContact O-N 3.32Å; I101-Q104 VanDerWaalsContact O-CB 3.31Å; I101-Q104 WeakPolarHBondContact O-CB 3.46Å; I101-Q104 PolarHBondContact O-N 3.43Å |
| 102 | A | 92.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 89 Ų | 89 | 17% | 0.174 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.9 | -28.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D99 Q104 I112 P228 | D99-A102 PolarHBondContact O-N 3.16Å; D99-A102 VanDerWaalsContact O-N 3.12Å; A102-Q104 VanDerWaalsContact C-N 3.32Å; A102-I112 HydrophobicContact CB-CG2 4.41Å; A102-I112 WeakPolarHBondContact O-CD1 3.4Å; A102-P228 HydrophobicContact CB-CG 3.76Å |
| 103 | R | 91.9 | Very high | 93.3 | Very high | 70 Ų | 70 | 89.6 Ų | 89.6 | 26% | 0.264 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.1 | 178 | -69.9 | 174.1 | -175.9 | -83.7 | -13.4 | 114.5 | D99 I101 G105 Q106 K110 I112 | D99-R103 VanDerWaalsContact CG-NE 3.35Å; D99-R103 WeakPolarHBondContact O-CB 3.43Å; D99-R103 WeakPolarHBondContact O-CG 3.08Å; D99-R103 PolarHBondContact O-N 3.4Å; D99-R103 IonicContact OD1-NE 3.69Å; D99-R103 IonicContact OD2-CZ 2.69Å; D99-R103 VanDerWaalsContact OD2-CZ 3.27Å; D99-R103 IonicContact OD2-NE 2.74Å; D99-R103 PolarHBondContact OD2-NE 3.13Å; D99-R103 IonicContact OD2-NH2 3.88Å; D99-R103 PolarHBondContact OD2-NH2 3.46Å; I101-R103 PolarHBondContact O-N 3.32Å; R103-G105 PolarHBondContact O-N 3.38Å; R103-Q106 WeakPolarHBondContact O-CB 3.36Å; R103-Q106 PolarHBondContact O-N 3.13Å; R103-K110 PolarHBondContact NH1-O 2.64Å; R103-I112 HydrophobicContact CB-CD1 4.29Å; R103-I112 HydrophobicContact CG-CD1 3.7Å; R103-I112 HydrophobicContact CG-CG1 4.32Å; R103-I112 PolarHBondContact NH2-O 3.19Å |
| 104 | Q | 91.1 | Very high | 93.4 | Very high | 146 Ų | 146 | 84.5 Ų | 84.5 | 68% | 0.682 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 127.6 | -178.6 | -174.4 | 175 | 7.1 | 0 | 0 | 110.8 | A100 I101 A102 Q106 P225 | A100-Q104 PolarHBondContact O-N 3.08Å; I101-Q104 VanDerWaalsContact O-CB 3.31Å; I101-Q104 WeakPolarHBondContact O-CB 3.46Å; I101-Q104 PolarHBondContact O-N 3.43Å; A102-Q104 VanDerWaalsContact C-N 3.32Å; Q104-Q106 VanDerWaalsContact C-N 3.27Å; Q104-Q106 PolarHBondContact O-N 3.08Å; Q104-P225 WeakPolarHBondContact O-CG 3.31Å |
| 105 | G | 90.8 | Very high | 93.4 | Very high | 75 Ų | 75 | 86.5 Ų | 86.5 | 77% | 0.773 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 4.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R103 | R103-G105 PolarHBondContact O-N 3.38Š|
| 106 | Q | 94.1 | Very high | 93.4 | Very high | 45 Ų | 45 | 88.4 Ų | 88.4 | 21% | 0.21 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -104.2 | 158.1 | 174 | -56.9 | -60.8 | -30 | 0 | 0 | 111.3 | R103 Q104 K110 I112 P225 | R103-Q106 WeakPolarHBondContact O-CB 3.36Å; R103-Q106 PolarHBondContact O-N 3.13Å; Q104-Q106 VanDerWaalsContact C-N 3.27Å; Q104-Q106 PolarHBondContact O-N 3.08Å; Q106-K110 HydrophobicContact CB-CB 4.44Å; Q106-K110 HydrophobicContact CB-CD 3.95Å; Q106-K110 VanDerWaalsContact CD-NZ 3.3Å; Q106-K110 HydrophobicContact CG-CD 4Å; Q106-I112 HydrophobicContact CB-CD1 4.4Å; Q106-I112 HydrophobicContact CG-CD1 4Å; Q106-P225 VanDerWaalsContact NE2-CD 3.27Å |
| 107 | G | 93.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 89 Ų | 89 | 51% | 0.505 | 46% | 0.458 | S | S | . | . | trans | -64.3 | 145.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | D109 K110 | G107-D109 PolarHBondContact O-N 3.07Å; G107-D109 VanDerWaalsContact O-N 3.16Å; G107-K110 WeakPolarHBondContact O-CB 3.3Å; G107-K110 PolarHBondContact O-N 2.95Å | ||
| 108 | K | 91.8 | Very high | 93.3 | Very high | 180 Ų | 180 | 88.1 Ų | 88.1 | 78% | 0.783 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32.9 | 178.5 | 58.2 | 173.7 | -171.8 | 175.9 | 0 | 113.2 | ||
| 109 | D | 94 | Very high | 93.3 | Very high | 135 Ų | 135 | 83.6 Ų | 83.6 | 72% | 0.722 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.7 | -176.2 | -50.4 | -46.2 | 0 | 0 | 0 | 112.7 | G107 V111 | G107-D109 PolarHBondContact O-N 3.07Å; G107-D109 VanDerWaalsContact O-N 3.16Å; D109-V111 PolarHBondContact O-N 3.15Å |
| 110 | K | 94.7 | Very high | 93.3 | Very high | 95 Ų | 95 | 86.7 Ų | 86.7 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -71.9 | 120.2 | 176.7 | -172.1 | -176.1 | -172.6 | -176.2 | 0 | 109.1 | R103 Q106 G107 | R103-K110 PolarHBondContact NH1-O 2.64Å; Q106-K110 HydrophobicContact CB-CB 4.44Å; Q106-K110 HydrophobicContact CB-CD 3.95Å; Q106-K110 VanDerWaalsContact CD-NZ 3.3Å; Q106-K110 HydrophobicContact CG-CD 4Å; G107-K110 WeakPolarHBondContact O-CB 3.3Å; G107-K110 PolarHBondContact O-N 2.95Å |
| 111 | V | 93.9 | Very high | 93.4 | Very high | 104 Ų | 104 | 90.9 Ų | 90.9 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | trans | -73.9 | 130 | 177 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | D109 F113 | D109-V111 PolarHBondContact O-N 3.15Å; V111-F113 HydrophobicContact CG1-CE1 4.04Å; V111-F113 HydrophobicContact CG1-CZ 4.02Å | ||
| 112 | I | 94.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 94.6 Ų | 94.6 | 11% | 0.113 | 50% | 0.497 | C | S | . | . | trans | -131.6 | 129 | 173.4 | -54.9 | -177.4 | 0 | 0 | 0 | 106.5 | A102 R103 Q106 P228 | A102-I112 HydrophobicContact CB-CG2 4.41Å; A102-I112 WeakPolarHBondContact O-CD1 3.4Å; R103-I112 HydrophobicContact CB-CD1 4.29Å; R103-I112 HydrophobicContact CG-CD1 3.7Å; R103-I112 HydrophobicContact CG-CG1 4.32Å; R103-I112 PolarHBondContact NH2-O 3.19Å; Q106-I112 HydrophobicContact CB-CD1 4.4Å; Q106-I112 HydrophobicContact CG-CD1 4Å; I112-P228 HydrophobicContact CG2-CG 4.16Å | ||
| 113 | F | 95.6 | Very high | 92.9 | Very high | 128 Ų | 128 | 101.1 Ų | 101.1 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | trans | -89.2 | 125.2 | 173.8 | -58.4 | -65.5 | 0 | 0 | 0 | 108.9 | V111 D118 M230 | V111-F113 HydrophobicContact CG1-CE1 4.04Å; V111-F113 HydrophobicContact CG1-CZ 4.02Å; F113-D118 WeakPolarHBondContact CA-OD2 3.37Å; F113-D118 HydrophobicContact CB-CB 4.01Å; F113-D118 HydrophobicContact CD1-CB 3.85Å; F113-D118 HydrophobicContact CG-CB 4.28Å; F113-M230 HydrophobicContact CB-CE 4.44Å; F113-M230 HydrophobicContact CB-CG 4.5Å | ||
| 114 | S | 94.6 | Very high | 92.4 | Very high | 38 Ų | 38 | 102 Ų | 102 | 27% | 0.266 | 54% | 0.537 | S | S | . | . | trans | -146.2 | -9.3 | -176.7 | 65 | 0 | 0 | 0 | 0 | 113.1 | D99 D118 | D99-S114 WeakPolarHBondContact CB-OG 3.38Å; D99-S114 WeakPolarHBondContact OD1-CB 3.33Å; D99-S114 PolarHBondContact OD1-OG 2.96Å; S114-D118 PolarHBondContact N-OD2 2.7Å; S114-D118 VanDerWaalsContact N-OD2 3.15Å | ||
| 115 | K | 94.3 | Very high | 91.7 | Very high | 97 Ų | 97 | 102.8 Ų | 102.8 | 42% | 0.422 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -97 | 147.4 | -177.6 | -59.4 | -177.3 | -177.1 | -174.1 | 0 | 109.6 | T117 D118 M230 | K115-T117 VanDerWaalsContact CB-OG1 3.31Å; K115-T117 WeakPolarHBondContact CB-OG1 3.42Å; K115-T117 PolarHBondContact O-N 3.12Å; K115-D118 PolarHBondContact N-OD2 3.23Å; K115-D118 VanDerWaalsContact N-OD2 3.07Å; K115-D118 VanDerWaalsContact O-CB 3.3Å; K115-D118 WeakPolarHBondContact O-CB 3.31Å; K115-D118 PolarHBondContact O-N 3.4Å; K115-M230 WeakPolarHBondContact O-CE 3.39Å |
| 116 | Y | 92.9 | Very high | 91.3 | Very high | 164 Ų | 164 | 107 Ų | 107 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -59.6 | -28.4 | 173.1 | -179.6 | -102.6 | 0 | 0 | 0 | 112.6 | D118 L119 L120 | Y116-D118 PolarHBondContact O-N 3.34Å; Y116-D118 VanDerWaalsContact O-N 3.17Å; Y116-L119 HydrophobicContact CD2-CB 4.45Å; Y116-L119 HydrophobicContact CD2-CD1 3.98Å; Y116-L119 HydrophobicContact CE2-CD1 4.43Å; Y116-L119 WeakPolarHBondContact O-CB 3.49Å; Y116-L119 PolarHBondContact O-N 3.23Å; Y116-L120 HydrophobicContact CD1-CG 4.43Å; Y116-L120 HydrophobicContact CE1-CD1 4.28Å; Y116-L120 HydrophobicContact CE1-CD2 3.73Å; Y116-L120 HydrophobicContact CE1-CG 4.07Å; Y116-L120 PolarHBondContact O-N 3.39Å |
| 117 | T | 93.6 | Very high | 90.4 | Very high | 91 Ų | 91 | 112.2 Ų | 112.2 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -58.4 | -26.5 | 173 | 53 | 0 | 0 | 0 | 0 | 113.2 | K115 L119 | K115-T117 VanDerWaalsContact CB-OG1 3.31Å; K115-T117 WeakPolarHBondContact CB-OG1 3.42Å; K115-T117 PolarHBondContact O-N 3.12Å; T117-L119 VanDerWaalsContact C-N 3.32Å |
| 118 | D | 93.4 | Very high | 89.6 | Confident | 69 Ų | 69 | 116.5 Ų | 116.5 | 37% | 0.369 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -79.3 | -17.7 | 178.8 | -49.5 | -32 | 0 | 0 | 0 | 111.9 | F113 S114 K115 Y116 M230 | F113-D118 WeakPolarHBondContact CA-OD2 3.37Å; F113-D118 HydrophobicContact CB-CB 4.01Å; F113-D118 HydrophobicContact CD1-CB 3.85Å; F113-D118 HydrophobicContact CG-CB 4.28Å; S114-D118 PolarHBondContact N-OD2 2.7Å; S114-D118 VanDerWaalsContact N-OD2 3.15Å; K115-D118 PolarHBondContact N-OD2 3.23Å; K115-D118 VanDerWaalsContact N-OD2 3.07Å; K115-D118 VanDerWaalsContact O-CB 3.3Å; K115-D118 WeakPolarHBondContact O-CB 3.31Å; K115-D118 PolarHBondContact O-N 3.4Å; Y116-D118 PolarHBondContact O-N 3.34Å; Y116-D118 VanDerWaalsContact O-N 3.17Å; D118-M230 HydrophobicContact CB-CE 3.89Å |
| 119 | L | 93.9 | Very high | 89.1 | Confident | 67 Ų | 67 | 109.4 Ų | 109.4 | 35% | 0.351 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | -21.8 | 175.2 | -80.7 | 167.9 | 0 | 0 | 0 | 113.1 | Y116 T117 M230 | Y116-L119 HydrophobicContact CD2-CB 4.45Å; Y116-L119 HydrophobicContact CD2-CD1 3.98Å; Y116-L119 HydrophobicContact CE2-CD1 4.43Å; Y116-L119 WeakPolarHBondContact O-CB 3.49Å; Y116-L119 PolarHBondContact O-N 3.23Å; T117-L119 VanDerWaalsContact C-N 3.32Å; L119-M230 HydrophobicContact CD1-CE 4.09Å; L119-M230 HydrophobicContact CD2-CB 3.66Å; L119-M230 HydrophobicContact CD2-CE 4.33Å; L119-M230 WeakPolarHBondContact CD2-O 3.5Å; L119-M230 HydrophobicContact CG-CB 4.27Å; L119-M230 HydrophobicContact CG-CE 3.62Å; L119-M230 HydrophobicContact CG-SD 4.44Å |
| 120 | L | 93.7 | Very high | 88.5 | Confident | 87 Ų | 87 | 111.6 Ų | 111.6 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -69.8 | 130.5 | -177.3 | -67.3 | 175.4 | 0 | 0 | 0 | 109.4 | Y116 K122 | Y116-L120 HydrophobicContact CD1-CG 4.43Å; Y116-L120 HydrophobicContact CE1-CD1 4.28Å; Y116-L120 HydrophobicContact CE1-CD2 3.73Å; Y116-L120 HydrophobicContact CE1-CG 4.07Å; Y116-L120 PolarHBondContact O-N 3.39Å; L120-K122 PolarHBondContact O-N 3.22Å |
| 121 | P | 93.1 | Very high | 87.9 | Confident | 107 Ų | 107 | 116.1 Ų | 116.1 | 70% | 0.695 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -62 | 138.3 | 175.1 | 27.3 | -33.4 | 0 | 0 | 0 | 109.4 | ||
| 122 | K | 89.3 | Confident | 87.5 | Confident | 197 Ų | 197 | 116.6 Ų | 116.6 | 86% | 0.857 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 121.8 | 171.3 | -65.3 | -175.1 | 179.8 | -175.8 | 0 | 108.3 | L120 V124 | L120-K122 PolarHBondContact O-N 3.22Å; K122-V124 PolarHBondContact O-N 3.33Å |
| 123 | E | 86.4 | Confident | 87.2 | Confident | 158 Ų | 158 | 121.2 Ų | 121.2 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127.7 | 178.2 | -62.5 | -62.7 | 162.4 | 0 | 0 | 110.7 | ||
| 124 | V | 81.4 | Confident | 87 | Confident | 89 Ų | 89 | 125.6 Ų | 125.6 | 54% | 0.539 | 62% | 0.619 | S | S | . | * | trans | -96.3 | 99.3 | 174 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | K122 K126 L132 | K122-V124 PolarHBondContact O-N 3.33Å; V124-K126 WeakPolarHBondContact CG1-O 3.42Å; V124-L132 HydrophobicContact CG1-CD1 3.82Å; V124-L132 HydrophobicContact CG2-CD1 4.16Å | ||
| 125 | L | 76.9 | Confident | 87 | Confident | 162 Ų | 162 | 128.4 Ų | 128.4 | 85% | 0.848 | 64% | 0.636 | S | S | * | * | trans | -78.5 | -18.4 | -175.7 | -64.8 | 173.8 | 0 | 0 | 0 | 113.8 | ||||
| 126 | K | 82.7 | Confident | 87 | Confident | 162 Ų | 162 | 129.9 Ų | 129.9 | 70% | 0.704 | 65% | 0.648 | S | S | * | * | trans | -146.8 | 136.1 | -177.7 | -64.4 | -177.4 | -179.1 | 177.9 | 0 | 110.5 | V124 N128 A129 | V124-K126 WeakPolarHBondContact CG1-O 3.42Å; K126-N128 VanDerWaalsContact C-N 3.28Å; K126-N128 PolarHBondContact O-N 3.17Å; K126-A129 PolarHBondContact O-N 3.48Å | ||
| 127 | D | 75.2 | Confident | 87.1 | Confident | 156 Ų | 156 | 128.8 Ų | 128.8 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -29.6 | -179.2 | -61.5 | -27.1 | 0 | 0 | 0 | 113.4 | ||
| 128 | N | 76.1 | Confident | 87.2 | Confident | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 40.2 | 179.8 | -69.1 | -34.7 | 0 | 0 | 0 | 112.8 | K126 Q130 | K126-N128 VanDerWaalsContact C-N 3.28Å; K126-N128 PolarHBondContact O-N 3.17Å; N128-Q130 PolarHBondContact O-N 3.25Å |
| 129 | A | 80.9 | Confident | 87.4 | Confident | 31 Ų | 31 | 130.9 Ų | 130.9 | 26% | 0.256 | 66% | 0.658 | S | S | . | * | trans | -65.8 | 129.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K126 E131 L132 | K126-A129 PolarHBondContact O-N 3.48Å; A129-E131 PolarHBondContact O-N 2.98Å; A129-E131 VanDerWaalsContact O-N 3.16Å; A129-L132 HydrophobicContact CB-CD1 4.36Å; A129-L132 HydrophobicContact CB-CG 4.49Å; A129-L132 PolarHBondContact O-N 2.97Å; A129-L132 VanDerWaalsContact O-N 3.08Å | ||
| 130 | Q | 80.3 | Confident | 87.5 | Confident | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -58.7 | -28.1 | -180 | -172.3 | 174.6 | -6.1 | 0 | 0 | 112.8 | N128 L132 Q133 | N128-Q130 PolarHBondContact O-N 3.25Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 3.23Å; Q130-Q133 PolarHBondContact O-N 3.42Å |
| 131 | E | 83.3 | Confident | 87.7 | Confident | 190 Ų | 190 | 134.7 Ų | 134.7 | 89% | 0.888 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -69.1 | -24.2 | 178.2 | -61.2 | -178.4 | -179 | 0 | 0 | 114.1 | A129 | A129-E131 PolarHBondContact O-N 2.98Å; A129-E131 VanDerWaalsContact O-N 3.16Å |
| 132 | L | 85.8 | Confident | 87.9 | Confident | 115 Ų | 115 | 134.8 Ų | 134.8 | 60% | 0.602 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -96.6 | -4.1 | -179.5 | -65 | 174.9 | 0 | 0 | 0 | 112.6 | V124 A129 Q130 | V124-L132 HydrophobicContact CG1-CD1 3.82Å; V124-L132 HydrophobicContact CG2-CD1 4.16Å; A129-L132 HydrophobicContact CB-CD1 4.36Å; A129-L132 HydrophobicContact CB-CG 4.49Å; A129-L132 PolarHBondContact O-N 2.97Å; A129-L132 VanDerWaalsContact O-N 3.08Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 3.23Å |
| 133 | Q | 88.4 | Confident | 88.3 | Confident | 118 Ų | 118 | 130.9 Ų | 130.9 | 55% | 0.551 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -67.1 | 145.8 | 176.6 | -68.2 | -64.8 | -16.6 | 0 | 0 | 110.4 | Q130 | Q130-Q133 PolarHBondContact O-N 3.42Š|
| 134 | R | 90.4 | Very high | 88.9 | Confident | 221 Ų | 221 | 127.2 Ų | 127.2 | 83% | 0.834 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 152 | 169.9 | -65.6 | -179 | -178.4 | 179.9 | 1.5 | 108.6 | ||
| 135 | P | 94.3 | Very high | 89.7 | Confident | 96 Ų | 96 | 127.1 Ų | 127.1 | 62% | 0.623 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 153 | 168.6 | -24.1 | 34.1 | 0 | 0 | 0 | 111.5 | A139 V140 | P135-A139 HydrophobicContact CB-CB 4.46Å; P135-V140 HydrophobicContact CB-CG2 4.34Å |
| 136 | D | 94.7 | Very high | 90.7 | Very high | 128 Ų | 128 | 125.2 Ų | 125.2 | 68% | 0.684 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 149.8 | -179.1 | -59.7 | -38.3 | 0 | 0 | 0 | 112.2 | E138 A139 V140 | D136-E138 PolarHBondContact O-N 3.28Å; D136-E138 VanDerWaalsContact O-N 3.17Å; D136-A139 WeakPolarHBondContact O-CB 3.38Å; D136-A139 PolarHBondContact O-N 2.68Å; D136-V140 WeakPolarHBondContact O-CG2 3.46Å; D136-V140 PolarHBondContact O-N 3.16Å |
| 137 | E | 95.4 | Very high | 91.4 | Very high | 142 Ų | 142 | 120.7 Ų | 120.7 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -57.3 | -35.2 | -178.5 | -65.3 | -171.3 | -178.6 | 0 | 0 | 112.7 | V140 R141 | E137-V140 PolarHBondContact O-N 2.6Å; E137-R141 VanDerWaalsContact O-CG 3.28Å; E137-R141 WeakPolarHBondContact O-CG 3.39Å; E137-R141 PolarHBondContact O-N 3.05Å; E137-R141 IonicContact OE2-NH2 3.43Å |
| 138 | E | 96.3 | Very high | 92.5 | Very high | 160 Ų | 160 | 119.3 Ų | 119.3 | 75% | 0.748 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.2 | -44.2 | 176.6 | -63.5 | -173.6 | 167.3 | 0 | 0 | 111.9 | D136 V140 R141 E142 | D136-E138 PolarHBondContact O-N 3.28Å; D136-E138 VanDerWaalsContact O-N 3.17Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 3.17Å; E138-R141 PolarHBondContact O-N 3.06Å; E138-E142 PolarHBondContact O-N 3.49Å |
| 139 | A | 96.6 | Very high | 93.5 | Very high | 43 Ų | 43 | 115.4 Ų | 115.4 | 36% | 0.355 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.8 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P135 D136 E142 L143 | P135-A139 HydrophobicContact CB-CB 4.46Å; D136-A139 WeakPolarHBondContact O-CB 3.38Å; D136-A139 PolarHBondContact O-N 2.68Å; A139-E142 PolarHBondContact O-N 3.31Å; A139-L143 VanDerWaalsContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.03Å |
| 140 | V | 97.2 | Very high | 94.3 | Very high | 66 Ų | 66 | 116.4 Ų | 116.4 | 40% | 0.4 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -43.5 | 174 | 175 | 0 | 0 | 0 | 0 | 110.9 | P135 D136 E137 E138 L143 T144 | P135-V140 HydrophobicContact CB-CG2 4.34Å; D136-V140 WeakPolarHBondContact O-CG2 3.46Å; D136-V140 PolarHBondContact O-N 3.16Å; E137-V140 PolarHBondContact O-N 2.6Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 3.17Å; V140-L143 PolarHBondContact O-N 2.96Å; V140-T144 VanDerWaalsContact O-CB 3.27Å; V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 2.88Å; V140-T144 PolarHBondContact O-OG1 3.04Å |
| 141 | R | 97 | Very high | 95.2 | Very high | 169 Ų | 169 | 112.2 Ų | 112.2 | 64% | 0.638 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.6 | -44.3 | 176.1 | -72.8 | 174.1 | -165.9 | -177.1 | 8.9 | 111.6 | E137 E138 T144 E145 | E137-R141 VanDerWaalsContact O-CG 3.28Å; E137-R141 WeakPolarHBondContact O-CG 3.39Å; E137-R141 PolarHBondContact O-N 3.05Å; E137-R141 IonicContact OE2-NH2 3.43Å; E138-R141 PolarHBondContact O-N 3.06Å; R141-T144 WeakPolarHBondContact O-CB 3.28Å; R141-T144 PolarHBondContact O-N 3.2Å; R141-E145 PolarHBondContact O-N 3.43Å |
| 142 | E | 97.9 | Very high | 95.8 | Very high | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.9 | -169.9 | -169.3 | 173.2 | 0 | 0 | 111.7 | E138 A139 T144 E145 K146 | E138-E142 PolarHBondContact O-N 3.49Å; A139-E142 PolarHBondContact O-N 3.31Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 3.13Å; E142-E145 PolarHBondContact O-N 3.45Å; E142-K146 HydrophobicContact CG-CD 4.41Å; E142-K146 WeakPolarHBondContact O-CG 3.28Å; E142-K146 PolarHBondContact O-N 3.38Å; E142-K146 WeakPolarHBondContact OE1-CE 3.28Å; E142-K146 IonicContact OE1-NZ 3.76Å; E142-K146 PolarHBondContact OE1-NZ 3.5Å |
| 143 | L | 97.9 | Very high | 96.3 | Very high | 114 Ų | 114 | 109.6 Ų | 109.6 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | 176.1 | -174 | 77.7 | 0 | 0 | 0 | 111.2 | A139 V140 K146 T147 | A139-L143 VanDerWaalsContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.03Å; V140-L143 PolarHBondContact O-N 2.96Å; L143-K146 PolarHBondContact O-N 3.43Å; L143-T147 VanDerWaalsContact O-CB 3.27Å; L143-T147 WeakPolarHBondContact O-CB 3.46Å; L143-T147 PolarHBondContact O-N 3.46Å; L143-T147 PolarHBondContact O-OG1 2.9Å |
| 144 | T | 97.8 | Very high | 96.7 | Very high | 81 Ų | 81 | 109.6 Ų | 109.6 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 178.3 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | V140 R141 E142 T147 R148 | V140-T144 VanDerWaalsContact O-CB 3.27Å; V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 2.88Å; V140-T144 PolarHBondContact O-OG1 3.04Å; R141-T144 WeakPolarHBondContact O-CB 3.28Å; R141-T144 PolarHBondContact O-N 3.2Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 3.13Å; T144-T147 PolarHBondContact O-N 3.23Å; T144-R148 VanDerWaalsContact O-CB 3.24Å; T144-R148 WeakPolarHBondContact O-CB 3.25Å; T144-R148 PolarHBondContact O-N 2.82Å |
| 145 | E | 97.9 | Very high | 97 | Very high | 88 Ų | 88 | 102.8 Ų | 102.8 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 179 | -171 | 57 | -144.6 | 0 | 0 | 112.1 | R141 E142 T147 R148 S149 | R141-E145 PolarHBondContact O-N 3.43Å; E142-E145 PolarHBondContact O-N 3.45Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.26Å; E145-R148 VanDerWaalsContact CD-NH2 3.29Å; E145-R148 PolarHBondContact O-N 2.87Å; E145-R148 IonicContact OE1-CZ 3.27Å; E145-R148 IonicContact OE1-NE 3.93Å; E145-R148 IonicContact OE1-NH2 2.6Å; E145-R148 PolarHBondContact OE1-NH2 3.1Å; E145-R148 IonicContact OE2-CZ 2.7Å; E145-R148 IonicContact OE2-NE 3.57Å; E145-R148 PolarHBondContact OE2-NE 3.36Å; E145-R148 IonicContact OE2-NH1 2.87Å; E145-R148 IonicContact OE2-NH2 2.96Å; E145-R148 PolarHBondContact OE2-NH2 3.08Å; E145-R148 VanDerWaalsContact OE2-NH2 3.09Å; E145-S149 WeakPolarHBondContact O-CB 3.47Å; E145-S149 PolarHBondContact O-N 3.13Å; E145-S149 PolarHBondContact O-OG 3.35Å |
| 146 | K | 98.3 | Very high | 96.9 | Very high | 121 Ų | 121 | 101.1 Ų | 101.1 | 53% | 0.526 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 173.4 | -74.4 | 177.5 | -176.5 | 170 | 0 | 112 | E142 L143 S149 A150 | E142-K146 HydrophobicContact CG-CD 4.41Å; E142-K146 WeakPolarHBondContact O-CG 3.28Å; E142-K146 PolarHBondContact O-N 3.38Å; E142-K146 WeakPolarHBondContact OE1-CE 3.28Å; E142-K146 IonicContact OE1-NZ 3.76Å; E142-K146 PolarHBondContact OE1-NZ 3.5Å; L143-K146 PolarHBondContact O-N 3.43Å; K146-S149 PolarHBondContact O-OG 2.93Å; K146-A150 WeakPolarHBondContact O-CB 3.31Å; K146-A150 PolarHBondContact O-N 2.9Å; K146-A150 VanDerWaalsContact O-N 3.13Å |
