| 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 | 44.7 | Very low | 47.9 | Very low | 237 Ų | 237 | 150 Ų | 150 | 100% | 1.167 | 83% | 0.833 | S | S | * | * | 0 | 129.6 | 0 | -71.6 | 166 | 163.4 | 0 | 0 | 107.7 | |||||
| 2 | L | 48.3 | Very low | 48 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 94% | 0.937 | 84% | 0.836 | S | S | * | * | trans | -139.2 | 131.9 | 167.8 | -74.9 | 174.1 | 0 | 0 | 0 | 106.9 | ||||
| 3 | N | 41.2 | Very low | 48.3 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -81.1 | 142.9 | -170.4 | -76.3 | -18.5 | 0 | 0 | 0 | 112.2 | ||||
| 4 | M | 39.8 | Very low | 48.4 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 131.3 | 149.2 | -69.5 | -165 | 74.1 | 0 | 0 | 108.7 | ||||
| 5 | S | 52.8 | Low | 48.5 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -114.3 | 106.4 | 171.5 | -64.9 | 0 | 0 | 0 | 0 | 108.9 | L7 | S5-L7 PolarHBondContact O-N 2.87Š| ||
| 6 | T | 50 | Low | 48.7 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 83% | 0.828 | 75% | 0.748 | S | S | * | * | trans | -67.2 | 118.5 | -176.9 | -48.6 | 0 | 0 | 0 | 0 | 111 | Q8 | T6-Q8 PolarHBondContact O-N 3.06Å; T6-Q8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | L | 39.1 | Very low | 48.3 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -79.9 | 96 | 179.7 | -156.5 | 84.2 | 0 | 0 | 0 | 110.9 | S5 V9 | S5-L7 PolarHBondContact O-N 2.87Å; L7-V9 PolarHBondContact O-N 3.38Å | ||
| 8 | Q | 50.9 | Low | 48.7 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | -82.2 | 96.7 | -178 | -169.7 | 174.5 | 8 | 0 | 0 | 111.4 | T6 G10 | T6-Q8 PolarHBondContact O-N 3.06Å; T6-Q8 VanDerWaalsContact O-N 3.13Å; Q8-G10 PolarHBondContact O-N 3.43Å | ||
| 9 | V | 55.7 | Low | 49.1 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -78.5 | 99.1 | 178 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | L7 I11 | L7-V9 PolarHBondContact O-N 3.38Å; V9-I11 PolarHBondContact O-N 2.69Å | ||
| 10 | G | 49.2 | Very low | 49.1 | Very low | 70 Ų | 70 | 133.3 Ų | 133.3 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | -71.6 | 117.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q8 M12 | Q8-G10 PolarHBondContact O-N 3.43Å; G10-M12 PolarHBondContact O-N 3.18Å | ||
| 11 | I | 55.8 | Low | 48.5 | Very low | 131 Ų | 131 | 136 Ų | 136 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | trans | -86.9 | 105.5 | 172.2 | -56.7 | 176.2 | 0 | 0 | 0 | 108.5 | V9 V13 | V9-I11 PolarHBondContact O-N 2.69Å; I11-V13 HydrophobicContact CG2-CG2 4Å | ||
| 12 | M | 49.2 | Very low | 48.2 | Very low | 177 Ų | 177 | 129 Ų | 129 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | trans | -80.4 | 125.8 | 172.6 | -161.4 | 172.2 | 77.5 | 0 | 0 | 110.1 | G10 | G10-M12 PolarHBondContact O-N 3.18Š| ||
| 13 | V | 51.6 | Low | 47.9 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 40% | 0.4 | 68% | 0.68 | S | S | . | * | trans | -122.9 | 116.6 | 177.3 | -175 | 0 | 0 | 0 | 0 | 108.1 | I11 I15 | I11-V13 HydrophobicContact CG2-CG2 4Å; V13-I15 HydrophobicContact CG1-CD1 4.49Å; V13-I15 HydrophobicContact CG1-CG1 3.9Å | ||
| 14 | D | 49.9 | Very low | 47.7 | Very low | 78 Ų | 78 | 122.7 Ų | 122.7 | 42% | 0.417 | 67% | 0.668 | S | S | . | * | trans | -77.3 | 129.2 | 166.4 | -172 | 6.2 | 0 | 0 | 0 | 108 | R16 | D14-R16 IonicContact OD2-CZ 3.3Å; D14-R16 IonicContact OD2-NE 2.74Å; D14-R16 PolarHBondContact OD2-NE 2.89Å; D14-R16 IonicContact OD2-NH2 2.94Å; D14-R16 PolarHBondContact OD2-NH2 2.94Å | ||
| 15 | I | 49 | Very low | 48 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 99.7 | -179.5 | -57.4 | 179.5 | 0 | 0 | 0 | 107.6 | V13 V17 V22 | V13-I15 HydrophobicContact CG1-CD1 4.49Å; V13-I15 HydrophobicContact CG1-CG1 3.9Å; I15-V17 HydrophobicContact CG2-CG2 4.23Å; I15-V22 HydrophobicContact CG2-CG1 3.87Å |
| 16 | R | 51.8 | Low | 47.7 | Very low | 153 Ų | 153 | 114.9 Ų | 114.9 | 58% | 0.577 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 112.5 | 175.1 | -63.7 | -176.1 | -171 | -168.5 | 2.6 | 109.1 | D14 I23 | D14-R16 IonicContact OD2-CZ 3.3Å; D14-R16 IonicContact OD2-NE 2.74Å; D14-R16 PolarHBondContact OD2-NE 2.89Å; D14-R16 IonicContact OD2-NH2 2.94Å; D14-R16 PolarHBondContact OD2-NH2 2.94Å; R16-I23 PolarHBondContact N-O 2.92Å; R16-I23 PolarHBondContact O-N 3.48Å |
| 17 | V | 41.7 | Very low | 47.9 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 67% | 0.667 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 102.4 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | I15 V22 | I15-V17 HydrophobicContact CG2-CG2 4.23Å; V17-V22 HydrophobicContact CG2-CG2 4.37Å |
| 18 | D | 56.7 | Low | 48.5 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 52% | 0.519 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 152.2 | 160.5 | -162.3 | -28.2 | 0 | 0 | 0 | 108.2 | T20 R21 | D18-T20 PolarHBondContact O-N 3.18Å; D18-R21 PolarHBondContact N-O 3.33Å; D18-R21 PolarHBondContact O-N 2.85Å |
| 19 | S | 55.4 | Low | 48.7 | Very low | 113 Ų | 113 | 110.8 Ų | 110.8 | 79% | 0.79 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.6 | -18.8 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 20 | T | 49.3 | Very low | 49 | Very low | 118 Ų | 118 | 107 Ų | 107 | 72% | 0.724 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | -9.4 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | D18 | D18-T20 PolarHBondContact O-N 3.18Š|
| 21 | R | 37.1 | Very low | 50 | Low | 191 Ų | 191 | 109.1 Ų | 109.1 | 72% | 0.721 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -152.4 | 138.3 | -173.2 | -63.7 | -172.6 | -178.6 | -179 | 1 | 112.7 | D18 | D18-R21 PolarHBondContact N-O 3.33Å; D18-R21 PolarHBondContact O-N 2.85Å |
| 22 | V | 37.1 | Very low | 50.8 | Low | 91 Ų | 91 | 107.6 Ų | 107.6 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 124.8 | 166.6 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | I15 V17 L24 | I15-V22 HydrophobicContact CG2-CG1 3.87Å; V17-V22 HydrophobicContact CG2-CG2 4.37Å; V22-L24 HydrophobicContact CG1-CD1 4.01Å |
| 23 | I | 42.6 | Very low | 52.1 | Low | 89 Ų | 89 | 101.7 Ų | 101.7 | 46% | 0.456 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.1 | 176.6 | -58.4 | 178 | 0 | 0 | 0 | 108.6 | R16 | R16-I23 PolarHBondContact N-O 2.92Å; R16-I23 PolarHBondContact O-N 3.48Å |
| 24 | L | 38 | Very low | 53.3 | Low | 108 Ų | 108 | 103.7 Ų | 103.7 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 93.8 | 171 | -86.3 | 81 | 0 | 0 | 0 | 109.8 | V22 T26 | V22-L24 HydrophobicContact CG1-CD1 4.01Å; L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 3.17Å |
| 25 | D | 44.8 | Very low | 54.5 | Low | 100 Ų | 100 | 102.4 Ų | 102.4 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | trans | -74.3 | 81.6 | 171.4 | -98 | -49.1 | 0 | 0 | 0 | 110.9 | T27 | D25-T27 PolarHBondContact O-N 2.88Š| ||
| 26 | T | 47.6 | Very low | 56 | Low | 30 Ų | 30 | 105.5 Ų | 105.5 | 18% | 0.184 | 55% | 0.548 | C | S | . | . | trans | -73.1 | 112.6 | 174 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | L24 N30 K31 | L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 3.17Å; T26-N30 HydrophobicContact CG2-CB 4.45Å; T26-K31 VanDerWaalsContact O-CE 3.26Å; T26-K31 WeakPolarHBondContact O-CE 3.24Å | ||
| 27 | T | 53.5 | Low | 57.5 | Low | 92 Ų | 92 | 100.8 Ų | 100.8 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | trans | -56.7 | 159.6 | 174.9 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | D25 A29 N30 K31 | D25-T27 PolarHBondContact O-N 2.88Å; T27-A29 PolarHBondContact O-N 2.93Å; T27-N30 WeakPolarHBondContact O-CA 3.28Å; T27-N30 WeakPolarHBondContact O-CB 3.48Å; T27-N30 PolarHBondContact O-N 3.33Å; T27-K31 PolarHBondContact O-N 3Å | ||
| 28 | R | 52.4 | Low | 59.5 | Low | 221 Ų | 221 | 104.7 Ų | 104.7 | 83% | 0.834 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -54.8 | -31.1 | -174 | -161.8 | 177.1 | -170.8 | 174.5 | 4.4 | 113.8 | ||
| 29 | A | 54 | Low | 60.7 | Low | 75 Ų | 75 | 102.2 Ų | 102.2 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -41.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T27 N32 A33 | T27-A29 PolarHBondContact O-N 2.93Å; A29-N32 PolarHBondContact O-N 3.24Å; A29-A33 PolarHBondContact O-N 3.5Å |
| 30 | N | 61.7 | Low | 62 | Low | 35 Ų | 35 | 98.7 Ų | 98.7 | 19% | 0.187 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -70.3 | -34.8 | 178.8 | -167.3 | -15.4 | 0 | 0 | 0 | 111.7 | T26 T27 N32 A33 L34 | T26-N30 HydrophobicContact CG2-CB 4.45Å; T27-N30 WeakPolarHBondContact O-CA 3.28Å; T27-N30 WeakPolarHBondContact O-CB 3.48Å; T27-N30 PolarHBondContact O-N 3.33Å; N30-N32 PolarHBondContact O-N 3.18Å; N30-A33 WeakPolarHBondContact O-CB 3.47Å; N30-A33 PolarHBondContact O-N 3.44Å; N30-L34 PolarHBondContact O-N 3.13Å |
| 31 | K | 70.1 | Confident | 63.6 | Low | 114 Ų | 114 | 97.2 Ų | 97.2 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -54.4 | -37.6 | 172 | -66.6 | -170.8 | 178.9 | -173.2 | 0 | 112.8 | T26 T27 C35 | T26-K31 VanDerWaalsContact O-CE 3.26Å; T26-K31 WeakPolarHBondContact O-CE 3.24Å; T27-K31 PolarHBondContact O-N 3Å; K31-C35 WeakPolarHBondContact O-CB 3.42Å; K31-C35 PolarHBondContact O-N 2.91Å; K31-C35 VanDerWaalsContact O-N 3.08Å |
| 32 | N | 73.7 | Confident | 65.6 | Low | 99 Ų | 99 | 93.1 Ų | 93.1 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 174.3 | -72.7 | -10.7 | 0 | 0 | 0 | 112.6 | A29 N30 C35 R36 | A29-N32 PolarHBondContact O-N 3.24Å; N30-N32 PolarHBondContact O-N 3.18Å; N32-C35 PolarHBondContact O-N 3.5Å; N32-R36 WeakPolarHBondContact O-CG 3.35Å; N32-R36 PolarHBondContact O-N 3.43Å |
| 33 | A | 75.5 | Confident | 67.7 | Low | 53 Ų | 53 | 93.7 Ų | 93.7 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A29 N30 C35 R36 A37 | A29-A33 PolarHBondContact O-N 3.5Å; N30-A33 WeakPolarHBondContact O-CB 3.47Å; N30-A33 PolarHBondContact O-N 3.44Å; A33-C35 VanDerWaalsContact C-N 3.33Å; A33-C35 PolarHBondContact O-N 3.09Å; A33-R36 PolarHBondContact O-N 3.49Å; A33-A37 WeakPolarHBondContact O-CB 3.38Å; A33-A37 PolarHBondContact O-N 3.45Å |
| 34 | L | 77.1 | Confident | 69.7 | Low | 107 Ų | 107 | 95.2 Ų | 95.2 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 175.7 | -176.3 | 63.3 | 0 | 0 | 0 | 112.1 | N30 R38 | N30-L34 PolarHBondContact O-N 3.13Å; L34-R38 WeakPolarHBondContact O-CB 3.43Å; L34-R38 PolarHBondContact O-N 2.87Å |
