| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.6 | Very low | 56.6 | Low | 235 Ų | 235 | 162.5 Ų | 162.5 | 100% | 1.158 | 83% | 0.829 | S | S | * | * | 0 | 107.9 | 0 | -81.3 | 169.2 | 151.8 | 0 | 0 | 108.1 | |||||
| 2 | P | 61 | Low | 56.7 | Low | 125 Ų | 125 | 156.4 Ų | 156.4 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -87.8 | 133.8 | 171.8 | 29.2 | -19.6 | 0 | 0 | 0 | 110.5 | ||||
| 3 | F | 47.1 | Very low | 56.7 | Low | 211 Ų | 211 | 151.3 Ų | 151.3 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -61.9 | 126.6 | -179.2 | -102.3 | -109.9 | 0 | 0 | 0 | 112.3 | ||||
| 4 | Y | 61.3 | Low | 56.5 | Low | 209 Ų | 209 | 143.9 Ų | 143.9 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -86.6 | 112.8 | 161.3 | -93.7 | -95.7 | 0 | 0 | 0 | 108.8 | ||||
| 5 | G | 69 | Low | 56.9 | Low | 56 Ų | 56 | 145.5 Ų | 145.5 | 58% | 0.577 | 78% | 0.777 | S | S | * | * | trans | -77.7 | 162.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q7 | G5-Q7 PolarHBondContact O-N 3.46Š| ||
| 6 | P | 61.1 | Low | 57.1 | Low | 126 Ų | 126 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -67.1 | 130.7 | -168.8 | 27.3 | -32.5 | 0 | 0 | 0 | 111.6 | C8 | P6-C8 PolarHBondContact O-N 3.31Š| ||
| 7 | Q | 56.2 | Low | 57.1 | Low | 167 Ų | 167 | 145.1 Ų | 145.1 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 105.4 | 173.6 | -69.3 | -178 | -2.1 | 0 | 0 | 109.3 | G5 E9 | G5-Q7 PolarHBondContact O-N 3.46Å; Q7-E9 PolarHBondContact O-N 3.42Å | ||
| 8 | C | 54.5 | Low | 57 | Low | 108 Ų | 108 | 143.7 Ų | 143.7 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | -72.1 | 103.2 | 164.9 | -64.7 | 0 | 0 | 0 | 0 | 108.5 | P6 H10 | P6-C8 PolarHBondContact O-N 3.31Å; C8-H10 VanDerWaalsContact C-N 3.33Å; C8-H10 PolarHBondContact O-N 3.39Å | ||
| 9 | E | 54.4 | Low | 57.2 | Low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -66 | 90.4 | 167.1 | -69.2 | -176.3 | 173.8 | 0 | 0 | 109.7 | Q7 K11 | Q7-E9 PolarHBondContact O-N 3.42Å; E9-K11 PolarHBondContact O-N 3.15Å | ||
| 10 | H | 53.7 | Low | 57.3 | Low | 180 Ų | 180 | 141 Ų | 141 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | trans | -70.7 | 97.8 | 165 | -95.9 | -72.9 | 0 | 0 | 0 | 109 | C8 A12 | C8-H10 VanDerWaalsContact C-N 3.33Å; C8-H10 PolarHBondContact O-N 3.39Å; H10-A12 PolarHBondContact O-N 3.21Å; H10-A12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | K | 61.5 | Low | 57.4 | Low | 195 Ų | 195 | 138.4 Ų | 138.4 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -56.2 | 115.9 | 160.3 | -88.6 | 178.8 | 176.6 | 175.5 | 0 | 108.3 | E9 | E9-K11 PolarHBondContact O-N 3.15Š| ||
| 12 | A | 58 | Low | 58.3 | Low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | H10 G14 | H10-A12 PolarHBondContact O-N 3.21Å; H10-A12 VanDerWaalsContact O-N 3.15Å; A12-G14 PolarHBondContact O-N 3.13Å |
| 13 | P | 56.3 | Low | 58.2 | Low | 90 Ų | 90 | 133.9 Ų | 133.9 | 58% | 0.584 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -63 | 134.1 | 178.2 | 25.2 | -31.6 | 0 | 0 | 0 | 110.1 | ||
| 14 | G | 55 | Low | 58.9 | Low | 47 Ų | 47 | 128.5 Ų | 128.5 | 49% | 0.485 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -57 | 144.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A12 D16 K17 | A12-G14 PolarHBondContact O-N 3.13Å; G14-D16 PolarHBondContact O-N 3.48Å; G14-K17 PolarHBondContact O-N 3.13Å |
| 15 | K | 61.4 | Low | 58.8 | Low | 168 Ų | 168 | 124.1 Ų | 124.1 | 73% | 0.73 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -24.9 | -174.3 | -65.6 | -177.8 | 177.8 | -177.1 | 0 | 113.7 | K17 Q18 | K15-K17 VanDerWaalsContact C-N 3.27Å; K15-K17 PolarHBondContact O-N 3.47Å; K15-Q18 PolarHBondContact O-N 3Å |
| 16 | D | 60.5 | Low | 58.4 | Low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.1 | -22.1 | -178.8 | -47.6 | -24.1 | 0 | 0 | 0 | 112.4 | G14 | G14-D16 PolarHBondContact O-N 3.48Å |
| 17 | K | 57.3 | Low | 58.2 | Low | 144 Ų | 144 | 127.7 Ų | 127.7 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -89 | -13.7 | 173.4 | -66.2 | -170.3 | 177.6 | -170 | 0 | 113.6 | G14 K15 V21 | G14-K17 PolarHBondContact O-N 3.13Å; K15-K17 VanDerWaalsContact C-N 3.27Å; K15-K17 PolarHBondContact O-N 3.47Å; K17-V21 VanDerWaalsContact O-CG2 3.26Å; K17-V21 WeakPolarHBondContact O-CG2 3.24Å; K17-V21 PolarHBondContact O-N 3.21Å |
| 18 | Q | 55.7 | Low | 58.3 | Low | 119 Ų | 119 | 123.6 Ų | 123.6 | 56% | 0.556 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.2 | -34.7 | 175.9 | -90.3 | 178.7 | -13.1 | 0 | 0 | 111.7 | K15 V21 E22 | K15-Q18 PolarHBondContact O-N 3Å; Q18-V21 PolarHBondContact O-N 3.3Å; Q18-E22 VanDerWaalsContact O-CB 3.32Å; Q18-E22 WeakPolarHBondContact O-CB 3.39Å; Q18-E22 PolarHBondContact O-N 2.66Å |
| 19 | I | 59.5 | Low | 58.2 | Low | 102 Ų | 102 | 122.3 Ų | 122.3 | 52% | 0.523 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.1 | -41.1 | -180 | -60.4 | 170.4 | 0 | 0 | 0 | 110.6 | V21 E22 E23 | I19-V21 PolarHBondContact O-N 2.83Å; I19-E22 PolarHBondContact O-N 3.04Å; I19-E23 WeakPolarHBondContact O-CB 3.41Å; I19-E23 PolarHBondContact O-N 2.93Å |
| 20 | E | 59.5 | Low | 58.2 | Low | 131 Ų | 131 | 118.7 Ų | 118.7 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.4 | -36.1 | 178.7 | -154 | 174 | -157.3 | 0 | 0 | 111.8 | I24 | E20-I24 HydrophobicContact CG-CD1 4.4Å; E20-I24 WeakPolarHBondContact O-CB 3.08Å; E20-I24 VanDerWaalsContact O-CD1 3.3Å; E20-I24 WeakPolarHBondContact O-CD1 3.37Å; E20-I24 WeakPolarHBondContact O-CG1 3.12Å; E20-I24 PolarHBondContact O-N 2.66Å; E20-I24 VanDerWaalsContact O-N 3.08Å |
| 21 | V | 60.5 | Low | 58.1 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 53% | 0.527 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.1 | -37 | 174.9 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | K17 Q18 I19 Q25 | K17-V21 VanDerWaalsContact O-CG2 3.26Å; K17-V21 WeakPolarHBondContact O-CG2 3.24Å; K17-V21 PolarHBondContact O-N 3.21Å; Q18-V21 PolarHBondContact O-N 3.3Å; I19-V21 PolarHBondContact O-N 2.83Å; V21-Q25 VanDerWaalsContact O-CB 3.25Å; V21-Q25 WeakPolarHBondContact O-CB 3.47Å; V21-Q25 PolarHBondContact O-N 3.24Å |
| 22 | E | 60.5 | Low | 57.7 | Low | 142 Ų | 142 | 112.7 Ų | 112.7 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.5 | -35.1 | 179 | -161.3 | 171.5 | -164.3 | 0 | 0 | 112.1 | Q18 I19 Q25 K26 | Q18-E22 VanDerWaalsContact O-CB 3.32Å; Q18-E22 WeakPolarHBondContact O-CB 3.39Å; Q18-E22 PolarHBondContact O-N 2.66Å; I19-E22 PolarHBondContact O-N 3.04Å; E22-Q25 PolarHBondContact O-N 3.07Å; E22-K26 VanDerWaalsContact O-CB 3.26Å; E22-K26 WeakPolarHBondContact O-CB 3.24Å; E22-K26 PolarHBondContact O-N 3.34Å |
| 23 | E | 60.2 | Low | 57.4 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.6 | -40.4 | 172.6 | -77.9 | -173.7 | 166.1 | 0 | 0 | 112.6 | I19 Q25 K26 N27 | I19-E23 WeakPolarHBondContact O-CB 3.41Å; I19-E23 PolarHBondContact O-N 2.93Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-K26 PolarHBondContact O-N 3.05Å; E23-N27 PolarHBondContact O-N 3.03Å |
| 24 | I | 59.9 | Low | 57.3 | Low | 98 Ų | 98 | 114 Ų | 114 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -42.6 | 173.8 | -67.8 | 165.2 | 0 | 0 | 0 | 110.1 | E20 K26 N27 I28 | E20-I24 HydrophobicContact CG-CD1 4.4Å; E20-I24 WeakPolarHBondContact O-CB 3.08Å; E20-I24 VanDerWaalsContact O-CD1 3.3Å; E20-I24 WeakPolarHBondContact O-CD1 3.37Å; E20-I24 WeakPolarHBondContact O-CG1 3.12Å; E20-I24 PolarHBondContact O-N 2.66Å; E20-I24 VanDerWaalsContact O-N 3.08Å; I24-K26 PolarHBondContact O-N 3.27Å; I24-N27 PolarHBondContact O-N 3.47Å; I24-I28 HydrophobicContact CG2-CD1 3.71Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.44Å |
| 25 | Q | 60.5 | Low | 57.1 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.1 | -31.4 | 179.8 | -166 | 154.1 | 14.2 | 0 | 0 | 112.8 | V21 E22 E23 N29 | V21-Q25 VanDerWaalsContact O-CB 3.25Å; V21-Q25 WeakPolarHBondContact O-CB 3.47Å; V21-Q25 PolarHBondContact O-N 3.24Å; E22-Q25 PolarHBondContact O-N 3.07Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; Q25-N29 WeakPolarHBondContact O-CB 3.29Å; Q25-N29 PolarHBondContact O-N 3.42Å; Q25-N29 PolarHBondContact O-ND2 3.43Å; Q25-N29 VanDerWaalsContact O-ND2 3.09Å |
| 26 | K | 59.6 | Low | 56.5 | Low | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.5 | -31.8 | 174.7 | -165 | 175.7 | -177.4 | -178.3 | 0 | 112.8 | E22 E23 I24 N30 | E22-K26 VanDerWaalsContact O-CB 3.26Å; E22-K26 WeakPolarHBondContact O-CB 3.24Å; E22-K26 PolarHBondContact O-N 3.34Å; E23-K26 PolarHBondContact O-N 3.05Å; I24-K26 PolarHBondContact O-N 3.27Å; K26-N30 PolarHBondContact O-ND2 3.35Å |
| 27 | N | 57.1 | Low | 55.8 | Low | 113 Ų | 113 | 110.3 Ų | 110.3 | 60% | 0.604 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -76.7 | -37.2 | 175.2 | -76.8 | -11.9 | 0 | 0 | 0 | 112.6 | E23 I24 N29 N30 D31 | E23-N27 PolarHBondContact O-N 3.03Å; I24-N27 PolarHBondContact O-N 3.47Å; N27-N29 PolarHBondContact O-N 2.93Å; N27-N30 PolarHBondContact O-N 2.87Å; N27-D31 PolarHBondContact O-N 3.23Å |
| 28 | I | 57.8 | Low | 55.5 | Low | 81 Ų | 81 | 108.9 Ų | 108.9 | 42% | 0.415 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.1 | -66.3 | 165 | 0 | 0 | 0 | 111 | I24 N30 D31 E32 | I24-I28 HydrophobicContact CG2-CD1 3.71Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.44Å; I28-N30 PolarHBondContact O-N 2.87Å; I28-D31 PolarHBondContact O-N 3.28Å; I28-E32 HydrophobicContact CG2-CG 4.24Å; I28-E32 PolarHBondContact O-N 2.96Å; I28-E32 VanDerWaalsContact O-N 3.14Å |
| 29 | N | 53.5 | Low | 55.3 | Low | 81 Ų | 81 | 108 Ų | 108 | 43% | 0.433 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.9 | -17.6 | 179.9 | -73 | -25.9 | 0 | 0 | 0 | 114 | Q25 N27 N33 | Q25-N29 WeakPolarHBondContact O-CB 3.29Å; Q25-N29 PolarHBondContact O-N 3.42Å; Q25-N29 PolarHBondContact O-ND2 3.43Å; Q25-N29 VanDerWaalsContact O-ND2 3.09Å; N27-N29 PolarHBondContact O-N 2.93Å; N29-N33 VanDerWaalsContact O-CG 3.26Å; N29-N33 PolarHBondContact O-ND2 2.91Å |
| 30 | N | 55.1 | Low | 55 | Low | 99 Ų | 99 | 110.4 Ų | 110.4 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -91.5 | -28.2 | 179 | -79.5 | -23.6 | 0 | 0 | 0 | 113.2 | K26 N27 I28 | K26-N30 PolarHBondContact O-ND2 3.35Å; N27-N30 PolarHBondContact O-N 2.87Å; I28-N30 PolarHBondContact O-N 2.87Å |
| 31 | D | 51.9 | Low | 54.9 | Low | 122 Ų | 122 | 111 Ų | 111 | 65% | 0.652 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -86.4 | -34.3 | 176 | -92.7 | -26.1 | 0 | 0 | 0 | 113.1 | N27 I28 N33 N34 E35 | N27-D31 PolarHBondContact O-N 3.23Å; I28-D31 PolarHBondContact O-N 3.28Å; D31-N33 PolarHBondContact O-N 3.47Å; D31-N34 PolarHBondContact O-N 2.81Å; D31-E35 PolarHBondContact O-N 2.98Å |
| 32 | E | 51.8 | Low | 54.9 | Low | 128 Ų | 128 | 109.8 Ų | 109.8 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.6 | -22.7 | 177.2 | -72.3 | -170.7 | 170.1 | 0 | 0 | 113.4 | I28 N34 G36 | I28-E32 HydrophobicContact CG2-CG 4.24Å; I28-E32 PolarHBondContact O-N 2.96Å; I28-E32 VanDerWaalsContact O-N 3.14Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 3.35Å; E32-G36 PolarHBondContact O-N 3.44Å |
| 33 | N | 52.1 | Low | 55.2 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 57% | 0.572 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.3 | -22.6 | 177.2 | -80.9 | -26.4 | 0 | 0 | 0 | 113.1 | N29 D31 F37 | N29-N33 VanDerWaalsContact O-CG 3.26Å; N29-N33 PolarHBondContact O-ND2 2.91Å; D31-N33 PolarHBondContact O-N 3.47Å; N33-F37 WeakPolarHBondContact O-CB 3.31Å; N33-F37 PolarHBondContact O-N 3.25Å |
| 34 | N | 53.4 | Low | 55.7 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -88.3 | -43.3 | 178.4 | -70.8 | -31.7 | 0 | 0 | 0 | 111.1 | D31 E32 I38 | D31-N34 PolarHBondContact O-N 2.81Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 3.35Å; N34-I38 WeakPolarHBondContact O-CB 3.33Å; N34-I38 WeakPolarHBondContact O-CD1 3.44Å; N34-I38 WeakPolarHBondContact O-CG1 3.36Å; N34-I38 PolarHBondContact O-N 2.98Å |
| 35 | E | 51.7 | Low | 56.3 | Low | 141 Ų | 141 | 110 Ų | 110 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.9 | -43.3 | 177.8 | -62.3 | -164.7 | 168.3 | 0 | 0 | 112 | D31 F37 I38 I39 | D31-E35 PolarHBondContact O-N 2.98Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 PolarHBondContact O-N 3.48Å; E35-I38 PolarHBondContact O-N 3.27Å; E35-I39 WeakPolarHBondContact O-CB 3.43Å; E35-I39 WeakPolarHBondContact O-CD1 3.43Å; E35-I39 WeakPolarHBondContact O-CG1 3.38Å; E35-I39 PolarHBondContact O-N 2.88Å |
| 36 | G | 48.4 | Very low | 57.2 | Low | 32 Ų | 32 | 107 Ų | 107 | 33% | 0.33 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -30.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E32 K40 | E32-G36 PolarHBondContact O-N 3.44Å; G36-K40 WeakPolarHBondContact O-CB 3.39Å; G36-K40 VanDerWaalsContact O-CG 3.26Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 2.88Å |
| 37 | F | 45.3 | Very low | 58.3 | Low | 104 Ų | 104 | 106 Ų | 106 | 46% | 0.456 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -81.9 | -32.4 | 176.7 | -166.7 | -113.8 | 0 | 0 | 0 | 112.9 | N33 E35 R41 | N33-F37 WeakPolarHBondContact O-CB 3.31Å; N33-F37 PolarHBondContact O-N 3.25Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 PolarHBondContact O-N 3.48Å; F37-R41 VanDerWaalsContact CE1-NE 3.33Å; F37-R41 VanDerWaalsContact CE1-NH1 3.33Å; F37-R41 WeakPolarHBondContact O-CB 3.2Å; F37-R41 WeakPolarHBondContact O-CG 3.42Å; F37-R41 PolarHBondContact O-N 2.93Å |
| 38 | I | 51.1 | Low | 59.6 | Low | 115 Ų | 115 | 104.5 Ų | 104.5 | 59% | 0.59 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.2 | -40.6 | 170.9 | -68 | 163.8 | 0 | 0 | 0 | 110.4 | N34 E35 R41 S42 | N34-I38 WeakPolarHBondContact O-CB 3.33Å; N34-I38 WeakPolarHBondContact O-CD1 3.44Å; N34-I38 WeakPolarHBondContact O-CG1 3.36Å; N34-I38 PolarHBondContact O-N 2.98Å; E35-I38 PolarHBondContact O-N 3.27Å; I38-R41 PolarHBondContact O-N 2.82Å; I38-S42 WeakPolarHBondContact O-CB 3.32Å; I38-S42 PolarHBondContact O-N 3.42Å; I38-S42 PolarHBondContact O-OG 3.13Å |
| 39 | I | 51.4 | Low | 60.9 | Low | 100 Ų | 100 | 105.7 Ų | 105.7 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 176.9 | -62.5 | 162.8 | 0 | 0 | 0 | 111 | E35 R41 S42 V43 | E35-I39 WeakPolarHBondContact O-CB 3.43Å; E35-I39 WeakPolarHBondContact O-CD1 3.43Å; E35-I39 WeakPolarHBondContact O-CG1 3.38Å; E35-I39 PolarHBondContact O-N 2.88Å; I39-R41 PolarHBondContact O-N 2.93Å; I39-S42 WeakPolarHBondContact CA-OG 3.35Å; I39-S42 PolarHBondContact O-N 3.03Å; I39-S42 PolarHBondContact O-OG 2.8Å; I39-V43 WeakPolarHBondContact O-CG2 3.49Å; I39-V43 PolarHBondContact O-N 3.34Å |
| 40 | K | 53.9 | Low | 62.6 | Low | 152 Ų | 152 | 106 Ų | 106 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 173.6 | -78.1 | 176.1 | 179.4 | 178.1 | 0 | 112.3 | G36 S42 V43 D44 | G36-K40 WeakPolarHBondContact O-CB 3.39Å; G36-K40 VanDerWaalsContact O-CG 3.26Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 2.88Å; K40-S42 PolarHBondContact O-N 3.46Å; K40-V43 PolarHBondContact O-N 2.98Å; K40-D44 PolarHBondContact O-N 3.1Å |
| 41 | R | 56.4 | Low | 64.2 | Low | 145 Ų | 145 | 103.5 Ų | 103.5 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.7 | -30.3 | 174.1 | -81.4 | 179.8 | 170.7 | 168.8 | -2.1 | 113.5 | F37 I38 I39 R45 | F37-R41 VanDerWaalsContact CE1-NE 3.33Å; F37-R41 VanDerWaalsContact CE1-NH1 3.33Å; F37-R41 WeakPolarHBondContact O-CB 3.2Å; F37-R41 WeakPolarHBondContact O-CG 3.42Å; F37-R41 PolarHBondContact O-N 2.93Å; I38-R41 PolarHBondContact O-N 2.82Å; I39-R41 PolarHBondContact O-N 2.93Å; R41-R45 WeakPolarHBondContact O-CB 3.44Å; R41-R45 VanDerWaalsContact O-CG 3.25Å; R41-R45 WeakPolarHBondContact O-CG 3.38Å; R41-R45 PolarHBondContact O-N 3.09Å |
| 42 | S | 61.1 | Low | 66 | Low | 61 Ų | 61 | 102.8 Ų | 102.8 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.8 | -36 | 177.8 | 70.3 | 0 | 0 | 0 | 0 | 112 | I38 I39 K40 R45 A46 | I38-S42 WeakPolarHBondContact O-CB 3.32Å; I38-S42 PolarHBondContact O-N 3.42Å; I38-S42 PolarHBondContact O-OG 3.13Å; I39-S42 WeakPolarHBondContact CA-OG 3.35Å; I39-S42 PolarHBondContact O-N 3.03Å; I39-S42 PolarHBondContact O-OG 2.8Å; K40-S42 PolarHBondContact O-N 3.46Å; S42-R45 PolarHBondContact O-N 3.37Å; S42-A46 WeakPolarHBondContact O-CB 3.32Å; S42-A46 PolarHBondContact O-N 3.06Å |
| 43 | V | 67.6 | Low | 67.9 | Low | 80 Ų | 80 | 101.1 Ų | 101.1 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | I39 K40 R45 A46 M47 | I39-V43 WeakPolarHBondContact O-CG2 3.49Å; I39-V43 PolarHBondContact O-N 3.34Å; K40-V43 PolarHBondContact O-N 2.98Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R45 PolarHBondContact O-N 2.83Å; V43-A46 PolarHBondContact O-N 3.4Å; V43-M47 WeakPolarHBondContact O-CB 3.46Å; V43-M47 PolarHBondContact O-N 3.47Å |
| 44 | D | 69.7 | Low | 69.7 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 175.4 | -76.7 | -18.9 | 0 | 0 | 0 | 112.2 | K40 T48 | K40-D44 PolarHBondContact O-N 3.1Å; D44-T48 WeakPolarHBondContact O-CB 3.33Å; D44-T48 WeakPolarHBondContact O-CG2 3.44Å; D44-T48 PolarHBondContact O-N 3.08Å; D44-T48 PolarHBondContact O-OG1 2.91Å |
| 45 | R | 73.4 | Confident | 71.5 | Confident | 187 Ų | 187 | 101.9 Ų | 101.9 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -39.3 | 173.7 | -75.9 | 177 | -178.1 | -163.2 | 1.1 | 112.4 | R41 S42 V43 T48 L49 | R41-R45 WeakPolarHBondContact O-CB 3.44Å; R41-R45 VanDerWaalsContact O-CG 3.25Å; R41-R45 WeakPolarHBondContact O-CG 3.38Å; R41-R45 PolarHBondContact O-N 3.09Å; S42-R45 PolarHBondContact O-N 3.37Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R45 PolarHBondContact O-N 2.83Å; R45-T48 WeakPolarHBondContact CA-OG1 3.37Å; R45-T48 PolarHBondContact O-OG1 3.13Å; R45-L49 VanDerWaalsContact O-CB 3.31Å; R45-L49 WeakPolarHBondContact O-CB 3.32Å; R45-L49 PolarHBondContact O-N 2.92Å |