| 147 | T | 98.1 | Very high | 96.7 | Very high | 68 Ų | 68 | 101 Ų | 101 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.2 | -42.7 | -179.8 | -55 | 0 | 0 | 0 | 0 | 110.8 | L143 T144 E145 A150 L151 | L143-T147 VanDerWaalsContact O-CB 3.27Å; L143-T147 WeakPolarHBondContact O-CB 3.46Å; L143-T147 PolarHBondContact O-N 3.46Å; L143-T147 PolarHBondContact O-OG1 2.9Å; T144-T147 PolarHBondContact O-N 3.23Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.26Å; T147-A150 PolarHBondContact O-N 3.02Å; T147-L151 HydrophobicContact CG2-CD1 3.98Å; T147-L151 HydrophobicContact CG2-CG 4.36Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CG 3.3Å; T147-L151 WeakPolarHBondContact O-CG 2.94Å; T147-L151 PolarHBondContact O-N 3.35Å |
| 148 | R | 97.8 | Very high | 96.6 | Very high | 126 Ų | 126 | 102 Ų | 102 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.8 | -54.1 | 176.5 | -173 | -174.5 | 78.7 | 179 | 0.4 | 110.8 | T144 E145 A150 L151 E152 | T144-R148 VanDerWaalsContact O-CB 3.24Å; T144-R148 WeakPolarHBondContact O-CB 3.25Å; T144-R148 PolarHBondContact O-N 2.82Å; E145-R148 VanDerWaalsContact CD-NH2 3.29Å; E145-R148 PolarHBondContact O-N 2.87Å; E145-R148 IonicContact OE1-CZ 3.27Å; E145-R148 IonicContact OE1-NE 3.93Å; E145-R148 IonicContact OE1-NH2 2.6Å; E145-R148 PolarHBondContact OE1-NH2 3.1Å; E145-R148 IonicContact OE2-CZ 2.7Å; E145-R148 IonicContact OE2-NE 3.57Å; E145-R148 PolarHBondContact OE2-NE 3.36Å; E145-R148 IonicContact OE2-NH1 2.87Å; E145-R148 IonicContact OE2-NH2 2.96Å; E145-R148 PolarHBondContact OE2-NH2 3.08Å; E145-R148 VanDerWaalsContact OE2-NH2 3.09Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 2.82Å; R148-L151 PolarHBondContact O-N 2.72Å; R148-L151 VanDerWaalsContact O-N 3.15Å; R148-E152 HydrophobicContact CG-CG 4.37Å; R148-E152 WeakPolarHBondContact CG-OE1 3.37Å; R148-E152 IonicContact NE-OE1 3.8Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.5Å; R148-E152 PolarHBondContact O-N 3.28Å |
| 149 | S | 97.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 98.6 Ų | 98.6 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | E145 K146 K153 | E145-S149 WeakPolarHBondContact O-CB 3.47Å; E145-S149 PolarHBondContact O-N 3.13Å; E145-S149 PolarHBondContact O-OG 3.35Å; K146-S149 PolarHBondContact O-OG 2.93Å; S149-K153 WeakPolarHBondContact O-CB 3.31Å; S149-K153 PolarHBondContact O-N 2.86Å; S149-K153 VanDerWaalsContact O-N 3.08Å |
| 150 | A | 98.1 | Very high | 95.8 | Very high | 51 Ų | 51 | 98.2 Ų | 98.2 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K146 T147 R148 K153 Q154 | K146-A150 WeakPolarHBondContact O-CB 3.31Å; K146-A150 PolarHBondContact O-N 2.9Å; K146-A150 VanDerWaalsContact O-N 3.13Å; T147-A150 PolarHBondContact O-N 3.02Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 2.82Å; A150-K153 PolarHBondContact O-N 2.86Å; A150-Q154 PolarHBondContact O-N 3.47Å |
| 151 | L | 97.6 | Very high | 95.2 | Very high | 93 Ų | 93 | 98.7 Ų | 98.7 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 178 | -70.3 | 175.8 | 0 | 0 | 0 | 111.7 | T147 R148 K153 Q154 V155 | T147-L151 HydrophobicContact CG2-CD1 3.98Å; T147-L151 HydrophobicContact CG2-CG 4.36Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CG 3.3Å; T147-L151 WeakPolarHBondContact O-CG 2.94Å; T147-L151 PolarHBondContact O-N 3.35Å; R148-L151 PolarHBondContact O-N 2.72Å; R148-L151 VanDerWaalsContact O-N 3.15Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.42Å; L151-Q154 PolarHBondContact O-N 2.67Å; L151-V155 WeakPolarHBondContact O-CB 3.27Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.13Å; L151-V155 PolarHBondContact O-N 3.32Å |
| 152 | E | 97.4 | Very high | 94.7 | Very high | 106 Ų | 106 | 94.3 Ų | 94.3 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 173.8 | -76.1 | 175.6 | -179.4 | 0 | 0 | 111.5 | R148 Q154 V155 S156 | R148-E152 HydrophobicContact CG-CG 4.37Å; R148-E152 WeakPolarHBondContact CG-OE1 3.37Å; R148-E152 IonicContact NE-OE1 3.8Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.5Å; R148-E152 PolarHBondContact O-N 3.28Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 2.93Å; E152-V155 PolarHBondContact O-N 3.4Å; E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.11Å; E152-S156 PolarHBondContact O-OG 2.93Å |
| 153 | K | 96.3 | Very high | 93.9 | Very high | 143 Ų | 143 | 94.3 Ų | 94.3 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 174 | -173.9 | 175.7 | 179.5 | 176.4 | 0 | 112.6 | S149 A150 L151 S156 Q157 | S149-K153 WeakPolarHBondContact O-CB 3.31Å; S149-K153 PolarHBondContact O-N 2.86Å; S149-K153 VanDerWaalsContact O-N 3.08Å; A150-K153 PolarHBondContact O-N 2.86Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.42Å; K153-S156 WeakPolarHBondContact CA-OG 3.47Å; K153-S156 PolarHBondContact O-OG 3.27Å; K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 2.94Å |
| 154 | Q | 95.7 | Very high | 92.3 | Very high | 119 Ų | 119 | 95.1 Ų | 95.1 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.7 | -41.6 | 176 | -68.1 | -178.3 | 4.1 | 0 | 0 | 112.1 | A150 L151 E152 Q157 K158 | A150-Q154 PolarHBondContact O-N 3.47Å; L151-Q154 PolarHBondContact O-N 2.67Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 2.93Å; Q154-Q157 WeakPolarHBondContact O-CB 3.44Å; Q154-Q157 PolarHBondContact O-N 3.46Å; Q154-K158 WeakPolarHBondContact O-CG 3.39Å; Q154-K158 PolarHBondContact O-N 2.97Å |
| 155 | V | 96.3 | Very high | 90.8 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | -179.9 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | L151 E152 Q157 K158 I159 | L151-V155 WeakPolarHBondContact O-CB 3.27Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.13Å; L151-V155 PolarHBondContact O-N 3.32Å; E152-V155 PolarHBondContact O-N 3.4Å; V155-Q157 VanDerWaalsContact C-N 3.3Å; V155-Q157 PolarHBondContact O-N 3.41Å; V155-K158 CarbonylContact O-C 3.57Å; V155-K158 WeakPolarHBondContact O-CA 2.88Å; V155-K158 WeakPolarHBondContact O-CB 3.39Å; V155-K158 PolarHBondContact O-N 3.21Å; V155-I159 HydrophobicContact CG1-CD1 3.59Å; V155-I159 HydrophobicContact CG1-CG1 4.1Å; V155-I159 WeakPolarHBondContact O-CG1 3.38Å; V155-I159 PolarHBondContact O-N 3Å |
| 156 | S | 92.4 | Very high | 89.2 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 43% | 0.427 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.4 | -38.6 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | E152 K153 K158 I159 A160 | E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.11Å; E152-S156 PolarHBondContact O-OG 2.93Å; K153-S156 WeakPolarHBondContact CA-OG 3.47Å; K153-S156 PolarHBondContact O-OG 3.27Å; S156-K158 VanDerWaalsContact C-N 3.34Å; S156-K158 PolarHBondContact O-N 3.03Å; S156-I159 PolarHBondContact O-N 3.22Å; S156-A160 VanDerWaalsContact O-CB 3.29Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.35Å |
| 157 | Q | 90.6 | Very high | 87.5 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 172.8 | -69.5 | 175.3 | -1.6 | 0 | 0 | 112.5 | K153 Q154 V155 A161 | K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 2.94Å; Q154-Q157 WeakPolarHBondContact O-CB 3.44Å; Q154-Q157 PolarHBondContact O-N 3.46Å; V155-Q157 VanDerWaalsContact C-N 3.3Å; V155-Q157 PolarHBondContact O-N 3.41Å; Q157-A161 PolarHBondContact O-N 3Å |
| 158 | K | 93.3 | Very high | 86.1 | Confident | 163 Ų | 163 | 98.3 Ų | 98.3 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.9 | -42 | 176.9 | -65 | -65.2 | -177 | -179.9 | 0 | 112.1 | Q154 V155 S156 A161 A162 | Q154-K158 WeakPolarHBondContact O-CG 3.39Å; Q154-K158 PolarHBondContact O-N 2.97Å; V155-K158 CarbonylContact O-C 3.57Å; V155-K158 WeakPolarHBondContact O-CA 2.88Å; V155-K158 WeakPolarHBondContact O-CB 3.39Å; V155-K158 PolarHBondContact O-N 3.21Å; S156-K158 VanDerWaalsContact C-N 3.34Å; S156-K158 PolarHBondContact O-N 3.03Å; K158-A161 PolarHBondContact O-N 3.34Å; K158-A162 PolarHBondContact O-N 3.34Å |
| 159 | I | 90.8 | Very high | 84.9 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 45% | 0.451 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -45.3 | 175.6 | -67.1 | 170.7 | 0 | 0 | 0 | 110 | V155 S156 A161 A162 M163 | V155-I159 HydrophobicContact CG1-CD1 3.59Å; V155-I159 HydrophobicContact CG1-CG1 4.1Å; V155-I159 WeakPolarHBondContact O-CG1 3.38Å; V155-I159 PolarHBondContact O-N 3Å; S156-I159 PolarHBondContact O-N 3.22Å; I159-A161 PolarHBondContact O-N 3.13Å; I159-A162 PolarHBondContact O-N 3.45Å; I159-M163 HydrophobicContact CG2-CE 4.37Å; I159-M163 HydrophobicContact CG2-CG 4.36Å; I159-M163 HydrophobicContact CG2-SD 4.4Å; I159-M163 PolarHBondContact O-N 2.93Å; I159-M163 VanDerWaalsContact O-N 3.14Å |
| 160 | A | 86.4 | Confident | 83.9 | Confident | 35 Ų | 35 | 105.2 Ų | 105.2 | 29% | 0.289 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57.4 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S156 A162 R166 | S156-A160 VanDerWaalsContact O-CB 3.29Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.35Å; A160-A162 VanDerWaalsContact C-N 3.32Å; A160-A162 PolarHBondContact O-N 2.78Å; A160-R166 VanDerWaalsContact O-CZ 3.26Å; A160-R166 PolarHBondContact O-NE 2.84Å; A160-R166 VanDerWaalsContact O-NE 3.12Å; A160-R166 PolarHBondContact O-NH2 3.46Å |
| 161 | A | 84.3 | Confident | 82.9 | Confident | 76 Ų | 76 | 108 Ų | 108 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -26.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q157 K158 I159 | Q157-A161 PolarHBondContact O-N 3Å; K158-A161 PolarHBondContact O-N 3.34Å; I159-A161 PolarHBondContact O-N 3.13Å |
| 162 | A | 86.5 | Confident | 82.1 | Confident | 77 Ų | 77 | 105.7 Ų | 105.7 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -89.3 | -19.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K158 I159 A160 P164 | K158-A162 PolarHBondContact O-N 3.34Å; I159-A162 PolarHBondContact O-N 3.45Å; A160-A162 VanDerWaalsContact C-N 3.32Å; A160-A162 PolarHBondContact O-N 2.78Å; A162-P164 VanDerWaalsContact O-CD 3.26Å; A162-P164 WeakPolarHBondContact O-CD 3.35Å |
| 163 | M | 79.8 | Confident | 81.7 | Confident | 109 Ų | 109 | 106 Ų | 106 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | trans | -77 | 115.3 | 177.9 | -68.9 | -163.5 | -64.3 | 0 | 0 | 111.1 | I159 | I159-M163 HydrophobicContact CG2-CE 4.37Å; I159-M163 HydrophobicContact CG2-CG 4.36Å; I159-M163 HydrophobicContact CG2-SD 4.4Å; I159-M163 PolarHBondContact O-N 2.93Å; I159-M163 VanDerWaalsContact O-N 3.14Å | ||
| 164 | P | 66 | Low | 81.4 | Confident | 131 Ų | 131 | 101 Ų | 101 | 85% | 0.851 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -74.2 | -30.7 | -172.4 | -18.5 | 32.7 | 0 | 0 | 0 | 114.6 | A162 | A162-P164 VanDerWaalsContact O-CD 3.26Å; A162-P164 WeakPolarHBondContact O-CD 3.35Å |
| 165 | V | 66.3 | Low | 81.4 | Confident | 136 Ų | 136 | 101.3 Ų | 101.3 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -110.6 | 101.1 | -179.4 | -169.2 | 0 | 0 | 0 | 0 | 107.1 | ||
| 166 | R | 63.6 | Low | 81.4 | Confident | 121 Ų | 121 | 104.9 Ų | 104.9 | 46% | 0.457 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -92 | 132 | 175.4 | -65.5 | -172.8 | 179.8 | -172 | 2.6 | 109.1 | A160 | A160-R166 VanDerWaalsContact O-CZ 3.26Å; A160-R166 PolarHBondContact O-NE 2.84Å; A160-R166 VanDerWaalsContact O-NE 3.12Å; A160-R166 PolarHBondContact O-NH2 3.46Å |
| 167 | A | 63.1 | Low | 81.5 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | D169 | A167-D169 PolarHBondContact O-N 3.31Š|
| 168 | A | 68.4 | Low | 81.8 | Confident | 80 Ų | 80 | 107.9 Ų | 107.9 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -55 | 125.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | K170 | A168-K170 PolarHBondContact O-N 3Š|
| 169 | D | 72.7 | Confident | 81.9 | Confident | 127 Ų | 127 | 105.1 Ų | 105.1 | 68% | 0.679 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.4 | 179.7 | -67.5 | -40.8 | 0 | 0 | 0 | 109 | A167 Q171 | A167-D169 PolarHBondContact O-N 3.31Å; D169-Q171 PolarHBondContact O-N 2.96Å |
| 170 | K | 76.2 | Confident | 82.1 | Confident | 202 Ų | 202 | 104 Ų | 104 | 88% | 0.878 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 128.6 | 174.8 | -68.5 | -177.9 | -179.7 | -179.9 | 0 | 108.5 | A168 A172 | A168-K170 PolarHBondContact O-N 3Å; K170-A172 PolarHBondContact O-N 2.87Å |
| 171 | Q | 76.6 | Confident | 82.5 | Confident | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 130.2 | 178.7 | -69.6 | 176.9 | 10.4 | 0 | 0 | 110.8 | D169 Q203 | D169-Q171 PolarHBondContact O-N 2.96Å; Q171-Q203 VanDerWaalsContact NE2-CB 3.28Å; Q171-Q203 VanDerWaalsContact NE2-CG 3.28Å |
| 172 | A | 81.4 | Confident | 82.9 | Confident | 45 Ų | 45 | 104.8 Ų | 104.8 | 37% | 0.372 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -65 | 149.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K170 | K170-A172 PolarHBondContact O-N 2.87Š|
| 173 | P | 88 | Confident | 83 | Confident | 113 Ų | 113 | 107.3 Ų | 107.3 | 73% | 0.734 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 151.4 | 175.7 | 27.5 | -34.7 | 0 | 0 | 0 | 111.4 | Q175 | P173-Q175 PolarHBondContact O-N 3.09Š|
| 174 | A | 91.3 | Very high | 83.5 | Confident | 37 Ų | 37 | 108 Ų | 108 | 31% | 0.306 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 129.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R198 M199 V200 | A174-R198 HydrophobicContact CB-CG 4.18Å; A174-M199 WeakPolarHBondContact CA-O 3.46Å; A174-V200 HydrophobicContact CB-CG2 3.89Å |
| 175 | Q | 95.2 | Very high | 84.6 | Confident | 127 Ų | 127 | 103.7 Ų | 103.7 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104 | 138.3 | 178.7 | -64.9 | -178 | -1.4 | 0 | 0 | 110.4 | P173 R198 M199 | P173-Q175 PolarHBondContact O-N 3.09Å; Q175-R198 CarbonylContact O-C 3.58Å; Q175-R198 WeakPolarHBondContact O-CA 3.3Å; Q175-M199 HydrophobicContact CB-CB 4.43Å; Q175-M199 PolarHBondContact N-O 3.48Å; Q175-M199 PolarHBondContact O-N 3.33Å |
| 176 | Y | 95.8 | Very high | 85.6 | Confident | 152 Ų | 152 | 103.6 Ų | 103.6 | 60% | 0.596 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 122 | 174.7 | -67 | -92.1 | 0 | 0 | 0 | 109.8 | V196 I197 R198 | Y176-V196 HydrophobicContact CD1-CG1 4.05Å; Y176-I197 WeakPolarHBondContact CA-O 3.47Å; Y176-R198 HydrophobicContact CD1-CB 3.9Å; Y176-R198 HydrophobicContact CD1-CG 4.2Å; Y176-R198 HydrophobicContact CE1-CB 3.64Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å |
| 177 | I | 96 | Very high | 86.8 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 38% | 0.379 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.8 | 175.5 | 62.8 | 175.4 | 0 | 0 | 0 | 110 | V196 I197 M199 | I177-V196 CarbonylContact O-C 3.59Å; I177-V196 WeakPolarHBondContact O-CA 3.46Å; I177-I197 HydrophobicContact CD1-CB 4.18Å; I177-I197 HydrophobicContact CD1-CD1 4.37Å; I177-I197 HydrophobicContact CG1-CB 3.71Å; I177-I197 HydrophobicContact CG1-CG2 4.41Å; I177-I197 PolarHBondContact N-O 3.2Å; I177-I197 PolarHBondContact O-N 3.29Å; I177-M199 HydrophobicContact CD1-CG 3.89Å; I177-M199 HydrophobicContact CD1-SD 4.19Å; I177-M199 HydrophobicContact CG1-CG 4.14Å; I177-M199 HydrophobicContact CG2-CG 4.5Å |
| 178 | R | 96.4 | Very high | 87.9 | Confident | 176 Ų | 176 | 103.1 Ų | 103.1 | 66% | 0.664 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 112.9 | 172.6 | -179 | -175.9 | -67.6 | -84 | -1.8 | 108.4 | Q194 | R178-Q194 VanDerWaalsContact CD-OE1 3.28Å; R178-Q194 VanDerWaalsContact NH1-OE1 3.08Å |
| 179 | Y | 95.6 | Very high | 88.8 | Confident | 106 Ų | 106 | 101.5 Ų | 101.5 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.2 | -178.7 | -179.9 | -113.3 | 0 | 0 | 0 | 110.8 | P181 Q194 R195 | Y179-P181 HydrophobicContact CD1-CG 3.9Å; Y179-P181 HydrophobicContact CE1-CB 3.92Å; Y179-P181 HydrophobicContact CE1-CG 3.76Å; Y179-P181 WeakPolarHBondContact O-CD 3.24Å; Y179-Q194 WeakPolarHBondContact O-CA 3.37Å; Y179-R195 HydrophobicContact CD1-CG 4.07Å; Y179-R195 PolarHBondContact N-O 2.71Å; Y179-R195 PolarHBondContact O-N 3.35Å |
| 180 | T | 95.4 | Very high | 89.5 | Confident | 65 Ų | 65 | 101.7 Ų | 101.7 | 40% | 0.399 | 55% | 0.55 | S | S | . | . | trans | -103.5 | 108.2 | 170.5 | -52.5 | 0 | 0 | 0 | 0 | 107.7 | Q194 | T180-Q194 HydrophobicContact CG2-CG 4.29Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.46Å; T180-Q194 PolarHBondContact OG1-NE2 3.09Å | ||
| 181 | P | 94.2 | Very high | 90 | Very high | 12 Ų | 12 | 94 Ų | 94 | 8% | 0.078 | 53% | 0.528 | C | S | . | . | trans | -62 | 139.4 | 176.4 | -21.7 | 33.6 | 0 | 0 | 0 | 111.6 | Y179 Q184 K193 | Y179-P181 HydrophobicContact CD1-CG 3.9Å; Y179-P181 HydrophobicContact CE1-CB 3.92Å; Y179-P181 HydrophobicContact CE1-CG 3.76Å; Y179-P181 WeakPolarHBondContact O-CD 3.24Å; P181-Q184 WeakPolarHBondContact O-CG 3.42Å; P181-Q184 PolarHBondContact O-NE2 3.24Å; P181-K193 WeakPolarHBondContact CD-O 3.49Å | ||
| 182 | S | 92.9 | Very high | 90.6 | Very high | 115 Ų | 115 | 91.4 Ų | 91.4 | 80% | 0.804 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -71.3 | -36.7 | 173.4 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | Q184 | S182-Q184 PolarHBondContact O-N 3.4Š|
| 183 | Q | 89.2 | Confident | 91.1 | Very high | 130 Ų | 130 | 97.1 Ų | 97.1 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -81 | 102.4 | 170.9 | -168.5 | 175.7 | 32.6 | 0 | 0 | 109 | F188 | Q183-F188 HydrophobicContact CG-CD2 4.42Å; Q183-F188 HydrophobicContact CG-CE2 4.26Å |
| 184 | Q | 89.6 | Confident | 91.4 | Very high | 124 Ų | 124 | 95.5 Ų | 95.5 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | trans | -104.4 | 144.8 | 176.8 | -61.6 | -174.9 | 4.2 | 0 | 0 | 110.1 | P181 S182 | P181-Q184 WeakPolarHBondContact O-CG 3.42Å; P181-Q184 PolarHBondContact O-NE2 3.24Å; S182-Q184 PolarHBondContact O-N 3.4Å | ||
| 185 | G | 87.9 | Confident | 91.5 | Very high | 39 Ų | 39 | 98.7 Ų | 98.7 | 40% | 0.402 | 53% | 0.529 | S | S | . | . | trans | 177.3 | 150 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A187 F188 | G185-A187 PolarHBondContact O-N 3.46Å; G185-F188 PolarHBondContact O-N 3.09Å; G185-F188 VanDerWaalsContact O-O 3.1Å | ||
| 186 | V | 87.4 | Confident | 91.6 | Very high | 134 Ų | 134 | 96.8 Ų | 96.8 | 81% | 0.812 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.9 | -176 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | F188 G191 | V186-F188 VanDerWaalsContact C-N 3.32Å; V186-F188 PolarHBondContact O-N 2.86Å; V186-G191 WeakPolarHBondContact O-CA 3.24Å; V186-G191 PolarHBondContact O-N 3.43Å |
| 187 | A | 90.1 | Very high | 91.5 | Very high | 99 Ų | 99 | 92.5 Ų | 92.5 | 82% | 0.818 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -16.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G185 | G185-A187 PolarHBondContact O-N 3.46Š|
| 188 | F | 85.8 | Confident | 91.6 | Very high | 101 Ų | 101 | 96.4 Ų | 96.4 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -98.9 | 146.8 | 179 | -66.5 | -71.5 | 0 | 0 | 0 | 110.8 | Q183 G185 V186 S190 G191 | Q183-F188 HydrophobicContact CG-CD2 4.42Å; Q183-F188 HydrophobicContact CG-CE2 4.26Å; G185-F188 PolarHBondContact O-N 3.09Å; G185-F188 VanDerWaalsContact O-O 3.1Å; V186-F188 VanDerWaalsContact C-N 3.32Å; V186-F188 PolarHBondContact O-N 2.86Å; F188-S190 PolarHBondContact O-N 2.92Å; F188-S190 VanDerWaalsContact O-N 3.13Å; F188-G191 PolarHBondContact O-N 2.74Å; F188-G191 VanDerWaalsContact O-N 3.08Å |
| 189 | N | 86.3 | Confident | 91.5 | Very high | 45 Ų | 45 | 92.8 Ų | 92.8 | 24% | 0.241 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | 53.4 | 34.6 | 176.1 | -161.8 | 39.5 | 0 | 0 | 0 | 113.4 | G191 A192 Q194 R195 | N189-G191 PolarHBondContact O-N 3.38Å; N189-G191 VanDerWaalsContact O-N 3.1Å; N189-A192 WeakPolarHBondContact CB-O 3.47Å; N189-A192 PolarHBondContact ND2-O 3.2Å; N189-A192 VanDerWaalsContact O-CB 3.31Å; N189-A192 WeakPolarHBondContact O-CB 3.4Å; N189-A192 PolarHBondContact O-N 2.83Å; N189-Q194 VanDerWaalsContact ND2-C 3.35Å; N189-Q194 PolarHBondContact ND2-O 3.08Å; N189-R195 PolarHBondContact OD1-NE 3.5Å |
| 190 | S | 88.6 | Confident | 91.4 | Very high | 131 Ų | 131 | 92 Ų | 92 | 92% | 0.916 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | 50.7 | 34.4 | -177.3 | -51.6 | 0 | 0 | 0 | 0 | 113.7 | F188 A192 | F188-S190 PolarHBondContact O-N 2.92Å; F188-S190 VanDerWaalsContact O-N 3.13Å; S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 3.15Å |
| 191 | G | 85.4 | Confident | 91.2 | Very high | 42 Ų | 42 | 95.2 Ų | 95.2 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | 79.5 | -2.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V186 F188 N189 | V186-G191 WeakPolarHBondContact O-CA 3.24Å; V186-G191 PolarHBondContact O-N 3.43Å; F188-G191 PolarHBondContact O-N 2.74Å; F188-G191 VanDerWaalsContact O-N 3.08Å; N189-G191 PolarHBondContact O-N 3.38Å; N189-G191 VanDerWaalsContact O-N 3.1Å |
| 192 | A | 90.3 | Very high | 91 | Very high | 53 Ų | 53 | 101.6 Ų | 101.6 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | trans | -79 | 133.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N189 S190 Q194 | N189-A192 WeakPolarHBondContact CB-O 3.47Å; N189-A192 PolarHBondContact ND2-O 3.2Å; N189-A192 VanDerWaalsContact O-CB 3.31Å; N189-A192 WeakPolarHBondContact O-CB 3.4Å; N189-A192 PolarHBondContact O-N 2.83Å; S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 3.15Å; A192-Q194 VanDerWaalsContact C-N 3.26Å; A192-Q194 PolarHBondContact O-N 3.44Å | ||