| 35 | C | 76.5 | Confident | 71.7 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 112 | K31 N32 A33 A37 R38 C39 | K31-C35 WeakPolarHBondContact O-CB 3.42Å; K31-C35 PolarHBondContact O-N 2.91Å; K31-C35 VanDerWaalsContact O-N 3.08Å; N32-C35 PolarHBondContact O-N 3.5Å; A33-C35 VanDerWaalsContact C-N 3.33Å; A33-C35 PolarHBondContact O-N 3.09Å; C35-A37 PolarHBondContact O-N 2.94Å; C35-R38 PolarHBondContact O-N 3.3Å; C35-C39 PolarHBondContact O-N 3.39Å |
| 36 | R | 80.4 | Confident | 73.3 | Confident | 167 Ų | 167 | 94.5 Ų | 94.5 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.9 | -47.1 | 174.5 | -74.4 | 178.6 | 179.3 | -163.5 | -0.7 | 111.8 | N32 A33 R38 C39 A40 | N32-R36 WeakPolarHBondContact O-CG 3.35Å; N32-R36 PolarHBondContact O-N 3.43Å; A33-R36 PolarHBondContact O-N 3.49Å; R36-R38 PolarHBondContact O-N 3.09Å; R36-C39 PolarHBondContact O-N 3.38Å; R36-A40 PolarHBondContact O-N 3.32Å |
| 37 | A | 81.7 | Confident | 74.5 | Confident | 55 Ų | 55 | 99.7 Ų | 99.7 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A33 C35 C39 A40 E41 | A33-A37 WeakPolarHBondContact O-CB 3.38Å; A33-A37 PolarHBondContact O-N 3.45Å; C35-A37 PolarHBondContact O-N 2.94Å; A37-C39 PolarHBondContact O-N 3.41Å; A37-A40 PolarHBondContact O-N 3.01Å; A37-E41 PolarHBondContact O-N 2.91Å |
| 38 | R | 84.5 | Confident | 75.2 | Confident | 191 Ų | 191 | 100.9 Ų | 100.9 | 72% | 0.721 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -36.6 | 179 | -165.2 | 171 | -174.7 | 165.7 | 1.6 | 112.9 | L34 C35 R36 M42 | L34-R38 WeakPolarHBondContact O-CB 3.43Å; L34-R38 PolarHBondContact O-N 2.87Å; C35-R38 PolarHBondContact O-N 3.3Å; R36-R38 PolarHBondContact O-N 3.09Å; R38-M42 WeakPolarHBondContact O-CG 3.32Å; R38-M42 PolarHBondContact O-N 2.98Å; R38-M42 VanDerWaalsContact O-N 3.15Å |
| 39 | C | 81.8 | Confident | 76 | Confident | 46 Ų | 46 | 96.7 Ų | 96.7 | 31% | 0.311 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 171.9 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | C35 R36 A37 E41 M42 L43 | C35-C39 PolarHBondContact O-N 3.39Å; R36-C39 PolarHBondContact O-N 3.38Å; A37-C39 PolarHBondContact O-N 3.41Å; C39-E41 VanDerWaalsContact C-N 3.35Å; C39-E41 PolarHBondContact O-N 3.46Å; C39-M42 PolarHBondContact O-N 3Å; C39-L43 WeakPolarHBondContact O-CG 3.45Å; C39-L43 PolarHBondContact O-N 3.34Å |
| 40 | A | 82.9 | Confident | 76.5 | Confident | 38 Ų | 38 | 98.8 Ų | 98.8 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R36 A37 L43 K44 | R36-A40 PolarHBondContact O-N 3.32Å; A37-A40 PolarHBondContact O-N 3.01Å; A40-L43 PolarHBondContact O-N 3.05Å; A40-K44 WeakPolarHBondContact O-CG 3.33Å; A40-K44 PolarHBondContact O-N 3.18Å |
| 41 | E | 82.2 | Confident | 76.4 | Confident | 88 Ų | 88 | 101.8 Ų | 101.8 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 175.2 | -70.8 | -53.9 | 130.2 | 0 | 0 | 113.2 | A37 C39 L43 K44 Q45 | A37-E41 PolarHBondContact O-N 2.91Å; C39-E41 VanDerWaalsContact C-N 3.35Å; C39-E41 PolarHBondContact O-N 3.46Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 3.29Å; E41-K44 PolarHBondContact O-N 2.93Å; E41-K44 WeakPolarHBondContact OE1-CD 3.38Å; E41-K44 WeakPolarHBondContact OE1-CE 3.38Å; E41-K44 IonicContact OE1-NZ 3.4Å; E41-K44 PolarHBondContact OE1-NZ 2.9Å; E41-Q45 WeakPolarHBondContact O-CG 3.41Å; E41-Q45 PolarHBondContact O-N 3.27Å |
| 42 | M | 79.2 | Confident | 75.8 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 173.9 | -70.8 | -169.3 | -56.1 | 0 | 0 | 112.1 | R38 C39 Q45 S46 | R38-M42 WeakPolarHBondContact O-CG 3.32Å; R38-M42 PolarHBondContact O-N 2.98Å; R38-M42 VanDerWaalsContact O-N 3.15Å; C39-M42 PolarHBondContact O-N 3Å; M42-Q45 PolarHBondContact O-N 2.93Å; M42-S46 PolarHBondContact O-N 2.72Å |
| 43 | L | 82.2 | Confident | 75 | Confident | 103 Ų | 103 | 103 Ų | 103 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 175.8 | -71.9 | 169.7 | 0 | 0 | 0 | 111.4 | C39 A40 E41 Q45 S46 Y47 | C39-L43 WeakPolarHBondContact O-CG 3.45Å; C39-L43 PolarHBondContact O-N 3.34Å; A40-L43 PolarHBondContact O-N 3.05Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 3.29Å; L43-Q45 VanDerWaalsContact C-N 3.32Å; L43-Q45 PolarHBondContact O-N 3.5Å; L43-S46 PolarHBondContact O-N 3.01Å; L43-S46 VanDerWaalsContact O-N 3.15Å; L43-S46 PolarHBondContact O-OG 3.38Å; L43-Y47 PolarHBondContact O-N 2.93Å |
| 44 | K | 84.5 | Confident | 73.9 | Confident | 120 Ų | 120 | 104.1 Ų | 104.1 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -53.9 | -47.2 | 172.4 | -71.1 | 174.4 | -173.7 | 174.6 | 0 | 112.1 | A40 E41 S46 Y47 M48 | A40-K44 WeakPolarHBondContact O-CG 3.33Å; A40-K44 PolarHBondContact O-N 3.18Å; E41-K44 PolarHBondContact O-N 2.93Å; E41-K44 WeakPolarHBondContact OE1-CD 3.38Å; E41-K44 WeakPolarHBondContact OE1-CE 3.38Å; E41-K44 IonicContact OE1-NZ 3.4Å; E41-K44 PolarHBondContact OE1-NZ 2.9Å; K44-S46 VanDerWaalsContact C-N 3.32Å; K44-S46 PolarHBondContact O-N 3.38Å; K44-Y47 PolarHBondContact O-N 3.13Å; K44-M48 VanDerWaalsContact O-CG 3.25Å; K44-M48 WeakPolarHBondContact O-CG 3.42Å; K44-M48 PolarHBondContact O-N 2.76Å |
| 45 | Q | 80.8 | Confident | 72.6 | Confident | 132 Ų | 132 | 102 Ų | 102 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -36.1 | 179.4 | -72.3 | 178.5 | 17 | 0 | 0 | 112.7 | E41 M42 L43 Q49 | E41-Q45 WeakPolarHBondContact O-CG 3.41Å; E41-Q45 PolarHBondContact O-N 3.27Å; M42-Q45 PolarHBondContact O-N 2.93Å; L43-Q45 VanDerWaalsContact C-N 3.32Å; L43-Q45 PolarHBondContact O-N 3.5Å; Q45-Q49 PolarHBondContact O-N 3.37Å |
| 46 | S | 77.5 | Confident | 71.2 | Confident | 62 Ų | 62 | 108.1 Ų | 108.1 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 174.9 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | M42 L43 K44 Q49 E50 | M42-S46 PolarHBondContact O-N 2.72Å; L43-S46 PolarHBondContact O-N 3.01Å; L43-S46 VanDerWaalsContact O-N 3.15Å; L43-S46 PolarHBondContact O-OG 3.38Å; K44-S46 VanDerWaalsContact C-N 3.32Å; K44-S46 PolarHBondContact O-N 3.38Å; S46-Q49 WeakPolarHBondContact O-CB 3.39Å; S46-Q49 PolarHBondContact O-N 3.43Å; S46-Q49 VanDerWaalsContact O-N 3.15Å; S46-E50 WeakPolarHBondContact O-CG 3.37Å; S46-E50 PolarHBondContact O-N 2.92Å |
| 47 | Y | 72.5 | Confident | 69.6 | Low | 138 Ų | 138 | 102.8 Ų | 102.8 | 54% | 0.541 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 179.3 | -171.7 | -90.7 | 0 | 0 | 0 | 112.1 | L43 K44 Q49 E50 E51 | L43-Y47 PolarHBondContact O-N 2.93Å; K44-Y47 PolarHBondContact O-N 3.13Å; Y47-Q49 PolarHBondContact O-N 3.48Å; Y47-Q49 VanDerWaalsContact O-N 3.15Å; Y47-E50 WeakPolarHBondContact O-CB 3.37Å; Y47-E50 PolarHBondContact O-N 2.93Å; Y47-E51 HydrophobicContact CD1-CG 4.36Å; Y47-E51 VanDerWaalsContact CE1-CD 3.49Å; Y47-E51 HydrophobicContact CE1-CG 3.93Å; Y47-E51 VanDerWaalsContact CE1-OE1 3.26Å; Y47-E51 WeakPolarHBondContact CE1-OE1 3.44Å; Y47-E51 PolarHBondContact O-N 2.91Å; Y47-E51 PolarHBondContact OH-OE1 3.5Å |
| 48 | M | 68.9 | Low | 68.2 | Low | 118 Ų | 118 | 103.2 Ų | 103.2 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.2 | -28.2 | 174.1 | -67.5 | -71.6 | -67.4 | 0 | 0 | 112.8 | K44 E50 | K44-M48 VanDerWaalsContact O-CG 3.25Å; K44-M48 WeakPolarHBondContact O-CG 3.42Å; K44-M48 PolarHBondContact O-N 2.76Å; M48-E50 VanDerWaalsContact C-N 3.35Å |
| 49 | Q | 69 | Low | 66.6 | Low | 132 Ų | 132 | 97.9 Ų | 97.9 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -80.3 | -14.2 | 176.5 | -163.4 | 176.1 | 108.1 | 0 | 0 | 112.9 | Q45 S46 Y47 K53 | Q45-Q49 PolarHBondContact O-N 3.37Å; S46-Q49 WeakPolarHBondContact O-CB 3.39Å; S46-Q49 PolarHBondContact O-N 3.43Å; S46-Q49 VanDerWaalsContact O-N 3.15Å; Y47-Q49 PolarHBondContact O-N 3.48Å; Y47-Q49 VanDerWaalsContact O-N 3.15Å; Q49-K53 WeakPolarHBondContact O-CE 3.42Å; Q49-K53 WeakPolarHBondContact O-CG 3.4Å |
| 50 | E | 64.2 | Low | 65.1 | Low | 119 Ų | 119 | 98.4 Ų | 98.4 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -89 | -41.7 | 176.2 | -59.2 | -108.2 | 100.1 | 0 | 0 | 111.3 | S46 Y47 M48 L52 K53 S54 | S46-E50 WeakPolarHBondContact O-CG 3.37Å; S46-E50 PolarHBondContact O-N 2.92Å; Y47-E50 WeakPolarHBondContact O-CB 3.37Å; Y47-E50 PolarHBondContact O-N 2.93Å; M48-E50 VanDerWaalsContact C-N 3.35Å; E50-L52 VanDerWaalsContact C-N 3.28Å; E50-L52 PolarHBondContact O-N 2.86Å; E50-K53 WeakPolarHBondContact O-CB 3.13Å; E50-K53 PolarHBondContact O-N 3.27Å; E50-K53 IonicContact OE1-NZ 3.06Å; E50-K53 PolarHBondContact OE1-NZ 2.92Å; E50-S54 PolarHBondContact O-N 3.44Å |
| 51 | E | 59.9 | Low | 63.7 | Low | 99 Ų | 99 | 102.2 Ų | 102.2 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 176.6 | -65.3 | -169 | 139.7 | 0 | 0 | 111.8 | Y47 K53 S54 D55 | Y47-E51 HydrophobicContact CD1-CG 4.36Å; Y47-E51 VanDerWaalsContact CE1-CD 3.49Å; Y47-E51 HydrophobicContact CE1-CG 3.93Å; Y47-E51 VanDerWaalsContact CE1-OE1 3.26Å; Y47-E51 WeakPolarHBondContact CE1-OE1 3.44Å; Y47-E51 PolarHBondContact O-N 2.91Å; Y47-E51 PolarHBondContact OH-OE1 3.5Å; E51-K53 PolarHBondContact O-N 2.91Å; E51-S54 WeakPolarHBondContact O-CB 3.14Å; E51-S54 PolarHBondContact O-N 3.31Å; E51-S54 VanDerWaalsContact O-N 3.13Å; E51-D55 PolarHBondContact O-N 3.14Å |
| 52 | L | 57.3 | Low | 62.2 | Low | 134 Ų | 134 | 103.4 Ų | 103.4 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -20.6 | 174.2 | -85.4 | 163.8 | 0 | 0 | 0 | 114.6 | E50 | E50-L52 VanDerWaalsContact C-N 3.28Å; E50-L52 PolarHBondContact O-N 2.86Å |
| 53 | K | 57.2 | Low | 60.9 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 46% | 0.457 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -82.6 | -34.1 | 172.6 | -60.4 | 167.1 | -163.2 | 160.1 | 0 | 111.7 | Q49 E50 E51 D55 Y56 A57 | Q49-K53 WeakPolarHBondContact O-CE 3.42Å; Q49-K53 WeakPolarHBondContact O-CG 3.4Å; E50-K53 WeakPolarHBondContact O-CB 3.13Å; E50-K53 PolarHBondContact O-N 3.27Å; E50-K53 IonicContact OE1-NZ 3.06Å; E50-K53 PolarHBondContact OE1-NZ 2.92Å; E51-K53 PolarHBondContact O-N 2.91Å; K53-D55 PolarHBondContact O-N 3.07Å; K53-Y56 WeakPolarHBondContact O-CB 3.44Å; K53-Y56 PolarHBondContact O-N 2.78Å; K53-A57 PolarHBondContact O-N 2.94Å |