| 46 | A | 79 | Confident | 73.5 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S42 V43 L49 T50 | S42-A46 WeakPolarHBondContact O-CB 3.32Å; S42-A46 PolarHBondContact O-N 3.06Å; V43-A46 PolarHBondContact O-N 3.4Å; A46-L49 PolarHBondContact O-N 2.96Å; A46-T50 WeakPolarHBondContact O-CG2 3.34Å; A46-T50 PolarHBondContact O-N 3.28Å; A46-T50 PolarHBondContact O-OG1 2.98Å |
| 47 | M | 83 | Confident | 75.6 | Confident | 122 Ų | 122 | 102.5 Ų | 102.5 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 177.2 | -173.4 | -177.2 | -69.3 | 0 | 0 | 112.1 | V43 T50 A51 | V43-M47 WeakPolarHBondContact O-CB 3.46Å; V43-M47 PolarHBondContact O-N 3.47Å; M47-T50 PolarHBondContact O-OG1 3.23Å; M47-A51 WeakPolarHBondContact O-CB 3.5Å; M47-A51 PolarHBondContact O-N 3.4Å |
| 48 | T | 83.4 | Confident | 77.8 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -36.6 | 175.8 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | D44 R45 A51 L52 | D44-T48 WeakPolarHBondContact O-CB 3.33Å; D44-T48 WeakPolarHBondContact O-CG2 3.44Å; D44-T48 PolarHBondContact O-N 3.08Å; D44-T48 PolarHBondContact O-OG1 2.91Å; R45-T48 WeakPolarHBondContact CA-OG1 3.37Å; R45-T48 PolarHBondContact O-OG1 3.13Å; T48-A51 PolarHBondContact O-N 2.94Å; T48-L52 WeakPolarHBondContact O-CG 3.21Å; T48-L52 PolarHBondContact O-N 3.24Å |
| 49 | L | 86.2 | Confident | 79.7 | Confident | 107 Ų | 107 | 101.9 Ų | 101.9 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 174.5 | -170.7 | 82.1 | 0 | 0 | 0 | 111.7 | R45 A46 A51 L52 I53 | R45-L49 VanDerWaalsContact O-CB 3.31Å; R45-L49 WeakPolarHBondContact O-CB 3.32Å; R45-L49 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 2.96Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 3.32Å; L49-L52 PolarHBondContact O-N 3.34Å; L49-I53 HydrophobicContact CD2-CD1 4.39Å; L49-I53 HydrophobicContact CG-CD1 4.11Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.15Å |
| 50 | T | 88.6 | Confident | 81.7 | Confident | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | A46 M47 I53 F54 | A46-T50 WeakPolarHBondContact O-CG2 3.34Å; A46-T50 PolarHBondContact O-N 3.28Å; A46-T50 PolarHBondContact O-OG1 2.98Å; M47-T50 PolarHBondContact O-OG1 3.23Å; T50-I53 PolarHBondContact O-N 3.2Å; T50-F54 WeakPolarHBondContact O-CB 3.29Å; T50-F54 PolarHBondContact O-N 3.03Å |
| 51 | A | 88.3 | Confident | 83.6 | Confident | 47 Ų | 47 | 96.5 Ų | 96.5 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M47 T48 L49 F54 I55 | M47-A51 WeakPolarHBondContact O-CB 3.5Å; M47-A51 PolarHBondContact O-N 3.4Å; T48-A51 PolarHBondContact O-N 2.94Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 3.32Å; A51-F54 PolarHBondContact O-N 2.97Å; A51-I55 WeakPolarHBondContact O-CD1 3.27Å; A51-I55 VanDerWaalsContact O-CG1 3.24Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 3.36Å |
| 52 | L | 89.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 95.6 Ų | 95.6 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 176 | -76.1 | 173 | 0 | 0 | 0 | 112.4 | T48 L49 F54 I55 V56 | T48-L52 WeakPolarHBondContact O-CG 3.21Å; T48-L52 PolarHBondContact O-N 3.24Å; L49-L52 PolarHBondContact O-N 3.34Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 3.23Å; L52-I55 PolarHBondContact O-N 3.08Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 2.93Å |
| 53 | I | 91.5 | Very high | 86.8 | Confident | 93 Ų | 93 | 98.4 Ų | 98.4 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.4 | -67.7 | 164.3 | 0 | 0 | 0 | 110.1 | L49 T50 I55 V56 V57 | L49-I53 HydrophobicContact CD2-CD1 4.39Å; L49-I53 HydrophobicContact CG-CD1 4.11Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.15Å; T50-I53 PolarHBondContact O-N 3.2Å; I53-I55 VanDerWaalsContact C-N 3.34Å; I53-I55 PolarHBondContact O-N 2.77Å; I53-V56 PolarHBondContact O-N 2.81Å; I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.08Å |
| 54 | F | 91.2 | Very high | 88 | Confident | 142 Ų | 142 | 99.4 Ų | 99.4 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 177.6 | -170.3 | -97.6 | 0 | 0 | 0 | 112 | T50 A51 L52 V57 T58 | T50-F54 WeakPolarHBondContact O-CB 3.29Å; T50-F54 PolarHBondContact O-N 3.03Å; A51-F54 PolarHBondContact O-N 2.97Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 3.23Å; F54-V57 PolarHBondContact O-N 3.11Å; F54-T58 HydrophobicContact CD1-CG2 4.01Å; F54-T58 HydrophobicContact CE1-CG2 3.67Å; F54-T58 HydrophobicContact CE2-CG2 4.44Å; F54-T58 HydrophobicContact CZ-CG2 3.91Å; F54-T58 WeakPolarHBondContact O-CB 3.49Å; F54-T58 VanDerWaalsContact O-CG2 3.29Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.84Å |
| 55 | I | 91.3 | Very high | 89 | Confident | 81 Ų | 81 | 98.7 Ų | 98.7 | 42% | 0.415 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 174 | -69.1 | 164.1 | 0 | 0 | 0 | 110.5 | A51 L52 I53 V57 T58 F59 | A51-I55 WeakPolarHBondContact O-CD1 3.27Å; A51-I55 VanDerWaalsContact O-CG1 3.24Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 3.36Å; L52-I55 PolarHBondContact O-N 3.08Å; I53-I55 VanDerWaalsContact C-N 3.34Å; I53-I55 PolarHBondContact O-N 2.77Å; I55-V57 PolarHBondContact O-N 3.4Å; I55-T58 WeakPolarHBondContact CA-OG1 3.33Å; I55-T58 PolarHBondContact O-N 3.21Å; I55-T58 PolarHBondContact O-OG1 2.98Å; I55-F59 HydrophobicContact CG2-CD2 3.59Å; I55-F59 HydrophobicContact CG2-CE2 3.67Å; I55-F59 VanDerWaalsContact O-CD2 3.27Å; I55-F59 WeakPolarHBondContact O-CD2 3.37Å; I55-F59 PolarHBondContact O-N 3.45Å |
| 56 | V | 92.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 92.3 Ų | 92.3 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | L52 I53 F59 L60 | L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 2.93Å; I53-V56 PolarHBondContact O-N 2.81Å; V56-F59 PolarHBondContact O-N 3.46Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 PolarHBondContact O-N 3.28Å |
| 57 | V | 92.8 | Very high | 90.4 | Very high | 91 Ų | 91 | 97 Ų | 97 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 179 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | I53 F54 I55 L60 G61 | I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.08Å; F54-V57 PolarHBondContact O-N 3.11Å; I55-V57 PolarHBondContact O-N 3.4Å; V57-L60 PolarHBondContact O-N 3Å; V57-G61 PolarHBondContact O-N 2.88Å |
| 58 | T | 91.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 97.2 Ų | 97.2 | 36% | 0.356 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 177 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | F54 I55 L60 G61 M62 | F54-T58 HydrophobicContact CD1-CG2 4.01Å; F54-T58 HydrophobicContact CE1-CG2 3.67Å; F54-T58 HydrophobicContact CE2-CG2 4.44Å; F54-T58 HydrophobicContact CZ-CG2 3.91Å; F54-T58 WeakPolarHBondContact O-CB 3.49Å; F54-T58 VanDerWaalsContact O-CG2 3.29Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.84Å; I55-T58 WeakPolarHBondContact CA-OG1 3.33Å; I55-T58 PolarHBondContact O-N 3.21Å; I55-T58 PolarHBondContact O-OG1 2.98Å; T58-L60 PolarHBondContact O-N 3Å; T58-G61 PolarHBondContact O-N 3.17Å; T58-M62 WeakPolarHBondContact O-CB 3.48Å; T58-M62 WeakPolarHBondContact O-CG 3.39Å; T58-M62 PolarHBondContact O-N 2.88Å |
| 59 | F | 91.4 | Very high | 90.9 | Very high | 149 Ų | 149 | 96.7 Ų | 96.7 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 173 | -89.8 | -74.5 | 0 | 0 | 0 | 112.1 | I55 V56 M62 L63 | I55-F59 HydrophobicContact CG2-CD2 3.59Å; I55-F59 HydrophobicContact CG2-CE2 3.67Å; I55-F59 VanDerWaalsContact O-CD2 3.27Å; I55-F59 WeakPolarHBondContact O-CD2 3.37Å; I55-F59 PolarHBondContact O-N 3.45Å; V56-F59 PolarHBondContact O-N 3.46Å; F59-M62 PolarHBondContact O-N 2.99Å; F59-L63 WeakPolarHBondContact O-CB 3.4Å; F59-L63 PolarHBondContact O-N 3.03Å |
| 60 | L | 92.7 | Very high | 90.9 | Very high | 102 Ų | 102 | 94.4 Ų | 94.4 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.7 | -155.1 | 74.6 | 0 | 0 | 0 | 111.5 | V56 V57 T58 L63 I64 | V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 PolarHBondContact O-N 3.28Å; V57-L60 PolarHBondContact O-N 3Å; T58-L60 PolarHBondContact O-N 3Å; L60-L63 PolarHBondContact O-N 2.91Å; L60-I64 HydrophobicContact CG-CD1 4.35Å; L60-I64 WeakPolarHBondContact O-CD1 3.42Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 2.8Å |
| 61 | G | 93.6 | Very high | 90.5 | Very high | 37 Ų | 37 | 97.2 Ų | 97.2 | 38% | 0.381 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V57 T58 I64 L65 | V57-G61 PolarHBondContact O-N 2.88Å; T58-G61 PolarHBondContact O-N 3.17Å; G61-I64 PolarHBondContact O-N 3.18Å; G61-L65 WeakPolarHBondContact O-CB 3.38Å; G61-L65 PolarHBondContact O-N 3.29Å |
| 62 | M | 91.8 | Very high | 90.1 | Very high | 126 Ų | 126 | 102 Ų | 102 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -37.5 | 175.5 | -71.8 | -65 | -74.1 | 0 | 0 | 112.1 | T58 F59 L65 A66 | T58-M62 WeakPolarHBondContact O-CB 3.48Å; T58-M62 WeakPolarHBondContact O-CG 3.39Å; T58-M62 PolarHBondContact O-N 2.88Å; F59-M62 PolarHBondContact O-N 2.99Å; M62-L65 PolarHBondContact O-N 3.4Å; M62-L65 HydrophobicContact SD-CD2 4.45Å; M62-A66 VanDerWaalsContact O-CB 3.26Å; M62-A66 WeakPolarHBondContact O-CB 3.48Å; M62-A66 PolarHBondContact O-N 3.3Å |
| 63 | L | 93 | Very high | 89.4 | Confident | 120 Ų | 120 | 104.3 Ų | 104.3 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 175.9 | -164.1 | 91.1 | 0 | 0 | 0 | 111.3 | F59 L60 A66 W67 | F59-L63 WeakPolarHBondContact O-CB 3.4Å; F59-L63 PolarHBondContact O-N 3.03Å; L60-L63 PolarHBondContact O-N 2.91Å; L63-A66 PolarHBondContact O-N 3.34Å; L63-W67 VanDerWaalsContact O-CB 3.29Å; L63-W67 WeakPolarHBondContact O-CB 3.27Å; L63-W67 PolarHBondContact O-N 3.38Å |
| 64 | I | 92.7 | Very high | 88.5 | Confident | 101 Ų | 101 | 108.9 Ų | 108.9 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.3 | -67.2 | 163.9 | 0 | 0 | 0 | 110.4 | L60 G61 W67 Y68 | L60-I64 HydrophobicContact CG-CD1 4.35Å; L60-I64 WeakPolarHBondContact O-CD1 3.42Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 2.8Å; G61-I64 PolarHBondContact O-N 3.18Å; I64-W67 PolarHBondContact O-N 3Å; I64-Y68 VanDerWaalsContact O-CB 3.26Å; I64-Y68 WeakPolarHBondContact O-CB 3.43Å; I64-Y68 PolarHBondContact O-N 2.73Å |
| 65 | L | 92.2 | Very high | 87.5 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.8 | -175 | 63.9 | 0 | 0 | 0 | 111.6 | G61 M62 W67 Y68 I69 | G61-L65 WeakPolarHBondContact O-CB 3.38Å; G61-L65 PolarHBondContact O-N 3.29Å; M62-L65 PolarHBondContact O-N 3.4Å; M62-L65 HydrophobicContact SD-CD2 4.45Å; L65-W67 VanDerWaalsContact C-N 3.34Å; L65-W67 PolarHBondContact O-N 2.91Å; L65-Y68 PolarHBondContact O-N 3.4Å; L65-I69 HydrophobicContact CD1-CD1 4.21Å; L65-I69 HydrophobicContact CD1-CG1 4.5Å; L65-I69 HydrophobicContact CG-CD1 3.96Å; L65-I69 WeakPolarHBondContact O-CB 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.15Å; L65-I69 PolarHBondContact O-N 3.36Å |
| 66 | A | 90.9 | Very high | 86.4 | Confident | 53 Ų | 53 | 108.9 Ų | 108.9 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M62 L63 S70 | M62-A66 VanDerWaalsContact O-CB 3.26Å; M62-A66 WeakPolarHBondContact O-CB 3.48Å; M62-A66 PolarHBondContact O-N 3.3Å; L63-A66 PolarHBondContact O-N 3.34Å; A66-S70 VanDerWaalsContact O-CB 3.25Å; A66-S70 WeakPolarHBondContact O-CB 3.17Å; A66-S70 PolarHBondContact O-N 3.2Å; A66-S70 PolarHBondContact O-OG 3.37Å |
| 67 | W | 90.5 | Very high | 85.2 | Confident | 152 Ų | 152 | 111 Ų | 111 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 174.5 | -179.5 | 80 | 0 | 0 | 0 | 111.8 | L63 I64 L65 S70 R71 | L63-W67 VanDerWaalsContact O-CB 3.29Å; L63-W67 WeakPolarHBondContact O-CB 3.27Å; L63-W67 PolarHBondContact O-N 3.38Å; I64-W67 PolarHBondContact O-N 3Å; L65-W67 VanDerWaalsContact C-N 3.34Å; L65-W67 PolarHBondContact O-N 2.91Å; W67-S70 PolarHBondContact O-N 3.31Å; W67-R71 VanDerWaalsContact CH2-NH1 3.25Å; W67-R71 WeakPolarHBondContact O-CB 3.43Å; W67-R71 PolarHBondContact O-N 3.04Å |
| 68 | Y | 90.8 | Very high | 84 | Confident | 125 Ų | 125 | 109.4 Ų | 109.4 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 177.3 | 179.3 | -98.5 | 0 | 0 | 0 | 111.8 | I64 L65 S70 R71 R72 | I64-Y68 VanDerWaalsContact O-CB 3.26Å; I64-Y68 WeakPolarHBondContact O-CB 3.43Å; I64-Y68 PolarHBondContact O-N 2.73Å; L65-Y68 PolarHBondContact O-N 3.4Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 3.16Å; Y68-R71 PolarHBondContact O-N 3.1Å; Y68-R72 WeakPolarHBondContact O-CB 3.16Å; Y68-R72 PolarHBondContact O-N 3.31Å |
| 69 | I | 86.5 | Confident | 82.9 | Confident | 71 Ų | 71 | 114.9 Ų | 114.9 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.5 | -66.2 | 165.8 | 0 | 0 | 0 | 110.3 | L65 R72 R73 | L65-I69 HydrophobicContact CD1-CD1 4.21Å; L65-I69 HydrophobicContact CD1-CG1 4.5Å; L65-I69 HydrophobicContact CG-CD1 3.96Å; L65-I69 WeakPolarHBondContact O-CB 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.15Å; L65-I69 PolarHBondContact O-N 3.36Å; I69-R72 PolarHBondContact O-N 2.98Å; I69-R73 HydrophobicContact CG2-CG 4.28Å; I69-R73 WeakPolarHBondContact O-CB 3.23Å; I69-R73 VanDerWaalsContact O-CG 3.27Å; I69-R73 WeakPolarHBondContact O-CG 3.31Å; I69-R73 PolarHBondContact O-N 3.34Å |
| 70 | S | 85.4 | Confident | 81.9 | Confident | 60 Ų | 60 | 112.6 Ų | 112.6 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | A66 W67 Y68 R73 R74 | A66-S70 VanDerWaalsContact O-CB 3.25Å; A66-S70 WeakPolarHBondContact O-CB 3.17Å; A66-S70 PolarHBondContact O-N 3.2Å; A66-S70 PolarHBondContact O-OG 3.37Å; W67-S70 PolarHBondContact O-N 3.31Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 3.16Å; S70-R73 PolarHBondContact O-N 3.49Å; S70-R74 WeakPolarHBondContact O-CG 3.22Å; S70-R74 PolarHBondContact O-N 2.92Å; S70-R74 VanDerWaalsContact O-N 3.1Å |
| 71 | R | 80 | Confident | 80.9 | Confident | 146 Ų | 146 | 115.2 Ų | 115.2 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 177.3 | -168.7 | 171.3 | -174.4 | 159 | 0.4 | 111.6 | W67 Y68 R74 | W67-R71 VanDerWaalsContact CH2-NH1 3.25Å; W67-R71 WeakPolarHBondContact O-CB 3.43Å; W67-R71 PolarHBondContact O-N 3.04Å; Y68-R71 PolarHBondContact O-N 3.1Å; R71-R74 PolarHBondContact O-N 3.42Å |
| 72 | R | 81.1 | Confident | 79.9 | Confident | 148 Ų | 148 | 120.4 Ų | 120.4 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -46.4 | 175 | -171 | 170.7 | -179.6 | 170.6 | -0.7 | 111.4 | Y68 I69 R74 K75 D76 | Y68-R72 WeakPolarHBondContact O-CB 3.16Å; Y68-R72 PolarHBondContact O-N 3.31Å; I69-R72 PolarHBondContact O-N 2.98Å; R72-R74 VanDerWaalsContact C-N 3.29Å; R72-R74 PolarHBondContact O-N 3.42Å; R72-K75 WeakPolarHBondContact O-CB 3.13Å; R72-K75 PolarHBondContact O-N 3.49Å; R72-D76 PolarHBondContact O-N 3.05Å |
| 73 | R | 73.7 | Confident | 78.9 | Confident | 154 Ų | 154 | 119.4 Ų | 119.4 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.9 | -38.1 | 176.2 | -77.1 | -178 | -176.5 | -166.2 | 2.5 | 112.2 | I69 S70 K75 D76 Y77 | I69-R73 HydrophobicContact CG2-CG 4.28Å; I69-R73 WeakPolarHBondContact O-CB 3.23Å; I69-R73 VanDerWaalsContact O-CG 3.27Å; I69-R73 WeakPolarHBondContact O-CG 3.31Å; I69-R73 PolarHBondContact O-N 3.34Å; S70-R73 PolarHBondContact O-N 3.49Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 3.33Å; R73-D76 PolarHBondContact O-N 2.84Å; R73-D76 VanDerWaalsContact O-N 3.15Å; R73-Y77 HydrophobicContact CB-CD2 4.2Å; R73-Y77 HydrophobicContact CB-CE2 4.38Å; R73-Y77 WeakPolarHBondContact O-CB 3.49Å; R73-Y77 VanDerWaalsContact O-CD2 3.25Å; R73-Y77 WeakPolarHBondContact O-CD2 3.3Å; R73-Y77 PolarHBondContact O-N 3.09Å |
| 74 | R | 72.2 | Confident | 77.8 | Confident | 190 Ų | 190 | 115.5 Ų | 115.5 | 72% | 0.717 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -38.2 | 175.8 | -70.8 | -176.6 | -161 | 176.5 | 3.7 | 112.7 | S70 R71 R72 A78 | S70-R74 WeakPolarHBondContact O-CG 3.22Å; S70-R74 PolarHBondContact O-N 2.92Å; S70-R74 VanDerWaalsContact O-N 3.1Å; R71-R74 PolarHBondContact O-N 3.42Å; R72-R74 VanDerWaalsContact C-N 3.29Å; R72-R74 PolarHBondContact O-N 3.42Å; R74-A78 PolarHBondContact O-N 3.01Å |
| 75 | K | 70.6 | Confident | 76.6 | Confident | 142 Ų | 142 | 115.1 Ų | 115.1 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -41.9 | 175.3 | -64.4 | -170.4 | 176.4 | -168.7 | 0 | 111.3 | R72 R73 R79 | R72-K75 WeakPolarHBondContact O-CB 3.13Å; R72-K75 PolarHBondContact O-N 3.49Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 3.33Å; K75-R79 PolarHBondContact O-N 3.38Å |
| 76 | D | 69 | Low | 75.4 | Confident | 81 Ų | 81 | 116.6 Ų | 116.6 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 179.5 | -63.3 | -35.8 | 0 | 0 | 0 | 112.2 | R72 R73 A78 R79 W80 | R72-D76 PolarHBondContact O-N 3.05Å; R73-D76 PolarHBondContact O-N 2.84Å; R73-D76 VanDerWaalsContact O-N 3.15Å; D76-A78 PolarHBondContact O-N 3.06Å; D76-R79 PolarHBondContact O-N 2.81Å; D76-W80 VanDerWaalsContact O-CB 3.31Å; D76-W80 WeakPolarHBondContact O-CB 3.44Å; D76-W80 PolarHBondContact O-N 2.81Å |
| 77 | Y | 67 | Low | 74.2 | Confident | 138 Ų | 138 | 116.7 Ų | 116.7 | 54% | 0.541 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.1 | -93 | -76.5 | 0 | 0 | 0 | 112.5 | R73 W80 R81 | R73-Y77 HydrophobicContact CB-CD2 4.2Å; R73-Y77 HydrophobicContact CB-CE2 4.38Å; R73-Y77 WeakPolarHBondContact O-CB 3.49Å; R73-Y77 VanDerWaalsContact O-CD2 3.25Å; R73-Y77 WeakPolarHBondContact O-CD2 3.3Å; R73-Y77 PolarHBondContact O-N 3.09Å; Y77-W80 PolarHBondContact O-N 3.35Å; Y77-R81 WeakPolarHBondContact O-CB 3.27Å; Y77-R81 PolarHBondContact O-N 3.18Å |
| 78 | A | 66.9 | Low | 72.9 | Confident | 57 Ų | 57 | 115.4 Ų | 115.4 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | R74 D76 K82 | R74-A78 PolarHBondContact O-N 3.01Å; D76-A78 PolarHBondContact O-N 3.06Å; A78-K82 PolarHBondContact O-N 3.48Å |
| 79 | R | 68 | Low | 71.8 | Confident | 173 Ų | 173 | 116 Ų | 116 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.4 | -39.9 | 176 | -164.5 | 177 | -172.7 | -170.7 | 1.2 | 111.4 | K75 D76 K82 M83 | K75-R79 PolarHBondContact O-N 3.38Å; D76-R79 PolarHBondContact O-N 2.81Å; R79-K82 PolarHBondContact O-N 3.24Å; R79-M83 HydrophobicContact CG-CE 4.12Å; R79-M83 WeakPolarHBondContact O-CG 3.34Å; R79-M83 PolarHBondContact O-N 2.91Å |