| 193 | K | 91.8 | Very high | 90.7 | Very high | 164 Ų | 164 | 103.2 Ų | 103.2 | 71% | 0.713 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -68.6 | -24.4 | 177.7 | -66.4 | -179.6 | 179.8 | 177.4 | 0 | 113.5 | P181 | P181-K193 WeakPolarHBondContact CD-O 3.49Š|
| 194 | Q | 94.9 | Very high | 90.5 | Very high | 80 Ų | 80 | 104 Ų | 104 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | trans | -136.8 | 159.1 | -176.8 | -63.3 | -175.9 | -26.4 | 0 | 0 | 110.3 | R178 Y179 T180 N189 A192 | R178-Q194 VanDerWaalsContact CD-OE1 3.28Å; R178-Q194 VanDerWaalsContact NH1-OE1 3.08Å; Y179-Q194 WeakPolarHBondContact O-CA 3.37Å; T180-Q194 HydrophobicContact CG2-CG 4.29Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.46Å; T180-Q194 PolarHBondContact OG1-NE2 3.09Å; N189-Q194 VanDerWaalsContact ND2-C 3.35Å; N189-Q194 PolarHBondContact ND2-O 3.08Å; A192-Q194 VanDerWaalsContact C-N 3.26Å; A192-Q194 PolarHBondContact O-N 3.44Å | ||
| 195 | R | 93.7 | Very high | 90.4 | Very high | 104 Ų | 104 | 102 Ų | 102 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.8 | 169.2 | 65.1 | -175.4 | 78.5 | 176.2 | 7.7 | 110 | Y179 N189 I197 | Y179-R195 HydrophobicContact CD1-CG 4.07Å; Y179-R195 PolarHBondContact N-O 2.71Å; Y179-R195 PolarHBondContact O-N 3.35Å; N189-R195 PolarHBondContact OD1-NE 3.5Å; R195-I197 HydrophobicContact CG-CD1 4.4Å; R195-I197 HydrophobicContact CG-CG1 4.24Å |
| 196 | V | 95.6 | Very high | 90.3 | Very high | 87 Ų | 87 | 105 Ų | 105 | 53% | 0.527 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.2 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | Y176 I177 | Y176-V196 HydrophobicContact CD1-CG1 4.05Å; I177-V196 CarbonylContact O-C 3.59Å; I177-V196 WeakPolarHBondContact O-CA 3.46Å |
| 197 | I | 95.4 | Very high | 90.2 | Very high | 61 Ų | 61 | 106.3 Ų | 106.3 | 31% | 0.313 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.5 | -178.3 | -55.6 | 170.1 | 0 | 0 | 0 | 107.7 | Y176 I177 R195 M199 | Y176-I197 WeakPolarHBondContact CA-O 3.47Å; I177-I197 HydrophobicContact CD1-CB 4.18Å; I177-I197 HydrophobicContact CD1-CD1 4.37Å; I177-I197 HydrophobicContact CG1-CB 3.71Å; I177-I197 HydrophobicContact CG1-CG2 4.41Å; I177-I197 PolarHBondContact N-O 3.2Å; I177-I197 PolarHBondContact O-N 3.29Å; R195-I197 HydrophobicContact CG-CD1 4.4Å; R195-I197 HydrophobicContact CG-CG1 4.24Å; I197-M199 HydrophobicContact CG2-CG 4.46Å; I197-M199 HydrophobicContact CG2-SD 3.94Å |
| 198 | R | 96.3 | Very high | 90 | Very high | 157 Ų | 157 | 104.6 Ų | 104.6 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.5 | 171.4 | -175.8 | -177 | 172.1 | 177.9 | -3.2 | 108.9 | A174 Q175 Y176 V200 | A174-R198 HydrophobicContact CB-CG 4.18Å; Q175-R198 CarbonylContact O-C 3.58Å; Q175-R198 WeakPolarHBondContact O-CA 3.3Å; Y176-R198 HydrophobicContact CD1-CB 3.9Å; Y176-R198 HydrophobicContact CD1-CG 4.2Å; Y176-R198 HydrophobicContact CE1-CB 3.64Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å; R198-V200 HydrophobicContact CG-CG2 4.18Å |
| 199 | M | 95.1 | Very high | 90.2 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 49% | 0.493 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.2 | 174.3 | -62.9 | -63.7 | -69.4 | 0 | 0 | 109.6 | A174 Q175 I177 I197 | A174-M199 WeakPolarHBondContact CA-O 3.46Å; Q175-M199 HydrophobicContact CB-CB 4.43Å; Q175-M199 PolarHBondContact N-O 3.48Å; Q175-M199 PolarHBondContact O-N 3.33Å; I177-M199 HydrophobicContact CD1-CG 3.89Å; I177-M199 HydrophobicContact CD1-SD 4.19Å; I177-M199 HydrophobicContact CG1-CG 4.14Å; I177-M199 HydrophobicContact CG2-CG 4.5Å; I197-M199 HydrophobicContact CG2-CG 4.46Å; I197-M199 HydrophobicContact CG2-SD 3.94Å |
| 200 | V | 94.1 | Very high | 90.4 | Very high | 88 Ų | 88 | 107.9 Ų | 107.9 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | trans | -128.3 | 129.4 | 173.9 | -175.9 | 0 | 0 | 0 | 0 | 107.3 | A174 R198 M202 | A174-V200 HydrophobicContact CB-CG2 3.89Å; R198-V200 HydrophobicContact CG-CG2 4.18Å; V200-M202 PolarHBondContact O-N 2.83Å | ||
| 201 | E | 89.9 | Confident | 90.6 | Very high | 134 Ų | 134 | 109 Ų | 109 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.3 | 175.2 | -174.2 | 172 | -168.6 | 0 | 0 | 109.7 | Q203 | E201-Q203 PolarHBondContact O-N 3.36Š|
| 202 | M | 89.9 | Confident | 91 | Very high | 146 Ų | 146 | 115.2 Ų | 115.2 | 72% | 0.719 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 128.4 | 178.8 | -175.1 | 173.1 | 67.7 | 0 | 0 | 109.6 | V200 K204 | V200-M202 PolarHBondContact O-N 2.83Å; M202-K204 PolarHBondContact O-N 3.06Å |
| 203 | Q | 87.7 | Confident | 91.1 | Very high | 148 Ų | 148 | 121.8 Ų | 121.8 | 69% | 0.692 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 124.2 | 177.2 | -168.1 | 169.9 | -6.5 | 0 | 0 | 110.5 | Q171 E201 | Q171-Q203 VanDerWaalsContact NE2-CB 3.28Å; Q171-Q203 VanDerWaalsContact NE2-CG 3.28Å; E201-Q203 PolarHBondContact O-N 3.36Å |
| 204 | K | 85.2 | Confident | 91.2 | Very high | 147 Ų | 147 | 121.5 Ų | 121.5 | 64% | 0.639 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 133 | 177.6 | -169.2 | 177.4 | 179.4 | -175.5 | 0 | 110.3 | M202 | M202-K204 PolarHBondContact O-N 3.06Š|
| 205 | D | 87.2 | Confident | 91.2 | Very high | 83 Ų | 83 | 123.9 Ų | 123.9 | 44% | 0.444 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 122.9 | 175.8 | 177 | 2.2 | 0 | 0 | 0 | 110.1 | M207 E208 | D205-M207 PolarHBondContact O-N 2.88Å; D205-M207 PolarHBondContact OD1-N 2.85Å; D205-E208 HydrophobicContact CB-CB 3.81Å; D205-E208 PolarHBondContact O-N 2.9Å |
| 206 | P | 84.8 | Confident | 91.3 | Very high | 101 Ų | 101 | 127.3 Ų | 127.3 | 66% | 0.656 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -19.7 | 178 | 28.1 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 207 | M | 86.1 | Confident | 91.3 | Very high | 161 Ų | 161 | 133 Ų | 133 | 79% | 0.793 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -2.2 | 178.4 | -60.4 | -59.6 | -71.6 | 0 | 0 | 112.8 | D205 P209 | D205-M207 PolarHBondContact O-N 2.88Å; D205-M207 PolarHBondContact OD1-N 2.85Å; M207-P209 WeakPolarHBondContact O-CD 3.42Å |
| 208 | E | 86.2 | Confident | 91.2 | Very high | 63 Ų | 63 | 136.6 Ų | 136.6 | 29% | 0.294 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 122.6 | 179.6 | -179.7 | 175.2 | -154.9 | 0 | 0 | 111 | D205 R211 | D205-E208 HydrophobicContact CB-CB 3.81Å; D205-E208 PolarHBondContact O-N 2.9Å; E208-R211 VanDerWaalsContact CD-NH2 3.33Å; E208-R211 IonicContact OE1-CZ 3.39Å; E208-R211 IonicContact OE1-NE 2.71Å; E208-R211 PolarHBondContact OE1-NE 3.46Å; E208-R211 IonicContact OE1-NH2 3.57Å; E208-R211 PolarHBondContact OE1-NH2 3.45Å; E208-R211 IonicContact OE2-CZ 3.18Å; E208-R211 IonicContact OE2-NE 3.09Å; E208-R211 PolarHBondContact OE2-NE 3.34Å; E208-R211 IonicContact OE2-NH2 3.7Å; E208-R211 PolarHBondContact OE2-NH2 3.47Å |
| 209 | P | 89.2 | Confident | 91.3 | Very high | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 165.1 | 175.8 | 30.2 | -35.3 | 0 | 0 | 0 | 111.9 | M207 R211 | M207-P209 WeakPolarHBondContact O-CD 3.42Å; P209-R211 PolarHBondContact O-N 3.45Å; P209-R211 VanDerWaalsContact O-N 3.14Å |
| 210 | P | 90.6 | Very high | 91.3 | Very high | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 120.5 | 175.2 | -26.2 | 35.1 | 0 | 0 | 0 | 113 | F212 | P210-F212 PolarHBondContact O-N 3.01Š|
| 211 | R | 92.4 | Very high | 91.2 | Very high | 156 Ų | 156 | 140.1 Ų | 140.1 | 59% | 0.589 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -65 | -33.2 | -174.1 | -65.8 | -176 | 179.4 | -169.8 | -2.2 | 115.2 | E208 P209 | E208-R211 VanDerWaalsContact CD-NH2 3.33Å; E208-R211 IonicContact OE1-CZ 3.39Å; E208-R211 IonicContact OE1-NE 2.71Å; E208-R211 PolarHBondContact OE1-NE 3.46Å; E208-R211 IonicContact OE1-NH2 3.57Å; E208-R211 PolarHBondContact OE1-NH2 3.45Å; E208-R211 IonicContact OE2-CZ 3.18Å; E208-R211 IonicContact OE2-NE 3.09Å; E208-R211 PolarHBondContact OE2-NE 3.34Å; E208-R211 IonicContact OE2-NH2 3.7Å; E208-R211 PolarHBondContact OE2-NH2 3.47Å; P209-R211 PolarHBondContact O-N 3.45Å; P209-R211 VanDerWaalsContact O-N 3.14Å |
| 212 | F | 94.5 | Very high | 91.4 | Very high | 171 Ų | 171 | 139.9 Ų | 139.9 | 75% | 0.75 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -127.2 | 148.6 | -170 | -54 | -66.4 | 0 | 0 | 0 | 112.2 | P210 I214 | P210-F212 PolarHBondContact O-N 3.01Å; F212-I214 PolarHBondContact O-N 3.28Å |
| 213 | K | 93.1 | Very high | 91.7 | Very high | 191 Ų | 191 | 138.4 Ų | 138.4 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | trans | -75.6 | 115.5 | 174.5 | -64.1 | -176.1 | -178.7 | 179.8 | 0 | 110.3 | ||||
| 214 | I | 93.8 | Very high | 91.9 | Very high | 159 Ų | 159 | 135 Ų | 135 | 82% | 0.815 | 70% | 0.696 | S | S | * | * | trans | -91.8 | -9.3 | -178.5 | -55.5 | 170.9 | 0 | 0 | 0 | 112.1 | F212 K216 | F212-I214 PolarHBondContact O-N 3.28Å; I214-K216 PolarHBondContact O-N 3.22Å | ||
| 215 | N | 95 | Very high | 92.2 | Very high | 129 Ų | 129 | 130.4 Ų | 130.4 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | trans | -75.8 | 8.8 | -175.1 | 67 | -25.6 | 0 | 0 | 0 | 115.1 | K217 | N215-K217 PolarHBondContact O-N 3.41Š| ||
| 216 | K | 94.7 | Very high | 92.5 | Very high | 177 Ų | 177 | 132 Ų | 132 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | -68.4 | 105.8 | 176.9 | -172.5 | 177 | -178.3 | 179 | 0 | 109.6 | I214 | I214-K216 PolarHBondContact O-N 3.22Š| ||
| 217 | K | 95.5 | Very high | 92.9 | Very high | 207 Ų | 207 | 130.8 Ų | 130.8 | 90% | 0.9 | 69% | 0.694 | S | S | * | * | trans | -78.7 | 122.2 | 175.6 | -63.7 | -178.8 | -177.7 | 179.3 | 0 | 109.5 | N215 | N215-K217 PolarHBondContact O-N 3.41Š| ||
| 218 | I | 94.8 | Very high | 93.4 | Very high | 136 Ų | 136 | 125.2 Ų | 125.2 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | trans | -106.9 | 147.8 | 173.1 | 54.4 | 174.5 | 0 | 0 | 0 | 109.4 | ||||
| 219 | P | 96.6 | Very high | 93.8 | Very high | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 152.8 | 171.3 | 27.1 | -34.1 | 0 | 0 | 0 | 109.7 | G221 | P219-G221 PolarHBondContact O-N 2.82Š|
| 220 | R | 95.3 | Very high | 94 | Very high | 250 Ų | 250 | 125.6 Ų | 125.6 | 94% | 0.943 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 130.3 | 174.4 | -171 | 178.8 | -73 | -168.1 | -1.9 | 108.3 | ||
| 221 | G | 93.2 | Very high | 94.2 | Very high | 51 Ų | 51 | 126.9 Ų | 126.9 | 53% | 0.526 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 167.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P219 | P219-G221 PolarHBondContact O-N 2.82Š|
| 222 | P | 94.7 | Very high | 94.3 | Very high | 128 Ų | 128 | 124.2 Ų | 124.2 | 83% | 0.831 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.8 | 174.4 | 26.3 | -33.8 | 0 | 0 | 0 | 109.9 | ||
| 223 | P | 94.3 | Very high | 94.3 | Very high | 116 Ų | 116 | 121.8 Ų | 121.8 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 168.9 | 172.4 | 30.8 | -35.3 | 0 | 0 | 0 | 110.1 | ||
| 224 | S | 92.1 | Very high | 94.3 | Very high | 75 Ų | 75 | 118.1 Ų | 118.1 | 52% | 0.524 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -55.1 | 143.4 | 165.1 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 225 | P | 92.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 120.7 Ų | 120.7 | 34% | 0.338 | 67% | 0.671 | S | S | . | * | trans | -36.9 | 132.3 | 172.8 | -28.1 | 18.6 | 0 | 0 | 0 | 112.7 | Q104 Q106 A227 | Q104-P225 WeakPolarHBondContact O-CG 3.31Å; Q106-P225 VanDerWaalsContact NE2-CD 3.27Å; P225-A227 PolarHBondContact O-N 3.33Å | ||
| 226 | P | 93.1 | Very high | 94.3 | Very high | 117 Ų | 117 | 123.7 Ų | 123.7 | 76% | 0.76 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -62 | 131.3 | -173.5 | 26.1 | -33.9 | 0 | 0 | 0 | 110 | ||
| 227 | A | 93.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 120.2 Ų | 120.2 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 143.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P225 V229 | P225-A227 PolarHBondContact O-N 3.33Å; A227-V229 PolarHBondContact O-N 2.88Å |
| 228 | P | 95.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 114.1 Ų | 114.1 | 29% | 0.292 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 135.3 | 171.8 | -25.1 | 35.8 | 0 | 0 | 0 | 111.3 | A102 I112 M230 | A102-P228 HydrophobicContact CB-CG 3.76Å; I112-P228 HydrophobicContact CG2-CG 4.16Å; P228-M230 PolarHBondContact O-N 3.43Å |
| 229 | V | 95.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 112.9 Ų | 112.9 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | trans | -86.3 | 109.8 | -178.1 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | A227 H231 | A227-V229 PolarHBondContact O-N 2.88Å; V229-H231 VanDerWaalsContact CG1-CD2 3.48Å; V229-H231 WeakPolarHBondContact CG1-CD2 3.49Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.31Å; V229-H231 WeakPolarHBondContact CG1-ND1 3.47Å; V229-H231 VanDerWaalsContact CG1-NE2 3.28Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.47Å; V229-H231 PolarHBondContact O-N 3.43Å | ||
| 230 | M | 93.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 114 Ų | 114 | 30% | 0.296 | 64% | 0.638 | S | S | . | * | trans | -93.9 | 65 | -174.7 | -60 | -59 | -88 | 0 | 0 | 110.7 | F113 K115 D118 L119 P228 | F113-M230 HydrophobicContact CB-CE 4.44Å; F113-M230 HydrophobicContact CB-CG 4.5Å; K115-M230 WeakPolarHBondContact O-CE 3.39Å; D118-M230 HydrophobicContact CB-CE 3.89Å; L119-M230 HydrophobicContact CD1-CE 4.09Å; L119-M230 HydrophobicContact CD2-CB 3.66Å; L119-M230 HydrophobicContact CD2-CE 4.33Å; L119-M230 WeakPolarHBondContact CD2-O 3.5Å; L119-M230 HydrophobicContact CG-CB 4.27Å; L119-M230 HydrophobicContact CG-CE 3.62Å; L119-M230 HydrophobicContact CG-SD 4.44Å; P228-M230 PolarHBondContact O-N 3.43Å | ||
| 231 | H | 94.1 | Very high | 94.6 | Very high | 145 Ų | 145 | 104.2 Ų | 104.2 | 67% | 0.671 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 158 | 174.8 | -67.2 | 169.9 | 0 | 0 | 0 | 111.6 | V229 | V229-H231 VanDerWaalsContact CG1-CD2 3.48Å; V229-H231 WeakPolarHBondContact CG1-CD2 3.49Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.31Å; V229-H231 WeakPolarHBondContact CG1-ND1 3.47Å; V229-H231 VanDerWaalsContact CG1-NE2 3.28Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.47Å; V229-H231 PolarHBondContact O-N 3.43Å |
| 232 | S | 93.6 | Very high | 94.7 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 161.9 | 160.8 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | S234 | S232-S234 PolarHBondContact O-N 3.34Š|
| 233 | P | 94.9 | Very high | 94.9 | Very high | 121 Ų | 121 | 107.6 Ų | 107.6 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -50.3 | 138.5 | 170.5 | -27.2 | 35.7 | 0 | 0 | 0 | 110.9 | R235 | P233-R235 PolarHBondContact O-N 3.12Š|
| 234 | S | 94.2 | Very high | 95 | Very high | 113 Ų | 113 | 108.1 Ų | 108.1 | 79% | 0.79 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.1 | -177.2 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | S232 K236 | S232-S234 PolarHBondContact O-N 3.34Å; S234-K236 PolarHBondContact O-N 3.3Å |
| 235 | R | 93.8 | Very high | 95.2 | Very high | 213 Ų | 213 | 113.5 Ų | 113.5 | 80% | 0.804 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.4 | 172.6 | -172.7 | -179.7 | 179.7 | -179.7 | -0.3 | 108.1 | P233 M237 | P233-R235 PolarHBondContact O-N 3.12Å; R235-M237 PolarHBondContact O-N 3.3Å |
| 236 | K | 94.6 | Very high | 95.4 | Very high | 193 Ų | 193 | 119 Ų | 119 | 84% | 0.839 | 61% | 0.613 | S | S | * | * | trans | -64.7 | 109.2 | 174.1 | -68.3 | -174.5 | 179 | -179.6 | 0 | 108.9 | S234 | S234-K236 PolarHBondContact O-N 3.3Š| ||
| 237 | M | 94.4 | Very high | 95.5 | Very high | 104 Ų | 104 | 120.7 Ų | 120.7 | 51% | 0.512 | 61% | 0.614 | S | S | . | * | trans | -70.4 | 127.2 | 175 | -177.1 | 58.3 | 64.8 | 0 | 0 | 109.1 | R235 E241 Q242 | R235-M237 PolarHBondContact O-N 3.3Å; M237-E241 HydrophobicContact CE-CG 4.32Å; M237-E241 HydrophobicContact SD-CB 3.65Å; M237-E241 HydrophobicContact SD-CG 3.39Å; M237-E241 WeakPolarHBondContact SD-CG 3.36Å; M237-E241 VanDerWaalsContact SD-OE2 3.34Å; M237-Q242 HydrophobicContact CG-CB 4.16Å | ||
| 238 | T | 96.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 122 Ų | 122 | 48% | 0.479 | 62% | 0.617 | S | S | . | * | trans | -81.6 | 149 | 173.7 | 67.8 | 0 | 0 | 0 | 0 | 110 | K240 E241 Q242 | T238-K240 PolarHBondContact O-N 3.31Å; T238-E241 PolarHBondContact O-N 3.46Å; T238-E241 VanDerWaalsContact OG1-CB 3.25Å; T238-E241 WeakPolarHBondContact OG1-CB 3.35Å; T238-E241 PolarHBondContact OG1-N 3.42Å; T238-E241 VanDerWaalsContact OG1-N 3.13Å; T238-Q242 PolarHBondContact O-N 3.06Å | ||
| 239 | V | 97.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 125.1 Ų | 125.1 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59.2 | -35.7 | 176.3 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | Q242 Q243 | V239-Q242 PolarHBondContact O-N 2.79Å; V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 VanDerWaalsContact O-CG 3.32Å; V239-Q243 WeakPolarHBondContact O-CG 3.46Å; V239-Q243 PolarHBondContact O-N 3.38Å |
| 240 | K | 96.8 | Very high | 95.4 | Very high | 142 Ų | 142 | 126 Ų | 126 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.2 | -52.3 | 175.4 | -179.6 | 177.7 | 171.1 | -180 | 0 | 111.6 | T238 Q242 Q243 E244 | T238-K240 PolarHBondContact O-N 3.31Å; K240-Q242 VanDerWaalsContact C-N 3.32Å; K240-Q242 PolarHBondContact O-N 3.45Å; K240-Q243 PolarHBondContact O-N 3.46Å; K240-Q243 VanDerWaalsContact O-N 3.11Å; K240-E244 WeakPolarHBondContact CE-OE1 3.23Å; K240-E244 IonicContact NZ-OE1 3.91Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 2.94Å |
| 241 | E | 96.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 125 Ų | 125 | 21% | 0.206 | 64% | 0.642 | C | S | . | * | H | α-helix | trans | -58.7 | -45.3 | 177.5 | -175.1 | 179.3 | -177.8 | 0 | 0 | 110.7 | M237 T238 Q243 E244 W245 | M237-E241 HydrophobicContact CE-CG 4.32Å; M237-E241 HydrophobicContact SD-CB 3.65Å; M237-E241 HydrophobicContact SD-CG 3.39Å; M237-E241 WeakPolarHBondContact SD-CG 3.36Å; M237-E241 VanDerWaalsContact SD-OE2 3.34Å; T238-E241 PolarHBondContact O-N 3.46Å; T238-E241 VanDerWaalsContact OG1-CB 3.25Å; T238-E241 WeakPolarHBondContact OG1-CB 3.35Å; T238-E241 PolarHBondContact OG1-N 3.42Å; T238-E241 VanDerWaalsContact OG1-N 3.13Å; E241-Q243 VanDerWaalsContact C-N 3.26Å; E241-Q243 PolarHBondContact O-N 3.07Å; E241-E244 PolarHBondContact O-N 3.21Å; E241-W245 PolarHBondContact O-N 3.07Å |
| 242 | Q | 97.1 | Very high | 95.3 | Very high | 115 Ų | 115 | 120 Ų | 120 | 54% | 0.537 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.9 | -34.7 | 176.9 | -173.2 | 61.7 | 57 | 0 | 0 | 113.4 | M237 T238 V239 K240 K246 | M237-Q242 HydrophobicContact CG-CB 4.16Å; T238-Q242 PolarHBondContact O-N 3.06Å; V239-Q242 PolarHBondContact O-N 2.79Å; K240-Q242 VanDerWaalsContact C-N 3.32Å; K240-Q242 PolarHBondContact O-N 3.45Å; Q242-K246 PolarHBondContact O-N 3.08Å |
| 243 | Q | 97.1 | Very high | 95.2 | Very high | 135 Ų | 135 | 119 Ų | 119 | 63% | 0.631 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.7 | -40.7 | 176.7 | -74.6 | 177.1 | 0.6 | 0 | 0 | 112.2 | V239 K240 E241 W245 K246 | V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 VanDerWaalsContact O-CG 3.32Å; V239-Q243 WeakPolarHBondContact O-CG 3.46Å; V239-Q243 PolarHBondContact O-N 3.38Å; K240-Q243 PolarHBondContact O-N 3.46Å; K240-Q243 VanDerWaalsContact O-N 3.11Å; E241-Q243 VanDerWaalsContact C-N 3.26Å; E241-Q243 PolarHBondContact O-N 3.07Å; Q243-W245 VanDerWaalsContact C-N 3.26Å; Q243-W245 PolarHBondContact O-N 3.38Å; Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.29Å; Q243-K246 PolarHBondContact O-N 2.67Å; Q243-K246 VanDerWaalsContact O-N 3.09Å |
| 244 | E | 97.1 | Very high | 95.1 | Very high | 127 Ų | 127 | 123.9 Ų | 123.9 | 59% | 0.593 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.2 | -36.8 | 176.1 | -73.7 | 172.7 | 179.6 | 0 | 0 | 111.7 | K240 E241 K246 | K240-E244 WeakPolarHBondContact CE-OE1 3.23Å; K240-E244 IonicContact NZ-OE1 3.91Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 2.94Å; E241-E244 PolarHBondContact O-N 3.21Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 2.94Å |
| 245 | W | 96.5 | Very high | 95.1 | Very high | 189 Ų | 189 | 126.6 Ų | 126.6 | 72% | 0.716 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 7 | 176.8 | -69.9 | 103 | 0 | 0 | 0 | 114.2 | E241 Q243 I247 | E241-W245 PolarHBondContact O-N 3.07Å; Q243-W245 VanDerWaalsContact C-N 3.26Å; Q243-W245 PolarHBondContact O-N 3.38Å; W245-I247 PolarHBondContact O-N 2.86Å; W245-I247 VanDerWaalsContact O-N 3.09Å |
| 246 | K | 97.4 | Very high | 95.1 | Very high | 167 Ų | 167 | 119.5 Ų | 119.5 | 73% | 0.726 | 59% | 0.589 | S | S | * | * | trans | -75.5 | 101 | 175.2 | -171.1 | 175.4 | 179.8 | 178 | 0 | 109.9 | Q242 Q243 E244 P248 | Q242-K246 PolarHBondContact O-N 3.08Å; Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.29Å; Q243-K246 PolarHBondContact O-N 2.67Å; Q243-K246 VanDerWaalsContact O-N 3.09Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 2.94Å; K246-P248 VanDerWaalsContact O-CD 3.31Å; K246-P248 WeakPolarHBondContact O-CD 3.45Å | ||
| 247 | I | 95.4 | Very high | 95.2 | Very high | 152 Ų | 152 | 115.6 Ų | 115.6 | 78% | 0.779 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.5 | 178.7 | -55.7 | 178.1 | 0 | 0 | 0 | 109.7 | W245 | W245-I247 PolarHBondContact O-N 2.86Å; W245-I247 VanDerWaalsContact O-N 3.09Å |