| 54 | S | 51.6 | Low | 59.5 | Low | 75 Ų | 75 | 103.2 Ų | 103.2 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | -179.8 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | E50 E51 Y56 A57 T58 | E50-S54 PolarHBondContact O-N 3.44Å; E51-S54 WeakPolarHBondContact O-CB 3.14Å; E51-S54 PolarHBondContact O-N 3.31Å; E51-S54 VanDerWaalsContact O-N 3.13Å; S54-Y56 VanDerWaalsContact C-N 3.35Å; S54-Y56 PolarHBondContact O-N 2.99Å; S54-A57 PolarHBondContact O-N 3.31Å; S54-T58 WeakPolarHBondContact O-CB 3.4Å; S54-T58 PolarHBondContact O-N 2.74Å; S54-T58 PolarHBondContact O-OG1 2.99Å |
| 55 | D | 49.2 | Very low | 57.9 | Low | 62 Ų | 62 | 101.4 Ų | 101.4 | 33% | 0.332 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 175.7 | -95.3 | -22.3 | 0 | 0 | 0 | 113.2 | E51 K53 T58 S59 K184 | E51-D55 PolarHBondContact O-N 3.14Å; K53-D55 PolarHBondContact O-N 3.07Å; D55-T58 PolarHBondContact O-N 2.97Å; D55-S59 PolarHBondContact O-N 3.35Å; D55-S59 PolarHBondContact O-OG 2.97Å; D55-K184 WeakPolarHBondContact OD1-CE 3.43Å; D55-K184 IonicContact OD1-NZ 3.64Å; D55-K184 PolarHBondContact OD1-NZ 3.18Å; D55-K184 IonicContact OD2-NZ 3.69Å; D55-K184 PolarHBondContact OD2-NZ 3.45Å |
| 56 | Y | 47.7 | Very low | 56.5 | Low | 182 Ų | 182 | 103.3 Ų | 103.3 | 71% | 0.714 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.4 | -45 | 176.9 | -170.1 | -103.7 | 0 | 0 | 0 | 111.3 | K53 S54 S59 A60 | K53-Y56 WeakPolarHBondContact O-CB 3.44Å; K53-Y56 PolarHBondContact O-N 2.78Å; S54-Y56 VanDerWaalsContact C-N 3.35Å; S54-Y56 PolarHBondContact O-N 2.99Å; Y56-S59 PolarHBondContact O-N 3.44Å; Y56-A60 PolarHBondContact O-N 2.88Å |
| 57 | A | 48.1 | Very low | 55.3 | Low | 54 Ų | 54 | 103 Ų | 103 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K53 S54 S59 A60 I61 | K53-A57 PolarHBondContact O-N 2.94Å; S54-A57 PolarHBondContact O-N 3.31Å; A57-S59 PolarHBondContact O-N 3.4Å; A57-A60 PolarHBondContact O-N 3.42Å; A57-I61 WeakPolarHBondContact O-CD1 3.44Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å |
| 58 | T | 51.3 | Low | 54.4 | Low | 65 Ų | 65 | 98.2 Ų | 98.2 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -29.7 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | S54 D55 N62 | S54-T58 WeakPolarHBondContact O-CB 3.4Å; S54-T58 PolarHBondContact O-N 2.74Å; S54-T58 PolarHBondContact O-OG1 2.99Å; D55-T58 PolarHBondContact O-N 2.97Å; T58-N62 PolarHBondContact O-ND2 2.85Å |
| 59 | S | 49.8 | Very low | 54 | Low | 78 Ų | 78 | 100 Ų | 100 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 177.8 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | D55 Y56 A57 I61 | D55-S59 PolarHBondContact O-N 3.35Å; D55-S59 PolarHBondContact O-OG 2.97Å; Y56-S59 PolarHBondContact O-N 3.44Å; A57-S59 PolarHBondContact O-N 3.4Å; S59-I61 VanDerWaalsContact C-N 3.27Å; S59-I61 PolarHBondContact O-N 2.94Å |
| 60 | A | 51.1 | Low | 54.3 | Low | 58 Ų | 58 | 102.2 Ų | 102.2 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74 | -12.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y56 A57 | Y56-A60 PolarHBondContact O-N 2.88Å; A57-A60 PolarHBondContact O-N 3.42Å |
| 61 | I | 54.5 | Low | 55.6 | Low | 118 Ų | 118 | 107.5 Ų | 107.5 | 61% | 0.605 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -91.6 | -20.7 | -175.4 | -67.7 | 167 | 0 | 0 | 0 | 112.4 | A57 S59 | A57-I61 WeakPolarHBondContact O-CD1 3.44Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; S59-I61 VanDerWaalsContact C-N 3.27Å; S59-I61 PolarHBondContact O-N 2.94Å |
| 62 | N | 50.8 | Low | 57.3 | Low | 112 Ų | 112 | 103.1 Ų | 103.1 | 60% | 0.599 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -97.7 | -5.2 | -169.8 | -74.1 | -75.7 | 0 | 0 | 0 | 115 | T58 V64 | T58-N62 PolarHBondContact O-ND2 2.85Å; N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.28Å |
| 63 | D | 50 | Low | 59 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | trans | -93.7 | 35.2 | -177.9 | -155 | 10.9 | 0 | 0 | 0 | 113.2 | S65 | D63-S65 PolarHBondContact O-N 3.2Š| ||
| 64 | V | 53.1 | Low | 60.8 | Low | 110 Ų | 110 | 106.4 Ų | 106.4 | 67% | 0.667 | 56% | 0.563 | S | S | * | * | trans | -80.1 | 57.9 | 174.2 | -169.2 | 0 | 0 | 0 | 0 | 109.6 | N62 F66 | N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.28Å; V64-F66 PolarHBondContact O-N 3.04Å; V64-F66 VanDerWaalsContact O-N 3.17Å | ||
| 65 | S | 50.8 | Low | 62.7 | Low | 83 Ų | 83 | 105 Ų | 105 | 58% | 0.58 | 55% | 0.548 | S | S | * | . | trans | -69.3 | 107.8 | 174.4 | -72.6 | 0 | 0 | 0 | 0 | 109.6 | D63 S67 | D63-S65 PolarHBondContact O-N 3.2Å; S65-S67 PolarHBondContact O-N 3.38Å | ||
| 66 | F | 52.1 | Low | 64.8 | Low | 171 Ų | 171 | 106.4 Ų | 106.4 | 75% | 0.75 | 56% | 0.563 | S | S | * | * | trans | -57.1 | 82 | -167.8 | -111.2 | -114.9 | 0 | 0 | 0 | 115.4 | V64 G68 | V64-F66 PolarHBondContact O-N 3.04Å; V64-F66 VanDerWaalsContact O-N 3.17Å; F66-G68 PolarHBondContact O-N 3.06Å | ||
| 67 | S | 52.7 | Low | 67 | Low | 55 Ų | 55 | 101.6 Ų | 101.6 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | trans | -74.2 | 72.2 | 152.2 | 49.9 | 0 | 0 | 0 | 0 | 108.6 | S65 Q82 | S65-S67 PolarHBondContact O-N 3.38Å; S67-Q82 PolarHBondContact OG-OE1 3.47Å | ||
| 68 | G | 53.3 | Low | 69.2 | Low | 38 Ų | 38 | 99.6 Ų | 99.6 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128.4 | -151.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | F66 K70 | F66-G68 PolarHBondContact O-N 3.06Å; G68-K70 PolarHBondContact O-N 3.46Å |
| 69 | N | 60.3 | Low | 71.2 | Confident | 156 Ų | 156 | 102.7 Ų | 102.7 | 83% | 0.834 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 1.6 | 160.7 | -68.9 | 2.9 | 0 | 0 | 0 | 119.6 | R71 | N69-R71 PolarHBondContact O-N 3.21Š|
| 70 | K | 75.7 | Confident | 73.2 | Confident | 179 Ų | 179 | 102.7 Ų | 102.7 | 78% | 0.778 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -73 | 119.7 | 171.5 | -69.5 | -175.4 | 178.5 | -176.6 | 0 | 109.4 | G68 C72 | G68-K70 PolarHBondContact O-N 3.46Å; K70-C72 PolarHBondContact O-N 2.88Å |
| 71 | R | 90.6 | Very high | 75.1 | Confident | 229 Ų | 229 | 107.5 Ų | 107.5 | 86% | 0.864 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 127.3 | 166.4 | -57.1 | -170.9 | -152.3 | 171.2 | 6.8 | 108.5 | N69 G87 | N69-R71 PolarHBondContact O-N 3.21Å; R71-G87 VanDerWaalsContact CA-O 3.24Å; R71-G87 WeakPolarHBondContact CA-O 3.48Å |
| 72 | C | 95.5 | Very high | 77.1 | Confident | 8 Ų | 8 | 103.6 Ų | 103.6 | 5% | 0.054 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 161.5 | 171.4 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | K70 D77 C84 G87 A88 | K70-C72 PolarHBondContact O-N 2.88Å; C72-D77 HydrophobicContact CB-CB 3.59Å; C72-C84 HydrophobicContact CB-CB 3.64Å; C72-C84 WeakPolarHBondContact CB-SG 3.48Å; C72-C84 WeakPolarHBondContact SG-CA 3.41Å; C72-C84 WeakPolarHBondContact SG-CB 3.31Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 2.97Å; C72-G87 PolarHBondContact N-O 3.4Å; C72-G87 PolarHBondContact SG-O 3.04Å; C72-A88 PolarHBondContact SG-N 3.43Å |
| 73 | K | 93.5 | Very high | 79.1 | Confident | 197 Ų | 197 | 100.6 Ų | 100.6 | 86% | 0.857 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -119.8 | -36.2 | 168 | -64.7 | 178.5 | -179.7 | 176.9 | 0 | 111 | D77 | K73-D77 PolarHBondContact N-OD2 3.27Š|
| 74 | E | 94.3 | Very high | 81.3 | Confident | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -129.4 | 161.3 | -175.4 | 49.9 | -178.8 | -115.7 | 0 | 0 | 110.7 | S76 D77 C84 | E74-S76 VanDerWaalsContact CD-OG 3.26Å; E74-S76 WeakPolarHBondContact CG-OG 3.38Å; E74-S76 PolarHBondContact O-N 2.95Å; E74-S76 WeakPolarHBondContact OE1-CB 3.41Å; E74-S76 PolarHBondContact OE1-OG 3.47Å; E74-D77 WeakPolarHBondContact CG-OD2 3.4Å; E74-D77 PolarHBondContact N-OD2 3.16Å; E74-D77 WeakPolarHBondContact O-CB 3.37Å; E74-D77 PolarHBondContact O-N 3.33Å; E74-D77 VanDerWaalsContact O-N 3.14Å; E74-C84 WeakPolarHBondContact O-CB 3.39Å |
| 75 | H | 91.9 | Very high | 83.2 | Confident | 47 Ų | 47 | 94.4 Ų | 94.4 | 22% | 0.218 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -63.1 | -26.4 | -179.9 | -62.3 | -10.5 | 0 | 0 | 0 | 112.3 | D77 C78 C84 D102 | H75-D77 VanDerWaalsContact C-N 3.28Å; H75-D77 PolarHBondContact O-N 3.43Å; H75-C78 WeakPolarHBondContact O-CB 3.41Å; H75-C78 PolarHBondContact O-N 3.09Å; H75-C78 VanDerWaalsContact O-N 3.11Å; H75-C84 PolarHBondContact CE1-O 3.41Å; H75-C84 PolarHBondContact ND1-N 2.99Å; H75-D102 IonicContact CD2-OD1 2.94Å; H75-D102 PolarHBondContact NE2-O 3.12Å |
| 76 | S | 93.6 | Very high | 85.3 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -65 | -20.6 | 174 | 7.3 | 0 | 0 | 0 | 0 | 114.9 | E74 C78 | E74-S76 VanDerWaalsContact CD-OG 3.26Å; E74-S76 WeakPolarHBondContact CG-OG 3.38Å; E74-S76 PolarHBondContact O-N 2.95Å; E74-S76 WeakPolarHBondContact OE1-CB 3.41Å; E74-S76 PolarHBondContact OE1-OG 3.47Å; S76-C78 PolarHBondContact O-N 3.01Å |
| 77 | D | 94.6 | Very high | 87.3 | Confident | 81 Ų | 81 | 90.8 Ų | 90.8 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -72 | -15.3 | 172 | -69.5 | -56.9 | 0 | 0 | 0 | 112.5 | C72 K73 E74 H75 | C72-D77 HydrophobicContact CB-CB 3.59Å; K73-D77 PolarHBondContact N-OD2 3.27Å; E74-D77 WeakPolarHBondContact CG-OD2 3.4Å; E74-D77 PolarHBondContact N-OD2 3.16Å; E74-D77 WeakPolarHBondContact O-CB 3.37Å; E74-D77 PolarHBondContact O-N 3.33Å; E74-D77 VanDerWaalsContact O-N 3.14Å; H75-D77 VanDerWaalsContact C-N 3.28Å; H75-D77 PolarHBondContact O-N 3.43Å |
| 78 | C | 94.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 90.2 Ų | 90.2 | 7% | 0.074 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -103.8 | 137.5 | -171.4 | -61.4 | 0 | 0 | 0 | 0 | 112 | H75 S76 Q82 C89 | H75-C78 WeakPolarHBondContact O-CB 3.41Å; H75-C78 PolarHBondContact O-N 3.09Å; H75-C78 VanDerWaalsContact O-N 3.11Å; S76-C78 PolarHBondContact O-N 3.01Å; C78-Q82 HydrophobicContact CB-CB 3.69Å; C78-C89 WeakPolarHBondContact CA-SG 3.44Å; C78-C89 HydrophobicContact CB-CB 3.73Å; C78-C89 WeakPolarHBondContact CB-SG 3.48Å; C78-C89 WeakPolarHBondContact SG-CA 3.46Å; C78-C89 WeakPolarHBondContact SG-CB 3.46Å; C78-C89 CovalentContact SG-SG 2.04Å; C78-C89 PolarHBondContact SG-SG 2.84Å |
| 79 | N | 92.5 | Very high | 91.4 | Very high | 131 Ų | 131 | 89.9 Ų | 89.9 | 70% | 0.701 | 48% | 0.476 | S | S | * | . | trans | -85.2 | 123.9 | -172.3 | -77.9 | -14 | 0 | 0 | 0 | 112 | ||||