| 80 | W | 71.1 | Confident | 70.5 | Confident | 102 Ų | 102 | 116 Ų | 116 | 39% | 0.386 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 176.6 | -172.6 | 81.4 | 0 | 0 | 0 | 111.8 | D76 Y77 K82 M83 T84 P404 | D76-W80 VanDerWaalsContact O-CB 3.31Å; D76-W80 WeakPolarHBondContact O-CB 3.44Å; D76-W80 PolarHBondContact O-N 2.81Å; Y77-W80 PolarHBondContact O-N 3.35Å; W80-K82 VanDerWaalsContact C-N 3.3Å; W80-K82 PolarHBondContact O-N 2.99Å; W80-M83 PolarHBondContact O-N 2.92Å; W80-M83 VanDerWaalsContact O-N 3.09Å; W80-T84 HydrophobicContact CD2-CG2 3.73Å; W80-T84 VanDerWaalsContact CE2-CG2 3.45Å; W80-T84 HydrophobicContact CE3-CG2 4.03Å; W80-T84 HydrophobicContact CG-CG2 4.39Å; W80-T84 HydrophobicContact CH2-CG2 3.87Å; W80-T84 HydrophobicContact CZ2-CG2 3.54Å; W80-T84 HydrophobicContact CZ3-CG2 4.09Å; W80-T84 WeakPolarHBondContact O-CG2 3.44Å; W80-T84 PolarHBondContact O-N 2.71Å; W80-T84 PolarHBondContact O-OG1 3.41Å; W80-T84 VanDerWaalsContact O-OG1 3.1Å; W80-P404 HydrophobicContact CZ2-CG 4.18Å |
| 81 | R | 72.1 | Confident | 69.1 | Low | 156 Ų | 156 | 115.5 Ų | 115.5 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -54.7 | -44.4 | 172.7 | -110.4 | -155.7 | -165.8 | 175.9 | 6 | 112 | Y77 M83 T84 E85 | Y77-R81 WeakPolarHBondContact O-CB 3.27Å; Y77-R81 PolarHBondContact O-N 3.18Å; R81-M83 PolarHBondContact O-N 2.94Å; R81-T84 WeakPolarHBondContact CA-OG1 3.25Å; R81-T84 PolarHBondContact O-N 3.19Å; R81-T84 PolarHBondContact O-OG1 3.02Å; R81-E85 WeakPolarHBondContact O-CB 3.49Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.45Å |
| 82 | K | 73.3 | Confident | 68 | Low | 147 Ų | 147 | 114.1 Ų | 114.1 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 177.2 | -72.1 | -177.5 | 179.8 | -177.1 | 0 | 112.1 | A78 R79 W80 L86 | A78-K82 PolarHBondContact O-N 3.48Å; R79-K82 PolarHBondContact O-N 3.24Å; W80-K82 VanDerWaalsContact C-N 3.3Å; W80-K82 PolarHBondContact O-N 2.99Å; K82-L86 WeakPolarHBondContact O-CB 3.25Å; K82-L86 WeakPolarHBondContact O-CG 3.43Å; K82-L86 PolarHBondContact O-N 3.45Å |
| 83 | M | 70.6 | Confident | 66.7 | Low | 105 Ų | 105 | 113.6 Ų | 113.6 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 177.4 | -71.9 | 177.9 | 178.1 | 0 | 0 | 112.3 | R79 W80 R81 L86 A87 | R79-M83 HydrophobicContact CG-CE 4.12Å; R79-M83 WeakPolarHBondContact O-CG 3.34Å; R79-M83 PolarHBondContact O-N 2.91Å; W80-M83 PolarHBondContact O-N 2.92Å; W80-M83 VanDerWaalsContact O-N 3.09Å; R81-M83 PolarHBondContact O-N 2.94Å; M83-L86 PolarHBondContact O-N 3.2Å; M83-A87 WeakPolarHBondContact O-CB 3.34Å; M83-A87 PolarHBondContact O-N 3.21Å |
| 84 | T | 68.9 | Low | 65.6 | Low | 37 Ų | 37 | 111.4 Ų | 111.4 | 23% | 0.227 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -71.2 | -38.4 | 178.2 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | W80 R81 A87 M88 | W80-T84 HydrophobicContact CD2-CG2 3.73Å; W80-T84 VanDerWaalsContact CE2-CG2 3.45Å; W80-T84 HydrophobicContact CE3-CG2 4.03Å; W80-T84 HydrophobicContact CG-CG2 4.39Å; W80-T84 HydrophobicContact CH2-CG2 3.87Å; W80-T84 HydrophobicContact CZ2-CG2 3.54Å; W80-T84 HydrophobicContact CZ3-CG2 4.09Å; W80-T84 WeakPolarHBondContact O-CG2 3.44Å; W80-T84 PolarHBondContact O-N 2.71Å; W80-T84 PolarHBondContact O-OG1 3.41Å; W80-T84 VanDerWaalsContact O-OG1 3.1Å; R81-T84 WeakPolarHBondContact CA-OG1 3.25Å; R81-T84 PolarHBondContact O-N 3.19Å; R81-T84 PolarHBondContact O-OG1 3.02Å; T84-A87 PolarHBondContact O-N 3.15Å; T84-M88 WeakPolarHBondContact O-CB 3.42Å; T84-M88 WeakPolarHBondContact O-CG 3.34Å; T84-M88 PolarHBondContact O-N 3.08Å |
| 85 | E | 68 | Low | 64.6 | Low | 93 Ų | 93 | 109.7 Ų | 109.7 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 171.7 | -76.9 | 178.1 | -157.4 | 0 | 0 | 112.1 | R81 K89 | R81-E85 WeakPolarHBondContact O-CB 3.49Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.45Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 VanDerWaalsContact O-CG 3.27Å; E85-K89 WeakPolarHBondContact O-CG 3.26Å; E85-K89 PolarHBondContact O-N 2.89Å |
| 86 | L | 67.5 | Low | 63.7 | Low | 119 Ų | 119 | 105.4 Ų | 105.4 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 175.4 | -74.1 | 171.1 | 0 | 0 | 0 | 111.9 | K82 M83 K89 S90 | K82-L86 WeakPolarHBondContact O-CB 3.25Å; K82-L86 WeakPolarHBondContact O-CG 3.43Å; K82-L86 PolarHBondContact O-N 3.45Å; M83-L86 PolarHBondContact O-N 3.2Å; L86-K89 PolarHBondContact O-N 2.89Å; L86-S90 WeakPolarHBondContact O-CB 3.29Å; L86-S90 PolarHBondContact O-N 3.05Å; L86-S90 PolarHBondContact O-OG 2.96Å |
| 87 | A | 65.8 | Low | 62.8 | Low | 54 Ų | 54 | 105.3 Ų | 105.3 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M83 T84 S90 S91 | M83-A87 WeakPolarHBondContact O-CB 3.34Å; M83-A87 PolarHBondContact O-N 3.21Å; T84-A87 PolarHBondContact O-N 3.15Å; A87-S90 WeakPolarHBondContact CA-OG 3.27Å; A87-S90 PolarHBondContact O-OG 3Å; A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 3.4Å; A87-S91 PolarHBondContact O-N 3.25Å; A87-S91 PolarHBondContact O-OG 3.26Å |
| 88 | M | 63.5 | Low | 62.1 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 173.5 | -75.7 | -175 | -178 | 0 | 0 | 110.8 | T84 S90 S91 I92 | T84-M88 WeakPolarHBondContact O-CB 3.42Å; T84-M88 WeakPolarHBondContact O-CG 3.34Å; T84-M88 PolarHBondContact O-N 3.08Å; M88-S90 PolarHBondContact O-N 3.32Å; M88-S91 PolarHBondContact O-N 3.26Å; M88-S91 PolarHBondContact O-OG 3.15Å; M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 2.84Å |
| 89 | K | 67.2 | Low | 61.1 | Low | 137 Ų | 137 | 108.1 Ų | 108.1 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -39.7 | 177 | -74.2 | 172.1 | -179.7 | 173 | 0 | 112.6 | E85 L86 K93 | E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 VanDerWaalsContact O-CG 3.27Å; E85-K89 WeakPolarHBondContact O-CG 3.26Å; E85-K89 PolarHBondContact O-N 2.89Å; L86-K89 PolarHBondContact O-N 2.89Å; K89-K93 PolarHBondContact O-N 2.84Å |
| 90 | S | 59.4 | Low | 60 | Low | 71 Ų | 71 | 103.2 Ų | 103.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 176 | 67.4 | 0 | 0 | 0 | 0 | 112 | L86 A87 M88 I92 K93 E94 | L86-S90 WeakPolarHBondContact O-CB 3.29Å; L86-S90 PolarHBondContact O-N 3.05Å; L86-S90 PolarHBondContact O-OG 2.96Å; A87-S90 WeakPolarHBondContact CA-OG 3.27Å; A87-S90 PolarHBondContact O-OG 3Å; M88-S90 PolarHBondContact O-N 3.32Å; S90-I92 VanDerWaalsContact C-N 3.31Å; S90-I92 PolarHBondContact O-N 3.39Å; S90-K93 PolarHBondContact O-N 3.3Å; S90-E94 PolarHBondContact O-N 3.47Å |
| 91 | S | 56 | Low | 58.7 | Low | 49 Ų | 49 | 104.5 Ų | 104.5 | 34% | 0.343 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -29.3 | 178.3 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | A87 M88 K95 | A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 3.4Å; A87-S91 PolarHBondContact O-N 3.25Å; A87-S91 PolarHBondContact O-OG 3.26Å; M88-S91 PolarHBondContact O-N 3.26Å; M88-S91 PolarHBondContact O-OG 3.15Å; S91-K95 WeakPolarHBondContact O-CG 3.5Å; S91-K95 PolarHBondContact O-N 3.29Å |
| 92 | I | 55.4 | Low | 57.4 | Low | 117 Ų | 117 | 103.4 Ų | 103.4 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.6 | -39.8 | 174.7 | -67 | 165 | 0 | 0 | 0 | 110.1 | M88 S90 K95 S96 | M88-I92 WeakPolarHBondContact O-CG1 3.33Å; M88-I92 PolarHBondContact O-N 2.84Å; S90-I92 VanDerWaalsContact C-N 3.31Å; S90-I92 PolarHBondContact O-N 3.39Å; I92-K95 PolarHBondContact O-N 3.33Å; I92-S96 PolarHBondContact O-N 3.47Å; I92-S96 PolarHBondContact O-OG 2.87Å |
| 93 | K | 54.2 | Low | 55.9 | Low | 138 Ų | 138 | 100.5 Ų | 100.5 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.8 | -37.6 | 177.7 | -163.9 | 175.5 | -179.5 | -174.5 | 0 | 112.8 | K89 S90 K95 S96 D97 | K89-K93 PolarHBondContact O-N 2.84Å; S90-K93 PolarHBondContact O-N 3.3Å; K93-K95 VanDerWaalsContact C-N 3.33Å; K93-K95 PolarHBondContact O-N 2.84Å; K93-S96 WeakPolarHBondContact CA-OG 3.24Å; K93-S96 PolarHBondContact O-N 3.49Å; K93-S96 PolarHBondContact O-OG 3.34Å; K93-D97 WeakPolarHBondContact O-CB 3.26Å; K93-D97 VanDerWaalsContact O-CG 3.25Å; K93-D97 PolarHBondContact O-N 2.99Å |
| 94 | E | 50.6 | Low | 54.6 | Low | 108 Ų | 108 | 103.2 Ų | 103.2 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -32.2 | 176.4 | -163.1 | -172.8 | 157.8 | 0 | 0 | 112.3 | S90 K98 | S90-E94 PolarHBondContact O-N 3.47Å; E94-K98 HydrophobicContact CG-CD 4.35Å; E94-K98 WeakPolarHBondContact O-CB 3.5Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å; E94-K98 PolarHBondContact O-N 3.06Å; E94-K98 VanDerWaalsContact O-N 3.07Å; E94-K98 WeakPolarHBondContact OE1-CE 3.25Å; E94-K98 IonicContact OE1-NZ 2.66Å; E94-K98 PolarHBondContact OE1-NZ 2.77Å |
| 95 | K | 51.4 | Low | 53.4 | Low | 153 Ų | 153 | 108.1 Ų | 108.1 | 67% | 0.665 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.5 | -35.4 | 173.4 | -73.7 | 178.2 | -178.6 | 179.3 | 0 | 112.5 | S91 I92 K93 Q99 | S91-K95 WeakPolarHBondContact O-CG 3.5Å; S91-K95 PolarHBondContact O-N 3.29Å; I92-K95 PolarHBondContact O-N 3.33Å; K93-K95 VanDerWaalsContact C-N 3.33Å; K93-K95 PolarHBondContact O-N 2.84Å; K95-Q99 VanDerWaalsContact O-CB 3.24Å; K95-Q99 WeakPolarHBondContact O-CB 3.38Å; K95-Q99 PolarHBondContact O-N 3.47Å |
| 96 | S | 52 | Low | 52.1 | Low | 52 Ų | 52 | 111.8 Ų | 111.8 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -42.3 | 173 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | I92 K93 Q99 T100 | I92-S96 PolarHBondContact O-N 3.47Å; I92-S96 PolarHBondContact O-OG 2.87Å; K93-S96 WeakPolarHBondContact CA-OG 3.24Å; K93-S96 PolarHBondContact O-N 3.49Å; K93-S96 PolarHBondContact O-OG 3.34Å; S96-Q99 PolarHBondContact O-N 3.15Å; S96-T100 PolarHBondContact O-N 3.44Å; S96-T100 PolarHBondContact O-OG1 3.27Å |
| 97 | D | 51.1 | Low | 50.9 | Low | 80 Ų | 80 | 112.7 Ų | 112.7 | 43% | 0.428 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.2 | -33.5 | -177.5 | -69.2 | -9.6 | 0 | 0 | 0 | 111.8 | K93 T100 Q101 | K93-D97 WeakPolarHBondContact O-CB 3.26Å; K93-D97 VanDerWaalsContact O-CG 3.25Å; K93-D97 PolarHBondContact O-N 2.99Å; D97-T100 WeakPolarHBondContact CA-OG1 3.34Å; D97-T100 PolarHBondContact O-OG1 2.84Å; D97-Q101 WeakPolarHBondContact O-CB 3.38Å; D97-Q101 PolarHBondContact O-N 3.21Å |
| 98 | K | 51.6 | Low | 49.6 | Very low | 113 Ų | 113 | 118 Ų | 118 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.4 | -31.9 | 171 | -72.8 | 173 | 175.9 | 172.3 | 0 | 112.8 | E94 I102 | E94-K98 HydrophobicContact CG-CD 4.35Å; E94-K98 WeakPolarHBondContact O-CB 3.5Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å; E94-K98 PolarHBondContact O-N 3.06Å; E94-K98 VanDerWaalsContact O-N 3.07Å; E94-K98 WeakPolarHBondContact OE1-CE 3.25Å; E94-K98 IonicContact OE1-NZ 2.66Å; E94-K98 PolarHBondContact OE1-NZ 2.77Å; K98-I102 WeakPolarHBondContact O-CB 3.29Å; K98-I102 VanDerWaalsContact O-CD1 3.24Å; K98-I102 WeakPolarHBondContact O-CD1 3.33Å; K98-I102 WeakPolarHBondContact O-CG1 3.37Å; K98-I102 PolarHBondContact O-N 2.83Å; K98-I102 VanDerWaalsContact O-N 3.13Å |
| 99 | Q | 45.1 | Very low | 48.5 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -76.5 | -34.3 | 176.7 | -170.7 | 165 | 13.6 | 0 | 0 | 112.4 | K95 S96 T103 | K95-Q99 VanDerWaalsContact O-CB 3.24Å; K95-Q99 WeakPolarHBondContact O-CB 3.38Å; K95-Q99 PolarHBondContact O-N 3.47Å; S96-Q99 PolarHBondContact O-N 3.15Å; Q99-T103 WeakPolarHBondContact O-CB 3.33Å; Q99-T103 PolarHBondContact O-N 2.79Å; Q99-T103 PolarHBondContact O-OG1 3.34Å |
| 100 | T | 46.1 | Very low | 47.3 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -76.1 | -36.3 | 172.5 | 45.7 | 0 | 0 | 0 | 0 | 112 | S96 D97 I102 T103 F104 | S96-T100 PolarHBondContact O-N 3.44Å; S96-T100 PolarHBondContact O-OG1 3.27Å; D97-T100 WeakPolarHBondContact CA-OG1 3.34Å; D97-T100 PolarHBondContact O-OG1 2.84Å; T100-I102 PolarHBondContact O-N 3.18Å; T100-T103 PolarHBondContact O-N 3.04Å; T100-T103 VanDerWaalsContact O-N 3.13Å; T100-F104 WeakPolarHBondContact O-CD2 3.39Å; T100-F104 PolarHBondContact O-N 3.27Å |
| 101 | Q | 43.3 | Very low | 46.1 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.3 | -32.5 | 176.9 | -160.2 | 161.7 | 31.3 | 0 | 0 | 112.5 | D97 T103 | D97-Q101 WeakPolarHBondContact O-CB 3.38Å; D97-Q101 PolarHBondContact O-N 3.21Å; Q101-T103 VanDerWaalsContact C-N 3.31Å; Q101-T103 PolarHBondContact O-N 3.2Å |
| 102 | I | 44.2 | Very low | 45.1 | Very low | 132 Ų | 132 | 132 Ų | 132 | 68% | 0.677 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.9 | -19.8 | 172.3 | -65.1 | 166.3 | 0 | 0 | 0 | 112.4 | K98 T100 | K98-I102 WeakPolarHBondContact O-CB 3.29Å; K98-I102 VanDerWaalsContact O-CD1 3.24Å; K98-I102 WeakPolarHBondContact O-CD1 3.33Å; K98-I102 WeakPolarHBondContact O-CG1 3.37Å; K98-I102 PolarHBondContact O-N 2.83Å; K98-I102 VanDerWaalsContact O-N 3.13Å; T100-I102 PolarHBondContact O-N 3.18Å |
| 103 | T | 42.3 | Very low | 44.2 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 53% | 0.528 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -95.7 | -17.7 | -178.8 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | Q99 T100 Q101 | Q99-T103 WeakPolarHBondContact O-CB 3.33Å; Q99-T103 PolarHBondContact O-N 2.79Å; Q99-T103 PolarHBondContact O-OG1 3.34Å; T100-T103 PolarHBondContact O-N 3.04Å; T100-T103 VanDerWaalsContact O-N 3.13Å; Q101-T103 VanDerWaalsContact C-N 3.31Å; Q101-T103 PolarHBondContact O-N 3.2Å |
| 104 | F | 43.6 | Very low | 43.2 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 72% | 0.715 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -95.3 | -19.7 | 177.9 | -88.3 | -82.8 | 0 | 0 | 0 | 114.6 | T100 H106 | T100-F104 WeakPolarHBondContact O-CD2 3.39Å; T100-F104 PolarHBondContact O-N 3.27Å; F104-H106 VanDerWaalsContact C-N 3.28Å; F104-H106 PolarHBondContact O-N 3.08Å |
| 105 | D | 42.5 | Very low | 42.4 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 7 | 177.6 | -72.6 | -16.6 | 0 | 0 | 0 | 113.8 | ||
| 106 | H | 42.7 | Very low | 41.6 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.787 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 14.6 | -177.4 | -141 | -28.9 | 0 | 0 | 0 | 114.7 | F104 | F104-H106 VanDerWaalsContact C-N 3.28Å; F104-H106 PolarHBondContact O-N 3.08Å |
| 107 | L | 40.8 | Very low | 41 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -134.6 | 46.6 | -170.4 | -106.5 | 155.6 | 0 | 0 | 0 | 112.2 | ||
| 108 | D | 38.5 | Very low | 40.2 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -170.3 | 58.2 | 162.9 | -98.6 | -22.2 | 0 | 0 | 0 | 112.2 | ||||
| 109 | E | 40.6 | Very low | 39.3 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | trans | -134.9 | 86.1 | 162.8 | -77.1 | -167.3 | 167.1 | 0 | 0 | 110.3 | ||||
| 110 | K | 41.7 | Very low | 39 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -84.7 | 116.9 | 163.3 | -158.9 | 178.7 | -175.9 | -174.6 | 0 | 107.2 | ||||
| 111 | E | 34.2 | Very low | 38.6 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 64.1 | 99 | 161.2 | -65.2 | 165.8 | -156.2 | 0 | 0 | 116.5 | ||
| 112 | T | 36.2 | Very low | 38.4 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | -177.5 | 142.1 | 128.4 | 32.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 113 | S | 35.2 | Very low | 38.2 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 58.9 | 102.5 | 162.9 | 54.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 114 | S | 35 | Very low | 38 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 41.8 | 135.4 | 73.8 | 80.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 115 | L | 32.2 | Very low | 37.7 | Very low | 154 Ų | 154 | 149 Ų | 149 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | 79.9 | 87.2 | 174.1 | -82.2 | 133.6 | 0 | 0 | 0 | 118.1 | ||||
| 116 | N | 34.8 | Very low | 37.7 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | -171.6 | 82.8 | 115 | -90.3 | -24.4 | 0 | 0 | 0 | 110.2 | S118 | N116-S118 PolarHBondContact O-N 2.87Š| |||
| 117 | K | 39 | Very low | 37.7 | Very low | 210 Ų | 210 | 146.6 Ų | 146.6 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -78.7 | 105.4 | 166.1 | -91.4 | -178 | 176.8 | 178.8 | 0 | 109.1 | ||||
| 118 | S | 34.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 14.1 | 104.4 | 139.3 | -167.4 | 0 | 0 | 0 | 0 | 116.6 | N116 H120 | N116-S118 PolarHBondContact O-N 2.87Å; S118-H120 PolarHBondContact O-N 3.24Å | ||
| 119 | I | 33.7 | Very low | 37.8 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -69.1 | 117.3 | 156.1 | -61.9 | 167.8 | 0 | 0 | 0 | 106.6 | ||||
| 120 | H | 37.4 | Very low | 37.8 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 167 | 129.8 | 135 | -86.1 | -59.4 | 0 | 0 | 0 | 111.2 | S118 | S118-H120 PolarHBondContact O-N 3.24Š| ||
| 121 | S | 37.4 | Very low | 37.5 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 64.8 | 105.1 | 159 | 72.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 122 | L | 39.5 | Very low | 37.7 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | -170 | 142.8 | 96.4 | -124.5 | 87.7 | 0 | 0 | 0 | 110.9 | |||||
| 123 | D | 39.7 | Very low | 37.9 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -62.8 | 162.4 | -177.2 | -68.7 | -55.9 | 0 | 0 | 0 | 116 | ||||
| 124 | N | 38.6 | Very low | 38 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 91.2 | 95.5 | 145.8 | -62.7 | -31.7 | 0 | 0 | 0 | 119.8 | ||||
| 125 | N | 37.7 | Very low | 38.2 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | 70.4 | 130.9 | 119.6 | -72.4 | -13.2 | 0 | 0 | 0 | 121.4 | |||||
| 126 | S | 42.3 | Very low | 38.6 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 84.1 | 142.1 | 151.8 | 77.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 127 | H | 42 | Very low | 38.7 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | cis | 175 | 132.4 | -17.4 | -175.5 | 35.5 | 0 | 0 | 0 | 103.5 | ||||