| 248 | P | 94.4 | Very high | 95.3 | Very high | 103 Ų | 103 | 118.1 Ų | 118.1 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 150 | 174.1 | -23.4 | 35.1 | 0 | 0 | 0 | 112.1 | K246 C250 | K246-P248 VanDerWaalsContact O-CD 3.31Å; K246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-C250 PolarHBondContact O-N 3.29Å |
| 249 | P | 94.4 | Very high | 95.2 | Very high | 110 Ų | 110 | 117 Ų | 117 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136.8 | 177.4 | 27.5 | -34.4 | 0 | 0 | 0 | 110.9 | I251 | P249-I251 PolarHBondContact O-N 3.49Å; P249-I251 VanDerWaalsContact O-N 3.12Å |
| 250 | C | 93.4 | Very high | 95.1 | Very high | 125 Ų | 125 | 118.3 Ų | 118.3 | 85% | 0.845 | 60% | 0.598 | S | S | * | * | trans | -75.6 | 103.1 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | P248 | P248-C250 PolarHBondContact O-N 3.29Š| ||
| 251 | I | 93.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 118.6 Ų | 118.6 | 21% | 0.205 | 61% | 0.612 | C | S | . | * | trans | -94.2 | 101.5 | 172.5 | -62.3 | 174.4 | 0 | 0 | 0 | 107.4 | P249 I262 K266 | P249-I251 PolarHBondContact O-N 3.49Å; P249-I251 VanDerWaalsContact O-N 3.12Å; I251-I262 HydrophobicContact CD1-CG2 4.12Å; I251-I262 HydrophobicContact CG1-CD1 4.38Å; I251-I262 HydrophobicContact CG2-CD1 3.78Å; I251-I262 HydrophobicContact CG2-CG2 4.03Å; I251-K266 HydrophobicContact CD1-CB 3.73Å; I251-K266 WeakPolarHBondContact CD1-O 3.4Å | ||
| 252 | S | 92.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 118.3 Ų | 118.3 | 28% | 0.28 | 61% | 0.612 | S | S | . | * | trans | -84.4 | 137.1 | -179 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | W254 K255 | S252-W254 PolarHBondContact O-N 2.95Å; S252-W254 PolarHBondContact OG-N 3.28Å; S252-W254 VanDerWaalsContact OG-N 3.11Å; S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 3.25Å; S252-K255 VanDerWaalsContact OG-N 3.11Å | ||
| 253 | N | 90.8 | Very high | 94.8 | Very high | 77 Ų | 77 | 116.5 Ų | 116.5 | 41% | 0.412 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -73.8 | -12.5 | 169.3 | -72.8 | -28.8 | 0 | 0 | 0 | 113.3 | R267 | N253-R267 WeakPolarHBondContact OD1-CG 3.43Å; N253-R267 PolarHBondContact OD1-O 3.21Å |
| 254 | W | 91.6 | Very high | 94.5 | Very high | 225 Ų | 225 | 116.4 Ų | 116.4 | 85% | 0.852 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -108.3 | -43.4 | -178.4 | -63.9 | -82 | 0 | 0 | 0 | 114 | S252 | S252-W254 PolarHBondContact O-N 2.95Å; S252-W254 PolarHBondContact OG-N 3.28Å; S252-W254 VanDerWaalsContact OG-N 3.11Å |
| 255 | K | 94.7 | Very high | 94.2 | Very high | 170 Ų | 170 | 114.6 Ų | 114.6 | 74% | 0.739 | 61% | 0.607 | S | S | * | * | trans | -118.7 | 123.5 | -169.9 | -65.5 | -60.8 | -174.4 | -175.6 | 0 | 111.7 | S252 | S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 3.25Å; S252-K255 VanDerWaalsContact OG-N 3.11Å | ||
| 256 | N | 94.7 | Very high | 94.1 | Very high | 64 Ų | 64 | 110.8 Ų | 110.8 | 34% | 0.342 | 60% | 0.596 | S | S | . | * | trans | -128.5 | 77.9 | 170.1 | -175.4 | 5.1 | 0 | 0 | 0 | 109.1 | K258 G259 Y260 | N256-K258 PolarHBondContact O-N 2.72Å; N256-G259 VanDerWaalsContact ND2-C 3.34Å; N256-G259 PolarHBondContact O-N 3.14Å; N256-G259 VanDerWaalsContact O-N 3.1Å; N256-G259 PolarHBondContact OD1-N 3.12Å; N256-G259 VanDerWaalsContact OD1-N 3.09Å; N256-Y260 PolarHBondContact ND2-N 3.19Å; N256-Y260 PolarHBondContact ND2-O 3.33Å; N256-Y260 PolarHBondContact OD1-N 3.2Å | ||
| 257 | A | 96.2 | Very high | 93.6 | Very high | 110 Ų | 110 | 107.4 Ų | 107.4 | 91% | 0.909 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -30.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 258 | K | 96.3 | Very high | 93.3 | Very high | 157 Ų | 157 | 104.7 Ų | 104.7 | 68% | 0.683 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 3.5 | 179.9 | -63.7 | -173.6 | 179.7 | 179.8 | 0 | 113.4 | N256 Y260 | N256-K258 PolarHBondContact O-N 2.72Å; K258-Y260 VanDerWaalsContact C-N 3.31Å; K258-Y260 HydrophobicContact CB-CD1 4.37Å; K258-Y260 HydrophobicContact CB-CD2 4.1Å; K258-Y260 HydrophobicContact CB-CE1 4.02Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.42Å; K258-Y260 HydrophobicContact CD-CE2 3.77Å; K258-Y260 WeakPolarHBondContact CD-OH 3.38Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.45Å |
| 259 | G | 94.9 | Very high | 92.8 | Very high | 55 Ų | 55 | 103.3 Ų | 103.3 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | trans | 63.9 | 28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | N256 | N256-G259 VanDerWaalsContact ND2-C 3.34Å; N256-G259 PolarHBondContact O-N 3.14Å; N256-G259 VanDerWaalsContact O-N 3.1Å; N256-G259 PolarHBondContact OD1-N 3.12Å; N256-G259 VanDerWaalsContact OD1-N 3.09Å | ||
| 260 | Y | 96.3 | Very high | 92.3 | Very high | 138 Ų | 138 | 102 Ų | 102 | 54% | 0.541 | 56% | 0.561 | S | S | . | * | trans | -64.5 | 137.3 | -179.4 | -64.4 | -43.5 | 0 | 0 | 0 | 112.8 | N256 K258 I262 | N256-Y260 PolarHBondContact ND2-N 3.19Å; N256-Y260 PolarHBondContact ND2-O 3.33Å; N256-Y260 PolarHBondContact OD1-N 3.2Å; K258-Y260 VanDerWaalsContact C-N 3.31Å; K258-Y260 HydrophobicContact CB-CD1 4.37Å; K258-Y260 HydrophobicContact CB-CD2 4.1Å; K258-Y260 HydrophobicContact CB-CE1 4.02Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.42Å; K258-Y260 HydrophobicContact CD-CE2 3.77Å; K258-Y260 WeakPolarHBondContact CD-OH 3.38Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.45Å; Y260-I262 PolarHBondContact O-N 3.05Å | ||
| 261 | T | 95.1 | Very high | 91.6 | Very high | 147 Ų | 147 | 98 Ų | 98 | 90% | 0.902 | 53% | 0.531 | S | S | * | . | trans | -79.9 | 101.3 | 170.6 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 262 | I | 93.8 | Very high | 91 | Very high | 39 Ų | 39 | 98.5 Ų | 98.5 | 20% | 0.2 | 55% | 0.546 | C | S | . | . | trans | -99.7 | 127.3 | -178.3 | -56 | 177.9 | 0 | 0 | 0 | 108.8 | I251 Y260 K266 R267 | I251-I262 HydrophobicContact CD1-CG2 4.12Å; I251-I262 HydrophobicContact CG1-CD1 4.38Å; I251-I262 HydrophobicContact CG2-CD1 3.78Å; I251-I262 HydrophobicContact CG2-CG2 4.03Å; Y260-I262 PolarHBondContact O-N 3.05Å; I262-K266 HydrophobicContact CG2-CB 3.9Å; I262-R267 HydrophobicContact CG2-CB 4.43Å | ||
| 263 | P | 94.9 | Very high | 90.5 | Very high | 76 Ų | 76 | 104.5 Ų | 104.5 | 49% | 0.494 | 56% | 0.563 | S | S | . | * | trans | -62.4 | 153.2 | 177.7 | 30.3 | -37.5 | 0 | 0 | 0 | 111.1 | D265 K266 R267 | P263-D265 VanDerWaalsContact C-N 3.31Å; P263-D265 VanDerWaalsContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CG-OD1 3.13Å; P263-D265 PolarHBondContact O-N 2.89Å; P263-K266 HydrophobicContact CG-CB 4.14Å; P263-K266 HydrophobicContact CG-CG 3.83Å; P263-K266 PolarHBondContact O-N 3.49Å; P263-R267 PolarHBondContact O-N 3.23Å | ||
| 264 | L | 90.8 | Very high | 90 | Very high | 134 Ų | 134 | 104.7 Ų | 104.7 | 70% | 0.702 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.3 | -37.2 | -170.1 | -65.6 | 175.5 | 0 | 0 | 0 | 112.7 | K266 R267 L268 | L264-K266 PolarHBondContact O-N 2.99Å; L264-R267 PolarHBondContact O-N 3.25Å; L264-L268 WeakPolarHBondContact O-CG 3.08Å; L264-L268 PolarHBondContact O-N 2.6Å |
| 265 | D | 90.8 | Very high | 89.8 | Confident | 89 Ų | 89 | 101.5 Ų | 101.5 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.9 | -45.3 | 177 | 70.1 | -43.8 | 0 | 0 | 0 | 111.3 | P263 L268 A269 | P263-D265 VanDerWaalsContact C-N 3.31Å; P263-D265 VanDerWaalsContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CB-OD1 3.29Å; P263-D265 WeakPolarHBondContact CG-OD1 3.13Å; P263-D265 PolarHBondContact O-N 2.89Å; D265-L268 PolarHBondContact O-N 2.83Å; D265-A269 WeakPolarHBondContact O-CA 3.42Å; D265-A269 VanDerWaalsContact O-CB 3.23Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 2.99Å |
| 266 | K | 93.4 | Very high | 89.2 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 47% | 0.47 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.9 | -27.8 | 178.6 | -57.8 | -54.2 | 179.8 | -121.4 | 0 | 113 | I251 I262 P263 L264 | I251-K266 HydrophobicContact CD1-CB 3.73Å; I251-K266 WeakPolarHBondContact CD1-O 3.4Å; I262-K266 HydrophobicContact CG2-CB 3.9Å; P263-K266 HydrophobicContact CG-CB 4.14Å; P263-K266 HydrophobicContact CG-CG 3.83Å; P263-K266 PolarHBondContact O-N 3.49Å; L264-K266 PolarHBondContact O-N 2.99Å |
| 267 | R | 88.4 | Confident | 88.8 | Confident | 96 Ų | 96 | 101.5 Ų | 101.5 | 36% | 0.362 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.1 | -39.1 | 173.8 | -169.7 | 175.4 | -67.2 | -135.2 | 2.2 | 111.8 | N253 I262 P263 L264 | N253-R267 WeakPolarHBondContact OD1-CG 3.43Å; N253-R267 PolarHBondContact OD1-O 3.21Å; I262-R267 HydrophobicContact CG2-CB 4.43Å; P263-R267 PolarHBondContact O-N 3.23Å; L264-R267 PolarHBondContact O-N 3.25Å |
| 268 | L | 88 | Confident | 88.3 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -89.7 | -10.4 | 178.6 | -61 | 173 | 0 | 0 | 0 | 113.1 | L264 D265 A270 D271 | L264-L268 WeakPolarHBondContact O-CG 3.08Å; L264-L268 PolarHBondContact O-N 2.6Å; D265-L268 PolarHBondContact O-N 2.83Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.44Å; L268-D271 WeakPolarHBondContact O-CB 3.48Å; L268-D271 PolarHBondContact O-N 2.93Å |
| 269 | A | 84.8 | Confident | 87.8 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -34.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D265 D271 | D265-A269 WeakPolarHBondContact O-CA 3.42Å; D265-A269 VanDerWaalsContact O-CB 3.23Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 2.99Å; A269-D271 PolarHBondContact O-N 3.17Å |
| 270 | A | 82.5 | Confident | 87.7 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -1.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L268 G272 | L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.44Å; A270-G272 PolarHBondContact O-N 3.11Å |
| 271 | D | 79.9 | Confident | 87.6 | Confident | 40 Ų | 40 | 104.1 Ų | 104.1 | 21% | 0.214 | 59% | 0.588 | C | S | . | * | trans | -86.8 | 99.1 | -175.6 | -157.1 | -25 | 0 | 0 | 0 | 110.3 | L268 A269 R273 | L268-D271 WeakPolarHBondContact O-CB 3.48Å; L268-D271 PolarHBondContact O-N 2.93Å; A269-D271 PolarHBondContact O-N 3.17Å; D271-R273 PolarHBondContact O-N 3.11Å; D271-R273 WeakPolarHBondContact OD1-CB 3.49Å; D271-R273 WeakPolarHBondContact OD1-CG 3.26Å; D271-R273 IonicContact OD1-CZ 3.04Å; D271-R273 PolarHBondContact OD1-N 3.4Å; D271-R273 IonicContact OD1-NE 3.46Å; D271-R273 PolarHBondContact OD1-NE 3.46Å; D271-R273 IonicContact OD2-CZ 3.09Å; D271-R273 IonicContact OD2-NE 2.84Å; D271-R273 PolarHBondContact OD2-NE 2.95Å; D271-R273 IonicContact OD2-NH2 3.23Å; D271-R273 PolarHBondContact OD2-NH2 3.27Å | ||
| 272 | G | 81.5 | Confident | 87.6 | Confident | 52 Ų | 52 | 104.2 Ų | 104.2 | 54% | 0.536 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -62.7 | -0.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | A270 G274 L275 Q276 | A270-G272 PolarHBondContact O-N 3.11Å; G272-G274 PolarHBondContact O-N 3.4Å; G272-L275 WeakPolarHBondContact O-CB 3.49Å; G272-L275 PolarHBondContact O-N 3.14Å; G272-Q276 PolarHBondContact O-N 3.49Å |
| 273 | R | 81.3 | Confident | 87.7 | Confident | 166 Ų | 166 | 106.8 Ų | 106.8 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -54.2 | -33 | 174.1 | -76 | -174.9 | -69.6 | 169 | 1.8 | 113 | D271 L275 Q276 | D271-R273 PolarHBondContact O-N 3.11Å; D271-R273 WeakPolarHBondContact OD1-CB 3.49Å; D271-R273 WeakPolarHBondContact OD1-CG 3.26Å; D271-R273 IonicContact OD1-CZ 3.04Å; D271-R273 PolarHBondContact OD1-N 3.4Å; D271-R273 IonicContact OD1-NE 3.46Å; D271-R273 PolarHBondContact OD1-NE 3.46Å; D271-R273 IonicContact OD2-CZ 3.09Å; D271-R273 IonicContact OD2-NE 2.84Å; D271-R273 PolarHBondContact OD2-NE 2.95Å; D271-R273 IonicContact OD2-NH2 3.23Å; D271-R273 PolarHBondContact OD2-NH2 3.27Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.98Å; R273-Q276 PolarHBondContact O-N 2.84Å |
| 274 | G | 80.9 | Confident | 87.7 | Confident | 80 Ų | 80 | 109.6 Ų | 109.6 | 83% | 0.825 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -72.3 | -18.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G272 | G272-G274 PolarHBondContact O-N 3.4Š|
| 275 | L | 85.9 | Confident | 87.9 | Confident | 158 Ų | 158 | 105.8 Ų | 105.8 | 83% | 0.827 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -16.4 | 176 | -170 | 61.6 | 0 | 0 | 0 | 111.9 | G272 R273 T277 | G272-L275 WeakPolarHBondContact O-CB 3.49Å; G272-L275 PolarHBondContact O-N 3.14Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.98Å; L275-T277 PolarHBondContact O-N 3.3Å |
| 276 | Q | 83.6 | Confident | 88.2 | Confident | 146 Ų | 146 | 107.5 Ų | 107.5 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | trans | -84.4 | 107.2 | 177.2 | -172.5 | 176.8 | 12.2 | 0 | 0 | 110.3 | G272 R273 | G272-Q276 PolarHBondContact O-N 3.49Å; R273-Q276 PolarHBondContact O-N 2.84Å | ||
| 277 | T | 84.6 | Confident | 88.3 | Confident | 89 Ų | 89 | 107 Ų | 107 | 55% | 0.546 | 59% | 0.59 | S | S | . | * | trans | -80.6 | 130.1 | 167.9 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | L275 H279 | L275-T277 PolarHBondContact O-N 3.3Å; T277-H279 PolarHBondContact O-CE1 2.96Å; T277-H279 PolarHBondContact O-N 3.34Å; T277-H279 PolarHBondContact O-ND1 2.76Å; T277-H279 VanDerWaalsContact O-ND1 3.08Å; T277-H279 PolarHBondContact OG1-CE1 3.08Å; T277-H279 PolarHBondContact OG1-NE2 3.33Å | ||
| 278 | V | 86 | Confident | 88.7 | Confident | 129 Ų | 129 | 105.2 Ų | 105.2 | 78% | 0.782 | 60% | 0.596 | S | S | * | * | trans | -78.7 | 106.9 | 175 | -178.7 | 0 | 0 | 0 | 0 | 108 | I280 | V278-I280 HydrophobicContact CG1-CG1 4.46Š| ||
| 279 | H | 87.1 | Confident | 89.1 | Confident | 162 Ų | 162 | 106.7 Ų | 106.7 | 75% | 0.75 | 60% | 0.6 | S | S | * | * | trans | -94.1 | 128.1 | 174.9 | -53.1 | 94 | 0 | 0 | 0 | 109.4 | T277 | T277-H279 PolarHBondContact O-CE1 2.96Å; T277-H279 PolarHBondContact O-N 3.34Å; T277-H279 PolarHBondContact O-ND1 2.76Å; T277-H279 VanDerWaalsContact O-ND1 3.08Å; T277-H279 PolarHBondContact OG1-CE1 3.08Å; T277-H279 PolarHBondContact OG1-NE2 3.33Å | ||
| 280 | I | 92 | Very high | 89.6 | Confident | 135 Ų | 135 | 105.7 Ų | 105.7 | 69% | 0.692 | 59% | 0.592 | S | S | * | * | trans | -106.9 | 133.9 | 176 | -60.6 | 172.1 | 0 | 0 | 0 | 108.4 | V278 F284 | V278-I280 HydrophobicContact CG1-CG1 4.46Å; I280-F284 HydrophobicContact CG2-CD2 3.93Å | ||
| 281 | N | 94.6 | Very high | 90.3 | Very high | 89 Ų | 89 | 107 Ų | 107 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | trans | -77.1 | 134.7 | -179.4 | -171.5 | -22 | 0 | 0 | 0 | 111.3 | N283 F284 | N281-N283 PolarHBondContact ND2-ND2 3.06Å; N281-N283 PolarHBondContact O-N 3.1Å; N281-N283 VanDerWaalsContact O-N 3.13Å; N281-N283 WeakPolarHBondContact OD1-CB 3.45Å; N281-N283 PolarHBondContact OD1-N 3.13Å; N281-F284 HydrophobicContact CB-CD2 4.02Å; N281-F284 HydrophobicContact CB-CE2 4.16Å; N281-F284 WeakPolarHBondContact O-CB 3.24Å; N281-F284 VanDerWaalsContact O-CD2 3.31Å; N281-F284 WeakPolarHBondContact O-CD2 3.4Å; N281-F284 PolarHBondContact O-N 3.09Å | ||
| 282 | E | 94.2 | Very high | 91.1 | Very high | 149 Ų | 149 | 113.3 Ų | 113.3 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -21.2 | 175.8 | -62.2 | -177.6 | 176.4 | 0 | 0 | 113.7 | F284 A285 K286 | E282-F284 PolarHBondContact O-N 3.33Å; E282-A285 WeakPolarHBondContact O-CB 3.4Å; E282-A285 PolarHBondContact O-N 2.87Å; E282-K286 PolarHBondContact O-N 3.18Å |
| 283 | N | 95.5 | Very high | 91.8 | Very high | 92 Ų | 92 | 115 Ų | 115 | 49% | 0.492 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.3 | -26.2 | 174.1 | -68.8 | -18.1 | 0 | 0 | 0 | 112.6 | N281 A285 K286 L287 | N281-N283 PolarHBondContact ND2-ND2 3.06Å; N281-N283 PolarHBondContact O-N 3.1Å; N281-N283 VanDerWaalsContact O-N 3.13Å; N281-N283 WeakPolarHBondContact OD1-CB 3.45Å; N281-N283 PolarHBondContact OD1-N 3.13Å; N283-A285 VanDerWaalsContact C-N 3.32Å; N283-K286 PolarHBondContact O-N 2.88Å; N283-L287 VanDerWaalsContact O-CB 3.27Å; N283-L287 WeakPolarHBondContact O-CB 3.31Å; N283-L287 PolarHBondContact O-N 3Å |
| 284 | F | 95.8 | Very high | 92.5 | Very high | 136 Ų | 136 | 109.6 Ų | 109.6 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.5 | -37.4 | 172.8 | -73.3 | -69.2 | 0 | 0 | 0 | 111.9 | I280 N281 E282 A288 | I280-F284 HydrophobicContact CG2-CD2 3.93Å; N281-F284 HydrophobicContact CB-CD2 4.02Å; N281-F284 HydrophobicContact CB-CE2 4.16Å; N281-F284 WeakPolarHBondContact O-CB 3.24Å; N281-F284 VanDerWaalsContact O-CD2 3.31Å; N281-F284 WeakPolarHBondContact O-CD2 3.4Å; N281-F284 PolarHBondContact O-N 3.09Å; E282-F284 PolarHBondContact O-N 3.33Å; F284-A288 VanDerWaalsContact O-CB 3.3Å; F284-A288 WeakPolarHBondContact O-CB 3.38Å; F284-A288 PolarHBondContact O-N 3.23Å |
| 285 | A | 95.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 109.5 Ų | 109.5 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.7 | -47.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E282 N283 L287 A288 E289 | E282-A285 WeakPolarHBondContact O-CB 3.4Å; E282-A285 PolarHBondContact O-N 2.87Å; N283-A285 VanDerWaalsContact C-N 3.32Å; A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 PolarHBondContact O-N 3.21Å; A285-A288 PolarHBondContact O-N 2.93Å; A285-E289 WeakPolarHBondContact O-CB 3.48Å; A285-E289 WeakPolarHBondContact O-CG 3.27Å; A285-E289 PolarHBondContact O-N 3.42Å |
| 286 | K | 95.9 | Very high | 93.8 | Very high | 124 Ų | 124 | 108.1 Ų | 108.1 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.4 | -41.4 | 176.7 | -64.6 | 176.9 | -175.2 | 167.2 | 0 | 112.2 | E282 N283 A290 | E282-K286 PolarHBondContact O-N 3.18Å; N283-K286 PolarHBondContact O-N 2.88Å; K286-A290 VanDerWaalsContact O-CB 3.24Å; K286-A290 WeakPolarHBondContact O-CB 3.44Å; K286-A290 PolarHBondContact O-N 3.19Å |
| 287 | L | 96.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 106.4 Ų | 106.4 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.9 | -45.6 | 176.8 | 178.9 | 63.6 | 0 | 0 | 0 | 111.5 | N283 A285 E289 A290 L291 | N283-L287 VanDerWaalsContact O-CB 3.27Å; N283-L287 WeakPolarHBondContact O-CB 3.31Å; N283-L287 PolarHBondContact O-N 3Å; A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 PolarHBondContact O-N 3.21Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.48Å; L287-A290 PolarHBondContact O-N 2.92Å; L287-L291 HydrophobicContact CD1-CD1 4.21Å; L287-L291 HydrophobicContact CD1-CG 4.25Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 WeakPolarHBondContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 2.87Å |
| 288 | A | 97 | Very high | 95 | Very high | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | F284 A285 L291 Y292 | F284-A288 VanDerWaalsContact O-CB 3.3Å; F284-A288 WeakPolarHBondContact O-CB 3.38Å; F284-A288 PolarHBondContact O-N 3.23Å; A285-A288 PolarHBondContact O-N 2.93Å; A288-L291 PolarHBondContact O-N 3.43Å; A288-Y292 WeakPolarHBondContact O-CB 3.3Å; A288-Y292 PolarHBondContact O-N 3.34Å |
| 289 | E | 95.7 | Very high | 95.4 | Very high | 127 Ų | 127 | 106.4 Ų | 106.4 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 175.7 | -73 | 179.4 | 178.2 | 0 | 0 | 112 | A285 L287 L291 Y292 I293 | A285-E289 WeakPolarHBondContact O-CB 3.48Å; A285-E289 WeakPolarHBondContact O-CG 3.27Å; A285-E289 PolarHBondContact O-N 3.42Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.48Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.93Å; E289-Y292 PolarHBondContact O-N 3.45Å; E289-I293 WeakPolarHBondContact O-CB 3.45Å; E289-I293 VanDerWaalsContact O-CG1 3.27Å; E289-I293 WeakPolarHBondContact O-CG1 3.31Å; E289-I293 PolarHBondContact O-N 2.95Å |
| 290 | A | 96.5 | Very high | 95.8 | Very high | 54 Ų | 54 | 102 Ų | 102 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K286 L287 I293 A294 | K286-A290 VanDerWaalsContact O-CB 3.24Å; K286-A290 WeakPolarHBondContact O-CB 3.44Å; K286-A290 PolarHBondContact O-N 3.19Å; L287-A290 PolarHBondContact O-N 2.92Å; A290-I293 PolarHBondContact O-N 3.49Å; A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.33Å; A290-A294 PolarHBondContact O-N 2.88Å |
| 291 | L | 96.6 | Very high | 95.9 | Very high | 110 Ų | 110 | 97.3 Ų | 97.3 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 176 | -72.1 | 175.2 | 0 | 0 | 0 | 112 | L287 A288 E289 A294 D295 | L287-L291 HydrophobicContact CD1-CD1 4.21Å; L287-L291 HydrophobicContact CD1-CG 4.25Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 WeakPolarHBondContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 2.87Å; A288-L291 PolarHBondContact O-N 3.43Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.93Å; L291-A294 PolarHBondContact O-N 3.3Å; L291-D295 PolarHBondContact O-N 3Å |
| 292 | Y | 96.6 | Very high | 96 | Very high | 172 Ų | 172 | 97 Ų | 97 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 176.5 | -168.4 | -99.8 | 0 | 0 | 0 | 112 | A288 E289 D295 R296 | A288-Y292 WeakPolarHBondContact O-CB 3.3Å; A288-Y292 PolarHBondContact O-N 3.34Å; E289-Y292 PolarHBondContact O-N 3.45Å; Y292-D295 PolarHBondContact O-N 3.44Å; Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å |
| 293 | I | 96.4 | Very high | 96.1 | Very high | 86 Ų | 86 | 95.6 Ų | 95.6 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 173.9 | -68 | 166.4 | 0 | 0 | 0 | 110.5 | E289 A290 R296 K297 | E289-I293 WeakPolarHBondContact O-CB 3.45Å; E289-I293 VanDerWaalsContact O-CG1 3.27Å; E289-I293 WeakPolarHBondContact O-CG1 3.31Å; E289-I293 PolarHBondContact O-N 2.95Å; A290-I293 PolarHBondContact O-N 3.49Å; I293-R296 PolarHBondContact O-N 2.73Å; I293-K297 WeakPolarHBondContact O-CG 3.43Å; I293-K297 PolarHBondContact O-N 2.89Å |