| 80 | G | 91.9 | Very high | 93 | Very high | 77 Ų | 77 | 86.9 Ų | 86.9 | 79% | 0.794 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 75.2 | -127.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q82 | G80-Q82 PolarHBondContact O-N 2.91Å; G80-Q82 VanDerWaalsContact O-N 3.15Å |
| 81 | Q | 91.6 | Very high | 93.8 | Very high | 160 Ų | 160 | 81 Ų | 81 | 75% | 0.748 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -89.3 | 54 | -179.6 | -61.6 | -178.1 | 27.9 | 0 | 0 | 111 | A92 | Q81-A92 WeakPolarHBondContact O-CB 3.4Å; Q81-A92 PolarHBondContact O-N 3.48Å |
| 82 | Q | 94.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 71.5 Ų | 71.5 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.4 | 177.6 | -72 | -175.1 | -19.1 | 0 | 0 | 110.2 | S67 C78 G80 C89 K90 | S67-Q82 PolarHBondContact OG-OE1 3.47Å; C78-Q82 HydrophobicContact CB-CB 3.69Å; G80-Q82 PolarHBondContact O-N 2.91Å; G80-Q82 VanDerWaalsContact O-N 3.15Å; Q82-C89 HydrophobicContact CB-CB 4.29Å; Q82-K90 CarbonylContact C-O 3.53Å; Q82-K90 VanDerWaalsContact CA-O 3.27Å; Q82-K90 WeakPolarHBondContact CA-O 3.47Å |
| 83 | V | 93.8 | Very high | 93.5 | Very high | 48 Ų | 48 | 78.7 Ų | 78.7 | 29% | 0.291 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.5 | 172 | -76.3 | 0 | 0 | 0 | 0 | 109.8 | F85 K90 A92 | V83-F85 PolarHBondContact O-N 3.4Å; V83-K90 PolarHBondContact N-O 2.95Å; V83-K90 PolarHBondContact O-N 3.28Å; V83-A92 HydrophobicContact CG1-CB 3.99Å; V83-A92 HydrophobicContact CG2-CB 4.26Å |
| 84 | C | 95.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 75.2 Ų | 75.2 | 12% | 0.122 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 121.6 | 167.6 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | C72 E74 H75 | C72-C84 HydrophobicContact CB-CB 3.64Å; C72-C84 WeakPolarHBondContact CB-SG 3.48Å; C72-C84 WeakPolarHBondContact SG-CA 3.41Å; C72-C84 WeakPolarHBondContact SG-CB 3.31Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 2.97Å; E74-C84 WeakPolarHBondContact O-CB 3.39Å; H75-C84 PolarHBondContact CE1-O 3.41Å; H75-C84 PolarHBondContact ND1-N 2.99Å |
| 85 | F | 93.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 74.3 Ų | 74.3 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 124.5 | 175.7 | -176.5 | -73.3 | 0 | 0 | 0 | 109.3 | V83 G87 A88 K90 V108 | V83-F85 PolarHBondContact O-N 3.4Å; F85-G87 VanDerWaalsContact C-N 3.28Å; F85-G87 PolarHBondContact O-N 3.2Å; F85-A88 PolarHBondContact N-O 3.01Å; F85-A88 PolarHBondContact O-N 2.93Å; F85-A88 VanDerWaalsContact O-N 3.11Å; F85-K90 HydrophobicContact CB-CD 4.02Å; F85-K90 HydrophobicContact CB-CG 4.38Å; F85-K90 HydrophobicContact CD1-CD 4.12Å; F85-K90 HydrophobicContact CG-CD 4.3Å; F85-V108 HydrophobicContact CD2-CG2 3.96Å; F85-V108 HydrophobicContact CE2-CG2 3.47Å; F85-V108 VanDerWaalsContact CE2-CG2 3.47Å; F85-V108 HydrophobicContact CZ-CG2 4.07Å |
| 86 | D | 93.7 | Very high | 92.2 | Very high | 147 Ų | 147 | 79.1 Ų | 79.1 | 79% | 0.786 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 45.3 | -178.7 | -167.8 | 26.8 | 0 | 0 | 0 | 112.4 | A88 | D86-A88 PolarHBondContact O-N 3.34Å; D86-A88 VanDerWaalsContact O-N 3.08Å |
| 87 | G | 95.3 | Very high | 91.4 | Very high | 31 Ų | 31 | 82.2 Ų | 82.2 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 2.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R71 C72 F85 | R71-G87 VanDerWaalsContact CA-O 3.24Å; R71-G87 WeakPolarHBondContact CA-O 3.48Å; C72-G87 PolarHBondContact N-O 3.4Å; C72-G87 PolarHBondContact SG-O 3.04Å; F85-G87 VanDerWaalsContact C-N 3.28Å; F85-G87 PolarHBondContact O-N 3.2Å |
| 88 | A | 95.1 | Very high | 90.4 | Very high | 44 Ų | 44 | 90 Ų | 90 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 141.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | C72 F85 D86 K90 | C72-A88 PolarHBondContact SG-N 3.43Å; F85-A88 PolarHBondContact N-O 3.01Å; F85-A88 PolarHBondContact O-N 2.93Å; F85-A88 VanDerWaalsContact O-N 3.11Å; D86-A88 PolarHBondContact O-N 3.34Å; D86-A88 VanDerWaalsContact O-N 3.08Å; A88-K90 PolarHBondContact O-N 2.9Å |
| 89 | C | 96.1 | Very high | 89 | Confident | 30 Ų | 30 | 93 Ų | 93 | 20% | 0.203 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.5 | 171.9 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | C78 Q82 | C78-C89 WeakPolarHBondContact CA-SG 3.44Å; C78-C89 HydrophobicContact CB-CB 3.73Å; C78-C89 WeakPolarHBondContact CB-SG 3.48Å; C78-C89 WeakPolarHBondContact SG-CA 3.46Å; C78-C89 WeakPolarHBondContact SG-CB 3.46Å; C78-C89 CovalentContact SG-SG 2.04Å; C78-C89 PolarHBondContact SG-SG 2.84Å; Q82-C89 HydrophobicContact CB-CB 4.29Å |
| 90 | K | 94.4 | Very high | 87.4 | Confident | 93 Ų | 93 | 92.5 Ų | 92.5 | 40% | 0.404 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.3 | 177.8 | -56.7 | -172.9 | -170.8 | -179.2 | 0 | 109.5 | Q82 V83 F85 A88 A92 | Q82-K90 CarbonylContact C-O 3.53Å; Q82-K90 VanDerWaalsContact CA-O 3.27Å; Q82-K90 WeakPolarHBondContact CA-O 3.47Å; V83-K90 PolarHBondContact N-O 2.95Å; V83-K90 PolarHBondContact O-N 3.28Å; F85-K90 HydrophobicContact CB-CD 4.02Å; F85-K90 HydrophobicContact CB-CG 4.38Å; F85-K90 HydrophobicContact CD1-CD 4.12Å; F85-K90 HydrophobicContact CG-CD 4.3Å; A88-K90 PolarHBondContact O-N 2.9Å; K90-A92 PolarHBondContact O-N 2.94Å |
| 91 | T | 93.5 | Very high | 85.8 | Confident | 56 Ų | 56 | 95.5 Ų | 95.5 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 128 | 178 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 92 | A | 91.6 | Very high | 84.1 | Confident | 29 Ų | 29 | 93.6 Ų | 93.6 | 24% | 0.24 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 127.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q81 V83 K90 | Q81-A92 WeakPolarHBondContact O-CB 3.4Å; Q81-A92 PolarHBondContact O-N 3.48Å; V83-A92 HydrophobicContact CG1-CB 3.99Å; V83-A92 HydrophobicContact CG2-CB 4.26Å; K90-A92 PolarHBondContact O-N 2.94Å |
| 93 | Y | 88.1 | Confident | 82.1 | Confident | 160 Ų | 160 | 97.6 Ų | 97.6 | 63% | 0.627 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 125.1 | 173.5 | -70.5 | -77.2 | 0 | 0 | 0 | 110.4 | T95 | Y93-T95 PolarHBondContact O-N 2.94Å; Y93-T95 VanDerWaalsContact O-N 3.1Å |
| 94 | P | 85.4 | Confident | 80.2 | Confident | 123 Ų | 123 | 98.7 Ų | 98.7 | 80% | 0.799 | 52% | 0.519 | S | S | * | . | trans | -68.6 | 110.3 | -177.6 | 26.3 | -33.8 | 0 | 0 | 0 | 111.2 | ||||
| 95 | T | 81.7 | Confident | 77.6 | Confident | 92 Ų | 92 | 102 Ų | 102 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | trans | -79.5 | 167.4 | 174 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | Y93 E97 | Y93-T95 PolarHBondContact O-N 2.94Å; Y93-T95 VanDerWaalsContact O-N 3.1Å; T95-E97 PolarHBondContact OG1-O 2.74Å | ||
| 96 | K | 84 | Confident | 75.3 | Confident | 148 Ų | 148 | 105.9 Ų | 105.9 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -100.8 | 12.4 | 174.8 | -77.2 | 163 | 171.9 | 176.3 | 0 | 112.4 | K116 D119 | K96-K116 HydrophobicContact CD-CD 4.02Å; K96-D119 IonicContact NZ-OD1 2.95Å |
| 97 | E | 78.3 | Confident | 72.8 | Confident | 155 Ų | 155 | 101 Ų | 101 | 72% | 0.724 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -136.7 | 138 | -171.8 | -65 | 177.9 | -174.3 | 0 | 0 | 109.2 | T95 C99 | T95-E97 PolarHBondContact OG1-O 2.74Å; E97-C99 PolarHBondContact O-N 2.88Å |
| 98 | R | 72.6 | Confident | 70.1 | Confident | 244 Ų | 244 | 103.7 Ų | 103.7 | 92% | 0.921 | 55% | 0.553 | S | S | * | * | trans | -78.8 | 121 | -177.8 | -73 | -177.6 | 177.5 | 163.5 | -1.3 | 110.7 | S100 | R98-S100 PolarHBondContact O-N 3.19Š| ||
| 99 | C | 65.6 | Low | 67.6 | Low | 75 Ų | 75 | 110.1 Ų | 110.1 | 51% | 0.507 | 57% | 0.573 | S | S | . | * | trans | -68.2 | 108.6 | 173.6 | -43.3 | 0 | 0 | 0 | 0 | 109.2 | E97 K101 L104 | E97-C99 PolarHBondContact O-N 2.88Å; C99-K101 PolarHBondContact O-N 3.03Å; C99-L104 HydrophobicContact CB-CD1 3.65Å; C99-L104 HydrophobicContact CB-CG 4.07Å; C99-L104 WeakPolarHBondContact SG-CD1 3.26Å | ||
| 100 | S | 59.3 | Low | 64.9 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 85% | 0.846 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -77.6 | -5.2 | -174 | -52.6 | 0 | 0 | 0 | 0 | 114.8 | R98 | R98-S100 PolarHBondContact O-N 3.19Š|
| 101 | K | 57.8 | Low | 61.8 | Low | 140 Ų | 140 | 115.8 Ų | 115.8 | 61% | 0.609 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -155.3 | 152.1 | 178.4 | -57.6 | -175.2 | -176.3 | -179.6 | 0 | 108.3 | C99 L103 | C99-K101 PolarHBondContact O-N 3.03Å; K101-L103 HydrophobicContact CB-CB 3.99Å; K101-L103 HydrophobicContact CD-CB 4.45Å; K101-L103 HydrophobicContact CD-CD1 4.12Å; K101-L103 PolarHBondContact O-N 3.4Å |
| 102 | D | 56.2 | Low | 59 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -68.2 | -6.5 | 167.2 | -49.5 | -83.3 | 0 | 0 | 0 | 112.7 | H75 L104 | H75-D102 IonicContact CD2-OD1 2.94Å; H75-D102 PolarHBondContact NE2-O 3.12Å; D102-L104 PolarHBondContact O-N 3.31Å |
| 103 | L | 52.7 | Low | 56.4 | Low | 120 Ų | 120 | 124.2 Ų | 124.2 | 63% | 0.628 | 67% | 0.666 | S | S | * | * | trans | -71.8 | 52.3 | 163 | -68.2 | 166.2 | 0 | 0 | 0 | 111.7 | K101 T105 | K101-L103 HydrophobicContact CB-CB 3.99Å; K101-L103 HydrophobicContact CD-CB 4.45Å; K101-L103 HydrophobicContact CD-CD1 4.12Å; K101-L103 PolarHBondContact O-N 3.4Å; L103-T105 VanDerWaalsContact C-N 3.26Å | ||
| 104 | L | 52.6 | Low | 54.1 | Low | 72 Ų | 72 | 126.7 Ų | 126.7 | 38% | 0.377 | 68% | 0.68 | S | S | . | * | trans | -98.1 | 39.1 | 154.4 | -71.2 | -158.8 | 0 | 0 | 0 | 111.2 | C99 D102 D106 A107 | C99-L104 HydrophobicContact CB-CD1 3.65Å; C99-L104 HydrophobicContact CB-CG 4.07Å; C99-L104 WeakPolarHBondContact SG-CD1 3.26Å; D102-L104 PolarHBondContact O-N 3.31Å; L104-D106 PolarHBondContact O-N 2.87Å; L104-A107 HydrophobicContact CB-CB 4.11Å; L104-A107 HydrophobicContact CD1-CB 4.1Å; L104-A107 HydrophobicContact CD2-CB 3.81Å; L104-A107 HydrophobicContact CG-CB 4.22Å | ||
| 105 | T | 42.8 | Very low | 51.8 | Low | 88 Ų | 88 | 130.9 Ų | 130.9 | 54% | 0.54 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -46 | 134 | 142.5 | 45.9 | 0 | 0 | 0 | 0 | 108.9 | L103 A107 | L103-T105 VanDerWaalsContact C-N 3.26Å; T105-A107 VanDerWaalsContact C-N 3.25Å; T105-A107 PolarHBondContact O-N 3.12Å |