| 128 | F | 40.2 | Very low | 38.7 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | trans | 65.5 | 151.3 | 161.3 | -75.9 | -46.8 | 0 | 0 | 0 | 118.4 | ||||
| 129 | D | 40.9 | Very low | 38.9 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | cis | -170.3 | 149.2 | -19 | -149.2 | -0.3 | 0 | 0 | 0 | 105.7 | ||||
| 130 | D | 41.4 | Very low | 39.1 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | 45.1 | 131.9 | 150.7 | -69.6 | -19.7 | 0 | 0 | 0 | 124.2 | ||||
| 131 | G | 35.9 | Very low | 39.3 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | trans | 161.6 | 98 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 132 | D | 37.9 | Very low | 39.5 | Very low | 169 Ų | 169 | 137 Ų | 137 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | trans | -51.9 | 161.9 | -176.5 | -103.7 | -30.3 | 0 | 0 | 0 | 119 | ||||
| 133 | P | 40 | Very low | 39.2 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -103 | 148.5 | 179 | 38.5 | -28.1 | 0 | 0 | 0 | 113.6 | ||||
| 134 | E | 37 | Very low | 39.3 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | -176 | 166.9 | 147.7 | -114.8 | -177.2 | -179.4 | 0 | 0 | 111.8 | ||||
| 135 | V | 40.1 | Very low | 39.5 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | trans | 94.2 | 127.3 | 160.7 | -169.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 136 | V | 39.4 | Very low | 39.3 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | cis | -174.9 | 153.4 | -4.4 | 129.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 137 | N | 37.2 | Very low | 39.2 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | trans | 13.3 | 142 | 151.4 | -47.5 | -28.4 | 0 | 0 | 0 | 121.5 | ||||
| 138 | D | 39.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | 169.9 | 128.2 | 91.4 | -102.9 | -32.4 | 0 | 0 | 0 | 113.9 | |||||
| 139 | K | 39.7 | Very low | 38.5 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | 56.3 | 136.2 | 129.7 | -81.1 | 175.4 | -178.4 | 170.1 | 0 | 124.9 | |||||
| 140 | Q | 38.5 | Very low | 38.1 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | trans | 78.8 | 142.2 | 135.4 | -74 | -178.5 | -62.5 | 0 | 0 | 117.1 | ||||
| 141 | D | 41.1 | Very low | 37.9 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | cis | -177.8 | 164.2 | 4.1 | -119.8 | -22.5 | 0 | 0 | 0 | 108.3 | ||||
| 142 | I | 40.3 | Very low | 37.6 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 76.1 | 100 | 151.8 | -58.2 | 150.9 | 0 | 0 | 0 | 117.1 | ||||
| 143 | E | 34.8 | Very low | 37.4 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | 76.7 | 115.2 | 79.8 | -172.6 | 174.1 | -158.9 | 0 | 0 | 114.9 | |||||
| 144 | A | 41.6 | Very low | 37.1 | Very low | 74 Ų | 74 | 144 Ų | 144 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | 159.2 | 118.6 | 127.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 145 | Q | 42.5 | Very low | 37 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 65.8 | 108.2 | 132.6 | -56.7 | 178.9 | 44.2 | 0 | 0 | 121.2 | ||||
| 146 | F | 33.5 | Very low | 36.7 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 89% | 0.886 | 75% | 0.752 | S | S | * | * | -176.4 | 141.9 | 93.2 | -121.6 | -95 | 0 | 0 | 0 | 111 | |||||
| 147 | K | 39.4 | Very low | 36.3 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -120 | 156.2 | -162.9 | -149.4 | -175.4 | -175.2 | 178.5 | 0 | 110.1 | ||||
| 148 | L | 34.4 | Very low | 36.2 | Very low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 77 | 139.2 | 159.1 | -107.2 | 69.1 | 0 | 0 | 0 | 117 | ||||
| 149 | A | 34.6 | Very low | 35.8 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | cis | -151.3 | 152 | 23.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 150 | K | 31.5 | Very low | 35.5 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -120.5 | 138.2 | -178.3 | 175.6 | -175.8 | -170.7 | 176.7 | 0 | 106.7 | ||||
| 151 | T | 36.6 | Very low | 35.1 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -157.4 | 116.7 | 149 | 44 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 152 | N | 29.9 | Very low | 34.8 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -75.5 | 159.1 | 164.8 | -67.5 | -14.2 | 0 | 0 | 0 | 110.8 | ||||
| 153 | S | 34.5 | Very low | 34.4 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -167 | 116.5 | 140.3 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 154 | D | 32.7 | Very low | 34.3 | Very low | 136 Ų | 136 | 149 Ų | 149 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -64.3 | 153.6 | 167.2 | -57.8 | -60.3 | 0 | 0 | 0 | 112.6 | ||||
| 155 | N | 35.6 | Very low | 33.9 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | 154.9 | 142.3 | 109.5 | -107.8 | -18.8 | 0 | 0 | 0 | 115.5 | |||||
| 156 | C | 33.4 | Very low | 33.3 | Very low | 103 Ų | 103 | 152.6 Ų | 152.6 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | 84.2 | 92.2 | 148 | -67.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 157 | Q | 31.4 | Very low | 33.3 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | 55.4 | 131.7 | 111.7 | -106.8 | 172.2 | -22.3 | 0 | 0 | 123.3 | |||||
| 158 | K | 34.8 | Very low | 33 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 73% | 0.726 | 77% | 0.773 | S | S | * | * | trans | 101.7 | 103.8 | 141.2 | -80.2 | 178.7 | 173.3 | 177.9 | 0 | 119.9 | ||||
| 159 | Q | 30.7 | Very low | 32.9 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | 58.3 | 107.2 | 117.7 | -96.2 | -177.9 | -16.7 | 0 | 0 | 119.2 | |||||
| 160 | N | 34.6 | Very low | 32.7 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | 164.3 | 128.2 | 102.3 | -81.7 | -17.4 | 0 | 0 | 0 | 111.8 | |||||
| 161 | D | 30.3 | Very low | 32.9 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 62 | 126.5 | 133.5 | -56.1 | -20.9 | 0 | 0 | 0 | 123.6 | ||||
| 162 | E | 34.8 | Very low | 32.6 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 85.8 | 114.9 | 142.4 | -71.3 | -174.1 | 153.6 | 0 | 0 | 122.3 | ||||
| 163 | Y | 30.1 | Very low | 32.7 | Very low | 221 Ų | 221 | 155.2 Ų | 155.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 43 | 111.5 | 141.8 | -71.5 | -89.2 | 0 | 0 | 0 | 119.7 | ||||
| 164 | S | 34.3 | Very low | 32.6 | Very low | 125 Ų | 125 | 154 Ų | 154 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | -161.2 | 138.1 | 127 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 165 | D | 32.5 | Very low | 32.6 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -73.6 | 153.4 | 177 | -112.4 | -25.6 | 0 | 0 | 0 | 112.8 | ||||
| 166 | F | 29.3 | Very low | 32.5 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 59.7 | 118.8 | 151 | -82.9 | -90.8 | 0 | 0 | 0 | 122.2 | ||||
| 167 | N | 34.3 | Very low | 32.2 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | -178.7 | 120.3 | 125.4 | -104.9 | -6.3 | 0 | 0 | 0 | 109.1 | |||||
| 168 | M | 32.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 61% | 0.606 | 77% | 0.768 | S | S | * | * | 115 | 125.8 | 76.7 | -92.8 | -88.4 | -77.3 | 0 | 0 | 108.8 | |||||
| 169 | R | 32.8 | Very low | 32.2 | Very low | 250 Ų | 250 | 150.7 Ų | 150.7 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | trans | -158.5 | 118.4 | 140.7 | -112.9 | 173.6 | -165.1 | -171.4 | 3.3 | 111.3 | ||||
| 170 | N | 30.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | trans | -77 | 160.3 | 177.8 | -64.7 | -29.6 | 0 | 0 | 0 | 112.7 | ||||
| 171 | E | 35.1 | Very low | 32.1 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -164.7 | 96.3 | 141.3 | -106.4 | 177.9 | -180 | 0 | 0 | 105.4 | ||||
| 172 | E | 31.7 | Very low | 32.2 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 79.7 | 138 | 62.3 | -127.5 | -173.9 | -147.4 | 0 | 0 | 115.7 | |||||
| 173 | L | 32 | Very low | 32.1 | Very low | 151 Ų | 151 | 152 Ų | 152 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 79.2 | 139.4 | 171.1 | -84.6 | 79.8 | 0 | 0 | 0 | 118.8 | ||||
| 174 | S | 31.1 | Very low | 32.1 | Very low | 95 Ų | 95 | 147.2 Ų | 147.2 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | cis | 177.8 | 164.3 | 1.6 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 175 | V | 34.1 | Very low | 32.1 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 85.4 | 94.8 | 162.3 | -158.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 176 | H | 31.6 | Very low | 32.2 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | cis | 82.3 | 112.5 | 46.6 | -131.2 | -16 | 0 | 0 | 0 | 115.6 | ||||
| 177 | N | 28.7 | Very low | 32.1 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 64.8 | 120.9 | 145.3 | -74 | -3.3 | 0 | 0 | 0 | 123.1 | ||||
| 178 | T | 34.5 | Very low | 32.1 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | -173.7 | 92.8 | 121.9 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 179 | S | 31.1 | Very low | 32 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 61.3 | 103 | 80.4 | 175.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 180 | K | 30.4 | Very low | 31.9 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | 70.7 | 157.5 | 131.4 | -75 | -176.4 | 172.8 | -177.7 | 0 | 122.2 | ||||
| 181 | I | 32.6 | Very low | 31.8 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | 108.2 | 119.1 | 169.8 | -57.4 | 158.3 | 0 | 0 | 0 | 109.9 | ||||
| 182 | A | 32.8 | Very low | 31.8 | Very low | 80 Ų | 80 | 142.1 Ų | 142.1 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | cis | -166.5 | 137.2 | 2.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 183 | E | 32.5 | Very low | 31.7 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | 42 | 136.3 | 94.6 | -72.9 | -171.9 | 177.9 | 0 | 0 | 114.2 | |||||
| 184 | T | 29.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | cis | -175.7 | 155.3 | 14.7 | 19.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 185 | M | 35.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 89% | 0.892 | 77% | 0.77 | S | S | * | * | trans | 148.6 | 132.9 | 145.2 | -85.2 | -168.5 | 170.1 | 0 | 0 | 109.8 | ||||
| 186 | K | 34 | Very low | 31.2 | Very low | 197 Ų | 197 | 145 Ų | 145 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | cis | -171.5 | 132.5 | -24.2 | -144 | 176.6 | -175.9 | -177.4 | 0 | 103.8 | ||||
| 187 | S | 27.1 | Very low | 31 | Very low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | -81.7 | 153 | 169.3 | 60.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | T | 35.2 | Very low | 31 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -151.7 | 102.4 | 148.9 | 44 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 189 | D | 29.5 | Very low | 31 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | 62.3 | 133.2 | 75 | -74.8 | -34 | 0 | 0 | 0 | 114.1 | |||||
| 190 | E | 31.1 | Very low | 31 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 145.3 | 148.9 | -72.5 | 169.9 | -170.8 | 0 | 0 | 116.2 | ||||
| 191 | L | 28.2 | Very low | 31.3 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | cis | 170.8 | 161.3 | 3.1 | -176 | 85.2 | 0 | 0 | 0 | 103.3 | ||||
| 192 | N | 35.4 | Very low | 31.3 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | 92.9 | 112.7 | 170 | -52.7 | -31.8 | 0 | 0 | 0 | 115.7 | ||||
| 193 | I | 29.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | 61.8 | 129.8 | 54.9 | -50.9 | 175.8 | 0 | 0 | 0 | 112.2 | |||||
| 194 | C | 28.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | 97.1 | 103.3 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 195 | K | 30.1 | Very low | 31.4 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 85.3 | 126.4 | 78.6 | -98.8 | -167.4 | 179 | -172.6 | 0 | 113.3 | |||||
| 196 | E | 28.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 101.1 | 107.6 | 133.3 | -137.3 | 153.6 | -174.1 | 0 | 0 | 120.8 | ||||
| 197 | N | 27.9 | Very low | 31.4 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | 71.4 | 131.8 | 127.9 | -69.3 | -12 | 0 | 0 | 0 | 124.5 | |||||
| 198 | Q | 28.9 | Very low | 31.6 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | 71.3 | 120 | 137.5 | -77 | 177.7 | 15.8 | 0 | 0 | 119.1 | ||||
| 199 | F | 34 | Very low | 31.6 | Very low | 216 Ų | 216 | 138.9 Ų | 138.9 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | -153.5 | 112 | 120.5 | -105.9 | -76.7 | 0 | 0 | 0 | 110.6 | |||||
| 200 | N | 30 | Very low | 31.7 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -88.5 | 146.7 | 163.6 | -96.8 | -14.9 | 0 | 0 | 0 | 109.4 | ||||
| 201 | S | 37.7 | Very low | 31.9 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 153.7 | 121.3 | 155.4 | 171.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 202 | G | 31.2 | Very low | 32.2 | Very low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | cis | 134.9 | 131.4 | 24.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 203 | I | 33.3 | Very low | 32.2 | Very low | 176 Ų | 176 | 134 Ų | 134 | 90% | 0.903 | 76% | 0.759 | S | S | * | * | trans | 176.3 | 138.9 | 143.1 | -88.9 | 155.3 | 0 | 0 | 0 | 110.5 | ||||
| 204 | T | 30 | Very low | 32.8 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -109 | 169.7 | -156.8 | -53 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 205 | I | 34.6 | Very low | 33.4 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | 156.4 | 97.7 | 134.4 | -74.5 | 154.6 | 0 | 0 | 0 | 108.7 | ||||
| 206 | A | 32.7 | Very low | 33.8 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | 64.7 | 126.9 | 100.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 207 | S | 36.5 | Very low | 34.2 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | -170.5 | 134.7 | 66.5 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 208 | N | 32.1 | Very low | 34.5 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | 38.6 | 136 | 132.7 | -41.6 | -14.7 | 0 | 0 | 0 | 119.7 | ||||
| 209 | T | 35.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | -173.6 | 131.5 | 57.9 | 28.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 210 | T | 31.6 | Very low | 34.5 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | 48.1 | 138.5 | 127.1 | 12.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 211 | T | 33.8 | Very low | 34.5 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | cis | -173 | 147.6 | 23.7 | -25 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 212 | S | 34.6 | Very low | 34 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | 63.6 | 139 | 126.6 | 162.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 213 | N | 36.8 | Very low | 33.9 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -176.5 | 168.4 | 3.7 | -101.1 | -7.3 | 0 | 0 | 0 | 109.3 | ||||
| 214 | N | 41.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | 97.6 | 102.8 | 152.4 | -60.9 | -22.1 | 0 | 0 | 0 | 117.2 | ||||
| 215 | N | 39.9 | Very low | 33.7 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | 92.8 | 128.3 | 84.1 | -73.2 | 2.5 | 0 | 0 | 0 | 108.4 | |||||
| 216 | D | 39.6 | Very low | 33.6 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 73% | 0.726 | S | S | * | * | cis | -160.4 | 134.9 | 27.2 | -87.7 | -36.3 | 0 | 0 | 0 | 107 | ||||
| 217 | I | 35.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 128 Ų | 128 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | 61.6 | 111.1 | 99 | -57.6 | 174.5 | 0 | 0 | 0 | 110.8 | |||||
| 218 | D | 35.7 | Very low | 33.6 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | -172.8 | 139.9 | 60.2 | -118.7 | -21.4 | 0 | 0 | 0 | 112 | |||||
| 219 | T | 31.1 | Very low | 33.5 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 36.8 | 135.4 | 136.7 | 52.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 220 | I | 30.2 | Very low | 33.4 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | -172.5 | 141.4 | 33.9 | -105.2 | 152 | 0 | 0 | 0 | 108.4 | ||||
| 221 | E | 30.7 | Very low | 33.4 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | 49.8 | 101.2 | 150.2 | -62.8 | 177 | 160.3 | 0 | 0 | 121.7 | ||||
| 222 | L | 26.8 | Very low | 33.5 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 97% | 0.969 | 75% | 0.753 | S | S | * | * | trans | -79 | 118.5 | 145.9 | -86.9 | 90.3 | 0 | 0 | 0 | 109.4 | ||||
| 223 | S | 29.4 | Very low | 33.5 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -146.5 | 133.8 | 153.5 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 224 | N | 30.9 | Very low | 33.3 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 81.7 | 92.6 | 152.8 | -59.2 | -14.7 | 0 | 0 | 0 | 119.5 | ||||
| 225 | S | 29.1 | Very low | 33 | Very low | 108 Ų | 108 | 153.1 Ų | 153.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -7 | 117.3 | 134.6 | 54.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 226 | N | 31.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -115.9 | 111.6 | 158.3 | -78.7 | -37.3 | 0 | 0 | 0 | 108.9 | ||||
| 227 | P | 35.2 | Very low | 32.5 | Very low | 116 Ų | 116 | 157.2 Ų | 157.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -91.5 | 115.3 | 152.3 | 30.5 | -21.4 | 0 | 0 | 0 | 108.4 | E229 | P227-E229 PolarHBondContact O-N 2.97Š| ||
| 228 | I | 34.5 | Very low | 32.2 | Very low | 156 Ų | 156 | 156.2 Ų | 156.2 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -60.7 | 117.1 | 175.6 | -69.4 | 167.7 | 0 | 0 | 0 | 109.1 | L230 | I228-L230 PolarHBondContact O-N 2.72Š| ||
| 229 | E | 28.9 | Very low | 32.3 | Very low | 183 Ų | 183 | 159.6 Ų | 159.6 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -58.5 | 122 | 169.1 | -73.3 | -179.5 | 134.1 | 0 | 0 | 110.6 | P227 | P227-E229 PolarHBondContact O-N 2.97Š| ||
| 230 | L | 33.9 | Very low | 32.3 | Very low | 160 Ų | 160 | 165.2 Ų | 165.2 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -119.8 | 109.5 | 159.8 | -137.8 | 98.8 | 0 | 0 | 0 | 110.1 | I228 Q232 | I228-L230 PolarHBondContact O-N 2.72Å; L230-Q232 PolarHBondContact O-N 3.3Å | ||
| 231 | N | 31 | Very low | 32.2 | Very low | 162 Ų | 162 | 166 Ų | 166 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -36 | 106.7 | 176.1 | -76.4 | -62.3 | 0 | 0 | 0 | 115.3 | ||||