| 294 | A | 96.7 | Very high | 96 | Very high | 54 Ų | 54 | 96.7 Ų | 96.7 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A290 L291 R296 K297 A298 | A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.33Å; A290-A294 PolarHBondContact O-N 2.88Å; L291-A294 PolarHBondContact O-N 3.3Å; A294-R296 PolarHBondContact O-N 2.86Å; A294-K297 PolarHBondContact O-N 3.35Å; A294-A298 WeakPolarHBondContact O-CB 3.27Å; A294-A298 PolarHBondContact O-N 2.84Å |
| 295 | D | 96.2 | Very high | 96 | Very high | 78 Ų | 78 | 97.4 Ų | 97.4 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.1 | -174.9 | 61.2 | 0 | 0 | 0 | 111.4 | L291 Y292 K297 A298 R299 | L291-D295 PolarHBondContact O-N 3Å; Y292-D295 PolarHBondContact O-N 3.44Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 2.94Å; D295-A298 PolarHBondContact O-N 3.4Å; D295-R299 WeakPolarHBondContact O-CG 3.43Å; D295-R299 PolarHBondContact O-N 3.29Å; D295-R299 IonicContact OD1-NE 3.56Å; D295-R299 IonicContact OD2-CZ 2.71Å; D295-R299 IonicContact OD2-NE 3.73Å; D295-R299 PolarHBondContact OD2-NE 3.39Å; D295-R299 IonicContact OD2-NH2 2.66Å |
| 296 | R | 96.4 | Very high | 96 | Very high | 129 Ų | 129 | 97.3 Ų | 97.3 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 176.5 | -174.3 | 175.6 | 64 | -177 | -0.7 | 111.7 | Y292 I293 A294 R299 E300 | Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å; I293-R296 PolarHBondContact O-N 2.73Å; A294-R296 PolarHBondContact O-N 2.86Å; R296-R299 PolarHBondContact O-N 3.02Å; R296-E300 WeakPolarHBondContact O-CG 3.37Å; R296-E300 PolarHBondContact O-N 3.48Å |
| 297 | K | 96.8 | Very high | 95.9 | Very high | 110 Ų | 110 | 96.1 Ų | 96.1 | 48% | 0.478 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 178.2 | -70.2 | -56.6 | -178.4 | -169.4 | 0 | 113.1 | I293 A294 D295 E300 A301 | I293-K297 WeakPolarHBondContact O-CG 3.43Å; I293-K297 PolarHBondContact O-N 2.89Å; A294-K297 PolarHBondContact O-N 3.35Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 2.94Å; K297-E300 VanDerWaalsContact CD-OE2 3.27Å; K297-E300 WeakPolarHBondContact CD-OE2 3.39Å; K297-E300 IonicContact NZ-OE1 3.53Å; K297-E300 IonicContact NZ-OE2 3.5Å; K297-E300 PolarHBondContact NZ-OE2 3.24Å; K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.07Å |
| 298 | A | 96.5 | Very high | 95.8 | Very high | 52 Ų | 52 | 95.8 Ų | 95.8 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A294 D295 A301 V302 | A294-A298 WeakPolarHBondContact O-CB 3.27Å; A294-A298 PolarHBondContact O-N 2.84Å; D295-A298 PolarHBondContact O-N 3.4Å; A298-A301 PolarHBondContact O-N 3.37Å; A298-V302 VanDerWaalsContact O-CG2 3.28Å; A298-V302 WeakPolarHBondContact O-CG2 3.49Å; A298-V302 PolarHBondContact O-N 3.26Å |
| 299 | R | 95.8 | Very high | 95.6 | Very high | 165 Ų | 165 | 99.5 Ų | 99.5 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.2 | -48.3 | 175.8 | -70.6 | 174.3 | -175.4 | -97.2 | -2.4 | 112.4 | D295 R296 A301 V302 E303 | D295-R299 WeakPolarHBondContact O-CG 3.43Å; D295-R299 PolarHBondContact O-N 3.29Å; D295-R299 IonicContact OD1-NE 3.56Å; D295-R299 IonicContact OD2-CZ 2.71Å; D295-R299 IonicContact OD2-NE 3.73Å; D295-R299 PolarHBondContact OD2-NE 3.39Å; D295-R299 IonicContact OD2-NH2 2.66Å; R296-R299 PolarHBondContact O-N 3.02Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.5Å; R299-V302 PolarHBondContact O-N 3Å; R299-E303 WeakPolarHBondContact O-CB 3.45Å; R299-E303 PolarHBondContact O-N 3.33Å |
| 300 | E | 95.1 | Very high | 95.5 | Very high | 71 Ų | 71 | 101 Ų | 101 | 33% | 0.332 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.5 | -44.9 | 175 | -73.6 | 171.9 | -162.9 | 0 | 0 | 111.1 | R296 K297 E303 M304 | R296-E300 WeakPolarHBondContact O-CG 3.37Å; R296-E300 PolarHBondContact O-N 3.48Å; K297-E300 VanDerWaalsContact CD-OE2 3.27Å; K297-E300 WeakPolarHBondContact CD-OE2 3.39Å; K297-E300 IonicContact NZ-OE1 3.53Å; K297-E300 IonicContact NZ-OE2 3.5Å; K297-E300 PolarHBondContact NZ-OE2 3.24Å; E300-E303 PolarHBondContact O-N 3.43Å; E300-M304 WeakPolarHBondContact O-CB 3.35Å; E300-M304 WeakPolarHBondContact O-CG 3.47Å; E300-M304 PolarHBondContact O-N 3.06Å |
| 301 | A | 94.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 105.1 Ų | 105.1 | 30% | 0.298 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K297 A298 R299 R305 | K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.07Å; A298-A301 PolarHBondContact O-N 3.37Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.5Å; A301-R305 WeakPolarHBondContact O-CB 3.5Å; A301-R305 WeakPolarHBondContact O-CG 3.47Å; A301-R305 PolarHBondContact O-N 3.44Å; A301-R305 VanDerWaalsContact O-N 3.14Å; A301-R305 PolarHBondContact O-NE 3.11Å |
| 302 | V | 96.4 | Very high | 95.1 | Very high | 81 Ų | 81 | 105.7 Ų | 105.7 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | A298 R299 R305 A306 | A298-V302 VanDerWaalsContact O-CG2 3.28Å; A298-V302 WeakPolarHBondContact O-CG2 3.49Å; A298-V302 PolarHBondContact O-N 3.26Å; R299-V302 PolarHBondContact O-N 3Å; V302-R305 PolarHBondContact O-N 3.14Å; V302-A306 WeakPolarHBondContact O-CB 3.24Å; V302-A306 PolarHBondContact O-N 3.34Å |
| 303 | E | 95.2 | Very high | 94.9 | Very high | 120 Ų | 120 | 99.8 Ų | 99.8 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 178.5 | -173 | 176.4 | 178.6 | 0 | 0 | 111.7 | R299 E300 R305 A306 Q307 | R299-E303 WeakPolarHBondContact O-CB 3.45Å; R299-E303 PolarHBondContact O-N 3.33Å; E300-E303 PolarHBondContact O-N 3.43Å; E303-R305 VanDerWaalsContact C-N 3.34Å; E303-R305 PolarHBondContact O-N 3.45Å; E303-A306 PolarHBondContact O-N 3.34Å; E303-Q307 WeakPolarHBondContact O-CG 3.49Å; E303-Q307 PolarHBondContact O-N 3.2Å; E303-Q307 PolarHBondContact OE1-NE2 2.94Å |
| 304 | M | 94.4 | Very high | 94.6 | Very high | 115 Ų | 115 | 102 Ų | 102 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 175.3 | -75.2 | -170.4 | -68.8 | 0 | 0 | 112 | E300 Q307 V308 | E300-M304 WeakPolarHBondContact O-CB 3.35Å; E300-M304 WeakPolarHBondContact O-CG 3.47Å; E300-M304 PolarHBondContact O-N 3.06Å; M304-Q307 PolarHBondContact O-N 3.36Å; M304-V308 WeakPolarHBondContact O-CG2 3.47Å; M304-V308 PolarHBondContact O-N 3.25Å |
| 305 | R | 94.8 | Very high | 94.4 | Very high | 151 Ų | 151 | 105.7 Ų | 105.7 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -46.4 | 175.7 | -79.8 | -176 | -69.7 | -175.5 | 1.1 | 111.7 | A301 V302 E303 Q307 V308 E309 | A301-R305 WeakPolarHBondContact O-CB 3.5Å; A301-R305 WeakPolarHBondContact O-CG 3.47Å; A301-R305 PolarHBondContact O-N 3.44Å; A301-R305 VanDerWaalsContact O-N 3.14Å; A301-R305 PolarHBondContact O-NE 3.11Å; V302-R305 PolarHBondContact O-N 3.14Å; E303-R305 VanDerWaalsContact C-N 3.34Å; E303-R305 PolarHBondContact O-N 3.45Å; R305-Q307 VanDerWaalsContact C-N 3.3Å; R305-Q307 PolarHBondContact O-N 3.14Å; R305-V308 PolarHBondContact O-N 3.42Å; R305-V308 VanDerWaalsContact O-N 3.17Å; R305-E309 WeakPolarHBondContact O-CB 3.38Å; R305-E309 WeakPolarHBondContact O-CG 3.28Å; R305-E309 PolarHBondContact O-N 2.91Å |
| 306 | A | 95.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 107 Ų | 107 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V302 E303 K310 | V302-A306 WeakPolarHBondContact O-CB 3.24Å; V302-A306 PolarHBondContact O-N 3.34Å; E303-A306 PolarHBondContact O-N 3.34Å; A306-K310 VanDerWaalsContact O-CB 3.25Å; A306-K310 WeakPolarHBondContact O-CB 3.44Å; A306-K310 PolarHBondContact O-N 2.87Å |
| 307 | Q | 94.4 | Very high | 93.8 | Very high | 100 Ų | 100 | 107.5 Ų | 107.5 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 175.2 | -71.3 | -178 | 12.6 | 0 | 0 | 112.5 | E303 M304 R305 K310 K311 | E303-Q307 WeakPolarHBondContact O-CG 3.49Å; E303-Q307 PolarHBondContact O-N 3.2Å; E303-Q307 PolarHBondContact OE1-NE2 2.94Å; M304-Q307 PolarHBondContact O-N 3.36Å; R305-Q307 VanDerWaalsContact C-N 3.3Å; R305-Q307 PolarHBondContact O-N 3.14Å; Q307-K310 PolarHBondContact O-N 3.42Å; Q307-K311 WeakPolarHBondContact O-CG 3.37Å; Q307-K311 PolarHBondContact O-N 3.31Å |
| 308 | V | 94.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 107.5 Ų | 107.5 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | M304 R305 K310 K311 M312 | M304-V308 WeakPolarHBondContact O-CG2 3.47Å; M304-V308 PolarHBondContact O-N 3.25Å; R305-V308 PolarHBondContact O-N 3.42Å; R305-V308 VanDerWaalsContact O-N 3.17Å; V308-K310 VanDerWaalsContact C-N 3.3Å; V308-K310 PolarHBondContact O-N 3.03Å; V308-K311 PolarHBondContact O-N 3.18Å; V308-K311 VanDerWaalsContact O-N 3.15Å; V308-M312 HydrophobicContact CG1-CG 4.44Å; V308-M312 WeakPolarHBondContact O-CG 3.33Å; V308-M312 PolarHBondContact O-N 3.04Å |
| 309 | E | 92.5 | Very high | 93.1 | Very high | 137 Ų | 137 | 112.1 Ų | 112.1 | 64% | 0.64 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59 | -42.6 | 175.6 | -74.6 | -177.8 | 176.9 | 0 | 0 | 111.3 | R305 K311 M312 A313 | R305-E309 WeakPolarHBondContact O-CB 3.38Å; R305-E309 WeakPolarHBondContact O-CG 3.28Å; R305-E309 PolarHBondContact O-N 2.91Å; E309-K311 PolarHBondContact O-N 2.96Å; E309-M312 PolarHBondContact O-N 2.97Å; E309-A313 WeakPolarHBondContact O-CB 3.44Å; E309-A313 PolarHBondContact O-N 3.29Å |
| 310 | K | 93.3 | Very high | 92.7 | Very high | 158 Ų | 158 | 109.6 Ų | 109.6 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 175 | -170.8 | 176.8 | -178.6 | 179.9 | 0 | 112.2 | A306 Q307 V308 A313 Q314 | A306-K310 VanDerWaalsContact O-CB 3.25Å; A306-K310 WeakPolarHBondContact O-CB 3.44Å; A306-K310 PolarHBondContact O-N 2.87Å; Q307-K310 PolarHBondContact O-N 3.42Å; V308-K310 VanDerWaalsContact C-N 3.3Å; V308-K310 PolarHBondContact O-N 3.03Å; K310-A313 PolarHBondContact O-N 3.02Å; K310-Q314 WeakPolarHBondContact O-CB 3.49Å; K310-Q314 PolarHBondContact O-N 3.26Å |
| 311 | K | 93.8 | Very high | 92.3 | Very high | 140 Ų | 140 | 112.4 Ų | 112.4 | 61% | 0.609 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 175.2 | -79.9 | -178.8 | 177.8 | 175.9 | 0 | 112.2 | Q307 V308 E309 Q314 K315 | Q307-K311 WeakPolarHBondContact O-CG 3.37Å; Q307-K311 PolarHBondContact O-N 3.31Å; V308-K311 PolarHBondContact O-N 3.18Å; V308-K311 VanDerWaalsContact O-N 3.15Å; E309-K311 PolarHBondContact O-N 2.96Å; K311-Q314 PolarHBondContact O-N 3.49Å; K311-K315 PolarHBondContact O-N 3.2Å |
| 312 | M | 90.6 | Very high | 91.9 | Very high | 123 Ų | 123 | 116 Ų | 116 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.6 | -44.9 | 176.2 | -71.5 | -64.4 | -73.1 | 0 | 0 | 111.1 | V308 E309 Q314 K315 E316 | V308-M312 HydrophobicContact CG1-CG 4.44Å; V308-M312 WeakPolarHBondContact O-CG 3.33Å; V308-M312 PolarHBondContact O-N 3.04Å; E309-M312 PolarHBondContact O-N 2.97Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.37Å; M312-K315 PolarHBondContact O-N 2.9Å; M312-E316 WeakPolarHBondContact O-CB 3.48Å; M312-E316 PolarHBondContact O-N 3.31Å |
| 313 | A | 92.5 | Very high | 91.4 | Very high | 48 Ų | 48 | 118.9 Ų | 118.9 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.9 | -37.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | E309 K310 E316 K317 | E309-A313 WeakPolarHBondContact O-CB 3.44Å; E309-A313 PolarHBondContact O-N 3.29Å; K310-A313 PolarHBondContact O-N 3.02Å; A313-E316 PolarHBondContact O-N 3.47Å; A313-K317 WeakPolarHBondContact O-CG 3.25Å; A313-K317 PolarHBondContact O-N 3.34Å |
| 314 | Q | 90.1 | Very high | 90.9 | Very high | 132 Ų | 132 | 118.6 Ų | 118.6 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.5 | -45.4 | 175.5 | -170.6 | 172.9 | 2.6 | 0 | 0 | 111.9 | K310 K311 M312 E316 K317 E318 | K310-Q314 WeakPolarHBondContact O-CB 3.49Å; K310-Q314 PolarHBondContact O-N 3.26Å; K311-Q314 PolarHBondContact O-N 3.49Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.37Å; Q314-E316 VanDerWaalsContact C-N 3.3Å; Q314-E316 PolarHBondContact O-N 2.91Å; Q314-K317 WeakPolarHBondContact O-CB 3.4Å; Q314-K317 PolarHBondContact O-N 2.96Å; Q314-E318 WeakPolarHBondContact O-CB 3.34Å; Q314-E318 PolarHBondContact O-N 3.26Å |
| 315 | K | 92.3 | Very high | 90.5 | Very high | 132 Ų | 132 | 122.1 Ų | 122.1 | 57% | 0.574 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -36.7 | 173.4 | -77.2 | -174 | 175.5 | -175 | 0 | 112.5 | K311 M312 E318 K319 | K311-K315 PolarHBondContact O-N 3.2Å; M312-K315 PolarHBondContact O-N 2.9Å; K315-E318 PolarHBondContact O-N 2.85Å; K315-K319 WeakPolarHBondContact O-CG 3.39Å; K315-K319 PolarHBondContact O-N 3.17Å |
| 316 | E | 90 | Very high | 89.9 | Confident | 104 Ų | 104 | 121.2 Ų | 121.2 | 49% | 0.486 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69 | -38.3 | 176.2 | -160.6 | -166.1 | 145.6 | 0 | 0 | 111.6 | M312 A313 Q314 K320 | M312-E316 WeakPolarHBondContact O-CB 3.48Å; M312-E316 PolarHBondContact O-N 3.31Å; A313-E316 PolarHBondContact O-N 3.47Å; Q314-E316 VanDerWaalsContact C-N 3.3Å; Q314-E316 PolarHBondContact O-N 2.91Å; E316-K320 WeakPolarHBondContact O-CG 3.5Å; E316-K320 PolarHBondContact O-N 2.94Å; E316-K320 WeakPolarHBondContact OE1-CE 3.42Å; E316-K320 IonicContact OE1-NZ 3.18Å; E316-K320 PolarHBondContact OE1-NZ 3.46Å |
| 317 | K | 90.8 | Very high | 89.2 | Confident | 141 Ų | 141 | 123.6 Ų | 123.6 | 61% | 0.613 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.6 | -45.7 | 171.2 | -78 | -173.6 | 176.5 | -169.9 | 0 | 111.7 | A313 Q314 K319 K320 E321 | A313-K317 WeakPolarHBondContact O-CG 3.25Å; A313-K317 PolarHBondContact O-N 3.34Å; Q314-K317 WeakPolarHBondContact O-CB 3.4Å; Q314-K317 PolarHBondContact O-N 2.96Å; K317-K319 PolarHBondContact O-N 2.82Å; K317-K320 CarbonylContact O-C 3.58Å; K317-K320 WeakPolarHBondContact O-CA 3.43Å; K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 2.96Å; K317-K320 VanDerWaalsContact O-N 3.07Å; K317-E321 WeakPolarHBondContact O-CG 3.42Å; K317-E321 PolarHBondContact O-N 2.93Å |
| 318 | E | 88.2 | Confident | 88.5 | Confident | 110 Ų | 110 | 121 Ų | 121 | 51% | 0.514 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.7 | -46.3 | 176.8 | -173.6 | 175.7 | -160.5 | 0 | 0 | 111.4 | Q314 K315 K320 E321 E322 | Q314-E318 WeakPolarHBondContact O-CB 3.34Å; Q314-E318 PolarHBondContact O-N 3.26Å; K315-E318 PolarHBondContact O-N 2.85Å; E318-K320 VanDerWaalsContact C-N 3.31Å; E318-K320 PolarHBondContact O-N 3.35Å; E318-E321 WeakPolarHBondContact O-CB 3.38Å; E318-E321 PolarHBondContact O-N 3.14Å; E318-E321 VanDerWaalsContact O-N 3.14Å; E318-E322 PolarHBondContact O-N 2.81Å |
| 319 | K | 89 | Confident | 87.7 | Confident | 148 Ų | 148 | 122.1 Ų | 122.1 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60 | -37.9 | 172.9 | -75 | -178.8 | 178.5 | -173.6 | 0 | 113.2 | K315 K317 K323 | K315-K319 WeakPolarHBondContact O-CG 3.39Å; K315-K319 PolarHBondContact O-N 3.17Å; K317-K319 PolarHBondContact O-N 2.82Å; K319-K323 WeakPolarHBondContact O-CB 3.39Å; K319-K323 PolarHBondContact O-N 3.25Å |
| 320 | K | 88.1 | Confident | 86.8 | Confident | 112 Ų | 112 | 121.8 Ų | 121.8 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.5 | -39.7 | 175.6 | -75.2 | 171.7 | -174.6 | 167.7 | 0 | 110.9 | E316 K317 E318 K323 L324 | E316-K320 WeakPolarHBondContact O-CG 3.5Å; E316-K320 PolarHBondContact O-N 2.94Å; E316-K320 WeakPolarHBondContact OE1-CE 3.42Å; E316-K320 IonicContact OE1-NZ 3.18Å; E316-K320 PolarHBondContact OE1-NZ 3.46Å; K317-K320 CarbonylContact O-C 3.58Å; K317-K320 WeakPolarHBondContact O-CA 3.43Å; K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 2.96Å; K317-K320 VanDerWaalsContact O-N 3.07Å; E318-K320 VanDerWaalsContact C-N 3.31Å; E318-K320 PolarHBondContact O-N 3.35Å; K320-K323 PolarHBondContact O-N 3.27Å; K320-L324 WeakPolarHBondContact O-CB 3.49Å; K320-L324 WeakPolarHBondContact O-CG 3.32Å; K320-L324 PolarHBondContact O-N 2.87Å |
| 321 | E | 86.8 | Confident | 85.7 | Confident | 131 Ų | 131 | 116.9 Ų | 116.9 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -43.3 | 175.4 | -73.4 | 176 | -170 | 0 | 0 | 112.1 | K317 E318 L324 R325 | K317-E321 WeakPolarHBondContact O-CG 3.42Å; K317-E321 PolarHBondContact O-N 2.93Å; E318-E321 WeakPolarHBondContact O-CB 3.38Å; E318-E321 PolarHBondContact O-N 3.14Å; E318-E321 VanDerWaalsContact O-N 3.14Å; E321-L324 PolarHBondContact O-N 3.15Å; E321-R325 WeakPolarHBondContact O-CB 3.33Å; E321-R325 PolarHBondContact O-N 2.84Å |
| 322 | E | 85.8 | Confident | 84.6 | Confident | 111 Ų | 111 | 119.1 Ų | 119.1 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.4 | -45.7 | 172.6 | -75.4 | -176.2 | 153.5 | 0 | 0 | 111.7 | E318 L324 R325 E326 | E318-E322 PolarHBondContact O-N 2.81Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 2.91Å; E322-R325 CarbonylContact O-C 3.56Å; E322-R325 WeakPolarHBondContact O-CA 3.22Å; E322-R325 VanDerWaalsContact O-CB 3.28Å; E322-R325 WeakPolarHBondContact O-CB 3.19Å; E322-R325 PolarHBondContact O-N 3.01Å; E322-E326 PolarHBondContact O-N 3.42Å |
| 323 | K | 87.4 | Confident | 83.3 | Confident | 141 Ų | 141 | 118.4 Ų | 118.4 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | 176.9 | -171.7 | 167.1 | -174.4 | 170.1 | 0 | 112.5 | K319 K320 R325 L327 | K319-K323 WeakPolarHBondContact O-CB 3.39Å; K319-K323 PolarHBondContact O-N 3.25Å; K320-K323 PolarHBondContact O-N 3.27Å; K323-R325 VanDerWaalsContact C-N 3.32Å; K323-L327 WeakPolarHBondContact O-CB 3.49Å; K323-L327 PolarHBondContact O-N 3.47Å |
| 324 | L | 83.8 | Confident | 81.7 | Confident | 115 Ų | 115 | 124.2 Ų | 124.2 | 60% | 0.602 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.3 | -34.6 | 172.7 | -73.8 | 168.5 | 0 | 0 | 0 | 111.6 | K320 E321 E322 A328 | K320-L324 WeakPolarHBondContact O-CB 3.49Å; K320-L324 WeakPolarHBondContact O-CG 3.32Å; K320-L324 PolarHBondContact O-N 2.87Å; E321-L324 PolarHBondContact O-N 3.15Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 2.91Å; L324-A328 VanDerWaalsContact O-CB 3.25Å; L324-A328 WeakPolarHBondContact O-CB 3.37Å; L324-A328 PolarHBondContact O-N 3.4Å |
| 325 | R | 85.6 | Confident | 80.1 | Confident | 189 Ų | 189 | 128.9 Ų | 128.9 | 71% | 0.713 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.7 | -43.6 | 175.8 | -166.2 | -179.8 | -167.1 | 161.1 | 3.6 | 111.7 | E321 E322 K323 A328 Q329 | E321-R325 WeakPolarHBondContact O-CB 3.33Å; E321-R325 PolarHBondContact O-N 2.84Å; E322-R325 CarbonylContact O-C 3.56Å; E322-R325 WeakPolarHBondContact O-CA 3.22Å; E322-R325 VanDerWaalsContact O-CB 3.28Å; E322-R325 WeakPolarHBondContact O-CB 3.19Å; E322-R325 PolarHBondContact O-N 3.01Å; K323-R325 VanDerWaalsContact C-N 3.32Å; R325-A328 PolarHBondContact O-N 3.39Å; R325-Q329 WeakPolarHBondContact O-CB 3.28Å; R325-Q329 PolarHBondContact O-N 3.21Å |
| 326 | E | 82.6 | Confident | 78.4 | Confident | 132 Ų | 132 | 126.4 Ų | 126.4 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62 | -45.7 | 173.5 | -73.5 | -179.8 | 169.8 | 0 | 0 | 111.6 | E322 A328 Q329 M330 | E322-E326 PolarHBondContact O-N 3.42Å; E326-A328 VanDerWaalsContact C-N 3.34Å; E326-A328 PolarHBondContact O-N 2.74Å; E326-Q329 PolarHBondContact O-N 3.3Å; E326-Q329 VanDerWaalsContact O-N 3.16Å; E326-M330 PolarHBondContact O-N 3.41Å |
| 327 | L | 81 | Confident | 76.1 | Confident | 101 Ų | 101 | 124.1 Ų | 124.1 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.9 | -41.5 | 174.2 | -92.1 | 160.5 | 0 | 0 | 0 | 112.2 | K323 Q329 A331 | K323-L327 WeakPolarHBondContact O-CB 3.49Å; K323-L327 PolarHBondContact O-N 3.47Å; L327-Q329 VanDerWaalsContact C-N 3.3Å; L327-Q329 PolarHBondContact O-N 2.88Å; L327-A331 VanDerWaalsContact O-CB 3.27Å; L327-A331 WeakPolarHBondContact O-CB 3.46Å; L327-A331 PolarHBondContact O-N 3.39Å |
| 328 | A | 80.5 | Confident | 73.7 | Confident | 47 Ų | 47 | 125 Ų | 125 | 39% | 0.388 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.4 | -31.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L324 R325 E326 R332 | L324-A328 VanDerWaalsContact O-CB 3.25Å; L324-A328 WeakPolarHBondContact O-CB 3.37Å; L324-A328 PolarHBondContact O-N 3.4Å; R325-A328 PolarHBondContact O-N 3.39Å; E326-A328 VanDerWaalsContact C-N 3.34Å; E326-A328 PolarHBondContact O-N 2.74Å; A328-R332 WeakPolarHBondContact O-CB 3.43Å; A328-R332 WeakPolarHBondContact O-CG 3.38Å; A328-R332 PolarHBondContact O-N 3.42Å |
| 329 | Q | 78.1 | Confident | 71.5 | Confident | 113 Ų | 113 | 130 Ų | 130 | 53% | 0.528 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.4 | -45.9 | 175.6 | -163.3 | 163.6 | -3.4 | 0 | 0 | 110.9 | R325 E326 L327 A331 R332 D333 | R325-Q329 WeakPolarHBondContact O-CB 3.28Å; R325-Q329 PolarHBondContact O-N 3.21Å; E326-Q329 PolarHBondContact O-N 3.3Å; E326-Q329 VanDerWaalsContact O-N 3.16Å; L327-Q329 VanDerWaalsContact C-N 3.3Å; L327-Q329 PolarHBondContact O-N 2.88Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 3.42Å; Q329-R332 CarbonylContact O-C 3.56Å; Q329-R332 WeakPolarHBondContact O-CA 3.41Å; Q329-R332 WeakPolarHBondContact O-CB 3.31Å; Q329-R332 PolarHBondContact O-N 3.23Å; Q329-D333 VanDerWaalsContact O-CG 3.23Å; Q329-D333 PolarHBondContact O-N 3.4Å |
| 330 | M | 72.8 | Confident | 69 | Low | 130 Ų | 130 | 127.9 Ų | 127.9 | 64% | 0.64 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.4 | -43.2 | 169.3 | -88.5 | -172 | 162.3 | 0 | 0 | 112.3 | E326 R332 D333 Q334 | E326-M330 PolarHBondContact O-N 3.41Å; M330-R332 VanDerWaalsContact C-N 3.31Å; M330-R332 PolarHBondContact O-N 2.87Å; M330-D333 PolarHBondContact O-N 3Å; M330-Q334 WeakPolarHBondContact O-CB 3.22Å; M330-Q334 WeakPolarHBondContact O-CG 3.45Å; M330-Q334 PolarHBondContact O-N 2.93Å |