| 106 | D | 45.3 | Very low | 49.7 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 68.6 | -5.4 | 170.3 | -43.2 | -42 | 0 | 0 | 0 | 118.4 | L104 V108 | L104-D106 PolarHBondContact O-N 2.87Å; D106-V108 PolarHBondContact O-N 3.17Å |
| 107 | A | 40 | Very low | 47.5 | Very low | 45 Ų | 45 | 134.1 Ų | 134.1 | 37% | 0.372 | 70% | 0.697 | S | S | . | * | trans | -79 | 28.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L104 T105 F109 | L104-A107 HydrophobicContact CB-CB 4.11Å; L104-A107 HydrophobicContact CD1-CB 4.1Å; L104-A107 HydrophobicContact CD2-CB 3.81Å; L104-A107 HydrophobicContact CG-CB 4.22Å; T105-A107 VanDerWaalsContact C-N 3.25Å; T105-A107 PolarHBondContact O-N 3.12Å; A107-F109 PolarHBondContact O-N 3.05Å; A107-F109 VanDerWaalsContact O-N 3.11Å | ||
| 108 | V | 39.4 | Very low | 45.8 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 53% | 0.533 | 70% | 0.699 | S | S | . | * | trans | -73.8 | 99.7 | 167.1 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | F85 D106 I110 | F85-V108 HydrophobicContact CD2-CG2 3.96Å; F85-V108 HydrophobicContact CE2-CG2 3.47Å; F85-V108 VanDerWaalsContact CE2-CG2 3.47Å; F85-V108 HydrophobicContact CZ-CG2 4.07Å; D106-V108 PolarHBondContact O-N 3.17Å; V108-I110 VanDerWaalsContact C-N 3.31Å; V108-I110 HydrophobicContact CG1-CG1 4.12Å; V108-I110 PolarHBondContact O-N 3.33Å | ||
| 109 | F | 41.8 | Very low | 44.3 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -70.5 | 78.5 | -174.9 | -106.1 | -84.4 | 0 | 0 | 0 | 113.1 | A107 G111 | A107-F109 PolarHBondContact O-N 3.05Å; A107-F109 VanDerWaalsContact O-N 3.11Å; F109-G111 PolarHBondContact O-N 3.12Å | ||
| 110 | I | 39.5 | Very low | 43.2 | Very low | 161 Ų | 161 | 132 Ų | 132 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | trans | -72.5 | 88.8 | 171.3 | -54.9 | -179.6 | 0 | 0 | 0 | 109.3 | V108 | V108-I110 VanDerWaalsContact C-N 3.31Å; V108-I110 HydrophobicContact CG1-CG1 4.12Å; V108-I110 PolarHBondContact O-N 3.33Å | ||
| 111 | G | 30 | Very low | 42.5 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 80.3 | 51.8 | 158 | 0 | 0 | 0 | 0 | 0 | 118.1 | F109 | F109-G111 PolarHBondContact O-N 3.12Š|
| 112 | G | 33.7 | Very low | 41.7 | Very low | 59 Ų | 59 | 134.1 Ų | 134.1 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | trans | -105.6 | 119.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 113 | K | 37.1 | Very low | 40.9 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -76.3 | 128.2 | 175.4 | -68.4 | 177 | 179.6 | 173.3 | 0 | 112.5 | ||||
| 114 | K | 40.8 | Very low | 40.9 | Very low | 213 Ų | 213 | 136.2 Ų | 136.2 | 93% | 0.926 | 71% | 0.712 | S | S | * | * | trans | -163.7 | 158.6 | 145.9 | -101.4 | 141 | -170.4 | 179.4 | 0 | 112.7 | ||||
| 115 | K | 35.5 | Very low | 40.3 | Very low | 211 Ų | 211 | 137 Ų | 137 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -77.5 | 151.7 | -158.4 | -54.1 | 169.5 | -179.7 | 177.8 | 0 | 114.3 | ||||
| 116 | K | 38.5 | Very low | 40.5 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | -154.8 | 169.4 | 164.5 | -131.3 | -164.6 | -176.3 | -154.9 | 0 | 113.6 | K96 | K96-K116 HydrophobicContact CD-CD 4.02Š| ||
| 117 | I | 38.5 | Very low | 40.8 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -144.9 | 133.8 | -175 | -61 | 178.9 | 0 | 0 | 0 | 110.9 | ||||
| 118 | V | 41.5 | Very low | 41.1 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | 62.5 | 144.3 | 163.2 | 170.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 119 | D | 42.1 | Very low | 41.7 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | trans | -134.1 | -97.3 | -178.5 | -56.3 | -96.6 | 0 | 0 | 0 | 115.2 | K96 | K96-D119 IonicContact NZ-OD1 2.95Š| ||
| 120 | M | 42.2 | Very low | 42 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -152.5 | 179.8 | -155.4 | -68.6 | 172.1 | 57.5 | 0 | 0 | 120.2 | ||||
| 121 | K | 44.3 | Very low | 42.5 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -152 | 164.8 | 147.8 | -119.6 | -159.9 | 176.7 | -156.7 | 0 | 108.4 | ||||
| 122 | Q | 41.2 | Very low | 43.5 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | cis | -155.4 | -178.3 | -13.3 | -153.9 | -161.7 | -82.3 | 0 | 0 | 108.8 | ||||
| 123 | V | 39.3 | Very low | 44.3 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -142 | 168.5 | 175.5 | -170.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 124 | E | 51.9 | Low | 44.7 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -153.5 | -168.4 | 167.2 | -120.2 | -45.5 | -59 | 0 | 0 | 113.1 | ||||
| 125 | S | 41.6 | Very low | 44.8 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | trans | -123.3 | -162 | -166.2 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 126 | S | 47.3 | Very low | 45 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | cis | -165.2 | -172.4 | 16.3 | -125.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 127 | F | 50.2 | Low | 45 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | 75.2 | 159.1 | 167.7 | -49.9 | -71.9 | 0 | 0 | 0 | 118.9 | ||||
| 128 | G | 46.9 | Very low | 45.3 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | 167.2 | 114.4 | -16.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 129 | A | 52.5 | Low | 45.3 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | 65.7 | 154.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 130 | K | 47.3 | Very low | 45.3 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | cis | -172.6 | 143.5 | -45.8 | -124.8 | 179.1 | -179.8 | 178.3 | 0 | 112.4 | ||||
| 131 | G | 50.5 | Low | 45.6 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 121.5 | 113.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 132 | K | 51.6 | Low | 45.7 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | 72.5 | 124.9 | 68.7 | -72.6 | -166.2 | 123 | -61.7 | 0 | 113.4 | |||||
| 133 | D | 49.1 | Very low | 45.8 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | cis | -126.8 | -122 | -8.7 | -70 | -59.7 | 0 | 0 | 0 | 111.5 | ||||
| 134 | S | 46.5 | Very low | 46 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | cis | -156.5 | -173.1 | 3.3 | -165.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 135 | L | 42.4 | Very low | 45.7 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -125.2 | 129.7 | -166.3 | -74 | 166.4 | 0 | 0 | 0 | 116 | ||||
| 136 | R | 40 | Very low | 46.1 | Very low | 249 Ų | 249 | 143.7 Ų | 143.7 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | -167.1 | 152.7 | 125.1 | -122.6 | 179 | 177.3 | -126.8 | -1.3 | 112.2 | |||||
| 137 | M | 39.3 | Very low | 46.1 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 80% | 0.803 | 78% | 0.78 | S | S | * | * | trans | -114 | 159 | 179.8 | -61.3 | -152.5 | -59.7 | 0 | 0 | 112.9 | F139 | M137-F139 HydrophobicContact CE-CE2 4.5Š| ||
| 138 | G | 44.6 | Very low | 46.2 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -157 | 144.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 139 | F | 41.2 | Very low | 46.2 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -108.7 | 151.6 | -172.8 | -82.9 | -103 | 0 | 0 | 0 | 113 | M137 | M137-F139 HydrophobicContact CE-CE2 4.5Š| ||
| 140 | G | 42.5 | Very low | 45.7 | Very low | 69 Ų | 69 | 145.9 Ų | 145.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 167.9 | 102.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 141 | Q | 47.3 | Very low | 45.7 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 77.7 | 124.7 | 67.6 | -79.7 | -161.4 | -15.7 | 0 | 0 | 115.2 | |||||
| 142 | H | 45.9 | Very low | 45.4 | Very low | 156 Ų | 156 | 145 Ų | 145 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 67.1 | 156 | 159 | -77.8 | -124.8 | 0 | 0 | 0 | 118.1 | ||||
| 143 | R | 44.4 | Very low | 44.9 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | cis | -171.9 | 157.5 | -34.4 | -153.9 | 176.4 | -172.8 | -142.8 | 18.7 | 107.9 | ||||
| 144 | E | 44.1 | Very low | 44.7 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | 62.4 | 164.9 | 164 | -73.3 | 134.6 | 167.6 | 0 | 0 | 117.4 | ||||
| 145 | S | 44.3 | Very low | 44.4 | Very low | 85 Ų | 85 | 142.7 Ų | 142.7 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | cis | -169.4 | 168.9 | -37.8 | -89.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 146 | H | 50.3 | Low | 44.4 | Very low | 188 Ų | 188 | 141 Ų | 141 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | 82.4 | 153.7 | 161.6 | -54.3 | -70 | 0 | 0 | 0 | 120.9 | ||||
| 147 | G | 48.3 | Very low | 44.5 | Very low | 64 Ų | 64 | 136.1 Ų | 136.1 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | trans | 104.8 | 99 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 148 | N | 51.5 | Low | 44.5 | Very low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | 61.6 | 131.4 | 53.4 | -58.2 | 15.1 | 0 | 0 | 0 | 112.1 | |||||
| 149 | E | 45.7 | Very low | 44 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -161.2 | 151.7 | 9.1 | -137.5 | 178.3 | 112.7 | 0 | 0 | 113.9 | ||||
| 150 | K | 43.5 | Very low | 43.9 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 60.4 | 150.3 | 143.3 | -94.1 | 177.5 | -162.2 | 147.9 | 0 | 124.6 | ||||
| 151 | V | 46.5 | Very low | 43.6 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 74.3 | 130.1 | 144.7 | 166 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 152 | V | 44.7 | Very low | 43.1 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -150.5 | 167 | -3.8 | 109.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 153 | S | 41.7 | Very low | 42.9 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 154.3 | -178 | -179.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 154 | S | 44.5 | Very low | 42.4 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -157.8 | 142.6 | 134.9 | -82.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 155 | H | 39.5 | Very low | 42.3 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | -99.7 | 153.8 | 179.9 | -72.3 | -122.3 | 0 | 0 | 0 | 112.2 | ||||