| 232 | Q | 36.8 | Very low | 32.2 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -93.7 | 110.6 | 155.7 | -76 | -169 | 2.1 | 0 | 0 | 110.3 | L230 K234 | L230-Q232 PolarHBondContact O-N 3.3Å; Q232-K234 PolarHBondContact O-N 3.19Å | ||
| 233 | K | 35.1 | Very low | 32.3 | Very low | 204 Ų | 204 | 159.1 Ų | 159.1 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -65 | 92.4 | 178.2 | -160.3 | 170.3 | -172.5 | 171.8 | 0 | 110 | R235 | K233-R235 PolarHBondContact O-N 3.41Š| ||
| 234 | K | 31.7 | Very low | 32.3 | Very low | 194 Ų | 194 | 162 Ų | 162 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -54.3 | 113.6 | 165.8 | -81.9 | 176.7 | 175.8 | 173.2 | 0 | 109.9 | Q232 | Q232-K234 PolarHBondContact O-N 3.19Š| ||
| 235 | R | 35 | Very low | 32.3 | Very low | 236 Ų | 236 | 159 Ų | 159 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -109.1 | 87.5 | 159.1 | -111.1 | -177.2 | 167.2 | 177.3 | -2.5 | 108.5 | K233 K237 | K233-R235 PolarHBondContact O-N 3.41Å; R235-K237 PolarHBondContact O-N 2.91Å | ||
| 236 | T | 30.6 | Very low | 32.4 | Very low | 130 Ų | 130 | 160.6 Ų | 160.6 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | trans | -64.7 | 118.4 | 163.1 | 22.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 237 | K | 39.3 | Very low | 32.2 | Very low | 208 Ų | 208 | 160.1 Ų | 160.1 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -112.5 | 97.5 | 154.3 | -84.1 | -170.6 | 176.8 | -178.2 | 0 | 108.1 | R235 | R235-K237 PolarHBondContact O-N 2.91Š| ||
| 238 | S | 28.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 159.3 Ų | 159.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -61.5 | 129.9 | 163.9 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 239 | K | 37.9 | Very low | 31.4 | Very low | 204 Ų | 204 | 159.4 Ų | 159.4 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -147.2 | 108 | 151.3 | -140.3 | 175.8 | -175.8 | -176.5 | 0 | 110.3 | ||||
| 240 | R | 30.8 | Very low | 31.4 | Very low | 225 Ų | 225 | 157.5 Ų | 157.5 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | 0.9 | 116.4 | 163.2 | -79.3 | 178.3 | 175.3 | -178.6 | -2.4 | 118.3 | ||||
| 241 | I | 28.7 | Very low | 31.1 | Very low | 157 Ų | 157 | 156.6 Ų | 156.6 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | 29.6 | 107.6 | 112.9 | -48.8 | 169.8 | 0 | 0 | 0 | 115.7 | |||||
| 242 | A | 30.5 | Very low | 30.9 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | -148.4 | 103.9 | 128.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 243 | S | 28 | Very low | 30.5 | Very low | 108 Ų | 108 | 153.6 Ų | 153.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 133 | 168.2 | 43.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 244 | N | 30.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -149.1 | 125.5 | 131.7 | -147.9 | 0.9 | 0 | 0 | 0 | 111.4 | ||||
| 245 | S | 29.6 | Very low | 30 | Very low | 79 Ų | 79 | 145 Ų | 145 | 55% | 0.552 | 77% | 0.773 | S | S | * | * | trans | -67.9 | 156.4 | 171.8 | 47 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 246 | N | 32 | Very low | 29.9 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | -178.6 | 105 | 118.3 | -79.2 | -19.1 | 0 | 0 | 0 | 109.3 | |||||
| 247 | N | 27.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | 15 | 149.2 | 120.1 | -61.2 | -6.8 | 0 | 0 | 0 | 116.1 | |||||
| 248 | S | 28.9 | Very low | 29.4 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | 174.5 | 130.9 | 9 | 38.1 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 249 | L | 24.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | 46.6 | 106.2 | 104.4 | -120.6 | 159.1 | 0 | 0 | 0 | 115.1 | |||||
| 250 | L | 28.7 | Very low | 29.6 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 145.8 | 107.3 | 145.8 | -98.2 | 101.8 | 0 | 0 | 0 | 109.2 | ||||
| 251 | L | 26.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | 61.6 | 96.6 | 80.6 | -157.9 | 90.8 | 0 | 0 | 0 | 112.1 | |||||
| 252 | N | 27.3 | Very low | 29.8 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | 171.6 | 139.9 | 124.3 | -85.9 | -25.1 | 0 | 0 | 0 | 112.1 | |||||
| 253 | Q | 28.2 | Very low | 29.8 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 55.6 | 131 | 148.4 | -99 | 53.4 | 49.6 | 0 | 0 | 117.7 | ||||
| 254 | S | 28 | Very low | 29.9 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | cis | 169 | 158.1 | 5.2 | 40.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 255 | V | 28.8 | Very low | 30.3 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | 79.9 | 104.2 | 165.9 | -159.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 256 | I | 31.7 | Very low | 30.5 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 176 | 115.7 | 125.3 | -81.3 | 149.5 | 0 | 0 | 0 | 108.3 | |||||
| 257 | D | 30.4 | Very low | 30.8 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 66.9 | 101.1 | 154.8 | -60 | -18.9 | 0 | 0 | 0 | 123.1 | N259 | D257-N259 PolarHBondContact O-N 3.23Š| ||
| 258 | R | 30.2 | Very low | 31.3 | Very low | 250 Ų | 250 | 145.2 Ų | 145.2 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 42.3 | 170.7 | -79.1 | -178.8 | 169.4 | 142.3 | -2.5 | 116.3 | ||
| 259 | N | 34 | Very low | 31.7 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | 12.1 | -179.2 | -81.1 | -27.1 | 0 | 0 | 0 | 116.6 | D257 | D257-N259 PolarHBondContact O-N 3.23Š|
| 260 | Q | 35.9 | Very low | 32.3 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -130.4 | 45 | -179.6 | -64.5 | -145.9 | 72.4 | 0 | 0 | 114.5 | T262 | Q260-T262 PolarHBondContact O-N 2.72Š| ||
| 261 | L | 29.4 | Very low | 32.7 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 97% | 0.969 | 76% | 0.759 | S | S | * | * | trans | -79.1 | 72.1 | 169.6 | -139.8 | 90.8 | 0 | 0 | 0 | 109.8 | ||||
| 262 | T | 34.5 | Very low | 33.4 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | trans | -110.2 | 122.6 | 160.9 | 49 | 0 | 0 | 0 | 0 | 107.2 | Q260 T264 | Q260-T262 PolarHBondContact O-N 2.72Å; T262-T264 VanDerWaalsContact C-N 3.34Å; T262-T264 PolarHBondContact O-N 2.89Å | ||
| 263 | D | 30.1 | Very low | 34.4 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -41.5 | 86.2 | 176.3 | -74.1 | -35.7 | 0 | 0 | 0 | 113.2 | L265 | D263-L265 VanDerWaalsContact C-N 3.33Å; D263-L265 PolarHBondContact O-N 3.46Å | ||
| 264 | T | 30.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | -90.2 | 80.1 | 152.3 | 35.3 | 0 | 0 | 0 | 0 | 106.7 | T262 D266 | T262-T264 VanDerWaalsContact C-N 3.34Å; T262-T264 PolarHBondContact O-N 2.89Å; T264-D266 PolarHBondContact O-N 3.28Å | ||
| 265 | L | 38.3 | Very low | 35.9 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -63.8 | 122.2 | 157.2 | -88.9 | 157.2 | 0 | 0 | 0 | 106.9 | D263 D267 | D263-L265 VanDerWaalsContact C-N 3.33Å; D263-L265 PolarHBondContact O-N 3.46Å; L265-D267 PolarHBondContact O-N 3.1Å | ||
| 266 | D | 34.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -51.4 | 96.9 | 175.3 | -92.2 | -45.6 | 0 | 0 | 0 | 111.5 | T264 N268 | T264-D266 PolarHBondContact O-N 3.28Å; D266-N268 PolarHBondContact O-N 3.39Å | ||
| 267 | D | 39 | Very low | 37.1 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 12 | 170.8 | -85.2 | -18.7 | 0 | 0 | 0 | 112.5 | L265 | L265-D267 PolarHBondContact O-N 3.1Š|
| 268 | N | 37.9 | Very low | 37.6 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 17.6 | -174.2 | -79 | -28.7 | 0 | 0 | 0 | 115.1 | D266 | D266-N268 PolarHBondContact O-N 3.39Š|
| 269 | L | 36.2 | Very low | 38.2 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -122.6 | 48.9 | 173 | -152.1 | 79.8 | 0 | 0 | 0 | 112.2 | ||||
| 270 | M | 36.9 | Very low | 38.6 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 67% | 0.665 | 72% | 0.719 | S | S | * | * | trans | -90.9 | 109.1 | 163.3 | -91.2 | -66.6 | -156.4 | 0 | 0 | 109.1 | E274 | M270-E274 WeakPolarHBondContact CE-OE2 3.36Š| ||
| 271 | N | 38.4 | Very low | 38.8 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | -57.3 | 133.8 | -178.7 | -71.1 | -29.1 | 0 | 0 | 0 | 111.2 | E273 E274 | N271-E273 PolarHBondContact O-N 3.44Å; N271-E274 PolarHBondContact O-N 3.29Å | ||
| 272 | N | 41.5 | Very low | 39.2 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -3.5 | 179.4 | -77.3 | -37.1 | 0 | 0 | 0 | 115.5 | ||
| 273 | E | 47.5 | Very low | 39.4 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -26.8 | 177 | -67.7 | 179.3 | 167.2 | 0 | 0 | 112.6 | N271 Y275 A276 | N271-E273 PolarHBondContact O-N 3.44Å; E273-Y275 VanDerWaalsContact C-N 3.3Å; E273-Y275 PolarHBondContact O-N 3.33Å; E273-A276 PolarHBondContact O-N 2.83Å |
| 274 | E | 45.1 | Very low | 39.8 | Very low | 114 Ų | 114 | 140 Ų | 140 | 53% | 0.533 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -80 | -11.1 | -178.6 | -153.6 | 172.6 | -172.7 | 0 | 0 | 113.1 | M270 N271 | M270-E274 WeakPolarHBondContact CE-OE2 3.36Å; N271-E274 PolarHBondContact O-N 3.29Å |
| 275 | Y | 43.3 | Very low | 39.9 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -81 | -15.5 | 172.8 | -96.4 | -87.2 | 0 | 0 | 0 | 113.8 | E273 | E273-Y275 VanDerWaalsContact C-N 3.3Å; E273-Y275 PolarHBondContact O-N 3.33Å |
| 276 | A | 42.7 | Very low | 39.3 | Very low | 59 Ų | 59 | 136.3 Ų | 136.3 | 49% | 0.488 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -78.6 | -44 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | E273 L278 R279 E280 | E273-A276 PolarHBondContact O-N 2.83Å; A276-L278 VanDerWaalsContact C-N 3.33Å; A276-L278 PolarHBondContact O-N 3.02Å; A276-R279 PolarHBondContact O-N 3.3Å; A276-R279 VanDerWaalsContact O-N 3.14Å; A276-E280 PolarHBondContact O-N 2.87Å |
| 277 | D | 41.8 | Very low | 39.1 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.3 | -33.4 | -179.5 | -86.9 | -3.1 | 0 | 0 | 0 | 112.9 | R279 E280 E281 | D277-R279 VanDerWaalsContact C-N 3.27Å; D277-R279 PolarHBondContact O-N 2.86Å; D277-E280 PolarHBondContact O-N 3.47Å; D277-E281 PolarHBondContact O-N 3.34Å |
| 278 | L | 41.9 | Very low | 38.6 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 60% | 0.602 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.4 | -18.8 | 177.3 | -77.8 | 159.1 | 0 | 0 | 0 | 113.5 | A276 T282 | A276-L278 VanDerWaalsContact C-N 3.33Å; A276-L278 PolarHBondContact O-N 3.02Å; L278-T282 PolarHBondContact O-OG1 3.41Å |
| 279 | R | 42.3 | Very low | 38.3 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 76% | 0.762 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -94.2 | -13.5 | -179.5 | -130 | -178.4 | -175.1 | -134.9 | 1.9 | 113.2 | A276 D277 T282 | A276-R279 PolarHBondContact O-N 3.3Å; A276-R279 VanDerWaalsContact O-N 3.14Å; D277-R279 VanDerWaalsContact C-N 3.27Å; D277-R279 PolarHBondContact O-N 2.86Å; R279-T282 PolarHBondContact O-OG1 2.83Å |
| 280 | E | 43.3 | Very low | 37.9 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -90.6 | -35.7 | 176.2 | -131.7 | 162.7 | -160.6 | 0 | 0 | 111.7 | A276 D277 T282 K283 | A276-E280 PolarHBondContact O-N 2.87Å; D277-E280 PolarHBondContact O-N 3.47Å; E280-T282 VanDerWaalsContact C-N 3.35Å; E280-T282 PolarHBondContact O-N 2.91Å; E280-K283 PolarHBondContact O-N 2.94Å |
| 281 | E | 39.2 | Very low | 37.6 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 57% | 0.57 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -74.4 | -18.8 | 177.7 | -121.1 | -178.5 | -176.3 | 0 | 0 | 114.2 | D277 K283 E284 | D277-E281 PolarHBondContact O-N 3.34Å; E281-K283 PolarHBondContact O-N 2.87Å; E281-E284 PolarHBondContact O-N 3.41Å |
| 282 | T | 38.2 | Very low | 37 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 66% | 0.656 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -76 | -4.2 | 177.4 | 39.9 | 0 | 0 | 0 | 0 | 113.9 | L278 R279 E280 | L278-T282 PolarHBondContact O-OG1 3.41Å; R279-T282 PolarHBondContact O-OG1 2.83Å; E280-T282 VanDerWaalsContact C-N 3.35Å; E280-T282 PolarHBondContact O-N 2.91Å |
| 283 | K | 39.4 | Very low | 36.5 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -95.9 | -12 | 175.3 | -74.5 | 179.5 | 179.6 | 173.7 | 0 | 114.4 | E280 E281 | E280-K283 PolarHBondContact O-N 2.94Å; E281-K283 PolarHBondContact O-N 2.87Å |
| 284 | E | 37.4 | Very low | 35.4 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -10.2 | -176.7 | -75.7 | -170.3 | 154.2 | 0 | 0 | 114.4 | E281 G286 | E281-E284 PolarHBondContact O-N 3.41Å; E284-G286 PolarHBondContact O-N 3.41Å |
| 285 | I | 33.5 | Very low | 34.6 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | -104.2 | 77.1 | 177.7 | -42 | 179.5 | 0 | 0 | 0 | 109.8 | V287 | I285-V287 HydrophobicContact CB-CG2 4.48Å; I285-V287 HydrophobicContact CG2-CG2 3.36Å; I285-V287 PolarHBondContact O-N 2.85Å | ||
| 286 | G | 25.8 | Very low | 33.8 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | -67.9 | 74.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | E284 N288 | E284-G286 PolarHBondContact O-N 3.41Å; G286-N288 PolarHBondContact O-N 3.4Å | ||
| 287 | V | 30.6 | Very low | 33.1 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 62% | 0.624 | 72% | 0.72 | S | S | * | * | trans | -75.4 | 106.9 | 170 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | I285 V289 | I285-V287 HydrophobicContact CB-CG2 4.48Å; I285-V287 HydrophobicContact CG2-CG2 3.36Å; I285-V287 PolarHBondContact O-N 2.85Å; V287-V289 VanDerWaalsContact C-N 3.32Å; V287-V289 PolarHBondContact O-N 3.49Å | ||
| 288 | N | 27.8 | Very low | 32.5 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -59.4 | 97.1 | 164.1 | -84.6 | -14.2 | 0 | 0 | 0 | 108.6 | G286 I290 | G286-N288 PolarHBondContact O-N 3.4Å; N288-I290 VanDerWaalsContact C-N 3.34Å; N288-I290 PolarHBondContact O-N 3.37Å | ||
| 289 | V | 30.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -67.9 | 97.3 | 165.8 | 178.9 | 0 | 0 | 0 | 0 | 106.5 | V287 K291 | V287-V289 VanDerWaalsContact C-N 3.32Å; V287-V289 PolarHBondContact O-N 3.49Å; V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 HydrophobicContact CG1-CG 4.32Å; V289-K291 PolarHBondContact O-N 2.89Å | ||
| 290 | I | 29.2 | Very low | 31.2 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -62.9 | 97.1 | 164.4 | -60.9 | 174.9 | 0 | 0 | 0 | 105.9 | N288 N292 | N288-I290 VanDerWaalsContact C-N 3.34Å; N288-I290 PolarHBondContact O-N 3.37Å; I290-N292 PolarHBondContact O-N 3.4Å; I290-N292 VanDerWaalsContact O-N 3.08Å | ||
| 291 | K | 30.8 | Very low | 30.4 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | trans | -68.8 | 98.9 | 167.5 | -76.1 | -177.8 | 177.3 | 179.8 | 0 | 107.2 | V289 S293 | V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 HydrophobicContact CG1-CG 4.32Å; V289-K291 PolarHBondContact O-N 2.89Å; K291-S293 PolarHBondContact O-N 3.37Å | ||
| 292 | N | 25.9 | Very low | 30 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -71.5 | 79 | 160.2 | -78.9 | -0.4 | 0 | 0 | 0 | 108.4 | I290 H294 | I290-N292 PolarHBondContact O-N 3.4Å; I290-N292 VanDerWaalsContact O-N 3.08Å; N292-H294 PolarHBondContact O-N 2.79Å | ||
| 293 | S | 29.6 | Very low | 29.4 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -80.5 | 94.3 | 161.9 | 50.9 | 0 | 0 | 0 | 0 | 108 | K291 T295 | K291-S293 PolarHBondContact O-N 3.37Å; S293-T295 VanDerWaalsContact C-N 3.29Å; S293-T295 PolarHBondContact O-N 3.46Å | ||
| 294 | H | 25.9 | Very low | 29.2 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -67.2 | 91.9 | 161.6 | -87 | -78.4 | 0 | 0 | 0 | 108.4 | N292 | N292-H294 PolarHBondContact O-N 2.79Š| ||
| 295 | T | 27.7 | Very low | 28.7 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -97.1 | 107 | 163 | -40.8 | 0 | 0 | 0 | 0 | 107.2 | S293 Q297 | S293-T295 VanDerWaalsContact C-N 3.29Å; S293-T295 PolarHBondContact O-N 3.46Å; T295-Q297 PolarHBondContact O-N 3.49Å; T295-Q297 VanDerWaalsContact O-N 3.08Å | ||
| 296 | V | 25.6 | Very low | 28.8 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -60.1 | 105.4 | 167.5 | 177 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 297 | Q | 29.3 | Very low | 28.9 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -126.9 | 112.6 | 163.1 | -100.9 | -172.3 | 1.7 | 0 | 0 | 110.2 | T295 | T295-Q297 PolarHBondContact O-N 3.49Å; T295-Q297 VanDerWaalsContact O-N 3.08Å | ||
| 298 | S | 28.2 | Very low | 29.2 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -40.9 | 130.5 | 169.3 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | N300 | S298-N300 PolarHBondContact O-N 3.38Š| ||
| 299 | S | 25.5 | Very low | 29.3 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -40.6 | 124.6 | 161.7 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 300 | N | 30.6 | Very low | 29.4 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -152.9 | 126.8 | 141 | -96.7 | -26.4 | 0 | 0 | 0 | 111.2 | S298 | S298-N300 PolarHBondContact O-N 3.38Š| ||
| 301 | K | 27.5 | Very low | 29.6 | Very low | 207 Ų | 207 | 147 Ų | 147 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | trans | -50.9 | 137 | 176 | -74.8 | 163.6 | 167.3 | 169.8 | 0 | 112.8 | ||||
| 302 | S | 30.6 | Very low | 29.8 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -171.5 | 123.2 | 129.6 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 303 | N | 26.8 | Very low | 30.1 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -48.4 | 130.4 | 164.7 | -76.2 | -36.9 | 0 | 0 | 0 | 112.8 | ||||
| 304 | I | 33.6 | Very low | 30.2 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | trans | -142.1 | 122.5 | 142.4 | -60.5 | -174.6 | 0 | 0 | 0 | 108.9 | I306 | I304-I306 HydrophobicContact CG2-CG1 4.24Š| ||
| 305 | N | 27.8 | Very low | 30.4 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -101 | 128 | -179.4 | -163 | 11.9 | 0 | 0 | 0 | 107.1 | ||||
| 306 | I | 34.7 | Very low | 30.7 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -135.2 | 106.8 | 165.3 | -59.1 | -178.1 | 0 | 0 | 0 | 108.5 | I304 | I304-I306 HydrophobicContact CG2-CG1 4.24Š| ||