| 331 | A | 70.1 | Confident | 66.6 | Low | 55 Ų | 55 | 131.9 Ų | 131.9 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.3 | -31.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L327 Q329 R335 | L327-A331 VanDerWaalsContact O-CB 3.27Å; L327-A331 WeakPolarHBondContact O-CB 3.46Å; L327-A331 PolarHBondContact O-N 3.39Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 3.42Å; A331-R335 WeakPolarHBondContact O-CB 3.25Å; A331-R335 PolarHBondContact O-N 2.91Å |
| 332 | R | 70.6 | Confident | 64.2 | Low | 186 Ų | 186 | 129.1 Ų | 129.1 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74 | -40 | 172.3 | -81.7 | 179.5 | 179.4 | 158.2 | 1.3 | 112 | A328 Q329 M330 Q334 R335 A336 | A328-R332 WeakPolarHBondContact O-CB 3.43Å; A328-R332 WeakPolarHBondContact O-CG 3.38Å; A328-R332 PolarHBondContact O-N 3.42Å; Q329-R332 CarbonylContact O-C 3.56Å; Q329-R332 WeakPolarHBondContact O-CA 3.41Å; Q329-R332 WeakPolarHBondContact O-CB 3.31Å; Q329-R332 PolarHBondContact O-N 3.23Å; M330-R332 VanDerWaalsContact C-N 3.31Å; M330-R332 PolarHBondContact O-N 2.87Å; R332-Q334 VanDerWaalsContact C-N 3.31Å; R332-Q334 PolarHBondContact O-N 2.99Å; R332-R335 CarbonylContact O-C 3.46Å; R332-R335 WeakPolarHBondContact O-CA 3.3Å; R332-R335 PolarHBondContact O-N 3.48Å; R332-A336 WeakPolarHBondContact O-CB 3.43Å; R332-A336 PolarHBondContact O-N 3.38Å |
| 333 | D | 63.9 | Low | 61.8 | Low | 109 Ų | 109 | 130 Ų | 130 | 58% | 0.583 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.1 | -36.4 | 177 | -65.8 | -20.5 | 0 | 0 | 0 | 110.9 | Q329 M330 R335 | Q329-D333 VanDerWaalsContact O-CG 3.23Å; Q329-D333 PolarHBondContact O-N 3.4Å; M330-D333 PolarHBondContact O-N 3Å; D333-R335 VanDerWaalsContact C-N 3.3Å; D333-R335 PolarHBondContact O-N 3.26Å |
| 334 | Q | 58.3 | Low | 59.6 | Low | 169 Ų | 169 | 131.9 Ų | 131.9 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.4 | -28.8 | 169.6 | -75 | -176.9 | -1.8 | 0 | 0 | 113.2 | M330 R332 | M330-Q334 WeakPolarHBondContact O-CB 3.22Å; M330-Q334 WeakPolarHBondContact O-CG 3.45Å; M330-Q334 PolarHBondContact O-N 2.93Å; R332-Q334 VanDerWaalsContact C-N 3.31Å; R332-Q334 PolarHBondContact O-N 2.99Å |
| 335 | R | 57.6 | Low | 57.3 | Low | 231 Ų | 231 | 130.5 Ų | 130.5 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -88.5 | -24.5 | 178.2 | -156.7 | -179.8 | -149.6 | -155.4 | 7.1 | 113.7 | A331 R332 D333 G337 | A331-R335 WeakPolarHBondContact O-CB 3.25Å; A331-R335 PolarHBondContact O-N 2.91Å; R332-R335 CarbonylContact O-C 3.46Å; R332-R335 WeakPolarHBondContact O-CA 3.3Å; R332-R335 PolarHBondContact O-N 3.48Å; D333-R335 VanDerWaalsContact C-N 3.3Å; D333-R335 PolarHBondContact O-N 3.26Å; R335-G337 VanDerWaalsContact C-N 3.31Å; R335-G337 PolarHBondContact O-N 3.2Å |
| 336 | A | 55.5 | Low | 55.1 | Low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -85.5 | 3.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R332 | R332-A336 WeakPolarHBondContact O-CB 3.43Å; R332-A336 PolarHBondContact O-N 3.38Å |
| 337 | G | 41.7 | Very low | 53.4 | Low | 56 Ų | 56 | 127.7 Ų | 127.7 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | trans | 58 | 89.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R335 K339 | R335-G337 VanDerWaalsContact C-N 3.31Å; R335-G337 PolarHBondContact O-N 3.2Å; G337-K339 PolarHBondContact O-N 3.33Å | ||
| 338 | I | 40 | Very low | 52.2 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -83.1 | 103.9 | 146 | -68.2 | 174.3 | 0 | 0 | 0 | 107 | S340 | I338-S340 PolarHBondContact O-N 3.07Å; I338-S340 VanDerWaalsContact O-N 3.16Å | ||
| 339 | K | 43.4 | Very low | 50.9 | Low | 213 Ų | 213 | 129.8 Ų | 129.8 | 93% | 0.926 | 72% | 0.719 | S | S | * | * | trans | -60.6 | 105.2 | 150.2 | -83.9 | -179.6 | 173 | -179.9 | 0 | 107.2 | G337 | G337-K339 PolarHBondContact O-N 3.33Š| ||
| 340 | S | 36 | Very low | 49.9 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -118.1 | 118 | 151.2 | -173.2 | 0 | 0 | 0 | 0 | 107.4 | I338 | I338-S340 PolarHBondContact O-N 3.07Å; I338-S340 VanDerWaalsContact O-N 3.16Å | ||
| 341 | H | 37.8 | Very low | 49.3 | Very low | 196 Ų | 196 | 127.2 Ų | 127.2 | 91% | 0.907 | 71% | 0.714 | S | S | * | * | trans | -48.8 | 133.8 | 169.6 | -95.7 | -89.7 | 0 | 0 | 0 | 111.2 | ||||
| 342 | G | 35.6 | Very low | 48.9 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | 149.7 | 93.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 343 | D | 36.3 | Very low | 48.3 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | 80.8 | 109.5 | 143.3 | -140.6 | 42.5 | 0 | 0 | 0 | 121.8 | ||||
| 344 | K | 41.1 | Very low | 48.3 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 78% | 0.778 | 71% | 0.713 | S | S | * | * | trans | 67.2 | 105.5 | 144.3 | -72.4 | 171.2 | -161.9 | 129.7 | 0 | 122.5 | ||||
| 345 | G | 34.8 | Very low | 48.3 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | 126.4 | 109.1 | 118.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 346 | G | 38.4 | Very low | 48.6 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | 127.4 | 73.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | D348 | G346-D348 PolarHBondContact O-N 2.91Å; G346-D348 VanDerWaalsContact O-N 3.08Å | ||
| 347 | E | 47.9 | Very low | 49.1 | Very low | 190 Ų | 190 | 122.6 Ų | 122.6 | 89% | 0.888 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 8.4 | -176.6 | -119.9 | 173.8 | 164.6 | 0 | 0 | 117 | ||
| 348 | D | 55.8 | Low | 50.4 | Low | 112 Ų | 112 | 126.7 Ų | 126.7 | 60% | 0.599 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -4.9 | -166.1 | -150.2 | 30 | 0 | 0 | 0 | 115.2 | G346 | G346-D348 PolarHBondContact O-N 2.91Å; G346-D348 VanDerWaalsContact O-N 3.08Å |
| 349 | S | 53.4 | Low | 51.7 | Low | 80 Ų | 80 | 124.8 Ų | 124.8 | 56% | 0.559 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -93.9 | -33 | 179.8 | -159.9 | 0 | 0 | 0 | 0 | 113.5 | A351 R352 E353 | S349-A351 VanDerWaalsContact C-N 3.34Å; S349-A351 PolarHBondContact O-N 2.97Å; S349-R352 PolarHBondContact O-N 3.38Å; S349-E353 PolarHBondContact O-N 2.84Å |
| 350 | E | 57.1 | Low | 52.5 | Low | 136 Ų | 136 | 119 Ų | 119 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.4 | -29.5 | -179.8 | -97.7 | -167.8 | 169.4 | 0 | 0 | 113.1 | R354 | E350-R354 WeakPolarHBondContact O-CB 3.36Å; E350-R354 PolarHBondContact O-N 3.35Å |
| 351 | A | 59.5 | Low | 54.1 | Low | 53 Ų | 53 | 121.5 Ų | 121.5 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.9 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S349 R354 D355 | S349-A351 VanDerWaalsContact C-N 3.34Å; S349-A351 PolarHBondContact O-N 2.97Å; A351-R354 PolarHBondContact O-N 3.07Å; A351-D355 PolarHBondContact O-N 3.46Å |
| 352 | R | 61.3 | Low | 55.8 | Low | 172 Ų | 172 | 120.5 Ų | 120.5 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -41.7 | 179.9 | -74.6 | -179.6 | 178.8 | 173.6 | 4.1 | 112.5 | S349 R354 D355 M356 | S349-R352 PolarHBondContact O-N 3.38Å; R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.01Å; R352-D355 PolarHBondContact O-N 3.14Å; R352-M356 WeakPolarHBondContact O-CG 3.27Å; R352-M356 PolarHBondContact O-N 2.85Å |
| 353 | E | 58.2 | Low | 57.5 | Low | 116 Ų | 116 | 123.1 Ų | 123.1 | 54% | 0.542 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.7 | -35.4 | 177 | -75.9 | -172.1 | 152.9 | 0 | 0 | 112.3 | S349 D355 I357 | S349-E353 PolarHBondContact O-N 2.84Å; E353-D355 VanDerWaalsContact C-N 3.33Å; E353-D355 PolarHBondContact O-N 3.36Å; E353-I357 WeakPolarHBondContact O-CD1 3.33Å; E353-I357 VanDerWaalsContact O-CG1 3.28Å; E353-I357 WeakPolarHBondContact O-CG1 3.43Å; E353-I357 PolarHBondContact O-N 2.84Å; E353-I357 VanDerWaalsContact O-N 3.14Å |
| 354 | R | 65.1 | Low | 58.6 | Low | 138 Ų | 138 | 121.7 Ų | 121.7 | 52% | 0.521 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.4 | -32.7 | 177.1 | -153.1 | 179.8 | -66 | 154.3 | 0.9 | 112.3 | E350 A351 R352 R358 | E350-R354 WeakPolarHBondContact O-CB 3.36Å; E350-R354 PolarHBondContact O-N 3.35Å; A351-R354 PolarHBondContact O-N 3.07Å; R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.01Å; R354-R358 WeakPolarHBondContact O-CG 3.49Å; R354-R358 PolarHBondContact O-N 2.69Å |
| 355 | D | 58.2 | Low | 60.1 | Low | 93 Ų | 93 | 120.7 Ų | 120.7 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -78.5 | -35.7 | 175.7 | -88.4 | -16 | 0 | 0 | 0 | 113.7 | A351 R352 E353 R358 H359 | A351-D355 PolarHBondContact O-N 3.46Å; R352-D355 PolarHBondContact O-N 3.14Å; E353-D355 VanDerWaalsContact C-N 3.33Å; E353-D355 PolarHBondContact O-N 3.36Å; D355-R358 PolarHBondContact O-N 2.99Å; D355-R358 IonicContact OD1-CZ 3.66Å; D355-R358 IonicContact OD1-NH1 2.86Å; D355-R358 PolarHBondContact OD1-NH1 3.21Å; D355-H359 WeakPolarHBondContact O-CB 3.41Å; D355-H359 PolarHBondContact O-N 3.02Å |
| 356 | M | 64 | Low | 61.5 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 61% | 0.611 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.7 | -41.8 | 173.1 | -67.8 | -152.3 | -55.1 | 0 | 0 | 112 | R352 R358 H359 D360 | R352-M356 WeakPolarHBondContact O-CG 3.27Å; R352-M356 PolarHBondContact O-N 2.85Å; M356-R358 VanDerWaalsContact C-N 3.27Å; M356-R358 PolarHBondContact O-N 2.98Å; M356-H359 PolarHBondContact O-N 3.33Å; M356-H359 VanDerWaalsContact O-N 3.13Å; M356-D360 PolarHBondContact O-N 3.09Å |
| 357 | I | 64.8 | Low | 62.7 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 45% | 0.451 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.7 | -31.7 | 176.8 | -68.5 | 168.1 | 0 | 0 | 0 | 111.9 | E353 R361 | E353-I357 WeakPolarHBondContact O-CD1 3.33Å; E353-I357 VanDerWaalsContact O-CG1 3.28Å; E353-I357 WeakPolarHBondContact O-CG1 3.43Å; E353-I357 PolarHBondContact O-N 2.84Å; E353-I357 VanDerWaalsContact O-N 3.14Å; I357-R361 VanDerWaalsContact CG2-NH2 3.28Å; I357-R361 WeakPolarHBondContact O-CB 3.36Å; I357-R361 PolarHBondContact O-N 3.17Å |
| 358 | R | 70.6 | Confident | 63.4 | Low | 143 Ų | 143 | 120.6 Ų | 120.6 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74 | -37.6 | 173.5 | -73.8 | 178.2 | -157.4 | 143.5 | -4 | 111.9 | R354 D355 M356 R362 | R354-R358 WeakPolarHBondContact O-CG 3.49Å; R354-R358 PolarHBondContact O-N 2.69Å; D355-R358 PolarHBondContact O-N 2.99Å; D355-R358 IonicContact OD1-CZ 3.66Å; D355-R358 IonicContact OD1-NH1 2.86Å; D355-R358 PolarHBondContact OD1-NH1 3.21Å; M356-R358 VanDerWaalsContact C-N 3.27Å; M356-R358 PolarHBondContact O-N 2.98Å; R358-R362 VanDerWaalsContact O-CB 3.31Å; R358-R362 WeakPolarHBondContact O-CB 3.45Å; R358-R362 PolarHBondContact O-N 3.03Å |
| 359 | H | 67.3 | Low | 63.9 | Low | 121 Ų | 121 | 124.3 Ų | 124.3 | 56% | 0.56 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -46 | 178.5 | -169.3 | 51.7 | 0 | 0 | 0 | 111.6 | D355 M356 R362 K363 | D355-H359 WeakPolarHBondContact O-CB 3.41Å; D355-H359 PolarHBondContact O-N 3.02Å; M356-H359 PolarHBondContact O-N 3.33Å; M356-H359 VanDerWaalsContact O-N 3.13Å; H359-R362 WeakPolarHBondContact O-CB 3.5Å; H359-R362 PolarHBondContact O-N 3.3Å; H359-R362 VanDerWaalsContact O-N 3.12Å; H359-K363 WeakPolarHBondContact O-CB 3.49Å; H359-K363 PolarHBondContact O-N 3.43Å |
| 360 | D | 59.8 | Low | 64.4 | Low | 92 Ų | 92 | 125.9 Ų | 125.9 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -46.4 | 177.3 | -79.8 | -15 | 0 | 0 | 0 | 111.8 | M356 R362 K363 D364 | M356-D360 PolarHBondContact O-N 3.09Å; D360-R362 PolarHBondContact O-N 2.91Å; D360-R362 VanDerWaalsContact O-N 3.16Å; D360-K363 PolarHBondContact O-N 3.28Å; D360-D364 PolarHBondContact O-N 2.85Å |
| 361 | R | 69.3 | Low | 64.5 | Low | 156 Ų | 156 | 124.1 Ų | 124.1 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -23.1 | 174.7 | -88.3 | -168.2 | -92.7 | -178.1 | -13 | 113.6 | I357 R365 | I357-R361 VanDerWaalsContact CG2-NH2 3.28Å; I357-R361 WeakPolarHBondContact O-CB 3.36Å; I357-R361 PolarHBondContact O-N 3.17Å; R361-R365 WeakPolarHBondContact O-CB 3.26Å; R361-R365 PolarHBondContact O-N 3.21Å; R361-R365 PolarHBondContact O-NE 3.03Å; R361-R365 PolarHBondContact O-NH2 2.85Å |
| 362 | R | 72.2 | Confident | 64.6 | Low | 175 Ų | 175 | 125.1 Ų | 125.1 | 66% | 0.66 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -78.7 | -38.5 | 173.9 | -167.9 | 178.7 | -171.3 | 176.4 | 2.3 | 110.6 | R358 H359 D360 Q366 | R358-R362 VanDerWaalsContact O-CB 3.31Å; R358-R362 WeakPolarHBondContact O-CB 3.45Å; R358-R362 PolarHBondContact O-N 3.03Å; H359-R362 WeakPolarHBondContact O-CB 3.5Å; H359-R362 PolarHBondContact O-N 3.3Å; H359-R362 VanDerWaalsContact O-N 3.12Å; D360-R362 PolarHBondContact O-N 2.91Å; D360-R362 VanDerWaalsContact O-N 3.16Å; R362-Q366 WeakPolarHBondContact O-CB 3.19Å; R362-Q366 PolarHBondContact O-N 3.42Å |
| 363 | K | 72.9 | Confident | 64.6 | Low | 127 Ų | 127 | 127.6 Ų | 127.6 | 55% | 0.552 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.8 | -42.7 | 178.4 | -156.4 | 177.9 | -177.1 | -178.3 | 0 | 111.9 | H359 D360 Q366 H367 | H359-K363 WeakPolarHBondContact O-CB 3.49Å; H359-K363 PolarHBondContact O-N 3.43Å; D360-K363 PolarHBondContact O-N 3.28Å; K363-Q366 CarbonylContact O-C 3.59Å; K363-Q366 WeakPolarHBondContact O-CB 3.29Å; K363-Q366 PolarHBondContact O-N 3.09Å; K363-Q366 VanDerWaalsContact O-N 3.13Å; K363-H367 PolarHBondContact O-N 3.14Å |
| 364 | D | 59.8 | Low | 64.8 | Low | 101 Ų | 101 | 126.1 Ų | 126.1 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -44.5 | 174.6 | -75.4 | -12.5 | 0 | 0 | 0 | 111.7 | D360 Q366 H367 D368 | D360-D364 PolarHBondContact O-N 2.85Å; D364-Q366 PolarHBondContact O-N 3.39Å; D364-H367 PolarHBondContact O-N 3.02Å; D364-H367 VanDerWaalsContact O-N 3.16Å; D364-D368 WeakPolarHBondContact O-CB 3.38Å; D364-D368 PolarHBondContact O-N 3.33Å |
| 365 | R | 71.1 | Confident | 64.5 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -30 | 173.1 | -84.3 | -180 | -80 | 141.7 | -7.6 | 112.5 | R361 R369 | R361-R365 WeakPolarHBondContact O-CB 3.26Å; R361-R365 PolarHBondContact O-N 3.21Å; R361-R365 PolarHBondContact O-NE 3.03Å; R361-R365 PolarHBondContact O-NH2 2.85Å; R365-R369 WeakPolarHBondContact O-CB 3.47Å; R365-R369 PolarHBondContact O-N 3.03Å |
| 366 | Q | 64.6 | Low | 64.6 | Low | 123 Ų | 123 | 121.8 Ų | 121.8 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.7 | -38.4 | 173.7 | -120.8 | 172.1 | -15.8 | 0 | 0 | 111.9 | R362 K363 D364 R369 N370 | R362-Q366 WeakPolarHBondContact O-CB 3.19Å; R362-Q366 PolarHBondContact O-N 3.42Å; K363-Q366 CarbonylContact O-C 3.59Å; K363-Q366 WeakPolarHBondContact O-CB 3.29Å; K363-Q366 PolarHBondContact O-N 3.09Å; K363-Q366 VanDerWaalsContact O-N 3.13Å; D364-Q366 PolarHBondContact O-N 3.39Å; Q366-R369 PolarHBondContact O-N 3.15Å; Q366-N370 WeakPolarHBondContact O-CB 3.49Å; Q366-N370 PolarHBondContact O-N 2.99Å |
| 367 | H | 64.5 | Low | 64.4 | Low | 119 Ų | 119 | 123.4 Ų | 123.4 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65 | -47.2 | 175.3 | -169.1 | 60.9 | 0 | 0 | 0 | 111 | K363 D364 R369 N370 I371 | K363-H367 PolarHBondContact O-N 3.14Å; D364-H367 PolarHBondContact O-N 3.02Å; D364-H367 VanDerWaalsContact O-N 3.16Å; H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 3.26Å; H367-N370 PolarHBondContact O-N 3.44Å; H367-I371 WeakPolarHBondContact NE2-CD1 3.48Å; H367-I371 WeakPolarHBondContact O-CB 3.35Å; H367-I371 WeakPolarHBondContact O-CG1 3.28Å; H367-I371 PolarHBondContact O-N 3.36Å |
| 368 | D | 61.7 | Low | 64.1 | Low | 104 Ų | 104 | 125.9 Ų | 125.9 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.2 | -35.7 | 174.8 | -79.6 | -14.8 | 0 | 0 | 0 | 112.5 | D364 S372 | D364-D368 WeakPolarHBondContact O-CB 3.38Å; D364-D368 PolarHBondContact O-N 3.33Å; D368-S372 VanDerWaalsContact O-CB 3.23Å; D368-S372 WeakPolarHBondContact O-CB 3.4Å; D368-S372 PolarHBondContact O-N 3.31Å; D368-S372 PolarHBondContact O-OG 2.87Å |
| 369 | R | 66.6 | Low | 63.5 | Low | 191 Ų | 191 | 128.9 Ų | 128.9 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.2 | -30.7 | 175.8 | -152.8 | 178.1 | -146.4 | -172.7 | 5.4 | 112.6 | R365 Q366 H367 S372 R373 | R365-R369 WeakPolarHBondContact O-CB 3.47Å; R365-R369 PolarHBondContact O-N 3.03Å; Q366-R369 PolarHBondContact O-N 3.15Å; H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 3.26Å; R369-S372 WeakPolarHBondContact CA-OG 3.23Å; R369-S372 PolarHBondContact O-OG 2.82Å; R369-R373 VanDerWaalsContact O-CB 3.23Å; R369-R373 WeakPolarHBondContact O-CB 3.48Å; R369-R373 PolarHBondContact O-N 3.49Å |
| 370 | N | 63.7 | Low | 63.2 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.4 | -40.1 | 172.2 | -87 | 7.7 | 0 | 0 | 0 | 111.9 | Q366 H367 R373 A374 | Q366-N370 WeakPolarHBondContact O-CB 3.49Å; Q366-N370 PolarHBondContact O-N 2.99Å; H367-N370 PolarHBondContact O-N 3.44Å; N370-R373 PolarHBondContact O-N 3.07Å; N370-A374 VanDerWaalsContact O-CB 3.26Å; N370-A374 WeakPolarHBondContact O-CB 3.43Å; N370-A374 PolarHBondContact O-N 3.41Å |
| 371 | I | 59.3 | Low | 63.2 | Low | 98 Ų | 98 | 129.2 Ų | 129.2 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.9 | -42.4 | 175 | -72 | 173.3 | 0 | 0 | 0 | 110.8 | H367 R373 | H367-I371 WeakPolarHBondContact NE2-CD1 3.48Å; H367-I371 WeakPolarHBondContact O-CB 3.35Å; H367-I371 WeakPolarHBondContact O-CG1 3.28Å; H367-I371 PolarHBondContact O-N 3.36Å; I371-R373 VanDerWaalsContact C-N 3.31Å; I371-R373 PolarHBondContact O-N 2.99Å |
| 372 | S | 61.2 | Low | 62.7 | Low | 74 Ų | 74 | 127.6 Ų | 127.6 | 52% | 0.517 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.8 | -23.4 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 114 | D368 R369 | D368-S372 VanDerWaalsContact O-CB 3.23Å; D368-S372 WeakPolarHBondContact O-CB 3.4Å; D368-S372 PolarHBondContact O-N 3.31Å; D368-S372 PolarHBondContact O-OG 2.87Å; R369-S372 WeakPolarHBondContact CA-OG 3.23Å; R369-S372 PolarHBondContact O-OG 2.82Å |
| 373 | R | 62.8 | Low | 62.2 | Low | 225 Ų | 225 | 125.4 Ų | 125.4 | 85% | 0.849 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -92.1 | -20.5 | 177.8 | -161.3 | 172.5 | 177.5 | 161 | -0 | 113.8 | R369 N370 I371 | R369-R373 VanDerWaalsContact O-CB 3.23Å; R369-R373 WeakPolarHBondContact O-CB 3.48Å; R369-R373 PolarHBondContact O-N 3.49Å; N370-R373 PolarHBondContact O-N 3.07Å; I371-R373 VanDerWaalsContact C-N 3.31Å; I371-R373 PolarHBondContact O-N 2.99Å |
| 374 | A | 61.8 | Low | 61.7 | Low | 85 Ų | 85 | 126.8 Ų | 126.8 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.7 | -25.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N370 | N370-A374 VanDerWaalsContact O-CB 3.26Å; N370-A374 WeakPolarHBondContact O-CB 3.43Å; N370-A374 PolarHBondContact O-N 3.41Å |
| 375 | A | 58.5 | Low | 61.6 | Low | 44 Ų | 44 | 124.3 Ų | 124.3 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | trans | -177.2 | 105.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D377 | A375-D377 VanDerWaalsContact C-N 3.28Å; A375-D377 PolarHBondContact O-N 3.16Å | ||
| 376 | P | 60.9 | Low | 61.2 | Low | 96 Ų | 96 | 124.3 Ų | 124.3 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -66.4 | -22.6 | -177.8 | 22.8 | -30.7 | 0 | 0 | 0 | 114.6 | K378 | P376-K378 PolarHBondContact O-N 2.87Š|
| 377 | D | 59.6 | Low | 60.9 | Low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -82.5 | -3.9 | -173.3 | -62.6 | -32.6 | 0 | 0 | 0 | 115.3 | A375 | A375-D377 VanDerWaalsContact C-N 3.28Å; A375-D377 PolarHBondContact O-N 3.16Å |
| 378 | K | 58.3 | Low | 61.1 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 61% | 0.609 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -103.3 | -0.8 | -176.5 | -64.7 | -173.9 | -178.6 | -179.9 | 0 | 114.5 | P376 S380 K381 L382 | P376-K378 PolarHBondContact O-N 2.87Å; K378-S380 PolarHBondContact O-N 3.45Å; K378-K381 PolarHBondContact O-N 3.32Å; K378-L382 HydrophobicContact CB-CD1 4.28Å; K378-L382 PolarHBondContact O-N 3.05Å |
| 379 | R | 58.6 | Low | 61.3 | Low | 206 Ų | 206 | 124.4 Ų | 124.4 | 78% | 0.777 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.2 | -42.9 | -174.8 | -166.3 | 176.7 | 178.9 | 179.9 | 0.1 | 113.5 | K381 | R379-K381 VanDerWaalsContact C-N 3.35Å; R379-K381 PolarHBondContact O-N 2.86Å |
| 380 | S | 60.3 | Low | 61 | Low | 75 Ų | 75 | 120.5 Ų | 120.5 | 52% | 0.524 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -75.5 | -20.5 | -178.5 | 177.3 | 0 | 0 | 0 | 0 | 114 | K378 | K378-S380 PolarHBondContact O-N 3.45Å |
| 381 | K | 60.1 | Low | 61 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -91.4 | -36.7 | -174.7 | -156.4 | 173.4 | -175.8 | 176.7 | 0 | 111.7 | K378 R379 D385 | K378-K381 PolarHBondContact O-N 3.32Å; R379-K381 VanDerWaalsContact C-N 3.35Å; R379-K381 PolarHBondContact O-N 2.86Å; K381-D385 WeakPolarHBondContact O-CB 3.49Å; K381-D385 PolarHBondContact O-N 3.43Å; K381-D385 VanDerWaalsContact O-N 3.14Å |
| 382 | L | 58.2 | Low | 61.4 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 64% | 0.639 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70 | -37.3 | 177.3 | -87.3 | 156.5 | 0 | 0 | 0 | 113 | K378 Q386 | K378-L382 HydrophobicContact CB-CD1 4.28Å; K378-L382 PolarHBondContact O-N 3.05Å; L382-Q386 WeakPolarHBondContact O-CB 3.26Å; L382-Q386 PolarHBondContact O-N 3.49Å |
| 383 | Q | 61.6 | Low | 61.6 | Low | 129 Ų | 129 | 119 Ų | 119 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.1 | -31.9 | 178.7 | -160.6 | 166.3 | 8.6 | 0 | 0 | 112.4 | ||