| 156 | S | 43.5 | Very low | 41.8 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -167.8 | 161.7 | 134.3 | 35.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 157 | V | 40.8 | Very low | 41.3 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -120.2 | 141.9 | -172.1 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 158 | G | 39.7 | Very low | 40.9 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -166.9 | 104.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 159 | H | 34.2 | Very low | 40.1 | Very low | 192 Ų | 192 | 141 Ų | 141 | 89% | 0.889 | 80% | 0.802 | S | S | * | * | trans | -91.5 | 133.6 | 164.5 | -90.8 | -55.4 | 0 | 0 | 0 | 110.5 | ||||
| 160 | A | 39.2 | Very low | 39.7 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -153.5 | 145.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 161 | I | 36.5 | Very low | 39.4 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -129.7 | 120.3 | 179.8 | -58.6 | 171 | 0 | 0 | 0 | 109.3 | ||||
| 162 | R | 36.6 | Very low | 39.1 | Very low | 251 Ų | 251 | 137.5 Ų | 137.5 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | 178.2 | 151.2 | 150 | -109.3 | 171.3 | 172.7 | -168 | -3.2 | 112.5 | ||||
| 163 | G | 40.4 | Very low | 38.9 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 153.4 | 68.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 164 | N | 35 | Very low | 38.9 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -88.3 | 150.9 | 164.3 | -87.2 | 2.9 | 0 | 0 | 0 | 110.5 | ||||
| 165 | S | 42 | Very low | 38.7 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -144.6 | 157.3 | 165.2 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 166 | M | 34.3 | Very low | 38.9 | Very low | 179 Ų | 179 | 138 Ų | 138 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -146.5 | 141.9 | -176 | -87.3 | -173.2 | 166.9 | 0 | 0 | 110.2 | ||||
| 167 | L | 39.6 | Very low | 38.8 | Very low | 159 Ų | 159 | 135 Ų | 135 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -176.4 | 150.4 | 157.4 | -89.7 | 132.4 | 0 | 0 | 0 | 108.5 | ||||
| 168 | V | 39 | Very low | 39.2 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | cis | -171 | 150 | -24.8 | 96.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 169 | Q | 35.9 | Very low | 39.1 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | 60.3 | 161.2 | 155.1 | -67.4 | 170.6 | -0.2 | 0 | 0 | 120.3 | ||||
| 170 | Q | 37.2 | Very low | 39.4 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -155.8 | 175.1 | -6.3 | -124.6 | 166.7 | 26.5 | 0 | 0 | 114.2 | ||||
| 171 | S | 37.5 | Very low | 39.3 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -26.6 | 173 | 168.3 | -85.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 172 | S | 39.5 | Very low | 39.7 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | cis | 168 | 128.7 | -35.5 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 173 | N | 41.3 | Very low | 40 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | 173.7 | 157.4 | 139.1 | -94.8 | -23.9 | 0 | 0 | 0 | 117.2 | ||||
| 174 | N | 39.9 | Very low | 40.1 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | -61.1 | 163.9 | -167.2 | -56.8 | -35.5 | 0 | 0 | 0 | 120.4 | ||||
| 175 | G | 40.3 | Very low | 40.7 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | 141.6 | 66.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 176 | S | 43.7 | Very low | 40.7 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -54.9 | 156.7 | 170.2 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 177 | G | 43.3 | Very low | 41.6 | Very low | 61 Ų | 61 | 133.2 Ų | 133.2 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | cis | 98.1 | 111.6 | 24.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | K | 47.8 | Very low | 41.7 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | 82.2 | 146.5 | 67 | -74.3 | 179.8 | 75.3 | 177.7 | 0 | 115.1 | |||||
| 179 | F | 38.8 | Very low | 42.4 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 100.8 | 149.5 | 148.1 | -72.4 | -58.2 | 0 | 0 | 0 | 123.9 | ||||
| 180 | S | 39.5 | Very low | 42.6 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -89.8 | 179.4 | 175.4 | 12.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 181 | A | 37.9 | Very low | 43.1 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -158.3 | 168.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 182 | T | 44.4 | Very low | 43.3 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -140.1 | 176.5 | -174.5 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 183 | Q | 42.1 | Very low | 43.6 | Very low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | trans | 179 | -175.6 | 167.3 | -105.9 | 156.6 | 99.9 | 0 | 0 | 111.5 | ||||
| 184 | K | 43.5 | Very low | 43.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 47% | 0.474 | 75% | 0.752 | S | S | . | * | cis | -165.9 | 158.3 | 5.8 | -132.7 | -179.1 | -173.7 | 84 | 0 | 109.6 | D55 | D55-K184 WeakPolarHBondContact OD1-CE 3.43Å; D55-K184 IonicContact OD1-NZ 3.64Å; D55-K184 PolarHBondContact OD1-NZ 3.18Å; D55-K184 IonicContact OD2-NZ 3.69Å; D55-K184 PolarHBondContact OD2-NZ 3.45Å | ||
| 185 | K | 46.7 | Very low | 43.3 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 161.6 | 128.7 | 133.8 | -87.8 | -124.7 | 171.9 | -178 | 0 | 120.3 | ||||
| 186 | Y | 42.4 | Very low | 43.1 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 74% | 0.737 | 76% | 0.755 | S | S | * | * | trans | 68 | 169.7 | 145.8 | -69.3 | -178.9 | 0 | 0 | 0 | 121.3 | ||||
| 187 | N | 54.2 | Low | 42.8 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | cis | -145.4 | -147.2 | 19.1 | -158 | 51.9 | 0 | 0 | 0 | 116.9 | ||||
| 188 | L | 40.4 | Very low | 42.6 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -146.1 | 171.4 | -153.6 | -81.6 | 153.1 | 0 | 0 | 0 | 118.6 | ||||
| 189 | S | 53.6 | Low | 42.3 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -161.9 | 174.9 | 171.9 | -166.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 190 | S | 41.2 | Very low | 42.3 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -166.6 | -179.7 | -175.9 | 67.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 191 | S | 47.4 | Very low | 42.3 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 88.5 | 157.8 | 158.8 | -57.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 192 | A | 42.4 | Very low | 42.4 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | -172.7 | -176.5 | -20.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 193 | N | 44.1 | Very low | 41.9 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | 74.5 | 154.4 | 167 | -69.6 | -10 | 0 | 0 | 0 | 121 | ||||
| 194 | S | 38.2 | Very low | 41.6 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | cis | -172.8 | 166.4 | -18.7 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 195 | Q | 36.6 | Very low | 41 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | 76.6 | 125.4 | 160.9 | -60.7 | -170.2 | 12.9 | 0 | 0 | 123.4 | ||||
| 196 | L | 37 | Very low | 40.4 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | -175.8 | 169.8 | 120.4 | -103.9 | 167.3 | 0 | 0 | 0 | 111.5 | |||||
| 197 | T | 36.5 | Very low | 39.9 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -134.8 | 157.3 | -161.7 | 56.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 198 | S | 38.9 | Very low | 39.6 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 134.8 | 148.6 | 120.4 | -154 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 199 | K | 42.4 | Very low | 39.7 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 66.1 | 130 | 170.8 | -55.4 | -164.1 | -179.3 | -171.2 | 0 | 117.4 | ||||
| 200 | E | 38.8 | Very low | 38.9 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | 120.9 | 121.3 | 15.3 | 168.9 | 178.3 | -137.8 | 0 | 0 | 109 | ||||
| 201 | V | 39.9 | Very low | 38.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -175.1 | 121.7 | 143.8 | 140.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 202 | H | 39.5 | Very low | 37.6 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 57.4 | 117.1 | 154.2 | -77.6 | 56.4 | 0 | 0 | 0 | 123 | ||||
| 203 | K | 33.1 | Very low | 37 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | trans | -88.3 | 144.6 | 165.6 | -170.9 | -165.7 | -150.9 | -154.5 | 0 | 110.7 | E205 | K203-E205 WeakPolarHBondContact CE-OE1 3.42Å; K203-E205 VanDerWaalsContact CE-OE2 3.23Å; K203-E205 WeakPolarHBondContact CE-OE2 3.42Å; K203-E205 IonicContact NZ-OE1 2.7Å; K203-E205 PolarHBondContact NZ-OE1 3.46Å; K203-E205 IonicContact NZ-OE2 2.72Å; K203-E205 PolarHBondContact NZ-OE2 3.47Å | ||
| 204 | R | 36.5 | Very low | 36.3 | Very low | 248 Ų | 248 | 145.1 Ų | 145.1 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -141.7 | 116.4 | 147.1 | -77.8 | -162.6 | 178 | -174.8 | 0.3 | 110.1 | ||||
| 205 | E | 30.5 | Very low | 36.1 | Very low | 141 Ų | 141 | 150 Ų | 150 | 66% | 0.659 | 80% | 0.799 | S | S | * | * | trans | -91.2 | 150.3 | 163.1 | -67.9 | 151.8 | 157.6 | 0 | 0 | 108.9 | K203 | K203-E205 WeakPolarHBondContact CE-OE1 3.42Å; K203-E205 VanDerWaalsContact CE-OE2 3.23Å; K203-E205 WeakPolarHBondContact CE-OE2 3.42Å; K203-E205 IonicContact NZ-OE1 2.7Å; K203-E205 PolarHBondContact NZ-OE1 3.46Å; K203-E205 IonicContact NZ-OE2 2.72Å; K203-E205 PolarHBondContact NZ-OE2 3.47Å | ||
| 206 | I | 34.2 | Very low | 35.8 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -132 | 122.2 | 152.1 | -59.2 | -179.5 | 0 | 0 | 0 | 105.6 | V208 | I206-V208 HydrophobicContact CG2-CG2 4.25Š| ||
| 207 | S | 32.1 | Very low | 35.5 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -102.8 | 132.7 | 174.4 | -168.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 208 | V | 48.6 | Very low | 35.2 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -141.8 | 148.6 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 107 | I206 | I206-V208 HydrophobicContact CG2-CG2 4.25Š| ||
| 209 | D | 42.6 | Very low | 35 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -53.5 | 156.3 | -173 | -82.3 | -67.9 | 0 | 0 | 0 | 116.6 | ||