| 307 | R | 29 | Very low | 30.8 | Very low | 208 Ų | 208 | 150 Ų | 150 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -67.9 | 157.5 | 166.7 | -78.8 | 173.6 | 168.5 | 164.3 | -5 | 111 | ||||
| 308 | N | 35.5 | Very low | 30.8 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | -173.3 | 105.7 | 123 | -84.7 | -5.9 | 0 | 0 | 0 | 107.3 | |||||
| 309 | E | 31.4 | Very low | 30.8 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | 83.9 | 101.6 | 97 | -81.2 | -179.7 | 164.3 | 0 | 0 | 111.5 | |||||
| 310 | V | 31.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | 83.3 | 117.4 | 72.4 | 172.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 311 | D | 32.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 154.6 | 140 | 144.9 | -83.5 | -7 | 0 | 0 | 0 | 109 | ||||
| 312 | H | 35.7 | Very low | 30.9 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | -167.8 | 136.5 | -27.1 | -108 | -50.8 | 0 | 0 | 0 | 104.7 | ||||
| 313 | N | 31.4 | Very low | 30.7 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 37.9 | 124.1 | 148.6 | -64.9 | -15.8 | 0 | 0 | 0 | 120.6 | ||||
| 314 | F | 32 | Very low | 30.7 | Very low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | -167 | 111.1 | 110 | -109 | -78.2 | 0 | 0 | 0 | 109.7 | |||||
| 315 | D | 30.6 | Very low | 30.5 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -109.3 | 125.3 | 169.2 | -157.1 | 3 | 0 | 0 | 0 | 106.3 | ||||
| 316 | Q | 34 | Very low | 30.4 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | -155.7 | 97.4 | 162.1 | -121.1 | 173.3 | 19.4 | 0 | 0 | 110.8 | ||||
| 317 | S | 27.3 | Very low | 30.3 | Very low | 87 Ų | 87 | 150.4 Ų | 150.4 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | trans | -10.4 | 155.9 | 145.6 | 61.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 318 | T | 29.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 77.6 | 115.6 | 154.1 | 53.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 319 | H | 28.6 | Very low | 30.1 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | 139.2 | 110.7 | 107.9 | -154.9 | -102.4 | 0 | 0 | 0 | 112.7 | |||||
| 320 | L | 27.4 | Very low | 30.2 | Very low | 126 Ų | 126 | 149 Ų | 149 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | 61.8 | 127.5 | 145.3 | -89 | 78.1 | 0 | 0 | 0 | 122.1 | ||||
| 321 | S | 26.2 | Very low | 30 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 116 | 130.1 | -54.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 322 | I | 32.2 | Very low | 29.7 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | -170 | 126.3 | 109.8 | -87 | 146.2 | 0 | 0 | 0 | 108.5 | |||||
| 323 | E | 25.7 | Very low | 29.5 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | trans | -78 | 150.3 | 175.4 | 159.1 | 180 | -174.9 | 0 | 0 | 110.7 | ||||
| 324 | N | 26.6 | Very low | 29.5 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | 69.8 | 113 | 164.5 | -61.8 | -27 | 0 | 0 | 0 | 118.6 | ||||
| 325 | Q | 29.8 | Very low | 29.4 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | 172 | 133.9 | 91.6 | -82.2 | -168.3 | -0.3 | 0 | 0 | 112.3 | |||||
| 326 | H | 26.5 | Very low | 29.3 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -25 | 133.9 | 167.7 | -76.7 | -100.9 | 0 | 0 | 0 | 118.5 | ||||
| 327 | H | 31.8 | Very low | 29 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 88% | 0.884 | 75% | 0.753 | S | S | * | * | -162.2 | 123.1 | 116.9 | -113.6 | -83.5 | 0 | 0 | 0 | 110.5 | N329 | H327-N329 PolarHBondContact O-N 3.36Š| |||
| 328 | L | 30 | Very low | 29 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | -65.6 | 121.5 | -176.8 | -81.2 | 93.8 | 0 | 0 | 0 | 111.8 | ||||
| 329 | N | 30.3 | Very low | 29.1 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | -122.7 | 92.7 | 153.3 | -111.1 | -14.6 | 0 | 0 | 0 | 106.9 | H327 | H327-N329 PolarHBondContact O-N 3.36Š| ||
| 330 | K | 33.9 | Very low | 29.2 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -97 | 104.2 | 173.4 | -94.8 | -176.4 | 175.8 | -179 | 0 | 109.2 | ||||
| 331 | S | 28.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -61.9 | 135.7 | 159.9 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | D333 | S331-D333 PolarHBondContact O-N 3.32Š| ||
| 332 | Y | 26.5 | Very low | 29.4 | Very low | 226 Ų | 226 | 149.8 Ų | 149.8 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | -75.7 | 110.4 | 177.1 | -82.6 | -97.5 | 0 | 0 | 0 | 109.9 | ||||
| 333 | D | 31.6 | Very low | 29.3 | Very low | 140 Ų | 140 | 150.5 Ų | 150.5 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -100.6 | 136.6 | 159.5 | -81.6 | -30.3 | 0 | 0 | 0 | 109 | S331 I335 | S331-D333 PolarHBondContact O-N 3.32Å; D333-I335 PolarHBondContact O-N 3.41Å | ||
| 334 | P | 31.3 | Very low | 29.6 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 125.6 | -179.4 | 27.3 | -31.6 | 0 | 0 | 0 | 110.4 | I336 | P334-I336 PolarHBondContact O-N 3.48Š| ||
| 335 | I | 28.6 | Very low | 29.6 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -68.4 | 93 | 179.8 | -62.3 | 170.5 | 0 | 0 | 0 | 108.9 | D333 | D333-I335 PolarHBondContact O-N 3.41Š| ||
| 336 | I | 30 | Very low | 29.7 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -85.7 | 115 | 166.8 | -63.1 | 166.4 | 0 | 0 | 0 | 107.3 | P334 | P334-I336 PolarHBondContact O-N 3.48Š| ||
| 337 | S | 26.4 | Very low | 29.9 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | 38 | 89.9 | 157.4 | 61.9 | 0 | 0 | 0 | 0 | 118.2 | T339 | S337-T339 PolarHBondContact O-N 3.29Š| ||
| 338 | N | 27.5 | Very low | 30 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -77.2 | 75.3 | 155.4 | -78.6 | -20.6 | 0 | 0 | 0 | 109.7 | I340 | N338-I340 PolarHBondContact O-N 3.45Š| ||
| 339 | T | 32.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -57.6 | 120.8 | 150.3 | 26.4 | 0 | 0 | 0 | 0 | 106.9 | S337 G341 | S337-T339 PolarHBondContact O-N 3.29Å; T339-G341 PolarHBondContact O-N 3.17Å | ||
| 340 | I | 29.4 | Very low | 30.5 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -66.5 | 81.3 | 176.1 | -64 | 170 | 0 | 0 | 0 | 107.7 | N338 R342 | N338-I340 PolarHBondContact O-N 3.45Å; I340-R342 HydrophobicContact CG2-CB 4.09Å; I340-R342 HydrophobicContact CG2-CG 3.67Å; I340-R342 PolarHBondContact O-N 2.92Å | ||
| 341 | G | 28.5 | Very low | 30.6 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -72.6 | 69.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | T339 K343 | T339-G341 PolarHBondContact O-N 3.17Å; G341-K343 PolarHBondContact O-N 2.82Å | ||
| 342 | R | 30.8 | Very low | 30.9 | Very low | 213 Ų | 213 | 138.1 Ų | 138.1 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -74.1 | 106.4 | 165.5 | -91.8 | -179.1 | 176.5 | -170.2 | -0.1 | 107 | I340 L344 | I340-R342 HydrophobicContact CG2-CB 4.09Å; I340-R342 HydrophobicContact CG2-CG 3.67Å; I340-R342 PolarHBondContact O-N 2.92Å; R342-L344 PolarHBondContact O-N 3.28Å | ||
| 343 | K | 28.5 | Very low | 31.3 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 81% | 0.809 | 71% | 0.709 | S | S | * | * | trans | -42.2 | 97.3 | 162.2 | -81.5 | 178.1 | 172.5 | 177.8 | 0 | 109.6 | G341 T345 | G341-K343 PolarHBondContact O-N 2.82Å; K343-T345 HydrophobicContact CB-CG2 4.25Å; K343-T345 PolarHBondContact O-N 2.95Å | ||
| 344 | L | 32.3 | Very low | 31.7 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 89% | 0.885 | 70% | 0.697 | S | S | * | * | trans | -81.2 | 64.5 | 161.5 | -80.7 | 161 | 0 | 0 | 0 | 107.7 | R342 N346 | R342-L344 PolarHBondContact O-N 3.28Å; L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 3.45Å | ||
| 345 | T | 27.4 | Very low | 32.2 | Very low | 106 Ų | 106 | 126 Ų | 126 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | trans | -82.1 | 82.5 | 165.7 | 47.3 | 0 | 0 | 0 | 0 | 107.6 | K343 | K343-T345 HydrophobicContact CB-CG2 4.25Å; K343-T345 PolarHBondContact O-N 2.95Å | ||
| 346 | N | 31.1 | Very low | 32.7 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 175.2 | 114.5 | 143.3 | -96.5 | -24.2 | 0 | 0 | 0 | 111.8 | L344 | L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 3.45Å |
| 347 | Q | 30.2 | Very low | 32.9 | Very low | 157 Ų | 157 | 119.1 Ų | 119.1 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | trans | 59.9 | 115.9 | 135.7 | -58.4 | -174.1 | -8.4 | 0 | 0 | 119.2 | ||||
| 348 | N | 34.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 90.3 | 15.6 | 143.4 | -64.2 | -9.3 | 0 | 0 | 0 | 122.3 | ||
| 349 | Y | 32.5 | Very low | 34.7 | Very low | 182 Ų | 182 | 114 Ų | 114 | 71% | 0.714 | 61% | 0.614 | S | S | * | * | trans | -136.6 | 97.7 | 169.8 | -74.5 | -82.9 | 0 | 0 | 0 | 113.7 | I351 T353 | Y349-I351 PolarHBondContact O-N 3.43Å; Y349-T353 PolarHBondContact O-OG1 2.92Å | ||
| 350 | P | 38.5 | Very low | 35.4 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67 | -24 | 177.4 | 24.4 | -30.9 | 0 | 0 | 0 | 113.2 | I354 | P350-I354 WeakPolarHBondContact O-CD1 3.44Å; P350-I354 VanDerWaalsContact O-CG1 3.29Å; P350-I354 WeakPolarHBondContact O-CG1 3.37Å |
| 351 | I | 36.4 | Very low | 36.1 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 53% | 0.528 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.9 | -35.3 | -172 | -58.1 | 170.6 | 0 | 0 | 0 | 112 | Y349 L355 | Y349-I351 PolarHBondContact O-N 3.43Å; I351-L355 HydrophobicContact CG2-CD1 4.32Å; I351-L355 WeakPolarHBondContact O-CD1 3.31Å |
| 352 | A | 34.6 | Very low | 36.9 | Very low | 69 Ų | 69 | 117.6 Ų | 117.6 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.2 | -31.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S356 | A352-S356 PolarHBondContact O-N 2.87Å |
| 353 | T | 35.6 | Very low | 37.7 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.4 | -30 | -179.2 | -19.8 | 0 | 0 | 0 | 0 | 112.4 | Y349 S356 | Y349-T353 PolarHBondContact O-OG1 2.92Å; T353-S356 PolarHBondContact O-OG 3.35Å |
| 354 | I | 39.1 | Very low | 38.6 | Very low | 96 Ų | 96 | 113.5 Ų | 113.5 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.4 | -41.3 | 177.3 | -64.5 | 164.8 | 0 | 0 | 0 | 109.9 | P350 A358 L373 | P350-I354 WeakPolarHBondContact O-CD1 3.44Å; P350-I354 VanDerWaalsContact O-CG1 3.29Å; P350-I354 WeakPolarHBondContact O-CG1 3.37Å; I354-A358 WeakPolarHBondContact O-CB 3.3Å; I354-A358 PolarHBondContact O-N 3.5Å; I354-L373 HydrophobicContact CG2-CD2 4.25Å |
| 355 | L | 41.6 | Very low | 39.4 | Very low | 41 Ų | 41 | 107.7 Ų | 107.7 | 22% | 0.215 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -66.1 | -40.2 | 177.7 | -95.6 | 96.1 | 0 | 0 | 0 | 112.9 | I351 N357 I359 L373 F374 | I351-L355 HydrophobicContact CG2-CD1 4.32Å; I351-L355 WeakPolarHBondContact O-CD1 3.31Å; L355-N357 VanDerWaalsContact C-N 3.33Å; L355-N357 PolarHBondContact O-N 2.77Å; L355-I359 HydrophobicContact CB-CD1 3.97Å; L355-I359 HydrophobicContact CD2-CD1 3.62Å; L355-I359 HydrophobicContact CG-CD1 3.93Å; L355-I359 WeakPolarHBondContact O-CB 3.34Å; L355-I359 WeakPolarHBondContact O-CD1 3.43Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.45Å; L355-L373 HydrophobicContact CD1-CD2 3.69Å; L355-L373 HydrophobicContact CG-CD2 4.12Å; L355-F374 HydrophobicContact CD1-CE1 4.4Å; L355-F374 HydrophobicContact CD1-CZ 4.04Å; L355-F374 HydrophobicContact CD2-CE2 4.16Å; L355-F374 HydrophobicContact CD2-CZ 3.62Å; L355-F374 HydrophobicContact CG-CZ 4.47Å |
| 356 | S | 38.5 | Very low | 40.3 | Very low | 48 Ų | 48 | 106.3 Ų | 106.3 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -41.6 | -178.7 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | A352 T353 L360 | A352-S356 PolarHBondContact O-N 2.87Å; T353-S356 PolarHBondContact O-OG 3.35Å; S356-L360 VanDerWaalsContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CB 3.35Å; S356-L360 WeakPolarHBondContact O-CD1 3.31Å; S356-L360 WeakPolarHBondContact O-CG 3.47Å; S356-L360 PolarHBondContact O-N 3.4Å |
| 357 | N | 35.9 | Very low | 41.2 | Very low | 103 Ų | 103 | 102.3 Ų | 102.3 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.8 | -37.7 | -177.3 | -66.2 | -4.9 | 0 | 0 | 0 | 112.1 | L355 D361 | L355-N357 VanDerWaalsContact C-N 3.33Å; L355-N357 PolarHBondContact O-N 2.77Å; N357-D361 PolarHBondContact O-N 2.93Å |
| 358 | A | 45.9 | Very low | 42 | Very low | 35 Ų | 35 | 99.4 Ų | 99.4 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.3 | -33.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | I354 I365 | I354-A358 WeakPolarHBondContact O-CB 3.3Å; I354-A358 PolarHBondContact O-N 3.5Å; A358-I365 WeakPolarHBondContact O-CD1 3.4Å |
| 359 | I | 45.3 | Very low | 42.8 | Very low | 95 Ų | 95 | 96.3 Ų | 96.3 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -84.2 | -32 | -177.7 | -62.8 | 169.7 | 0 | 0 | 0 | 111.9 | L355 I365 | L355-I359 HydrophobicContact CB-CD1 3.97Å; L355-I359 HydrophobicContact CD2-CD1 3.62Å; L355-I359 HydrophobicContact CG-CD1 3.93Å; L355-I359 WeakPolarHBondContact O-CB 3.34Å; L355-I359 WeakPolarHBondContact O-CD1 3.43Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.45Å; I359-I365 HydrophobicContact CB-CD1 4.39Å; I359-I365 HydrophobicContact CG1-CD1 3.76Å |
| 360 | L | 46.5 | Very low | 43.8 | Very low | 141 Ų | 141 | 90.9 Ų | 90.9 | 74% | 0.738 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.6 | -29 | 179.9 | -75.1 | 166.3 | 0 | 0 | 0 | 113 | S356 | S356-L360 VanDerWaalsContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CB 3.35Å; S356-L360 WeakPolarHBondContact O-CD1 3.31Å; S356-L360 WeakPolarHBondContact O-CG 3.47Å; S356-L360 PolarHBondContact O-N 3.4Å |
| 361 | D | 43.9 | Very low | 44.3 | Very low | 140 Ų | 140 | 92.8 Ų | 92.8 | 75% | 0.749 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -90.7 | -12.3 | -177.8 | -75.6 | -19.4 | 0 | 0 | 0 | 114.1 | N357 | N357-D361 PolarHBondContact O-N 2.93Š|
| 362 | R | 46 | Very low | 45.1 | Very low | 137 Ų | 137 | 92.6 Ų | 92.6 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | trans | -113 | 116.7 | -178 | -69.7 | -172.8 | 175.1 | -156.6 | -1.6 | 111.6 | Y364 I365 E369 | R362-Y364 PolarHBondContact O-N 3.36Å; R362-I365 HydrophobicContact CB-CD1 4.43Å; R362-I365 HydrophobicContact CB-CG1 4.05Å; R362-E369 IonicContact NH1-OE1 3.98Å; R362-E369 IonicContact NH1-OE2 3.21Å; R362-E369 PolarHBondContact NH1-OE2 2.92Å | ||
| 363 | P | 47.2 | Very low | 45.8 | Very low | 114 Ų | 114 | 93.3 Ų | 93.3 | 74% | 0.74 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -67.5 | -15.7 | 176.9 | 25 | -31.5 | 0 | 0 | 0 | 113.4 | ||
| 364 | Y | 47.9 | Very low | 46.3 | Very low | 198 Ų | 198 | 94.9 Ų | 94.9 | 78% | 0.776 | 49% | 0.493 | S | S | * | . | trans | -146.5 | 119.3 | 175.9 | -57.6 | -79.9 | 0 | 0 | 0 | 108.9 | R362 | R362-Y364 PolarHBondContact O-N 3.36Š| ||
| 365 | I | 49.5 | Very low | 46.4 | Very low | 48 Ų | 48 | 94.5 Ų | 94.5 | 25% | 0.246 | 49% | 0.492 | C | S | . | . | trans | -107.3 | 130.5 | 167.1 | -90.5 | 170.7 | 0 | 0 | 0 | 106.9 | A358 I359 R362 E369 I370 | A358-I365 WeakPolarHBondContact O-CD1 3.4Å; I359-I365 HydrophobicContact CB-CD1 4.39Å; I359-I365 HydrophobicContact CG1-CD1 3.76Å; R362-I365 HydrophobicContact CB-CD1 4.43Å; R362-I365 HydrophobicContact CB-CG1 4.05Å; I365-E369 HydrophobicContact CG2-CB 4.35Å; I365-I370 HydrophobicContact CG2-CD1 3.71Å; I365-I370 HydrophobicContact CG2-CG1 3.26Å | ||
| 366 | N | 45.5 | Very low | 46.4 | Very low | 77 Ų | 77 | 101.2 Ų | 101.2 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | trans | -69.9 | 142.4 | 176.7 | -171.8 | 11.8 | 0 | 0 | 0 | 109.8 | D368 E369 I370 | N366-D368 PolarHBondContact ND2-OD2 3.42Å; N366-D368 PolarHBondContact O-N 3.41Å; N366-E369 HydrophobicContact CB-CB 4.42Å; N366-E369 HydrophobicContact CB-CG 4.08Å; N366-E369 WeakPolarHBondContact O-CA 3.33Å; N366-E369 WeakPolarHBondContact O-CB 2.99Å; N366-E369 PolarHBondContact O-N 3.02Å; N366-I370 PolarHBondContact O-N 3.38Å | ||
| 367 | A | 49.7 | Very low | 46.4 | Very low | 53 Ų | 53 | 106.7 Ų | 106.7 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.3 | -34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E369 I370 H371 | A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 PolarHBondContact O-N 3.49Å; A367-I370 WeakPolarHBondContact O-CB 3.26Å; A367-I370 PolarHBondContact O-N 2.9Å; A367-I370 VanDerWaalsContact O-N 3.15Å; A367-H371 PolarHBondContact O-CD2 2.94Å; A367-H371 PolarHBondContact O-N 2.87Å |
| 368 | D | 47.6 | Very low | 46.5 | Very low | 96 Ų | 96 | 104.3 Ų | 104.3 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 174.4 | -57.3 | -32.1 | 0 | 0 | 0 | 112.2 | N366 I370 H371 T372 | N366-D368 PolarHBondContact ND2-OD2 3.42Å; N366-D368 PolarHBondContact O-N 3.41Å; D368-I370 VanDerWaalsContact C-N 3.34Å; D368-H371 PolarHBondContact O-N 3.14Å; D368-T372 WeakPolarHBondContact O-CG2 3.32Å; D368-T372 PolarHBondContact O-N 3.36Å; D368-T372 PolarHBondContact O-OG1 3.39Å |
| 369 | E | 51.8 | Low | 46.1 | Very low | 73 Ų | 73 | 108.4 Ų | 108.4 | 34% | 0.341 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -36.6 | 175.1 | -71.6 | 176.5 | -162.3 | 0 | 0 | 111.1 | R362 I365 N366 A367 T372 L373 | R362-E369 IonicContact NH1-OE1 3.98Å; R362-E369 IonicContact NH1-OE2 3.21Å; R362-E369 PolarHBondContact NH1-OE2 2.92Å; I365-E369 HydrophobicContact CG2-CB 4.35Å; N366-E369 HydrophobicContact CB-CB 4.42Å; N366-E369 HydrophobicContact CB-CG 4.08Å; N366-E369 WeakPolarHBondContact O-CA 3.33Å; N366-E369 WeakPolarHBondContact O-CB 2.99Å; N366-E369 PolarHBondContact O-N 3.02Å; A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 PolarHBondContact O-N 3.49Å; E369-T372 WeakPolarHBondContact CA-OG1 3.48Å; E369-T372 PolarHBondContact O-N 3.26Å; E369-T372 PolarHBondContact O-OG1 3.32Å; E369-L373 WeakPolarHBondContact O-CD1 3.44Å; E369-L373 PolarHBondContact O-N 2.91Å; E369-L373 VanDerWaalsContact O-N 3.08Å |