| 384 | R | 62.5 | Low | 61.5 | Low | 157 Ų | 157 | 114.5 Ų | 114.5 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.5 | -30.2 | 178.4 | -165 | -176.7 | -66 | 146.9 | 1.2 | 113.7 | Q386 | R384-Q386 VanDerWaalsContact C-N 3.32Å |
| 385 | D | 58.4 | Low | 61.6 | Low | 49 Ų | 49 | 114.8 Ų | 114.8 | 26% | 0.262 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -80.5 | -13.6 | 175 | -80.4 | -18.3 | 0 | 0 | 0 | 111.9 | K381 R388 K398 | K381-D385 WeakPolarHBondContact O-CB 3.49Å; K381-D385 PolarHBondContact O-N 3.43Å; K381-D385 VanDerWaalsContact O-N 3.14Å; D385-R388 IonicContact OD1-CZ 2.73Å; D385-R388 IonicContact OD1-NE 3.38Å; D385-R388 IonicContact OD1-NH1 3.7Å; D385-R388 PolarHBondContact OD1-NH1 3.5Å; D385-K398 IonicContact OD1-NZ 2.95Å; D385-K398 PolarHBondContact OD1-NZ 3.37Å; D385-K398 IonicContact OD2-NZ 3.96Å; D385-K398 PolarHBondContact OD2-NZ 2.96Å |
| 386 | Q | 61.9 | Low | 61.6 | Low | 158 Ų | 158 | 117.9 Ų | 117.9 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.2 | -26 | 176 | -161.1 | 171.8 | 19.8 | 0 | 0 | 113.1 | L382 R384 | L382-Q386 WeakPolarHBondContact O-CB 3.26Å; L382-Q386 PolarHBondContact O-N 3.49Å; R384-Q386 VanDerWaalsContact C-N 3.32Å |
| 387 | D | 58.4 | Low | 61.6 | Low | 142 Ų | 142 | 116.3 Ų | 116.3 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 8.9 | 179.4 | -66.2 | -25.6 | 0 | 0 | 0 | 113.7 | ||
| 388 | R | 69.3 | Low | 61.9 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 33% | 0.328 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -92.8 | 130.8 | -179.8 | -77 | -176.8 | 176.6 | 160.4 | 0.5 | 112.4 | D385 L393 | D385-R388 IonicContact OD1-CZ 2.73Å; D385-R388 IonicContact OD1-NE 3.38Å; D385-R388 IonicContact OD1-NH1 3.7Å; D385-R388 PolarHBondContact OD1-NH1 3.5Å; R388-L393 HydrophobicContact CB-CD1 4.4Å; R388-L393 HydrophobicContact CB-CD2 4.36Å; R388-L393 HydrophobicContact CB-CG 4.19Å |
| 389 | D | 65.1 | Low | 61.9 | Low | 119 Ų | 119 | 111.3 Ų | 111.3 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | trans | -64.2 | 145.5 | 177.2 | -87.5 | -26.8 | 0 | 0 | 0 | 112.5 | S391 E392 L393 | D389-S391 PolarHBondContact O-N 3.11Å; D389-S391 VanDerWaalsContact O-N 3.15Å; D389-E392 PolarHBondContact O-N 3.25Å; D389-L393 PolarHBondContact O-N 3.47Å | ||
| 390 | V | 60 | Low | 62 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 67% | 0.667 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.4 | -28.3 | -170.7 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | I394 | V390-I394 HydrophobicContact CG1-CD1 4.37Å; V390-I394 WeakPolarHBondContact O-CD1 3.4Å; V390-I394 VanDerWaalsContact O-CG1 3.3Å; V390-I394 WeakPolarHBondContact O-CG1 3.43Å; V390-I394 PolarHBondContact O-N 2.87Å |
| 391 | S | 63.8 | Low | 62.1 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 59% | 0.594 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.7 | -35.9 | 175.2 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | D389 I394 A395 | D389-S391 PolarHBondContact O-N 3.11Å; D389-S391 VanDerWaalsContact O-N 3.15Å; S391-I394 PolarHBondContact O-N 3.23Å; S391-A395 PolarHBondContact O-N 3.4Å; S391-A395 VanDerWaalsContact O-N 3.09Å |
| 392 | E | 68.1 | Low | 61.9 | Low | 122 Ų | 122 | 112.1 Ų | 112.1 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.7 | -31.1 | 177.8 | -64.9 | -167.4 | 161 | 0 | 0 | 112 | D389 I394 L396 | D389-E392 PolarHBondContact O-N 3.25Å; E392-I394 VanDerWaalsContact C-N 3.33Å; E392-L396 VanDerWaalsContact O-CB 3.31Å; E392-L396 WeakPolarHBondContact O-CB 3.37Å; E392-L396 PolarHBondContact O-N 3.45Å |
| 393 | L | 65.5 | Low | 61.9 | Low | 47 Ų | 47 | 113.1 Ų | 113.1 | 25% | 0.246 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -66.8 | -33.8 | 173.2 | -72.4 | 165.6 | 0 | 0 | 0 | 112.4 | R388 D389 G397 K398 | R388-L393 HydrophobicContact CB-CD1 4.4Å; R388-L393 HydrophobicContact CB-CD2 4.36Å; R388-L393 HydrophobicContact CB-CG 4.19Å; D389-L393 PolarHBondContact O-N 3.47Å; L393-G397 PolarHBondContact O-N 3.36Å; L393-K398 HydrophobicContact CD2-CD 4.45Å; L393-K398 PolarHBondContact O-N 3.06Å |
| 394 | I | 61.3 | Low | 61.6 | Low | 129 Ų | 129 | 112 Ų | 112 | 66% | 0.662 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.4 | -42.6 | 175.3 | -66.2 | 166.3 | 0 | 0 | 0 | 110.9 | V390 S391 E392 L396 G397 | V390-I394 HydrophobicContact CG1-CD1 4.37Å; V390-I394 WeakPolarHBondContact O-CD1 3.4Å; V390-I394 VanDerWaalsContact O-CG1 3.3Å; V390-I394 WeakPolarHBondContact O-CG1 3.43Å; V390-I394 PolarHBondContact O-N 2.87Å; S391-I394 PolarHBondContact O-N 3.23Å; E392-I394 VanDerWaalsContact C-N 3.33Å; I394-L396 VanDerWaalsContact C-N 3.31Å; I394-L396 PolarHBondContact O-N 3.29Å; I394-G397 PolarHBondContact O-N 3.09Å; I394-G397 VanDerWaalsContact O-N 3.14Å |
| 395 | A | 62.8 | Low | 61.3 | Low | 92 Ų | 92 | 110.6 Ų | 110.6 | 76% | 0.76 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68 | -28 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S391 G397 | S391-A395 PolarHBondContact O-N 3.4Å; S391-A395 VanDerWaalsContact O-N 3.09Å; A395-G397 VanDerWaalsContact C-N 3.31Å |
| 396 | L | 60 | Low | 61 | Low | 109 Ų | 109 | 116.7 Ų | 116.7 | 57% | 0.571 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 2.4 | 174.4 | -154.6 | 76.1 | 0 | 0 | 0 | 113.2 | E392 I394 K398 | E392-L396 VanDerWaalsContact O-CB 3.31Å; E392-L396 WeakPolarHBondContact O-CB 3.37Å; E392-L396 PolarHBondContact O-N 3.45Å; I394-L396 VanDerWaalsContact C-N 3.31Å; I394-L396 PolarHBondContact O-N 3.29Å; L396-K398 HydrophobicContact CD2-CD 4.06Å; L396-K398 HydrophobicContact CD2-CG 4.17Å; L396-K398 PolarHBondContact O-N 2.79Å; L396-K398 VanDerWaalsContact O-N 3.11Å |
| 397 | G | 59.5 | Low | 60.8 | Low | 62 Ų | 62 | 112.5 Ų | 112.5 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.9 | 21.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L393 I394 A395 P399 | L393-G397 PolarHBondContact O-N 3.36Å; I394-G397 PolarHBondContact O-N 3.09Å; I394-G397 VanDerWaalsContact O-N 3.14Å; A395-G397 VanDerWaalsContact C-N 3.31Å; G397-P399 WeakPolarHBondContact O-CD 3.42Å |
| 398 | K | 66.3 | Low | 61.2 | Low | 75 Ų | 75 | 115.5 Ų | 115.5 | 33% | 0.326 | 66% | 0.658 | S | S | . | * | trans | -78.1 | 120.9 | -179.4 | -77.5 | -168.2 | 174 | -176.1 | 0 | 109.7 | D385 L393 L396 N400 | D385-K398 IonicContact OD1-NZ 2.95Å; D385-K398 PolarHBondContact OD1-NZ 3.37Å; D385-K398 IonicContact OD2-NZ 3.96Å; D385-K398 PolarHBondContact OD2-NZ 2.96Å; L393-K398 HydrophobicContact CD2-CD 4.45Å; L393-K398 PolarHBondContact O-N 3.06Å; L396-K398 HydrophobicContact CD2-CD 4.06Å; L396-K398 HydrophobicContact CD2-CG 4.17Å; L396-K398 PolarHBondContact O-N 2.79Å; L396-K398 VanDerWaalsContact O-N 3.11Å; K398-N400 PolarHBondContact O-N 3.47Å | ||
| 399 | P | 59.1 | Low | 61.1 | Low | 119 Ų | 119 | 120.3 Ų | 120.3 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | trans | -68.1 | 129.8 | -179.9 | 25.7 | -31.5 | 0 | 0 | 0 | 110.5 | G397 P401 | G397-P399 WeakPolarHBondContact O-CD 3.42Å; P399-P401 VanDerWaalsContact O-CD 3.29Å; P399-P401 WeakPolarHBondContact O-CD 3.47Å | ||
| 400 | N | 60.7 | Low | 61.3 | Low | 120 Ų | 120 | 118 Ų | 118 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | trans | -62.3 | 114 | 178.7 | -176 | 9.7 | 0 | 0 | 0 | 110.4 | K398 R402 | K398-N400 PolarHBondContact O-N 3.47Å; N400-R402 PolarHBondContact O-N 2.92Å | ||
| 401 | P | 60.7 | Low | 61.9 | Low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -85.3 | 59.8 | -179.4 | 36.7 | -33.8 | 0 | 0 | 0 | 109.8 | P399 | P399-P401 VanDerWaalsContact O-CD 3.29Å; P399-P401 WeakPolarHBondContact O-CD 3.47Å | ||
| 402 | R | 56.9 | Low | 62.4 | Low | 203 Ų | 203 | 126.3 Ų | 126.3 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | trans | -88.2 | 105.6 | 161.7 | -77.4 | -174.1 | 173.3 | -171.6 | -2.8 | 107.2 | N400 S404 | N400-R402 PolarHBondContact O-N 2.92Å; R402-S404 PolarHBondContact O-N 3.49Å | ||
| 403 | T | 57.5 | Low | 62.5 | Low | 142 Ų | 142 | 126.1 Ų | 126.1 | 87% | 0.871 | 68% | 0.682 | S | S | * | * | trans | -70.5 | 91.9 | 170.9 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 404 | S | 55.4 | Low | 62.6 | Low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | -76 | 125.9 | 172.5 | -42.3 | 0 | 0 | 0 | 0 | 109.5 | R402 E406 | R402-S404 PolarHBondContact O-N 3.49Å; S404-E406 VanDerWaalsContact C-N 3.31Å; S404-E406 PolarHBondContact O-N 2.84Å | ||
| 405 | S | 57.8 | Low | 62.8 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 90% | 0.902 | 71% | 0.712 | S | S | * | * | trans | -87.8 | 43.4 | -172.9 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 406 | E | 51.7 | Low | 63.1 | Low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -144.7 | 146.9 | -178.1 | -140.5 | 170.8 | -175.8 | 0 | 0 | 111.5 | S404 | S404-E406 VanDerWaalsContact C-N 3.31Å; S404-E406 PolarHBondContact O-N 2.84Å |
| 407 | A | 58 | Low | 63.3 | Low | 70 Ų | 70 | 134.8 Ų | 134.8 | 58% | 0.579 | 71% | 0.714 | S | S | * | * | trans | -49.5 | 136.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y409 | A407-Y409 VanDerWaalsContact O-CD2 3.26Å; A407-Y409 WeakPolarHBondContact O-CD2 3.42Å; A407-Y409 PolarHBondContact O-N 3.04Å; A407-Y409 VanDerWaalsContact O-N 3.15Å | ||
| 408 | Q | 66.4 | Low | 63.5 | Low | 204 Ų | 204 | 139.7 Ų | 139.7 | 95% | 0.953 | 72% | 0.718 | S | S | * | * | trans | -66.6 | 109.4 | 178.7 | -66.9 | 178.4 | -25.3 | 0 | 0 | 110.6 | ||||
| 409 | Y | 67.1 | Low | 63.3 | Low | 189 Ų | 189 | 139.3 Ų | 139.3 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -89.9 | 137.1 | 167 | -66 | -81 | 0 | 0 | 0 | 110.1 | A407 Q411 | A407-Y409 VanDerWaalsContact O-CD2 3.26Å; A407-Y409 WeakPolarHBondContact O-CD2 3.42Å; A407-Y409 PolarHBondContact O-N 3.04Å; A407-Y409 VanDerWaalsContact O-N 3.15Å; Y409-Q411 PolarHBondContact O-N 2.71Å | ||
| 410 | D | 69.4 | Low | 63.4 | Low | 71 Ų | 71 | 142.3 Ų | 142.3 | 38% | 0.38 | 74% | 0.741 | S | S | . | * | trans | -69.4 | 117.7 | 177.9 | -173.4 | -19.5 | 0 | 0 | 0 | 110.1 | R412 L413 | D410-R412 PolarHBondContact O-N 2.96Å; D410-R412 WeakPolarHBondContact OD1-CB 3.49Å; D410-R412 IonicContact OD1-CZ 2.86Å; D410-R412 PolarHBondContact OD1-N 3.01Å; D410-R412 IonicContact OD1-NE 2.83Å; D410-R412 PolarHBondContact OD1-NE 3.2Å; D410-R412 VanDerWaalsContact OD1-NE 3.09Å; D410-R412 IonicContact OD1-NH2 2.6Å; D410-R412 IonicContact OD2-CZ 2.67Å; D410-R412 IonicContact OD2-NE 3.08Å; D410-R412 PolarHBondContact OD2-NE 2.74Å; D410-R412 IonicContact OD2-NH2 2.94Å; D410-R412 PolarHBondContact OD2-NH2 3.48Å; D410-L413 HydrophobicContact CB-CD1 3.95Å; D410-L413 PolarHBondContact O-N 3.02Å | ||
| 411 | Q | 73 | Confident | 63.3 | Low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -20.3 | -176.3 | -156.9 | 165.3 | 8.8 | 0 | 0 | 113.3 | Y409 L413 F414 | Y409-Q411 PolarHBondContact O-N 2.71Å; Q411-L413 PolarHBondContact O-N 3.33Å; Q411-F414 PolarHBondContact O-N 3.14Å |
| 412 | R | 73.4 | Confident | 63.4 | Low | 195 Ų | 195 | 143.4 Ų | 143.4 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -16.8 | 175.2 | -67.4 | 174.3 | -76.7 | -172.2 | -1.5 | 113.7 | D410 Q416 | D410-R412 PolarHBondContact O-N 2.96Å; D410-R412 WeakPolarHBondContact OD1-CB 3.49Å; D410-R412 IonicContact OD1-CZ 2.86Å; D410-R412 PolarHBondContact OD1-N 3.01Å; D410-R412 IonicContact OD1-NE 2.83Å; D410-R412 PolarHBondContact OD1-NE 3.2Å; D410-R412 VanDerWaalsContact OD1-NE 3.09Å; D410-R412 IonicContact OD1-NH2 2.6Å; D410-R412 IonicContact OD2-CZ 2.67Å; D410-R412 IonicContact OD2-NE 3.08Å; D410-R412 PolarHBondContact OD2-NE 2.74Å; D410-R412 IonicContact OD2-NH2 2.94Å; D410-R412 PolarHBondContact OD2-NH2 3.48Å; R412-Q416 PolarHBondContact O-NE2 3.15Å |
| 413 | L | 71 | Confident | 63.5 | Low | 119 Ų | 119 | 136.5 Ų | 136.5 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -19.5 | 177.2 | -81.8 | 125.5 | 0 | 0 | 0 | 113.2 | D410 Q411 N415 | D410-L413 HydrophobicContact CB-CD1 3.95Å; D410-L413 PolarHBondContact O-N 3.02Å; Q411-L413 PolarHBondContact O-N 3.33Å; L413-N415 VanDerWaalsContact C-N 3.25Å; L413-N415 PolarHBondContact O-N 3.49Å |
| 414 | F | 65.9 | Low | 63.5 | Low | 163 Ų | 163 | 138.6 Ų | 138.6 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 2.9 | -169 | -142.8 | -94.9 | 0 | 0 | 0 | 115.3 | Q411 | Q411-F414 PolarHBondContact O-N 3.14Š|
| 415 | N | 65.9 | Low | 63.8 | Low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 25.6 | 179 | -83.5 | -34.2 | 0 | 0 | 0 | 113 | L413 S417 | L413-N415 VanDerWaalsContact C-N 3.25Å; L413-N415 PolarHBondContact O-N 3.49Å; N415-S417 PolarHBondContact O-N 3.19Å |
| 416 | Q | 69.4 | Low | 64 | Low | 127 Ų | 127 | 133.5 Ų | 133.5 | 59% | 0.593 | 72% | 0.717 | S | S | * | * | trans | -82.7 | 100 | 169.8 | -65.1 | -173.5 | 15.4 | 0 | 0 | 108.5 | R412 K418 | R412-Q416 PolarHBondContact O-NE2 3.15Å; Q416-K418 PolarHBondContact O-N 3.45Å | ||
| 417 | S | 64.4 | Low | 64.5 | Low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | trans | -68.1 | 21.2 | -176.8 | 63 | 0 | 0 | 0 | 0 | 115.2 | N415 G419 | N415-S417 PolarHBondContact O-N 3.19Å; S417-G419 VanDerWaalsContact C-N 3.33Å; S417-G419 PolarHBondContact O-N 3.46Å | ||
| 418 | K | 64 | Low | 64.5 | Low | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -0.4 | -170.4 | -89.6 | -173.1 | 171.7 | -175.4 | 0 | 115.5 | Q416 | Q416-K418 PolarHBondContact O-N 3.45Š|
| 419 | G | 62.3 | Low | 64.4 | Low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -12.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | S417 | S417-G419 VanDerWaalsContact C-N 3.33Å; S417-G419 PolarHBondContact O-N 3.46Å |
| 420 | M | 61 | Low | 64.3 | Low | 182 Ų | 182 | 128.2 Ų | 128.2 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -117.2 | -14.7 | -171.7 | -73.5 | -169.5 | 73.7 | 0 | 0 | 115.7 | ||
| 421 | D | 58.7 | Low | 64.1 | Low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -96.3 | -11.4 | -173.8 | -119.5 | 15 | 0 | 0 | 0 | 113.8 | G423 | D421-G423 PolarHBondContact O-N 3.16Š|
| 422 | S | 63.1 | Low | 63.8 | Low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | trans | -90.4 | 41 | 178.8 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 423 | G | 57.4 | Low | 63.9 | Low | 59 Ų | 59 | 127 Ų | 127 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -101.1 | 106.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D421 A425 | D421-G423 PolarHBondContact O-N 3.16Å; G423-A425 PolarHBondContact O-N 3.46Å |
| 424 | F | 58.9 | Low | 64 | Low | 185 Ų | 185 | 126.3 Ų | 126.3 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | trans | 20.1 | 87.4 | 155.4 | -167.8 | -104.2 | 0 | 0 | 0 | 115.6 | G426 | F424-G426 PolarHBondContact O-N 3.22Š| ||
| 425 | A | 61 | Low | 64.3 | Low | 61 Ų | 61 | 128 Ų | 128 | 50% | 0.504 | 71% | 0.711 | S | S | . | * | trans | -72.9 | 67.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G423 G427 E428 | G423-A425 PolarHBondContact O-N 3.46Å; A425-G427 PolarHBondContact O-N 3.23Å; A425-E428 PolarHBondContact O-N 3.38Å | ||
| 426 | G | 62.3 | Low | 64.6 | Low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55 | 16.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | F424 | F424-G426 PolarHBondContact O-N 3.22Š|
| 427 | G | 61.7 | Low | 64.9 | Low | 51 Ų | 51 | 128.6 Ų | 128.6 | 53% | 0.526 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 76.4 | 23 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A425 D429 | A425-G427 PolarHBondContact O-N 3.23Å; G427-D429 PolarHBondContact O-N 3.37Å |
| 428 | E | 58.8 | Low | 65.5 | Low | 136 Ų | 136 | 127.9 Ų | 127.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | -78.2 | 95.6 | 168.9 | -78.2 | -172.4 | 165.5 | 0 | 0 | 110.9 | A425 E430 T431 | A425-E428 PolarHBondContact O-N 3.38Å; E428-E430 PolarHBondContact O-N 3.48Å; E428-T431 PolarHBondContact O-N 3.39Å; E428-T431 VanDerWaalsContact O-N 3.14Å; E428-T431 PolarHBondContact O-OG1 3.32Å | ||
| 429 | D | 62.7 | Low | 66 | Low | 157 Ų | 157 | 129.4 Ų | 129.4 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -8 | 177.8 | -70 | -18.7 | 0 | 0 | 0 | 114.5 | G427 | G427-D429 PolarHBondContact O-N 3.37Š|
| 430 | E | 64.9 | Low | 66.6 | Low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -14.9 | 178.5 | -62.8 | -171 | 171.9 | 0 | 0 | 113.4 | E428 Y432 | E428-E430 PolarHBondContact O-N 3.48Å; E430-Y432 PolarHBondContact O-N 3.45Å |
| 431 | T | 67 | Low | 66.9 | Low | 64 Ų | 64 | 131.2 Ų | 131.2 | 39% | 0.393 | 70% | 0.702 | S | S | . | * | trans | -85.7 | 89.8 | 177.1 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | E428 N433 | E428-T431 PolarHBondContact O-N 3.39Å; E428-T431 VanDerWaalsContact O-N 3.14Å; E428-T431 PolarHBondContact O-OG1 3.32Å; T431-N433 PolarHBondContact O-N 3.27Å | ||
| 432 | Y | 66.6 | Low | 67.1 | Low | 212 Ų | 212 | 125.6 Ų | 125.6 | 83% | 0.831 | 68% | 0.683 | S | S | * | * | trans | -70 | 54.5 | -174.4 | -126.2 | -93.3 | 0 | 0 | 0 | 114.1 | E430 | E430-Y432 PolarHBondContact O-N 3.45Š| ||
| 433 | N | 73.8 | Confident | 67 | Low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -99 | 35.3 | -175.4 | -69.1 | -18.2 | 0 | 0 | 0 | 113 | T431 Y435 | T431-N433 PolarHBondContact O-N 3.27Å; N433-Y435 VanDerWaalsContact C-N 3.3Å; N433-Y435 PolarHBondContact O-N 2.89Å | ||
| 434 | V | 73.8 | Confident | 67 | Low | 106 Ų | 106 | 135.3 Ų | 135.3 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | trans | -73 | -19.5 | -174 | -177.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 435 | Y | 73.4 | Confident | 66.9 | Low | 197 Ų | 197 | 132 Ų | 132 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -129.1 | 132.2 | -177 | -59.9 | -69 | 0 | 0 | 0 | 112.1 | N433 Q437 | N433-Y435 VanDerWaalsContact C-N 3.3Å; N433-Y435 PolarHBondContact O-N 2.89Å; Y435-Q437 VanDerWaalsContact C-N 3.28Å; Y435-Q437 PolarHBondContact O-N 3.43Å | ||
| 436 | D | 71.4 | Confident | 66.8 | Low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -75 | -13.7 | -179.7 | -64.6 | -26.8 | 0 | 0 | 0 | 114.2 | ||
| 437 | Q | 74.7 | Confident | 66.8 | Low | 138 Ų | 138 | 132.8 Ų | 132.8 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -136.9 | 136.8 | -173.8 | -69.2 | -91.4 | -34.1 | 0 | 0 | 110.5 | Y435 | Y435-Q437 VanDerWaalsContact C-N 3.28Å; Y435-Q437 PolarHBondContact O-N 3.43Å |
| 438 | P | 77 | Confident | 66.8 | Low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | trans | -68.9 | 142.4 | 173.7 | 28.7 | -33.2 | 0 | 0 | 0 | 111.1 | R440 | P438-R440 PolarHBondContact O-N 3.32Š| ||
| 439 | F | 74.8 | Confident | 67.3 | Low | 197 Ų | 197 | 135.1 Ų | 135.1 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -57.2 | -20.1 | -177.5 | -179.4 | -112.8 | 0 | 0 | 0 | 114.7 | ||
| 440 | R | 75.6 | Confident | 66.9 | Low | 203 Ų | 203 | 137.2 Ų | 137.2 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | trans | -135.2 | 125.7 | 170.7 | -65.2 | -173.1 | 177.4 | -173.2 | -1.5 | 110.2 | P438 G442 | P438-R440 PolarHBondContact O-N 3.32Å; R440-G442 PolarHBondContact O-N 3Å | ||
| 441 | S | 67.4 | Low | 66.8 | Low | 83 Ų | 83 | 137.7 Ų | 137.7 | 58% | 0.58 | 68% | 0.675 | S | S | * | * | trans | -72.6 | 26.5 | 176.1 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | R443 D444 M445 | S441-R443 PolarHBondContact O-N 2.85Å; S441-R443 VanDerWaalsContact O-N 3.07Å; S441-D444 PolarHBondContact O-N 3.44Å; S441-M445 PolarHBondContact O-N 3.42Å | ||
| 442 | G | 62 | Low | 66.5 | Low | 46 Ų | 46 | 139.4 Ų | 139.4 | 47% | 0.474 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.7 | -16.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R440 A446 | R440-G442 PolarHBondContact O-N 3Å; G442-A446 VanDerWaalsContact O-CB 3.32Å; G442-A446 WeakPolarHBondContact O-CB 3.22Å; G442-A446 PolarHBondContact O-N 2.96Å |
| 443 | R | 61.3 | Low | 66.4 | Low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81 | -35.5 | -179.8 | -157.7 | 172.3 | -175.4 | 173.9 | -0.3 | 113.1 | S441 | S441-R443 PolarHBondContact O-N 2.85Å; S441-R443 VanDerWaalsContact O-N 3.07Å |
| 444 | D | 57.7 | Low | 65.7 | Low | 131 Ų | 131 | 135.5 Ų | 135.5 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.6 | -29.5 | 176.1 | -78.8 | -14.9 | 0 | 0 | 0 | 112.4 | S441 S447 | S441-D444 PolarHBondContact O-N 3.44Å; D444-S447 PolarHBondContact O-OG 3.24Å |
| 445 | M | 57 | Low | 65 | Low | 115 Ų | 115 | 135.1 Ų | 135.1 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72.8 | -30.6 | 172.4 | -72.8 | -90.4 | -83 | 0 | 0 | 112 | S441 S447 N448 I449 | S441-M445 PolarHBondContact O-N 3.42Å; M445-S447 VanDerWaalsContact C-N 3.27Å; M445-S447 PolarHBondContact O-N 2.85Å; M445-N448 PolarHBondContact O-N 3.4Å; M445-I449 HydrophobicContact CB-CD1 4.16Å; M445-I449 WeakPolarHBondContact O-CD1 3.48Å; M445-I449 WeakPolarHBondContact O-CG1 3.23Å; M445-I449 PolarHBondContact O-N 3.31Å; M445-I449 VanDerWaalsContact O-N 3.09Å |
| 446 | A | 58.8 | Low | 64.3 | Low | 64 Ų | 64 | 130.7 Ų | 130.7 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -60.4 | -31.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G442 N448 | G442-A446 VanDerWaalsContact O-CB 3.32Å; G442-A446 WeakPolarHBondContact O-CB 3.22Å; G442-A446 PolarHBondContact O-N 2.96Å; A446-N448 VanDerWaalsContact C-N 3.26Å; A446-N448 PolarHBondContact O-N 3.16Å |