| 210 | G | 35.5 | Very low | 34.9 | Very low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 94.3 | 101.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 211 | S | 30.4 | Very low | 35 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | 51.8 | 91 | 154.1 | -59.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 212 | K | 30.8 | Very low | 35.3 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | -124.2 | 112.5 | 167.2 | -156.6 | 168.1 | -169.3 | 171.6 | 0 | 111.7 | T214 | K212-T214 PolarHBondContact O-N 2.98Š| ||
| 213 | A | 30.5 | Very low | 35.4 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 121.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F215 | A213-F215 PolarHBondContact O-N 3.47Š| ||
| 214 | T | 28.9 | Very low | 35.9 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -79.5 | 105.7 | 172 | -56 | 0 | 0 | 0 | 0 | 109.1 | K212 G216 | K212-T214 PolarHBondContact O-N 2.98Å; T214-G216 PolarHBondContact O-N 3.27Å | ||
| 215 | F | 34.2 | Very low | 36.2 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -67 | 98.8 | 164.4 | -80.5 | -88.4 | 0 | 0 | 0 | 109 | A213 | A213-F215 PolarHBondContact O-N 3.47Š| ||
| 216 | G | 31.3 | Very low | 37.4 | Very low | 57 Ų | 57 | 122 Ų | 122 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | trans | -63.5 | 142 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T214 L218 | T214-G216 PolarHBondContact O-N 3.27Å; G216-L218 PolarHBondContact O-N 3.29Å | ||
| 217 | N | 30.4 | Very low | 38.6 | Very low | 167 Ų | 167 | 116 Ų | 116 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | trans | -58.3 | 128.8 | 178.5 | -76.5 | -32.4 | 0 | 0 | 0 | 110.8 | S219 | N217-S219 PolarHBondContact O-N 3.08Š| ||
| 218 | L | 29.5 | Very low | 40.1 | Very low | 181 Ų | 181 | 113.5 Ų | 113.5 | 95% | 0.948 | 68% | 0.675 | S | S | * | * | trans | -67.3 | 90.7 | 174.4 | -78.5 | 164.5 | 0 | 0 | 0 | 110.5 | G216 | G216-L218 PolarHBondContact O-N 3.29Š| ||
| 219 | S | 36.2 | Very low | 41.3 | Very low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -68.9 | 133.6 | 163.4 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | N217 S221 | N217-S219 PolarHBondContact O-N 3.08Å; S219-S221 PolarHBondContact O-N 3.49Å | ||
| 220 | S | 38.9 | Very low | 42.8 | Very low | 96 Ų | 96 | 111 Ų | 111 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | trans | -82.4 | 78.2 | -171.2 | 44.8 | 0 | 0 | 0 | 0 | 113.1 | T248 | S220-T248 WeakPolarHBondContact O-CG2 3.26Š| ||
| 221 | S | 42.3 | Very low | 44.5 | Very low | 54 Ų | 54 | 113.1 Ų | 113.1 | 38% | 0.378 | 65% | 0.647 | S | S | . | * | trans | -111.6 | 118.4 | 161.2 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | S219 | S219-S221 PolarHBondContact O-N 3.49Š| ||
| 222 | S | 44.4 | Very low | 47 | Very low | 64 Ų | 64 | 111.4 Ų | 111.4 | 45% | 0.448 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 93 | 174 | 56.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 223 | H | 43.6 | Very low | 49.2 | Very low | 117 Ų | 117 | 114.5 Ų | 114.5 | 54% | 0.542 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.4 | 133.4 | 167 | -72.1 | -89.5 | 0 | 0 | 0 | 109.6 | ||
| 224 | F | 41.8 | Very low | 51.9 | Low | 152 Ų | 152 | 116.4 Ų | 116.4 | 67% | 0.667 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.2 | 172.1 | -145.9 | -80.1 | 0 | 0 | 0 | 108.1 | V244 | F224-V244 PolarHBondContact O-N 3.4Å |
| 225 | E | 43.9 | Very low | 54.4 | Low | 135 Ų | 135 | 112.6 Ų | 112.6 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.8 | 171.9 | -66.4 | -169 | 142.9 | 0 | 0 | 108.9 | ||
| 226 | A | 54.5 | Low | 56.5 | Low | 45 Ų | 45 | 105.7 Ų | 105.7 | 37% | 0.372 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 106.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y242 | A226-Y242 PolarHBondContact N-O 3.09Å; A226-Y242 PolarHBondContact O-N 2.75Å |
| 227 | G | 61.3 | Low | 58.6 | Low | 36 Ų | 36 | 108.5 Ų | 108.5 | 37% | 0.371 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | T240 | G227-T240 CarbonylContact C-O 3.57Å; G227-T240 WeakPolarHBondContact CA-O 3.49Å |
| 228 | T | 61.7 | Low | 60.5 | Low | 61 Ų | 61 | 102.5 Ų | 102.5 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.2 | 167.1 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | Q239 T240 | T228-Q239 WeakPolarHBondContact O-CA 3.38Å; T228-T240 PolarHBondContact N-O 2.64Å; T228-T240 PolarHBondContact O-N 2.95Å |
| 229 | Y | 73.9 | Confident | 62.5 | Low | 157 Ų | 157 | 98.1 Ų | 98.1 | 62% | 0.616 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.5 | 173.2 | -59.7 | -84.5 | 0 | 0 | 0 | 109.1 | I237 S238 Q239 | Y229-I237 HydrophobicContact CD1-CG2 4.01Å; Y229-S238 WeakPolarHBondContact CA-O 3.45Å; Y229-Q239 HydrophobicContact CD1-CB 4.16Å; Y229-Q239 HydrophobicContact CD1-CG 4.01Å; Y229-Q239 HydrophobicContact CE1-CB 4.29Å; Y229-Q239 VanDerWaalsContact CE1-CD 3.44Å; Y229-Q239 HydrophobicContact CE1-CG 3.81Å; Y229-Q239 VanDerWaalsContact CE1-NE2 3.35Å; Y229-Q239 PolarHBondContact OH-NE2 3.05Å; Y229-Q239 VanDerWaalsContact OH-NE2 3.17Å |
| 230 | N | 74.8 | Confident | 63.6 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 113.3 | 170.8 | -59.1 | -64.4 | 0 | 0 | 0 | 108.9 | S238 | N230-S238 PolarHBondContact N-O 2.67Å; N230-S238 PolarHBondContact O-N 2.91Å; N230-S238 PolarHBondContact O-OG 2.98Å |
| 231 | T | 70.7 | Confident | 64.5 | Low | 112 Ų | 112 | 96.3 Ų | 96.3 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123 | 167.7 | 15.4 | 0 | 0 | 0 | 0 | 110 | S236 I237 | T231-S236 WeakPolarHBondContact CA-O 3.06Å; T231-I237 HydrophobicContact CG2-CD1 4.43Å; T231-I237 HydrophobicContact CG2-CG1 3.88Å |
| 232 | H | 83.4 | Confident | 65 | Low | 97 Ų | 97 | 100 Ų | 100 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | trans | -87.4 | 165.3 | 174.6 | -64.6 | -76.6 | 0 | 0 | 0 | 111.2 | D234 G235 S236 S238 | H232-D234 VanDerWaalsContact CB-OD1 3.24Å; H232-D234 WeakPolarHBondContact CB-OD1 3.46Å; H232-D234 PolarHBondContact O-N 3.01Å; H232-G235 PolarHBondContact O-N 3.27Å; H232-S236 WeakPolarHBondContact CB-OG 3.34Å; H232-S236 PolarHBondContact CD2-OG 3.33Å; H232-S236 PolarHBondContact N-O 3.49Å; H232-S238 PolarHBondContact NE2-OG 3.36Å | ||
| 233 | R | 76.5 | Confident | 65.1 | Low | 266 Ų | 266 | 101.4 Ų | 101.4 | 100% | 1.004 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.1 | -178 | -83.7 | -170 | 175.9 | -170.2 | 0.6 | 114.6 | G235 | R233-G235 VanDerWaalsContact C-N 3.32Š|
| 234 | D | 88.7 | Confident | 65.1 | Low | 126 Ų | 126 | 99.2 Ų | 99.2 | 67% | 0.674 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.2 | 176 | 60.6 | 2 | 0 | 0 | 0 | 113.2 | H232 S236 | H232-D234 VanDerWaalsContact CB-OD1 3.24Å; H232-D234 WeakPolarHBondContact CB-OD1 3.46Å; H232-D234 PolarHBondContact O-N 3.01Å; D234-S236 VanDerWaalsContact OD1-CB 3.28Å; D234-S236 WeakPolarHBondContact OD1-CB 3.23Å; D234-S236 PolarHBondContact OD1-N 2.97Å; D234-S236 PolarHBondContact OD1-OG 3.46Å; D234-S236 PolarHBondContact OD2-OG 3.02Å |
| 235 | G | 80.8 | Confident | 65.3 | Low | 56 Ų | 56 | 99.3 Ų | 99.3 | 58% | 0.577 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 87 | -0.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H232 R233 | H232-G235 PolarHBondContact O-N 3.27Å; R233-G235 VanDerWaalsContact C-N 3.32Å |
| 236 | S | 77.2 | Confident | 65.3 | Low | 50 Ų | 50 | 96 Ų | 96 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | trans | -70.5 | 146.8 | 173 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | T231 H232 D234 | T231-S236 WeakPolarHBondContact CA-O 3.06Å; H232-S236 WeakPolarHBondContact CB-OG 3.34Å; H232-S236 PolarHBondContact CD2-OG 3.33Å; H232-S236 PolarHBondContact N-O 3.49Å; D234-S236 VanDerWaalsContact OD1-CB 3.28Å; D234-S236 WeakPolarHBondContact OD1-CB 3.23Å; D234-S236 PolarHBondContact OD1-N 2.97Å; D234-S236 PolarHBondContact OD1-OG 3.46Å; D234-S236 PolarHBondContact OD2-OG 3.02Å | ||
| 237 | I | 75.3 | Confident | 64.8 | Low | 117 Ų | 117 | 97.9 Ų | 97.9 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.1 | 179.3 | -53.9 | -178.9 | 0 | 0 | 0 | 108 | Y229 T231 | Y229-I237 HydrophobicContact CD1-CG2 4.01Å; T231-I237 HydrophobicContact CG2-CD1 4.43Å; T231-I237 HydrophobicContact CG2-CG1 3.88Å |
| 238 | S | 71.6 | Confident | 64.2 | Low | 41 Ų | 41 | 99.6 Ų | 99.6 | 29% | 0.287 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.7 | 172.3 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | Y229 N230 H232 | Y229-S238 WeakPolarHBondContact CA-O 3.45Å; N230-S238 PolarHBondContact N-O 2.67Å; N230-S238 PolarHBondContact O-N 2.91Å; N230-S238 PolarHBondContact O-OG 2.98Å; H232-S238 PolarHBondContact NE2-OG 3.36Å |
| 239 | Q | 71.4 | Confident | 63.6 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 41% | 0.411 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125 | -175.5 | -172.4 | 175.1 | 17 | 0 | 0 | 110.1 | T228 Y229 F241 | T228-Q239 WeakPolarHBondContact O-CA 3.38Å; Y229-Q239 HydrophobicContact CD1-CB 4.16Å; Y229-Q239 HydrophobicContact CD1-CG 4.01Å; Y229-Q239 HydrophobicContact CE1-CB 4.29Å; Y229-Q239 VanDerWaalsContact CE1-CD 3.44Å; Y229-Q239 HydrophobicContact CE1-CG 3.81Å; Y229-Q239 VanDerWaalsContact CE1-NE2 3.35Å; Y229-Q239 PolarHBondContact OH-NE2 3.05Å; Y229-Q239 VanDerWaalsContact OH-NE2 3.17Å; Q239-F241 HydrophobicContact CB-CE2 4.48Å; Q239-F241 HydrophobicContact CG-CD2 4.26Å; Q239-F241 HydrophobicContact CG-CE2 3.7Å; Q239-F241 HydrophobicContact CG-CZ 3.91Å |
| 240 | T | 59.1 | Low | 62.6 | Low | 54 Ų | 54 | 102.1 Ų | 102.1 | 33% | 0.331 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.2 | 176.8 | -54.1 | 0 | 0 | 0 | 0 | 109.4 | G227 T228 Y242 | G227-T240 CarbonylContact C-O 3.57Å; G227-T240 WeakPolarHBondContact CA-O 3.49Å; T228-T240 PolarHBondContact N-O 2.64Å; T228-T240 PolarHBondContact O-N 2.95Å; T240-Y242 HydrophobicContact CG2-CD2 4.47Å; T240-Y242 HydrophobicContact CG2-CE1 4.33Å; T240-Y242 HydrophobicContact CG2-CE2 3.73Å |
| 241 | F | 58.3 | Low | 61.8 | Low | 112 Ų | 112 | 100.9 Ų | 100.9 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 138.3 | 177.1 | -65.1 | -93.4 | 0 | 0 | 0 | 111 | Q239 | Q239-F241 HydrophobicContact CB-CE2 4.48Å; Q239-F241 HydrophobicContact CG-CD2 4.26Å; Q239-F241 HydrophobicContact CG-CE2 3.7Å; Q239-F241 HydrophobicContact CG-CZ 3.91Å |