| 370 | I | 53.3 | Low | 45.6 | Very low | 69 Ų | 69 | 110.2 Ų | 110.2 | 35% | 0.354 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -46.8 | 173.7 | -58.4 | 179 | 0 | 0 | 0 | 109.8 | I365 N366 A367 D368 T372 L373 F374 | I365-I370 HydrophobicContact CG2-CD1 3.71Å; I365-I370 HydrophobicContact CG2-CG1 3.26Å; N366-I370 PolarHBondContact O-N 3.38Å; A367-I370 WeakPolarHBondContact O-CB 3.26Å; A367-I370 PolarHBondContact O-N 2.9Å; A367-I370 VanDerWaalsContact O-N 3.15Å; D368-I370 VanDerWaalsContact C-N 3.34Å; I370-T372 VanDerWaalsContact C-N 3.29Å; I370-T372 PolarHBondContact O-N 2.97Å; I370-L373 WeakPolarHBondContact O-CB 3.25Å; I370-L373 PolarHBondContact O-N 2.93Å; I370-F374 HydrophobicContact CG2-CD2 3.68Å; I370-F374 HydrophobicContact CG2-CE2 3.64Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3.46Å |
| 371 | H | 48.3 | Very low | 44.8 | Very low | 131 Ų | 131 | 108.3 Ų | 108.3 | 61% | 0.606 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.5 | -37.2 | 178 | -71.2 | -61.1 | 0 | 0 | 0 | 112.2 | A367 D368 L373 F374 D375 | A367-H371 PolarHBondContact O-CD2 2.94Å; A367-H371 PolarHBondContact O-N 2.87Å; D368-H371 PolarHBondContact O-N 3.14Å; H371-L373 VanDerWaalsContact C-N 3.32Å; H371-L373 PolarHBondContact O-N 3.39Å; H371-F374 PolarHBondContact O-N 3.46Å; H371-D375 PolarHBondContact O-N 3.24Å; H371-D375 VanDerWaalsContact O-N 3.13Å |
| 372 | T | 52.7 | Low | 44.2 | Very low | 100 Ų | 100 | 108 Ų | 108 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.4 | -25.9 | 173.3 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | D368 E369 I370 | D368-T372 WeakPolarHBondContact O-CG2 3.32Å; D368-T372 PolarHBondContact O-N 3.36Å; D368-T372 PolarHBondContact O-OG1 3.39Å; E369-T372 WeakPolarHBondContact CA-OG1 3.48Å; E369-T372 PolarHBondContact O-N 3.26Å; E369-T372 PolarHBondContact O-OG1 3.32Å; I370-T372 VanDerWaalsContact C-N 3.29Å; I370-T372 PolarHBondContact O-N 2.97Å |
| 373 | L | 49.4 | Very low | 43.7 | Very low | 83 Ų | 83 | 109.4 Ų | 109.4 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.7 | -26.1 | 175.3 | -111.8 | 107 | 0 | 0 | 0 | 113 | I354 L355 E369 I370 H371 | I354-L373 HydrophobicContact CG2-CD2 4.25Å; L355-L373 HydrophobicContact CD1-CD2 3.69Å; L355-L373 HydrophobicContact CG-CD2 4.12Å; E369-L373 WeakPolarHBondContact O-CD1 3.44Å; E369-L373 PolarHBondContact O-N 2.91Å; E369-L373 VanDerWaalsContact O-N 3.08Å; I370-L373 WeakPolarHBondContact O-CB 3.25Å; I370-L373 PolarHBondContact O-N 2.93Å; H371-L373 VanDerWaalsContact C-N 3.32Å; H371-L373 PolarHBondContact O-N 3.39Å |
| 374 | F | 46.4 | Very low | 42.9 | Very low | 115 Ų | 115 | 109 Ų | 109 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -105.5 | -0.1 | -176.7 | -71.2 | -70.5 | 0 | 0 | 0 | 114.2 | L355 I370 H371 Q376 | L355-F374 HydrophobicContact CD1-CE1 4.4Å; L355-F374 HydrophobicContact CD1-CZ 4.04Å; L355-F374 HydrophobicContact CD2-CE2 4.16Å; L355-F374 HydrophobicContact CD2-CZ 3.62Å; L355-F374 HydrophobicContact CG-CZ 4.47Å; I370-F374 HydrophobicContact CG2-CD2 3.68Å; I370-F374 HydrophobicContact CG2-CE2 3.64Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3.46Å; H371-F374 PolarHBondContact O-N 3.46Å; F374-Q376 PolarHBondContact O-N 2.92Å |
| 375 | D | 42.1 | Very low | 42.3 | Very low | 87 Ų | 87 | 104.9 Ų | 104.9 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | trans | -73.7 | 94.5 | 176.6 | -162.2 | -5.8 | 0 | 0 | 0 | 110.8 | H371 H377 S378 | H371-D375 PolarHBondContact O-N 3.24Å; H371-D375 VanDerWaalsContact O-N 3.13Å; D375-H377 PolarHBondContact O-N 3.49Å; D375-H377 PolarHBondContact OD1-N 3.21Å; D375-S378 PolarHBondContact O-N 3.5Å | ||
| 376 | Q | 40.8 | Very low | 41.4 | Very low | 182 Ų | 182 | 112.5 Ų | 112.5 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -6.4 | 177.6 | -75.4 | -177.8 | -10.6 | 0 | 0 | 113.7 | F374 | F374-Q376 PolarHBondContact O-N 2.92Š|
| 377 | H | 39.7 | Very low | 40.9 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 76% | 0.759 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 6.9 | -179.5 | -65 | -55.2 | 0 | 0 | 0 | 114.1 | D375 P379 | D375-H377 PolarHBondContact O-N 3.49Å; D375-H377 PolarHBondContact OD1-N 3.21Å; H377-P379 VanDerWaalsContact O-CD 3.29Å; H377-P379 WeakPolarHBondContact O-CD 3.45Å |
| 378 | S | 37.4 | Very low | 40 | Very low | 52 Ų | 52 | 120.2 Ų | 120.2 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | trans | -83.2 | 113.4 | 172.6 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | D375 N380 S381 | D375-S378 PolarHBondContact O-N 3.5Å; S378-N380 PolarHBondContact O-N 3.19Å; S378-S381 PolarHBondContact O-N 2.88Å | ||
| 379 | P | 37 | Very low | 39.3 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 5 | -177.8 | -15.4 | 30.4 | 0 | 0 | 0 | 114.9 | H377 | H377-P379 VanDerWaalsContact O-CD 3.29Å; H377-P379 WeakPolarHBondContact O-CD 3.45Å |
| 380 | N | 34.3 | Very low | 38.3 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 15.9 | -175.9 | -73.1 | -14.1 | 0 | 0 | 0 | 113.6 | S378 T382 | S378-N380 PolarHBondContact O-N 3.19Å; N380-T382 PolarHBondContact O-N 3.27Å |
| 381 | S | 31 | Very low | 37.2 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | -78.8 | 40.6 | 179.7 | 91.4 | 0 | 0 | 0 | 0 | 114.2 | S378 | S378-S381 PolarHBondContact O-N 2.88Š| ||
| 382 | T | 30.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -121.4 | 59.8 | 166.9 | 25.2 | 0 | 0 | 0 | 0 | 108 | N380 N384 | N380-T382 PolarHBondContact O-N 3.27Å; T382-N384 VanDerWaalsContact C-N 3.3Å; T382-N384 PolarHBondContact O-N 3.19Å | ||
| 383 | L | 36.2 | Very low | 35.2 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -74.6 | 92.2 | 172 | -154.3 | 76.5 | 0 | 0 | 0 | 108.4 | ||||
| 384 | N | 30.2 | Very low | 34.5 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 57% | 0.567 | 73% | 0.729 | S | S | * | * | trans | -53 | 128 | 173.7 | -131.5 | -4.6 | 0 | 0 | 0 | 108.9 | T382 Y386 | T382-N384 VanDerWaalsContact C-N 3.3Å; T382-N384 PolarHBondContact O-N 3.19Å; N384-Y386 PolarHBondContact O-N 3.37Å | ||
| 385 | P | 34.4 | Very low | 33.8 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 16.8 | -172 | 26.7 | -31.9 | 0 | 0 | 0 | 114.7 | ||
| 386 | Y | 31.2 | Very low | 33.3 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 13.4 | -171.8 | -79.4 | -75.3 | 0 | 0 | 0 | 115.2 | N384 | N384-Y386 PolarHBondContact O-N 3.37Š|
| 387 | H | 33.9 | Very low | 32.9 | Very low | 154 Ų | 154 | 146 Ų | 146 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -91.7 | 126 | 176 | -96.5 | -51.5 | 0 | 0 | 0 | 113.6 | ||||
| 388 | D | 31.5 | Very low | 32.5 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -46.9 | 141.1 | -173.1 | -66.2 | -61.4 | 0 | 0 | 0 | 114.5 | E390 | D388-E390 PolarHBondContact O-N 3.46Š| ||
| 389 | L | 32.5 | Very low | 32.1 | Very low | 178 Ų | 178 | 153 Ų | 153 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -69 | 63.9 | 179.6 | -134.6 | 85.8 | 0 | 0 | 0 | 110.9 | Y391 | L389-Y391 PolarHBondContact O-N 2.98Å; L389-Y391 VanDerWaalsContact O-N 3.1Å | ||
| 390 | E | 31.2 | Very low | 31.7 | Very low | 174 Ų | 174 | 151.5 Ų | 151.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -79.2 | 91.7 | 168.4 | -80.2 | -170.1 | 168 | 0 | 0 | 110 | D388 Y392 | D388-E390 PolarHBondContact O-N 3.46Å; E390-Y392 PolarHBondContact O-N 2.83Å | ||
| 391 | Y | 29.2 | Very low | 31.5 | Very low | 235 Ų | 235 | 150 Ų | 150 | 92% | 0.922 | 77% | 0.774 | S | S | * | * | trans | 29.2 | 64.1 | 140.3 | -103.8 | -94.8 | 0 | 0 | 0 | 116.7 | L389 N393 | L389-Y391 PolarHBondContact O-N 2.98Å; L389-Y391 VanDerWaalsContact O-N 3.1Å; Y391-N393 PolarHBondContact O-N 2.96Å | ||
| 392 | Y | 30.4 | Very low | 31.7 | Very low | 231 Ų | 231 | 151.5 Ų | 151.5 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -81 | 105.7 | 163.3 | -111.8 | -92.9 | 0 | 0 | 0 | 110 | E390 P394 | E390-Y392 PolarHBondContact O-N 2.83Å; Y392-P394 WeakPolarHBondContact O-CD 3.45Å | ||
| 393 | N | 30.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 152 Ų | 152 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | trans | -50.9 | 113.6 | -179.4 | -168.6 | -5.1 | 0 | 0 | 0 | 111.9 | Y391 M395 | Y391-N393 PolarHBondContact O-N 2.96Å; N393-M395 PolarHBondContact O-N 3.35Å | ||
| 394 | P | 33.8 | Very low | 31.8 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -75.2 | 9.8 | -173.5 | 29.2 | -33.8 | 0 | 0 | 0 | 114.6 | Y392 N396 | Y392-P394 WeakPolarHBondContact O-CD 3.45Å; P394-N396 PolarHBondContact O-N 2.99Å |
| 395 | M | 31.1 | Very low | 32.1 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -82.9 | -1.2 | -171.7 | -79.3 | -69.8 | 178.6 | 0 | 0 | 116 | N393 | N393-M395 PolarHBondContact O-N 3.35Š|
| 396 | N | 32 | Very low | 32 | Very low | 160 Ų | 160 | 154 Ų | 154 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -123.1 | 5.1 | -174.8 | -88.9 | -17.3 | 0 | 0 | 0 | 116.3 | P394 K398 | P394-N396 PolarHBondContact O-N 2.99Å; N396-K398 PolarHBondContact O-N 2.9Å |
| 397 | T | 33.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -86.7 | 109.6 | 170.8 | 38.6 | 0 | 0 | 0 | 0 | 109.5 | I399 | T397-I399 PolarHBondContact O-N 2.98Š|
| 398 | K | 31.5 | Very low | 32.2 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -46.7 | 111.8 | 173.9 | -75.3 | 176.7 | 177.5 | 176.6 | 0 | 109.5 | N396 S400 | N396-K398 PolarHBondContact O-N 2.9Å; K398-S400 PolarHBondContact O-N 3.18Å; K398-S400 PolarHBondContact O-OG 3.46Å | ||
| 399 | I | 28.8 | Very low | 32.3 | Very low | 168 Ų | 168 | 155.4 Ų | 155.4 | 86% | 0.862 | 77% | 0.77 | S | S | * | * | trans | -71.7 | 85.1 | 174.6 | -56.9 | 167.6 | 0 | 0 | 0 | 106.9 | T397 S401 | T397-I399 PolarHBondContact O-N 2.98Å; I399-S401 PolarHBondContact O-N 3.46Å | ||
| 400 | S | 29.4 | Very low | 32.2 | Very low | 90 Ų | 90 | 154.1 Ų | 154.1 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -68.6 | 111.6 | 165.7 | -28.9 | 0 | 0 | 0 | 0 | 107 | K398 T402 | K398-S400 PolarHBondContact O-N 3.18Å; K398-S400 PolarHBondContact O-OG 3.46Å; S400-T402 PolarHBondContact O-N 3.41Å; S400-T402 VanDerWaalsContact O-N 3.13Å | ||
| 401 | S | 29.8 | Very low | 32.3 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -60.7 | 109.5 | -173.4 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | I399 | I399-S401 PolarHBondContact O-N 3.46Š| ||
| 402 | T | 33.7 | Very low | 32.3 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -107.9 | 60 | 162.9 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | S400 | S400-T402 PolarHBondContact O-N 3.41Å; S400-T402 VanDerWaalsContact O-N 3.13Å | ||
| 403 | L | 34.3 | Very low | 32.5 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -71.7 | 136.4 | 167.7 | -84.5 | 159.2 | 0 | 0 | 0 | 109.4 | R405 | L403-R405 PolarHBondContact O-N 3.32Å; L403-R405 VanDerWaalsContact O-N 3.17Å | ||
| 404 | P | 36 | Very low | 32.7 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 52% | 0.519 | 74% | 0.743 | S | S | . | * | trans | -63.7 | 116.8 | 173.6 | -10.6 | 24.6 | 0 | 0 | 0 | 108.7 | W80 D406 | W80-P404 HydrophobicContact CZ2-CG 4.18Å; P404-D406 PolarHBondContact O-N 3.47Å | ||
| 405 | R | 35.3 | Very low | 32.7 | Very low | 219 Ų | 219 | 147.4 Ų | 147.4 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -77.9 | 112.7 | 172.7 | -84.1 | -176 | -177.5 | 179.8 | 1.8 | 109.5 | L403 Y407 | L403-R405 PolarHBondContact O-N 3.32Å; L403-R405 VanDerWaalsContact O-N 3.17Å; R405-Y407 PolarHBondContact O-N 2.99Å; R405-Y407 VanDerWaalsContact O-N 3.16Å | ||
| 406 | D | 34 | Very low | 33.1 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | -61.8 | 107.4 | 161.8 | -73.3 | -38 | 0 | 0 | 0 | 109.4 | P404 K408 | P404-D406 PolarHBondContact O-N 3.47Å; D406-K408 PolarHBondContact O-N 2.9Å | ||
| 407 | Y | 32.8 | Very low | 33.2 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -78.5 | 98 | 168.8 | -91.2 | -92.9 | 0 | 0 | 0 | 109.5 | R405 | R405-Y407 PolarHBondContact O-N 2.99Å; R405-Y407 VanDerWaalsContact O-N 3.16Å | ||
| 408 | K | 35.2 | Very low | 33.4 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | -109.9 | 89.4 | 146.7 | -82.6 | -168.4 | 176.8 | -173 | 0 | 107.2 | D406 | D406-K408 PolarHBondContact O-N 2.9Š| ||
| 409 | Q | 33.7 | Very low | 33.5 | Very low | 158 Ų | 158 | 145 Ų | 145 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -93.7 | 92.8 | 169.2 | -160.5 | 164.4 | 23.7 | 0 | 0 | 107.3 | I411 | Q409-I411 PolarHBondContact O-N 3.26Š| ||
| 410 | E | 31.5 | Very low | 33.9 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -67.9 | 112.1 | 166.3 | -74.2 | -179.2 | -179.3 | 0 | 0 | 108.1 | Y412 | E410-Y412 HydrophobicContact CB-CD2 4.12Å; E410-Y412 HydrophobicContact CB-CE2 4.31Å; E410-Y412 PolarHBondContact O-N 3.43Å | ||
| 411 | I | 32 | Very low | 34 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -72.8 | 93.9 | 172.8 | -58.7 | 171.1 | 0 | 0 | 0 | 107.2 | Q409 | Q409-I411 PolarHBondContact O-N 3.26Š| ||
| 412 | Y | 29.7 | Very low | 34.3 | Very low | 187 Ų | 187 | 153 Ų | 153 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -119.7 | 75.9 | 159.8 | -74.5 | -72.9 | 0 | 0 | 0 | 109.2 | E410 T414 | E410-Y412 HydrophobicContact CB-CD2 4.12Å; E410-Y412 HydrophobicContact CB-CE2 4.31Å; E410-Y412 PolarHBondContact O-N 3.43Å; Y412-T414 VanDerWaalsContact C-N 3.34Å; Y412-T414 PolarHBondContact O-N 2.96Å | ||
| 413 | S | 34.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -86.4 | 78.3 | 163.1 | -51.8 | 0 | 0 | 0 | 0 | 108.4 | N415 | S413-N415 PolarHBondContact O-N 3.48Š| ||
| 414 | T | 34.9 | Very low | 34.8 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -80.7 | 91.5 | 165.1 | 45.5 | 0 | 0 | 0 | 0 | 108.9 | Y412 V416 | Y412-T414 VanDerWaalsContact C-N 3.34Å; Y412-T414 PolarHBondContact O-N 2.96Å; T414-V416 VanDerWaalsContact C-N 3.34Å; T414-V416 PolarHBondContact O-N 3.46Å | ||
| 415 | N | 34 | Very low | 34.8 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -64.9 | 93.7 | 162.2 | -96 | -30.4 | 0 | 0 | 0 | 109 | S413 | S413-N415 PolarHBondContact O-N 3.48Š| ||
| 416 | V | 39.2 | Very low | 35 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -112.9 | 104.3 | 166.1 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | T414 | T414-V416 VanDerWaalsContact C-N 3.34Å; T414-V416 PolarHBondContact O-N 3.46Å | ||
| 417 | K | 34.6 | Very low | 35.3 | Very low | 197 Ų | 197 | 150 Ų | 150 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -44.6 | 132.4 | 162.7 | -82.6 | 171.1 | 168.8 | 173.2 | 0 | 110.6 | ||||
| 418 | S | 37.2 | Very low | 35.5 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -150.8 | 132.5 | 134.4 | 76 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 419 | N | 34.1 | Very low | 35.7 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -63.4 | 148 | 179 | -59.3 | -36 | 0 | 0 | 0 | 111.2 | ||||
| 420 | N | 35.7 | Very low | 35.8 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | 171.1 | 113.9 | 120.2 | -92.8 | -19.1 | 0 | 0 | 0 | 111.4 | |||||
| 421 | R | 33 | Very low | 36 | Very low | 246 Ų | 246 | 141.4 Ų | 141.4 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -152.7 | 89.3 | 150.6 | -113.1 | -174 | -166.8 | -178.5 | 4.9 | 109 | ||||
| 422 | T | 35 | Very low | 36.3 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -168.6 | 149.6 | 153.2 | 17.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 423 | T | 40.5 | Very low | 36.7 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | 81.3 | 94.5 | 175.1 | 65.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 424 | T | 37.3 | Very low | 36.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | 74.1 | 132.9 | 87.4 | 46.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 425 | N | 37.4 | Very low | 37 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 86.3 | 103.9 | 154.9 | -74 | -5.4 | 0 | 0 | 0 | 119.7 | ||||
| 426 | N | 38.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | 76 | 126.9 | 114.4 | -77.5 | -2.3 | 0 | 0 | 0 | 121.3 | |||||
| 427 | N | 40.6 | Very low | 37.1 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | trans | 88.6 | 109.6 | 136.7 | -64 | -9.3 | 0 | 0 | 0 | 118.7 | ||||
| 428 | N | 37.8 | Very low | 37.1 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | 44 | 114.6 | 121.8 | -60.4 | -10.9 | 0 | 0 | 0 | 117.2 | |||||
| 429 | S | 39.9 | Very low | 37.2 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | 168.8 | 140.1 | 98.5 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 430 | S | 34.5 | Very low | 37.2 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -60.3 | 144.3 | 169.5 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 431 | S | 37.1 | Very low | 37.1 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | -176.3 | 150.1 | 129.2 | -165.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 432 | H | 38 | Very low | 37.2 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | trans | -44.7 | 144.5 | 179.9 | -79.1 | 9.4 | 0 | 0 | 0 | 116.9 | ||||
| 433 | G | 36.8 | Very low | 37.1 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | -161.3 | 82.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 434 | N | 37.7 | Very low | 37.1 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -70.6 | 120.2 | 171.5 | -155.2 | 11.5 | 0 | 0 | 0 | 107.9 | ||||
| 435 | N | 39.3 | Very low | 36.9 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -161.3 | 119.6 | 158.9 | -93 | -26.4 | 0 | 0 | 0 | 111.3 | S437 | N435-S437 PolarHBondContact O-N 2.9Š| ||
| 436 | N | 35.1 | Very low | 36.7 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -52.5 | 123.8 | 167.8 | -92.5 | -25.6 | 0 | 0 | 0 | 111.4 | ||||
| 437 | S | 39.6 | Very low | 36.4 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -147 | 113.5 | 151.2 | 56.4 | 0 | 0 | 0 | 0 | 109 | N435 S439 | N435-S437 PolarHBondContact O-N 2.9Å; S437-S439 PolarHBondContact O-N 3.05Å | ||
| 438 | N | 34.8 | Very low | 35.8 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -46.1 | 105.6 | 173.7 | -69.9 | -32.8 | 0 | 0 | 0 | 111.3 | ||||