| 447 | S | 61.2 | Low | 63.5 | Low | 80 Ų | 80 | 128 Ų | 128 | 56% | 0.559 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -12.7 | 174.9 | 38.7 | 0 | 0 | 0 | 0 | 114.8 | D444 M445 | D444-S447 PolarHBondContact O-OG 3.24Å; M445-S447 VanDerWaalsContact C-N 3.27Å; M445-S447 PolarHBondContact O-N 2.85Å |
| 448 | N | 62.1 | Low | 62.7 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -2.4 | -179.9 | -73 | -26.3 | 0 | 0 | 0 | 113.8 | M445 A446 | M445-N448 PolarHBondContact O-N 3.4Å; A446-N448 VanDerWaalsContact C-N 3.26Å; A446-N448 PolarHBondContact O-N 3.16Å |
| 449 | I | 68.9 | Low | 61.8 | Low | 125 Ų | 125 | 131.7 Ų | 131.7 | 64% | 0.641 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -76.6 | -21.3 | -179.6 | -75.5 | 162.2 | 0 | 0 | 0 | 112.4 | M445 | M445-I449 HydrophobicContact CB-CD1 4.16Å; M445-I449 WeakPolarHBondContact O-CD1 3.48Å; M445-I449 WeakPolarHBondContact O-CG1 3.23Å; M445-I449 PolarHBondContact O-N 3.31Å; M445-I449 VanDerWaalsContact O-N 3.09Å |
| 450 | Y | 55.2 | Low | 61.1 | Low | 202 Ų | 202 | 125.5 Ų | 125.5 | 79% | 0.792 | 65% | 0.652 | S | S | * | * | trans | -143.1 | 106.1 | 170.7 | -154.1 | -102 | 0 | 0 | 0 | 111.8 | P452 | Y450-P452 HydrophobicContact CE1-CG 4.29Š| ||
| 451 | R | 63.8 | Low | 60.3 | Low | 196 Ų | 196 | 125.2 Ų | 125.2 | 74% | 0.74 | 65% | 0.652 | S | S | * | * | trans | -132.6 | 108.3 | 175 | -143.3 | 176.4 | 162.2 | 148.6 | -4.4 | 107.9 | T453 | R451-T453 PolarHBondContact O-N 2.84Š| ||
| 452 | P | 59.6 | Low | 59.7 | Low | 100 Ų | 100 | 124.6 Ų | 124.6 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | trans | -64.7 | 123.5 | -179.5 | -18.6 | 29.8 | 0 | 0 | 0 | 111.1 | Y450 K454 | Y450-P452 HydrophobicContact CE1-CG 4.29Å; P452-K454 VanDerWaalsContact C-N 3.28Å; P452-K454 PolarHBondContact O-N 3.13Å | ||
| 453 | T | 64.6 | Low | 59.2 | Low | 89 Ų | 89 | 130.1 Ų | 130.1 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | trans | -84.3 | 21.9 | -172.4 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | R451 S455 V456 | R451-T453 PolarHBondContact O-N 2.84Å; T453-S455 PolarHBondContact O-N 2.95Å; T453-V456 PolarHBondContact O-N 2.87Å | ||
| 454 | K | 59 | Low | 58.9 | Low | 177 Ų | 177 | 125 Ų | 125 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -8 | -169.9 | -143.1 | 179.6 | -176.1 | -174.3 | 0 | 115 | P452 | P452-K454 VanDerWaalsContact C-N 3.28Å; P452-K454 PolarHBondContact O-N 3.13Å |
| 455 | S | 59.2 | Low | 58.9 | Low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -4.6 | 177.9 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | T453 | T453-S455 PolarHBondContact O-N 2.95Š|
| 456 | V | 59.3 | Low | 58.9 | Low | 105 Ų | 105 | 125.4 Ų | 125.4 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -29.7 | 179.3 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | T453 | T453-V456 PolarHBondContact O-N 2.87Š|
| 457 | D | 55 | Low | 58.9 | Low | 101 Ų | 101 | 125.9 Ų | 125.9 | 54% | 0.54 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | -10.5 | -179.7 | -68.8 | -36 | 0 | 0 | 0 | 114.3 | ||
| 458 | K | 57.9 | Low | 58.7 | Low | 165 Ų | 165 | 128.4 Ų | 128.4 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -23.2 | -175.9 | -130.4 | -178.9 | -176.7 | -173.6 | 0 | 113.6 | ||
| 459 | D | 56.4 | Low | 58.6 | Low | 149 Ų | 149 | 128.8 Ų | 128.8 | 80% | 0.797 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -9.2 | -179.3 | -62.4 | -26.5 | 0 | 0 | 0 | 112.6 | ||
| 460 | A | 61.2 | Low | 58.2 | Low | 66 Ų | 66 | 132.4 Ų | 132.4 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.6 | -18.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 461 | Y | 59.1 | Low | 58.2 | Low | 197 Ų | 197 | 127.9 Ų | 127.9 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -141.4 | 27.1 | -170.6 | -74.4 | -78.6 | 0 | 0 | 0 | 115.2 | ||
| 462 | A | 53.7 | Low | 57.8 | Low | 71 Ų | 71 | 126.2 Ų | 126.2 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | trans | -80 | -14.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 463 | D | 52.2 | Low | 57.6 | Low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -92.7 | -12.6 | -167.6 | -78.6 | -19.2 | 0 | 0 | 0 | 116 | ||
| 464 | D | 55.8 | Low | 56.7 | Low | 123 Ų | 123 | 137.1 Ų | 137.1 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -109.6 | -10.4 | -169.3 | -151.6 | 23.1 | 0 | 0 | 0 | 114.9 | ||
| 465 | F | 57.8 | Low | 56.3 | Low | 147 Ų | 147 | 133.2 Ų | 133.2 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -88.6 | -33.5 | -175.8 | -160.9 | -100 | 0 | 0 | 0 | 113.5 | S467 M469 | F465-S467 VanDerWaalsContact C-N 3.33Å; F465-S467 PolarHBondContact O-N 3.16Å; F465-M469 HydrophobicContact CE1-CE 4.44Å; F465-M469 PolarHBondContact O-N 3.06Å |
| 466 | D | 56.7 | Low | 56.3 | Low | 107 Ų | 107 | 133.3 Ų | 133.3 | 57% | 0.572 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76 | -19.8 | -179 | -109.6 | -0.7 | 0 | 0 | 0 | 113.2 | ||
| 467 | S | 57.8 | Low | 56 | Low | 74 Ų | 74 | 136.5 Ų | 136.5 | 52% | 0.517 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -80.1 | -33.6 | 176 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | F465 N471 | F465-S467 VanDerWaalsContact C-N 3.33Å; F465-S467 PolarHBondContact O-N 3.16Å; S467-N471 PolarHBondContact O-ND2 3.38Å |
| 468 | L | 58 | Low | 55.9 | Low | 133 Ų | 133 | 141.2 Ų | 141.2 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -74.6 | -30.1 | 177.7 | -111.6 | 78.7 | 0 | 0 | 0 | 113 | R470 | L468-R470 PolarHBondContact O-N 3.12Å |
| 469 | M | 58.7 | Low | 55.7 | Low | 120 Ų | 120 | 140.5 Ų | 140.5 | 59% | 0.591 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -17 | -178.6 | -117.4 | -170.4 | -172.5 | 0 | 0 | 114.5 | F465 | F465-M469 HydrophobicContact CE1-CE 4.44Å; F465-M469 PolarHBondContact O-N 3.06Å |
| 470 | R | 61.9 | Low | 55.4 | Low | 200 Ų | 200 | 142 Ų | 142 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -8.3 | -176.6 | -74 | -178.2 | 179.5 | 169.4 | 4.3 | 114.6 | L468 N472 | L468-R470 PolarHBondContact O-N 3.12Å; R470-N472 PolarHBondContact O-N 3.23Å |
| 471 | N | 55.6 | Low | 54.7 | Low | 107 Ų | 107 | 144.3 Ų | 144.3 | 57% | 0.572 | 73% | 0.728 | S | S | * | * | trans | -98.6 | 78 | -179.8 | -72.3 | -45.7 | 0 | 0 | 0 | 111.6 | S467 R473 | S467-N471 PolarHBondContact O-ND2 3.38Å; N471-R473 PolarHBondContact O-N 3.06Å | ||
| 472 | N | 54.9 | Low | 54.7 | Low | 161 Ų | 161 | 138.7 Ų | 138.7 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 91.4 | 170.3 | -88.2 | -7.3 | 0 | 0 | 0 | 111.2 | R470 | R470-N472 PolarHBondContact O-N 3.23Š| ||
| 473 | R | 55.4 | Low | 54.3 | Low | 212 Ų | 212 | 138.2 Ų | 138.2 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | -111.8 | 6.4 | 175.7 | -74.4 | -168.1 | -167.6 | 179.8 | 5.7 | 115.9 | N471 | N471-R473 PolarHBondContact O-N 3.06Š| ||
| 474 | F | 45 | Very low | 54.2 | Low | 207 Ų | 207 | 138 Ų | 138 | 91% | 0.908 | 72% | 0.722 | S | S | * | * | trans | -146.2 | 106.7 | 174.5 | -90.7 | -87.8 | 0 | 0 | 0 | 110.8 | ||||
| 475 | A | 51.7 | Low | 53.7 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | trans | -122.6 | 119.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 476 | P | 58.2 | Low | 53 | Low | 99 Ų | 99 | 136.1 Ų | 136.1 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -86.4 | 132 | 173.8 | 29.8 | -29.4 | 0 | 0 | 0 | 112.3 | K478 | P476-K478 PolarHBondContact O-N 2.9Š| ||
| 477 | D | 52.4 | Low | 52.3 | Low | 173 Ų | 173 | 139.8 Ų | 139.8 | 93% | 0.925 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -73.6 | 20.2 | -174.4 | -79.3 | -27.9 | 0 | 0 | 0 | 116.1 | ||
| 478 | K | 53.2 | Low | 51.8 | Low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -155.3 | 101.7 | 176.7 | -145.5 | 153.7 | -175.9 | 171.2 | 0 | 113 | P476 | P476-K478 PolarHBondContact O-N 2.9Š| ||
| 479 | E | 54.5 | Low | 51.3 | Low | 149 Ų | 149 | 152.7 Ų | 152.7 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | -98.1 | 145.4 | 176.2 | -64 | -174.8 | 178.6 | 0 | 0 | 111.8 | ||||
| 480 | F | 49 | Very low | 50.9 | Low | 181 Ų | 181 | 155.9 Ų | 155.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -82.2 | 136.1 | -177.9 | -179.8 | -100.9 | 0 | 0 | 0 | 109.9 | G482 | F480-G482 PolarHBondContact O-N 2.91Š| ||
| 481 | S | 47.8 | Very low | 51 | Low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 108.1 | -177.9 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 482 | G | 58.6 | Low | 51 | Low | 80 Ų | 80 | 150.3 Ų | 150.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.9 | -4.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | F480 | F480-G482 PolarHBondContact O-N 2.91Š|
| 483 | S | 46 | Very low | 50.9 | Low | 61 Ų | 61 | 148.2 Ų | 148.2 | 43% | 0.427 | 78% | 0.781 | S | S | . | * | trans | -107.3 | 90.5 | -179.9 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 484 | D | 48.7 | Very low | 50.6 | Low | 157 Ų | 157 | 147.2 Ų | 147.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -84.2 | 109.3 | 164.1 | -166.3 | 10.1 | 0 | 0 | 0 | 109.3 | G486 | D484-G486 PolarHBondContact O-N 3.13Š| ||
| 485 | H | 46 | Very low | 50.7 | Low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -92.5 | 86.9 | 174.7 | -75.8 | 87.2 | 0 | 0 | 0 | 109.2 | ||||
| 486 | G | 42.7 | Very low | 50.5 | Low | 58 Ų | 58 | 151.2 Ų | 151.2 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | trans | -155.6 | 9.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 120 | D484 | D484-G486 PolarHBondContact O-N 3.13Š| ||
| 487 | Q | 43.2 | Very low | 49.9 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -147.4 | 119.2 | 163.1 | -80.3 | -161.1 | -18.5 | 0 | 0 | 113.2 | R489 | Q487-R489 PolarHBondContact O-N 2.92Š| ||
| 488 | R | 47.3 | Very low | 49.9 | Very low | 237 Ų | 237 | 150.5 Ų | 150.5 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -67.8 | 117.2 | 167 | -77.5 | 179.6 | 170.5 | -176.8 | -3.2 | 109.2 | ||||
| 489 | R | 47 | Very low | 50.3 | Low | 240 Ų | 240 | 146.4 Ų | 146.4 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | -87.4 | 106.1 | 173.7 | -66.1 | 179.5 | -179.5 | -175.9 | -0.7 | 109.5 | Q487 | Q487-R489 PolarHBondContact O-N 2.92Š| ||
| 490 | E | 49.4 | Very low | 50.5 | Low | 187 Ų | 187 | 147.5 Ų | 147.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -99.9 | 102.6 | 162.2 | -72.6 | -163 | 153.7 | 0 | 0 | 109 | ||||
| 491 | G | 63.2 | Low | 51.3 | Low | 60 Ų | 60 | 141 Ų | 141 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 170.5 | 148.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 492 | P | 57.5 | Low | 51.9 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 84% | 0.844 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.3 | 177 | 28.4 | -31.8 | 0 | 0 | 0 | 110.5 | Q494 | P492-Q494 PolarHBondContact O-N 3.33Š|
| 493 | V | 52.9 | Low | 51.9 | Low | 117 Ų | 117 | 142 Ų | 142 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 120 | -176 | 177.3 | 0 | 0 | 0 | 0 | 111 | F495 | V493-F495 HydrophobicContact CG1-CE2 4.46Å; V493-F495 HydrophobicContact CG1-CZ 4.44Å |
| 494 | Q | 48.8 | Very low | 52.6 | Low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.9 | 163.7 | -75.4 | 177.6 | -25.8 | 0 | 0 | 108.6 | P492 | P492-Q494 PolarHBondContact O-N 3.33Š|
| 495 | F | 45.8 | Very low | 53.2 | Low | 191 Ų | 191 | 146.8 Ų | 146.8 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -86 | 139.2 | 168.2 | -68.2 | -85 | 0 | 0 | 0 | 109.1 | V493 | V493-F495 HydrophobicContact CG1-CE2 4.46Å; V493-F495 HydrophobicContact CG1-CZ 4.44Å |
| 496 | E | 47.3 | Very low | 54 | Low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139.5 | 168.9 | -77 | 177.1 | 155.1 | 0 | 0 | 110.8 | ||
| 497 | E | 47.3 | Very low | 54.9 | Low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | 8.9 | 110.7 | 165.6 | -102.9 | 172.8 | 160.8 | 0 | 0 | 119 | P499 | E497-P499 VanDerWaalsContact O-CD 3.24Å; E497-P499 WeakPolarHBondContact O-CD 3.11Å | ||
| 498 | D | 52 | Low | 55.5 | Low | 72 Ų | 72 | 146.8 Ų | 146.8 | 39% | 0.385 | 73% | 0.725 | S | S | . | * | trans | -69.7 | 110.9 | 159.9 | 173.7 | 23.9 | 0 | 0 | 0 | 110 | F500 G501 L502 | D498-F500 PolarHBondContact O-N 3.25Å; D498-F500 PolarHBondContact OD1-N 3.32Å; D498-G501 PolarHBondContact O-N 3.37Å; D498-G501 PolarHBondContact OD2-N 3.47Å; D498-L502 PolarHBondContact OD2-N 3.14Å | ||
| 499 | P | 61 | Low | 55.9 | Low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -5.4 | -175.7 | -16.2 | 31 | 0 | 0 | 0 | 114.3 | E497 | E497-P499 VanDerWaalsContact O-CD 3.24Å; E497-P499 WeakPolarHBondContact O-CD 3.11Å |
| 500 | F | 58.2 | Low | 56.3 | Low | 172 Ų | 172 | 135.9 Ų | 135.9 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 6.4 | -176.3 | -71.6 | -79.1 | 0 | 0 | 0 | 115 | D498 L502 | D498-F500 PolarHBondContact O-N 3.25Å; D498-F500 PolarHBondContact OD1-N 3.32Å; F500-L502 HydrophobicContact CB-CD1 4.24Å; F500-L502 HydrophobicContact CB-CG 4.35Å; F500-L502 PolarHBondContact O-N 3.43Å; F500-L502 VanDerWaalsContact O-N 3.11Å |
| 501 | G | 66.4 | Low | 56.5 | Low | 45 Ų | 45 | 135 Ų | 135 | 46% | 0.464 | 70% | 0.698 | S | S | . | * | trans | 58.7 | 27.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115 | D498 D503 | D498-G501 PolarHBondContact O-N 3.37Å; D498-G501 PolarHBondContact OD2-N 3.47Å; G501-D503 VanDerWaalsContact C-N 3.29Å; G501-D503 PolarHBondContact O-N 3.02Å | ||
| 502 | L | 60.3 | Low | 55.7 | Low | 95 Ų | 95 | 140.8 Ų | 140.8 | 50% | 0.497 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -71.9 | -25.6 | -174.3 | -74.1 | 162.1 | 0 | 0 | 0 | 112 | D498 F500 F505 L506 | D498-L502 PolarHBondContact OD2-N 3.14Å; F500-L502 HydrophobicContact CB-CD1 4.24Å; F500-L502 HydrophobicContact CB-CG 4.35Å; F500-L502 PolarHBondContact O-N 3.43Å; F500-L502 VanDerWaalsContact O-N 3.11Å; L502-F505 PolarHBondContact O-N 3.32Å; L502-L506 PolarHBondContact O-N 3.17Å |
| 503 | D | 59.1 | Low | 54.9 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -67.3 | -37.8 | 178.7 | -81.2 | -13.1 | 0 | 0 | 0 | 113.2 | G501 F505 L506 E507 | G501-D503 VanDerWaalsContact C-N 3.29Å; G501-D503 PolarHBondContact O-N 3.02Å; D503-F505 VanDerWaalsContact C-N 3.31Å; D503-F505 PolarHBondContact O-N 3.15Å; D503-L506 PolarHBondContact O-N 3.18Å; D503-E507 WeakPolarHBondContact O-CB 3.38Å; D503-E507 PolarHBondContact O-N 2.88Å |
| 504 | K | 61.3 | Low | 54.1 | Low | 171 Ų | 171 | 136.5 Ų | 136.5 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -69.6 | -29.6 | 174.4 | -78.8 | -178.9 | 179.3 | 172.5 | 0 | 112.5 | Q508 | K504-Q508 WeakPolarHBondContact O-CB 3.42Å; K504-Q508 PolarHBondContact O-N 3.08Å |
| 505 | F | 61.2 | Low | 53.4 | Low | 148 Ų | 148 | 133.1 Ų | 133.1 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73.4 | -38.9 | 176.9 | -176.9 | -104.2 | 0 | 0 | 0 | 111.8 | L502 D503 A509 | L502-F505 PolarHBondContact O-N 3.32Å; D503-F505 VanDerWaalsContact C-N 3.31Å; D503-F505 PolarHBondContact O-N 3.15Å; F505-A509 WeakPolarHBondContact O-CB 3.31Å; F505-A509 PolarHBondContact O-N 2.63Å; F505-A509 VanDerWaalsContact O-N 3.14Å |
| 506 | L | 62.9 | Low | 52.9 | Low | 112 Ų | 112 | 133.7 Ų | 133.7 | 59% | 0.586 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.9 | -33.6 | 175.4 | -90.2 | 152.4 | 0 | 0 | 0 | 113.1 | L502 D503 K510 | L502-L506 PolarHBondContact O-N 3.17Å; D503-L506 PolarHBondContact O-N 3.18Å; L506-K510 PolarHBondContact O-N 2.66Å |
| 507 | E | 60.2 | Low | 52.5 | Low | 145 Ų | 145 | 135.6 Ų | 135.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -70.2 | -36.9 | 176 | -134.7 | 171 | -166.4 | 0 | 0 | 112.2 | D503 K510 | D503-E507 WeakPolarHBondContact O-CB 3.38Å; D503-E507 PolarHBondContact O-N 2.88Å; E507-K510 PolarHBondContact O-N 2.89Å |
| 508 | Q | 57 | Low | 52.1 | Low | 156 Ų | 156 | 132.5 Ų | 132.5 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.5 | -28.1 | 177.2 | -155.4 | 169.4 | 29.7 | 0 | 0 | 112.9 | K504 K510 | K504-Q508 WeakPolarHBondContact O-CB 3.42Å; K504-Q508 PolarHBondContact O-N 3.08Å; Q508-K510 VanDerWaalsContact C-N 3.32Å |
| 509 | A | 55.9 | Low | 51.1 | Low | 61 Ų | 61 | 133.6 Ų | 133.6 | 50% | 0.504 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -74.8 | -18.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F505 | F505-A509 WeakPolarHBondContact O-CB 3.31Å; F505-A509 PolarHBondContact O-N 2.63Å; F505-A509 VanDerWaalsContact O-N 3.14Å |
| 510 | K | 54.9 | Low | 49.7 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -88.2 | -19.6 | -177.4 | -136.6 | 173.4 | -176.9 | 178.6 | 0 | 114.2 | L506 E507 Q508 | L506-K510 PolarHBondContact O-N 2.66Å; E507-K510 PolarHBondContact O-N 2.89Å; Q508-K510 VanDerWaalsContact C-N 3.32Å |
| 511 | Q | 54.2 | Low | 48.5 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -84.6 | -11.9 | 175.5 | -72.4 | -166.5 | -1.9 | 0 | 0 | 114.2 | ||
| 512 | H | 46.6 | Very low | 46.7 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -137.9 | 79.8 | 174.7 | -79.4 | -75.6 | 0 | 0 | 0 | 111.5 | ||
| 513 | G | 40.8 | Very low | 45.3 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | -171.6 | 58.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 514 | G | 34.7 | Very low | 43.9 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -154.3 | 48.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 515 | S | 33.7 | Very low | 42.6 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -133 | 95.2 | 154.6 | 169.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 516 | K | 36.3 | Very low | 41.2 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | -68.1 | 126.8 | 172.5 | -82.3 | 177.8 | 174.2 | 175.9 | 0 | 110.3 | ||||
| 517 | R | 39.2 | Very low | 40 | Very low | 233 Ų | 233 | 141.5 Ų | 141.5 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -64.8 | 162.6 | 151.7 | -89.5 | 175 | 154.1 | 175.9 | -5.5 | 111.1 | ||||
| 518 | P | 38.8 | Very low | 38.8 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | -119 | 128.3 | 123 | 17.5 | 0.5 | 0 | 0 | 0 | 110.1 | |||||
| 519 | S | 30.7 | Very low | 37.9 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | 59 | 89.4 | 94.5 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 520 | T | 32.1 | Very low | 37 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | 70.9 | 122.4 | 82.5 | 63 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 521 | S | 31.8 | Very low | 36.1 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 74.8 | 115.9 | 153.8 | 72.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 522 | N | 29.3 | Very low | 35.6 | Very low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 179.1 | 147.5 | 80.4 | -114.7 | -24.6 | 0 | 0 | 0 | 113.6 | |||||
| 523 | R | 31.2 | Very low | 35.2 | Very low | 230 Ų | 230 | 151.6 Ų | 151.6 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 68.2 | 144.8 | 155.7 | -69 | 172.5 | 176.8 | 173.5 | -1.9 | 117.3 | ||||
| 524 | S | 30.4 | Very low | 35.4 | Very low | 98 Ų | 98 | 158.9 Ų | 158.9 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | cis | -178.2 | 153.6 | -7.8 | 177.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 525 | K | 32.2 | Very low | 36 | Very low | 170 Ų | 170 | 164.1 Ų | 164.1 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | 80.5 | 117.9 | 145.3 | -124.9 | 161.4 | 177.1 | 175.3 | 0 | 120.4 | ||||
| 526 | D | 32.9 | Very low | 36.4 | Very low | 126 Ų | 126 | 171 Ų | 171 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | 32.4 | 124.2 | 125.7 | -43.1 | -29.9 | 0 | 0 | 0 | 117.7 | |||||
| 527 | D | 36.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 169.3 Ų | 169.3 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | -178 | 157.1 | 90.5 | -117.1 | -34.3 | 0 | 0 | 0 | 114.6 | |||||
| 528 | Y | 36.9 | Very low | 36.3 | Very low | 208 Ų | 208 | 165.9 Ų | 165.9 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -77.9 | 175.1 | 175.4 | -108.4 | -106.3 | 0 | 0 | 0 | 113 | ||||
| 529 | H | 37.8 | Very low | 36.1 | Very low | 159 Ų | 159 | 168.6 Ų | 168.6 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 94.4 | 107.8 | 166.8 | -70.2 | -75 | 0 | 0 | 0 | 117.4 | ||||
| 530 | D | 35.9 | Very low | 36.4 | Very low | 121 Ų | 121 | 172.9 Ų | 172.9 | 65% | 0.647 | 81% | 0.806 | S | S | * | * | 81.1 | 107.9 | 70.2 | -169.8 | 24 | 0 | 0 | 0 | 112.5 | |||||
| 531 | K | 37.2 | Very low | 36.7 | Very low | 194 Ų | 194 | 176.3 Ų | 176.3 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | 179.5 | 132 | 120.7 | -98.9 | 166.6 | -175.6 | 169.9 | 0 | 114.6 | |||||
| 532 | K | 42 | Very low | 37 | Very low | 193 Ų | 193 | 181.1 Ų | 181.1 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -47.1 | 145.8 | 154.4 | -73.8 | 167.7 | 168.2 | 167.9 | 0 | 114.1 | ||||
| 533 | R | 39.1 | Very low | 37.6 | Very low | 235 Ų | 235 | 184.2 Ų | 184.2 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | 162.4 | 120.5 | 116 | -94.5 | 177.2 | 157.7 | 177.2 | -6.4 | 107.2 | |||||
| 534 | R | 45.7 | Very low | 38.1 | Very low | 230 Ų | 230 | 180.7 Ų | 180.7 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | 79.8 | 122.4 | 61.3 | -149.3 | -172 | -165.1 | -178.6 | 5.3 | 113.3 | |||||
| 535 | K | 47.2 | Very low | 38.7 | Very low | 191 Ų | 191 | 187.6 Ų | 187.6 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | trans | 76.1 | 139.7 | 168.2 | -78.8 | -176.8 | 168.5 | -169.7 | 0 | 115.5 | ||||
| 536 | E | 41.3 | Very low | 39.3 | Very low | 264 Ų | 264 | 189.2 Ų | 189.2 | 100% | 1.234 | 84% | 0.839 | S | S | * | * | cis | -106 | 0 | 22 | -76.9 | 169.9 | 147.8 | 0 | 0 | 116.6 |
Retrieved 536 of 536 residues in 164.3 ms
(Link to these results)