| 439 | S | 38.9 | Very low | 35.5 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | trans | -114.6 | 102.6 | 164.1 | 166.8 | 0 | 0 | 0 | 0 | 106.1 | S437 H441 | S437-S439 PolarHBondContact O-N 3.05Å; S439-H441 PolarHBondContact O-N 2.97Å | ||
| 440 | V | 33.8 | Very low | 35 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -67.6 | 80.9 | 173.7 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | R442 | V440-R442 HydrophobicContact CG1-CG 4.33Å; V440-R442 PolarHBondContact O-N 2.94Å; V440-R442 VanDerWaalsContact O-N 3.08Å | ||
| 441 | H | 34.3 | Very low | 35 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -73.2 | 94.7 | 166.2 | -127.5 | -61.3 | 0 | 0 | 0 | 106.6 | S439 N443 | S439-H441 PolarHBondContact O-N 2.97Å; H441-N443 VanDerWaalsContact C-N 3.33Å; H441-N443 PolarHBondContact O-N 3.21Å | ||
| 442 | R | 34.5 | Very low | 34.4 | Very low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -61.5 | 99.1 | 166.3 | -80.3 | -174 | 174.4 | -172.2 | -0.9 | 107.7 | V440 | V440-R442 HydrophobicContact CG1-CG 4.33Å; V440-R442 PolarHBondContact O-N 2.94Å; V440-R442 VanDerWaalsContact O-N 3.08Å | ||
| 443 | N | 34 | Very low | 34.1 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | -62.1 | 127.8 | 168.7 | -77.4 | -39.7 | 0 | 0 | 0 | 109 | H441 | H441-N443 VanDerWaalsContact C-N 3.33Å; H441-N443 PolarHBondContact O-N 3.21Å | ||
| 444 | P | 38.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 158.6 Ų | 158.6 | 66% | 0.656 | 81% | 0.807 | S | S | * | * | trans | -67.9 | 140.2 | 165.9 | 28.9 | -31.1 | 0 | 0 | 0 | 108.7 | S446 | P444-S446 VanDerWaalsContact C-N 3.34Å; P444-S446 PolarHBondContact O-N 3.19Å | ||
| 445 | P | 34.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 158.5 Ų | 158.5 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -71.1 | 94.4 | 176.1 | 29 | -30.5 | 0 | 0 | 0 | 108.6 | ||||
| 446 | S | 32.6 | Very low | 33.2 | Very low | 92 Ų | 92 | 156.4 Ų | 156.4 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | trans | -104 | 148.9 | 158.6 | 60.9 | 0 | 0 | 0 | 0 | 107.9 | P444 | P444-S446 VanDerWaalsContact C-N 3.34Å; P444-S446 PolarHBondContact O-N 3.19Å | ||
| 447 | R | 31.3 | Very low | 32.9 | Very low | 221 Ų | 221 | 158.4 Ų | 158.4 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | 87.7 | 100.5 | -175.7 | -52.1 | 175.1 | -175.1 | -166 | 0.3 | 112.9 | ||||
| 448 | Y | 29.4 | Very low | 32.5 | Very low | 227 Ų | 227 | 160 Ų | 160 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | 179.8 | 94.7 | 118.8 | -83.1 | -65 | 0 | 0 | 0 | 107.6 | |||||
| 449 | L | 31.4 | Very low | 32.4 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -159.2 | 74.8 | 141.1 | -94.3 | 177.1 | 0 | 0 | 0 | 105 | ||||
| 450 | N | 29.1 | Very low | 32.2 | Very low | 157 Ų | 157 | 163.1 Ų | 163.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 113.1 | 158.9 | -92.1 | -5.6 | 0 | 0 | 0 | 106.3 | ||||
| 451 | T | 33.6 | Very low | 32.3 | Very low | 122 Ų | 122 | 159.1 Ų | 159.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -138.1 | 99.7 | 150.1 | 7.3 | 0 | 0 | 0 | 0 | 107.1 | Y453 | T451-Y453 PolarHBondContact O-N 3.18Š| ||
| 452 | E | 26 | Very low | 32.4 | Very low | 180 Ų | 180 | 158.3 Ų | 158.3 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -52.9 | 124.9 | 171.5 | -66.4 | 173.9 | 137.6 | 0 | 0 | 110.4 | ||||
| 453 | Y | 31.5 | Very low | 32.4 | Very low | 233 Ų | 233 | 153.9 Ų | 153.9 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -135.7 | 118 | 146.7 | -95.3 | -85.6 | 0 | 0 | 0 | 108.4 | T451 | T451-Y453 PolarHBondContact O-N 3.18Š| ||
| 454 | K | 32 | Very low | 32.5 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -59.6 | 146.1 | -173.8 | -75.5 | 170 | 172.1 | 172 | 0 | 113 | ||||
| 455 | N | 29.7 | Very low | 32.4 | Very low | 154 Ų | 154 | 156 Ų | 156 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 62.7 | 85.6 | 150.8 | -67.6 | -12.1 | 0 | 0 | 0 | 118.5 | ||||
| 456 | S | 32.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 157.3 Ų | 157.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -167.9 | 140.8 | 117.6 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | L458 | S456-L458 PolarHBondContact O-N 3.09Š| |||
| 457 | K | 29.3 | Very low | 33 | Very low | 208 Ų | 208 | 159.6 Ų | 159.6 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 99.4 | -164 | -163.7 | 179.2 | -171.8 | -178 | 0 | 109.9 | ||||
| 458 | L | 30.7 | Very low | 33.5 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -117.4 | 109.2 | 166.5 | -109.2 | 146 | 0 | 0 | 0 | 109 | S456 Y460 | S456-L458 PolarHBondContact O-N 3.09Å; L458-Y460 PolarHBondContact O-N 2.78Å; L458-Y460 VanDerWaalsContact O-N 3.15Å | ||
| 459 | V | 33 | Very low | 34 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 104.8 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 107.6 | G461 | V459-G461 PolarHBondContact O-N 3.24Š| ||
| 460 | Y | 33.8 | Very low | 34.7 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -77.9 | 97.8 | 169.9 | -84.3 | -90.7 | 0 | 0 | 0 | 109 | L458 | L458-Y460 PolarHBondContact O-N 2.78Å; L458-Y460 VanDerWaalsContact O-N 3.15Å | ||
| 461 | G | 36.2 | Very low | 35.7 | Very low | 44 Ų | 44 | 142.4 Ų | 142.4 | 45% | 0.454 | 75% | 0.748 | S | S | . | * | trans | -68.9 | 163.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V459 Q463 | V459-G461 PolarHBondContact O-N 3.24Å; G461-Q463 PolarHBondContact O-N 3.28Å | ||
| 462 | P | 36.8 | Very low | 36.4 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | trans | -60.2 | 102.2 | 176.8 | 25.9 | -32.3 | 0 | 0 | 0 | 109.2 | E464 | P462-E464 PolarHBondContact O-N 3.48Š| ||
| 463 | Q | 34.9 | Very low | 37.5 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 62% | 0.621 | 72% | 0.722 | S | S | * | * | trans | -69.2 | 120.6 | 173.8 | -85.6 | 178 | -23 | 0 | 0 | 108.5 | G461 | G461-Q463 PolarHBondContact O-N 3.28Š| ||
| 464 | E | 34.9 | Very low | 38.5 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | -52.8 | 143.3 | 167.5 | -75.9 | 179.8 | 148.2 | 0 | 0 | 110.3 | P462 F466 | P462-E464 PolarHBondContact O-N 3.48Å; E464-F466 PolarHBondContact O-N 2.99Å; E464-F466 VanDerWaalsContact O-N 3.09Å | ||
| 465 | P | 37.3 | Very low | 39.7 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | -64.1 | 115.5 | 178.2 | 25.7 | -31.5 | 0 | 0 | 0 | 109.7 | T467 | P465-T467 PolarHBondContact O-N 3.29Å; P465-T467 VanDerWaalsContact O-N 3.11Å | ||
| 466 | F | 39.2 | Very low | 41 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 74% | 0.737 | 67% | 0.671 | S | S | * | * | trans | -56.3 | 113.8 | 169.8 | -62.2 | -85.2 | 0 | 0 | 0 | 109.8 | E464 V468 | E464-F466 PolarHBondContact O-N 2.99Å; E464-F466 VanDerWaalsContact O-N 3.09Å; F466-V468 PolarHBondContact O-N 3.49Å | ||
| 467 | T | 40.4 | Very low | 42 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 86% | 0.859 | 65% | 0.65 | S | S | * | * | trans | -68.9 | 105.2 | 169.8 | 3.3 | 0 | 0 | 0 | 0 | 108.4 | P465 A469 | P465-T467 PolarHBondContact O-N 3.29Å; P465-T467 VanDerWaalsContact O-N 3.11Å; T467-A469 PolarHBondContact O-N 3.19Å | ||
| 468 | V | 42.7 | Very low | 43.3 | Very low | 143 Ų | 143 | 115.2 Ų | 115.2 | 87% | 0.867 | 64% | 0.635 | S | S | * | * | trans | -74.2 | 95.2 | 171.5 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | F466 S470 | F466-V468 PolarHBondContact O-N 3.49Å; V468-S470 PolarHBondContact O-N 3.14Å | ||
| 469 | A | 39.1 | Very low | 44.5 | Very low | 42 Ų | 42 | 114.7 Ų | 114.7 | 35% | 0.347 | 63% | 0.632 | S | S | . | * | trans | -48.1 | 129.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T467 D473 | T467-A469 PolarHBondContact O-N 3.19Å; A469-D473 HydrophobicContact CB-CB 3.25Å | ||
| 470 | S | 45.6 | Very low | 45.6 | Very low | 65 Ų | 65 | 114.3 Ų | 114.3 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | trans | -49.4 | 155.1 | 163.3 | 171 | 0 | 0 | 0 | 0 | 109.6 | V468 H472 D473 A474 | V468-S470 PolarHBondContact O-N 3.14Å; S470-H472 CarbonylContact O-C 3.53Å; S470-H472 PolarHBondContact O-N 2.98Å; S470-H472 PolarHBondContact OG-N 3.15Å; S470-D473 PolarHBondContact N-OD2 3.38Å; S470-D473 VanDerWaalsContact N-OD2 3.15Å; S470-D473 WeakPolarHBondContact O-CA 3.33Å; S470-D473 WeakPolarHBondContact O-CB 3.14Å; S470-D473 PolarHBondContact O-N 2.9Å; S470-A474 PolarHBondContact O-N 2.93Å | ||
| 471 | Q | 50.3 | Low | 46.8 | Very low | 162 Ų | 162 | 110.7 Ų | 110.7 | 76% | 0.757 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51.8 | -26.4 | 174.3 | -72.7 | 178.9 | -14.6 | 0 | 0 | 112.5 | L475 | Q471-L475 WeakPolarHBondContact O-CG 3.25Å; Q471-L475 PolarHBondContact O-N 3.48Å |
| 472 | H | 48.6 | Very low | 47.6 | Very low | 137 Ų | 137 | 118.9 Ų | 118.9 | 63% | 0.634 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.9 | -40.1 | 169.7 | -77.4 | -78 | 0 | 0 | 0 | 113.9 | S470 L475 L476 | S470-H472 CarbonylContact O-C 3.53Å; S470-H472 PolarHBondContact O-N 2.98Å; S470-H472 PolarHBondContact OG-N 3.15Å; H472-L475 PolarHBondContact O-N 3.06Å; H472-L476 VanDerWaalsContact O-CB 3.3Å; H472-L476 WeakPolarHBondContact O-CB 3.42Å; H472-L476 WeakPolarHBondContact O-CD1 3.26Å; H472-L476 VanDerWaalsContact O-CG 3.22Å; H472-L476 WeakPolarHBondContact O-CG 3.18Å; H472-L476 PolarHBondContact O-N 3.43Å |
| 473 | D | 49.5 | Very low | 48 | Very low | 77 Ų | 77 | 114 Ų | 114 | 41% | 0.412 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.5 | -29.7 | 178.6 | -64.9 | -28.9 | 0 | 0 | 0 | 112 | A469 S470 S477 | A469-D473 HydrophobicContact CB-CB 3.25Å; S470-D473 PolarHBondContact N-OD2 3.38Å; S470-D473 VanDerWaalsContact N-OD2 3.15Å; S470-D473 WeakPolarHBondContact O-CA 3.33Å; S470-D473 WeakPolarHBondContact O-CB 3.14Å; S470-D473 PolarHBondContact O-N 2.9Å; D473-S477 WeakPolarHBondContact O-CB 3.32Å; D473-S477 PolarHBondContact O-N 3.34Å; D473-S477 PolarHBondContact O-OG 3.47Å |
| 474 | A | 52.5 | Low | 48.9 | Very low | 51 Ų | 51 | 112.5 Ų | 112.5 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.7 | -44.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | S470 S477 D478 | S470-A474 PolarHBondContact O-N 2.93Å; A474-S477 PolarHBondContact O-N 3.39Å; A474-D478 PolarHBondContact O-N 3.31Å |
| 475 | L | 56.1 | Low | 49.7 | Very low | 110 Ų | 110 | 111.3 Ų | 111.3 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.9 | -36.5 | 173.1 | -76.2 | 169.3 | 0 | 0 | 0 | 112.4 | Q471 H472 L479 | Q471-L475 WeakPolarHBondContact O-CG 3.25Å; Q471-L475 PolarHBondContact O-N 3.48Å; H472-L475 PolarHBondContact O-N 3.06Å; L475-L479 WeakPolarHBondContact O-CB 3.44Å; L475-L479 WeakPolarHBondContact O-CD1 3.44Å; L475-L479 PolarHBondContact O-N 3.24Å |
| 476 | L | 58.1 | Low | 50.1 | Low | 93 Ų | 93 | 109.1 Ų | 109.1 | 49% | 0.487 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.3 | -39.4 | 174.7 | -78.9 | 163.4 | 0 | 0 | 0 | 111.9 | H472 L479 L480 | H472-L476 VanDerWaalsContact O-CB 3.3Å; H472-L476 WeakPolarHBondContact O-CB 3.42Å; H472-L476 WeakPolarHBondContact O-CD1 3.26Å; H472-L476 VanDerWaalsContact O-CG 3.22Å; H472-L476 WeakPolarHBondContact O-CG 3.18Å; H472-L476 PolarHBondContact O-N 3.43Å; L476-L479 PolarHBondContact O-N 2.91Å; L476-L480 WeakPolarHBondContact O-CB 3.5Å; L476-L480 WeakPolarHBondContact O-CD1 3.3Å; L476-L480 PolarHBondContact O-N 3.06Å |
| 477 | S | 53.8 | Low | 50.4 | Low | 54 Ų | 54 | 107.1 Ų | 107.1 | 38% | 0.378 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.6 | -44.2 | 173.3 | -70.9 | 0 | 0 | 0 | 0 | 111 | D473 A474 L479 L480 H481 | D473-S477 WeakPolarHBondContact O-CB 3.32Å; D473-S477 PolarHBondContact O-N 3.34Å; D473-S477 PolarHBondContact O-OG 3.47Å; A474-S477 PolarHBondContact O-N 3.39Å; S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.5Å; S477-L480 PolarHBondContact O-N 3.41Å; S477-H481 VanDerWaalsContact O-CB 3.32Å; S477-H481 WeakPolarHBondContact O-CB 3.14Å; S477-H481 PolarHBondContact O-CD2 3.21Å; S477-H481 VanDerWaalsContact O-CG 3.27Å; S477-H481 PolarHBondContact O-N 3.44Å |
| 478 | D | 56.6 | Low | 50.9 | Low | 111 Ų | 111 | 107.3 Ų | 107.3 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.7 | -36.7 | 175.2 | -99 | 4 | 0 | 0 | 0 | 112.6 | A474 R482 | A474-D478 PolarHBondContact O-N 3.31Å; D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.27Å; D478-R482 PolarHBondContact O-N 2.94Å |
| 479 | L | 54.7 | Low | 51.3 | Low | 131 Ų | 131 | 104 Ų | 104 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.2 | -38.5 | 172.8 | -107.7 | 116.5 | 0 | 0 | 0 | 112.5 | L475 L476 S477 G483 | L475-L479 WeakPolarHBondContact O-CB 3.44Å; L475-L479 WeakPolarHBondContact O-CD1 3.44Å; L475-L479 PolarHBondContact O-N 3.24Å; L476-L479 PolarHBondContact O-N 2.91Å; S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.5Å; L479-G483 PolarHBondContact O-N 3.43Å |
| 480 | L | 57.3 | Low | 51.5 | Low | 123 Ų | 123 | 109.5 Ų | 109.5 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.1 | -42.8 | 175.9 | -106.1 | 107.7 | 0 | 0 | 0 | 111.4 | L476 S477 G483 | L476-L480 WeakPolarHBondContact O-CB 3.5Å; L476-L480 WeakPolarHBondContact O-CD1 3.3Å; L476-L480 PolarHBondContact O-N 3.06Å; S477-L480 PolarHBondContact O-N 3.41Å; L480-G483 PolarHBondContact O-N 3.35Å |
| 481 | H | 57.4 | Low | 51.4 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 53% | 0.532 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -77.3 | -25.8 | -178.7 | -67.5 | -49.3 | 0 | 0 | 0 | 113.3 | S477 G483 T484 | S477-H481 VanDerWaalsContact O-CB 3.32Å; S477-H481 WeakPolarHBondContact O-CB 3.14Å; S477-H481 PolarHBondContact O-CD2 3.21Å; S477-H481 VanDerWaalsContact O-CG 3.27Å; S477-H481 PolarHBondContact O-N 3.44Å; H481-G483 PolarHBondContact O-N 3.37Å; H481-T484 PolarHBondContact O-N 3.08Å; H481-T484 PolarHBondContact O-OG1 3.34Å |
| 482 | R | 53.2 | Low | 51.1 | Low | 216 Ų | 216 | 114.6 Ų | 114.6 | 82% | 0.815 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.9 | -23.6 | 166.3 | -89.5 | 178.9 | 156.5 | -147.3 | -4.7 | 112.9 | D478 | D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.27Å; D478-R482 PolarHBondContact O-N 2.94Å |
| 483 | G | 46.9 | Very low | 51 | Low | 36 Ų | 36 | 113.9 Ų | 113.9 | 37% | 0.371 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -17.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L479 L480 H481 | L479-G483 PolarHBondContact O-N 3.43Å; L480-G483 PolarHBondContact O-N 3.35Å; H481-G483 PolarHBondContact O-N 3.37Å |
| 484 | T | 53.8 | Low | 50.8 | Low | 102 Ų | 102 | 119.8 Ų | 119.8 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -12.8 | -174 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | H481 | H481-T484 PolarHBondContact O-N 3.08Å; H481-T484 PolarHBondContact O-OG1 3.34Å |
| 485 | N | 50.8 | Low | 50.5 | Low | 145 Ų | 145 | 122.2 Ų | 122.2 | 78% | 0.775 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -115.2 | 10.2 | -178.9 | -64.9 | -18.6 | 0 | 0 | 0 | 113.7 | N487 | N485-N487 PolarHBondContact O-N 2.94Š|
| 486 | S | 44.8 | Very low | 49.9 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 49% | 0.49 | 68% | 0.683 | S | S | . | * | trans | -75.6 | 118.8 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 487 | N | 46.7 | Very low | 49 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | -46.2 | 142.3 | 168.1 | -86.4 | -41.3 | 0 | 0 | 0 | 110.5 | N485 G489 E490 | N485-N487 PolarHBondContact O-N 2.94Å; N487-G489 PolarHBondContact O-N 3.04Å; N487-E490 PolarHBondContact O-N 3.5Å | ||
| 488 | P | 51 | Low | 48.8 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 93% | 0.929 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 22.8 | -173.6 | 26.5 | -34.3 | 0 | 0 | 0 | 115.7 | ||
| 489 | G | 50.1 | Low | 48.4 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | -3.4 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | N487 | N487-G489 PolarHBondContact O-N 3.04Š|
| 490 | E | 44.2 | Very low | 48 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -92.7 | 117.2 | 178.3 | -100.3 | 175.8 | 167.6 | 0 | 0 | 111.8 | N487 R492 | N487-E490 PolarHBondContact O-N 3.5Å; E490-R492 PolarHBondContact O-N 3.44Å; E490-R492 VanDerWaalsContact O-N 3.15Å |
| 491 | S | 42.3 | Very low | 47.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -57.8 | 114.5 | 176.8 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 492 | R | 43.7 | Very low | 46.9 | Very low | 219 Ų | 219 | 139.4 Ų | 139.4 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -49.1 | 129.7 | 169.9 | -95.4 | 178.9 | 160 | 163.3 | -5.1 | 110.4 | E490 K494 | E490-R492 PolarHBondContact O-N 3.44Å; E490-R492 VanDerWaalsContact O-N 3.15Å; R492-K494 PolarHBondContact O-N 3.23Å | ||
| 493 | P | 47.6 | Very low | 46.4 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -61.6 | 126.3 | 164.3 | 24.3 | -29.3 | 0 | 0 | 0 | 108.4 | S495 | P493-S495 PolarHBondContact O-N 2.95Å; P493-S495 VanDerWaalsContact O-N 3.08Å | ||
| 494 | K | 45.5 | Very low | 46.4 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -59.4 | 113.2 | 174.4 | -79.5 | 177.9 | 175.8 | 175.7 | 0 | 108.5 | R492 T496 | R492-K494 PolarHBondContact O-N 3.23Å; K494-T496 PolarHBondContact O-N 2.97Å | ||
| 495 | S | 46.8 | Very low | 45.8 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -65 | 116.5 | 165.9 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | P493 | P493-S495 PolarHBondContact O-N 2.95Å; P493-S495 VanDerWaalsContact O-N 3.08Å | ||
| 496 | T | 41.9 | Very low | 45.4 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -92.8 | 86.8 | 162.7 | 48.6 | 0 | 0 | 0 | 0 | 107.1 | K494 | K494-T496 PolarHBondContact O-N 2.97Š| ||
| 497 | F | 40.5 | Very low | 45.5 | Very low | 265 Ų | 265 | 151.1 Ų | 151.1 | 100% | 1.162 | 83% | 0.829 | S | S | * | * | trans | -119.4 | 0 | 159.2 | -106.7 | -75.8 | 0 | 0 | 0 | 108.5 |
Retrieved 497 of 497 residues in 570.2 ms
(Link to these results)