| 242 | Y | 52.5 | Low | 61.4 | Low | 132 Ų | 132 | 105 Ų | 105 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.2 | 169.8 | -58.1 | -87.2 | 0 | 0 | 0 | 109.7 | A226 T240 | A226-Y242 PolarHBondContact N-O 3.09Å; A226-Y242 PolarHBondContact O-N 2.75Å; T240-Y242 HydrophobicContact CG2-CD2 4.47Å; T240-Y242 HydrophobicContact CG2-CE1 4.33Å; T240-Y242 HydrophobicContact CG2-CE2 3.73Å |
| 243 | T | 46.7 | Very low | 60.7 | Low | 93 Ų | 93 | 105.1 Ų | 105.1 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.1 | 172.7 | -40.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 244 | V | 43.5 | Very low | 60.6 | Low | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.3 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | F224 M246 | F224-V244 PolarHBondContact O-N 3.4Å; V244-M246 HydrophobicContact CG1-CE 4.22Å; V244-M246 HydrophobicContact CG1-CG 4.28Å |
| 245 | E | 45.7 | Very low | 59.7 | Low | 153 Ų | 153 | 94.8 Ų | 94.8 | 72% | 0.715 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 114.2 | 176.6 | -168.2 | 172.7 | -156.5 | 0 | 0 | 110 | ||
| 246 | M | 43.2 | Very low | 59.2 | Low | 65 Ų | 65 | 94.5 Ų | 94.5 | 32% | 0.32 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.5 | -173.4 | -83 | -77.9 | -172.2 | 0 | 0 | 111.7 | V244 T248 L250 | V244-M246 HydrophobicContact CG1-CE 4.22Å; V244-M246 HydrophobicContact CG1-CG 4.28Å; M246-T248 PolarHBondContact O-N 3.3Å; M246-L250 HydrophobicContact SD-CD2 3.98Å |
| 247 | S | 44.1 | Very low | 59.1 | Low | 85 Ų | 85 | 96.7 Ų | 96.7 | 59% | 0.594 | 49% | 0.493 | S | S | * | . | trans | -61.6 | 132.1 | 169.5 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | K249 L250 | S247-K249 PolarHBondContact O-N 3.11Å; S247-L250 WeakPolarHBondContact O-CB 3.44Å; S247-L250 PolarHBondContact O-N 3.44Å | ||
| 248 | T | 48.1 | Very low | 59.1 | Low | 73 Ų | 73 | 97.1 Ų | 97.1 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.9 | -23 | -171.7 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | S220 M246 | S220-T248 WeakPolarHBondContact O-CG2 3.26Å; M246-T248 PolarHBondContact O-N 3.3Å |
| 249 | K | 50.2 | Low | 59.4 | Low | 185 Ų | 185 | 99.6 Ų | 99.6 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77.3 | -23.6 | 175.6 | -67.3 | -174.7 | 179.1 | -179.9 | 0 | 114 | S247 | S247-K249 PolarHBondContact O-N 3.11Å |
| 250 | L | 52.8 | Low | 59.7 | Low | 85 Ų | 85 | 99.4 Ų | 99.4 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -82.2 | -29.8 | -178.5 | -154.4 | 68.9 | 0 | 0 | 0 | 112.1 | M246 S247 R252 L253 N254 | M246-L250 HydrophobicContact SD-CD2 3.98Å; S247-L250 WeakPolarHBondContact O-CB 3.44Å; S247-L250 PolarHBondContact O-N 3.44Å; L250-R252 PolarHBondContact O-N 3.33Å; L250-L253 PolarHBondContact O-N 2.83Å; L250-N254 PolarHBondContact O-N 3.25Å; L250-N254 VanDerWaalsContact O-N 3.16Å |
| 251 | S | 57.7 | Low | 60.4 | Low | 56 Ų | 56 | 105.5 Ų | 105.5 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -51.5 | -55.5 | 179.3 | 174.8 | 0 | 0 | 0 | 0 | 113 | L253 N254 E255 | S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 3.03Å; S251-N254 PolarHBondContact O-N 3.19Å; S251-E255 WeakPolarHBondContact O-CB 3.29Å; S251-E255 PolarHBondContact O-N 2.72Å |
| 252 | R | 63.2 | Low | 61 | Low | 199 Ų | 199 | 105.2 Ų | 105.2 | 75% | 0.751 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -28.4 | -177.3 | -69.3 | -172.7 | 176.7 | -168 | -1.7 | 114.3 | L250 A256 | L250-R252 PolarHBondContact O-N 3.33Å; R252-A256 WeakPolarHBondContact O-CB 3.49Å; R252-A256 PolarHBondContact O-N 2.04Å; R252-A256 VanDerWaalsContact O-N 3.12Å |
| 253 | L | 68.1 | Low | 62.2 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.3 | -42.3 | 176.4 | -175.1 | 64.4 | 0 | 0 | 0 | 110.8 | L250 S251 A256 Q257 | L250-L253 PolarHBondContact O-N 2.83Å; S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 3.03Å; L253-A256 PolarHBondContact O-N 3.45Å; L253-Q257 WeakPolarHBondContact O-CG 3.08Å; L253-Q257 PolarHBondContact O-N 3.15Å |
| 254 | N | 73.5 | Confident | 63.7 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 33% | 0.326 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.9 | -68 | -14.4 | 0 | 0 | 0 | 111.5 | L250 S251 Q257 M258 | L250-N254 PolarHBondContact O-N 3.25Å; L250-N254 VanDerWaalsContact O-N 3.16Å; S251-N254 PolarHBondContact O-N 3.19Å; N254-Q257 PolarHBondContact O-N 3.19Å; N254-M258 WeakPolarHBondContact O-CB 3.42Å; N254-M258 PolarHBondContact O-N 2.84Å |
| 255 | E | 70.2 | Confident | 65 | Low | 115 Ų | 115 | 105.4 Ų | 105.4 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -49.9 | 174.3 | -175.4 | 178.3 | -160.6 | 0 | 0 | 111.7 | S251 Q257 M258 L259 | S251-E255 WeakPolarHBondContact O-CB 3.29Å; S251-E255 PolarHBondContact O-N 2.72Å; E255-Q257 PolarHBondContact O-N 2.99Å; E255-M258 WeakPolarHBondContact O-CB 3.47Å; E255-M258 PolarHBondContact O-N 3.28Å; E255-L259 PolarHBondContact O-N 3.01Å |
| 256 | A | 69.8 | Low | 66.4 | Low | 49 Ų | 49 | 101.3 Ų | 101.3 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R252 L253 M258 L259 V260 | R252-A256 WeakPolarHBondContact O-CB 3.49Å; R252-A256 PolarHBondContact O-N 2.04Å; R252-A256 VanDerWaalsContact O-N 3.12Å; L253-A256 PolarHBondContact O-N 3.45Å; A256-M258 VanDerWaalsContact C-N 3.33Å; A256-M258 PolarHBondContact O-N 3.02Å; A256-L259 PolarHBondContact O-N 3.42Å; A256-V260 WeakPolarHBondContact O-CG2 3.02Å; A256-V260 PolarHBondContact O-N 2.92Å |
| 257 | Q | 76.2 | Confident | 67.8 | Low | 97 Ų | 97 | 103.3 Ų | 103.3 | 45% | 0.453 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -34 | 175.6 | -74.6 | -173.3 | -4.4 | 0 | 0 | 112.9 | L253 N254 E255 R261 | L253-Q257 WeakPolarHBondContact O-CG 3.08Å; L253-Q257 PolarHBondContact O-N 3.15Å; N254-Q257 PolarHBondContact O-N 3.19Å; E255-Q257 PolarHBondContact O-N 2.99Å; Q257-R261 WeakPolarHBondContact O-CG 3.34Å; Q257-R261 PolarHBondContact O-N 3.25Å; Q257-R261 VanDerWaalsContact O-N 3.09Å |
| 258 | M | 75.5 | Confident | 69.2 | Low | 125 Ų | 125 | 104 Ų | 104 | 62% | 0.616 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -45 | 175.2 | -169.4 | -176.1 | -62.3 | 0 | 0 | 111.1 | N254 E255 A256 R261 M262 | N254-M258 WeakPolarHBondContact O-CB 3.42Å; N254-M258 PolarHBondContact O-N 2.84Å; E255-M258 WeakPolarHBondContact O-CB 3.47Å; E255-M258 PolarHBondContact O-N 3.28Å; A256-M258 VanDerWaalsContact C-N 3.33Å; A256-M258 PolarHBondContact O-N 3.02Å; M258-R261 PolarHBondContact O-N 3.31Å; M258-M262 WeakPolarHBondContact O-CB 3.44Å; M258-M262 PolarHBondContact O-N 3.39Å |
| 259 | L | 76.8 | Confident | 70.2 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.9 | -71.1 | 170.4 | 0 | 0 | 0 | 112.2 | E255 A256 R261 M262 L263 | E255-L259 PolarHBondContact O-N 3.01Å; A256-L259 PolarHBondContact O-N 3.42Å; L259-R261 PolarHBondContact O-N 3.15Å; L259-M262 HydrophobicContact CD2-CE 4.48Å; L259-M262 PolarHBondContact O-N 3.45Å; L259-L263 WeakPolarHBondContact O-CG 3.25Å; L259-L263 PolarHBondContact O-N 2.99Å |
| 260 | V | 77.5 | Confident | 70.7 | Confident | 84 Ų | 84 | 97.9 Ų | 97.9 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | A256 M262 L263 Q264 | A256-V260 WeakPolarHBondContact O-CG2 3.02Å; A256-V260 PolarHBondContact O-N 2.92Å; V260-M262 PolarHBondContact O-N 3.15Å; V260-L263 PolarHBondContact O-N 3.03Å; V260-Q264 WeakPolarHBondContact O-CB 3.42Å; V260-Q264 PolarHBondContact O-N 3.37Å |
| 261 | R | 74.4 | Confident | 71.1 | Confident | 181 Ų | 181 | 100.6 Ų | 100.6 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 176.2 | -73.5 | 177.1 | 178.9 | 178.6 | 1.7 | 112.8 | Q257 M258 L259 Q264 S265 | Q257-R261 WeakPolarHBondContact O-CG 3.34Å; Q257-R261 PolarHBondContact O-N 3.25Å; Q257-R261 VanDerWaalsContact O-N 3.09Å; M258-R261 PolarHBondContact O-N 3.31Å; L259-R261 PolarHBondContact O-N 3.15Å; R261-Q264 PolarHBondContact O-N 3.39Å; R261-S265 WeakPolarHBondContact O-CB 3.35Å; R261-S265 PolarHBondContact O-N 2.98Å |
| 262 | M | 72.2 | Confident | 71.6 | Confident | 106 Ų | 106 | 105 Ų | 105 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 178 | -164.3 | -169.8 | -53 | 0 | 0 | 111.5 | M258 L259 V260 S266 | M258-M262 WeakPolarHBondContact O-CB 3.44Å; M258-M262 PolarHBondContact O-N 3.39Å; L259-M262 HydrophobicContact CD2-CE 4.48Å; L259-M262 PolarHBondContact O-N 3.45Å; V260-M262 PolarHBondContact O-N 3.15Å; M262-S266 WeakPolarHBondContact O-CB 3.36Å; M262-S266 PolarHBondContact O-N 3.22Å; M262-S266 PolarHBondContact O-OG 2.72Å |
| 263 | L | 76.6 | Confident | 71 | Confident | 123 Ų | 123 | 97.7 Ų | 97.7 | 64% | 0.644 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -42.5 | 173.9 | -71 | 170.3 | 0 | 0 | 0 | 112.2 | L259 V260 S266 L267 | L259-L263 WeakPolarHBondContact O-CG 3.25Å; L259-L263 PolarHBondContact O-N 2.99Å; V260-L263 PolarHBondContact O-N 3.03Å; L263-S266 PolarHBondContact O-N 2.69Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 PolarHBondContact O-N 2.79Å |
| 264 | Q | 78.7 | Confident | 69.9 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 175.9 | -179.4 | 179.7 | -15.1 | 0 | 0 | 111.3 | V260 R261 S266 L267 E268 | V260-Q264 WeakPolarHBondContact O-CB 3.42Å; V260-Q264 PolarHBondContact O-N 3.37Å; R261-Q264 PolarHBondContact O-N 3.39Å; Q264-S266 VanDerWaalsContact C-N 3.3Å; Q264-S266 PolarHBondContact O-N 3.22Å; Q264-L267 PolarHBondContact O-N 3.47Å; Q264-L267 VanDerWaalsContact O-N 3.13Å; Q264-E268 HydrophobicContact CG-CG 4.47Å; Q264-E268 VanDerWaalsContact CG-OE1 3.31Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.39Å; Q264-E268 PolarHBondContact NE2-OE1 2.95Å; Q264-E268 WeakPolarHBondContact O-CG 3.4Å; Q264-E268 PolarHBondContact O-N 2.81Å |
| 265 | S | 70.6 | Confident | 68.3 | Low | 77 Ų | 77 | 101.5 Ų | 101.5 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | R261 E268 G269 | R261-S265 WeakPolarHBondContact O-CB 3.35Å; R261-S265 PolarHBondContact O-N 2.98Å; S265-E268 PolarHBondContact O-N 2.79Å; S265-G269 PolarHBondContact O-N 3.02Å |
| 266 | S | 74.8 | Confident | 66.7 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | M262 L263 Q264 G269 L270 | M262-S266 WeakPolarHBondContact O-CB 3.36Å; M262-S266 PolarHBondContact O-N 3.22Å; M262-S266 PolarHBondContact O-OG 2.72Å; L263-S266 PolarHBondContact O-N 2.69Å; Q264-S266 VanDerWaalsContact C-N 3.3Å; Q264-S266 PolarHBondContact O-N 3.22Å; S266-G269 PolarHBondContact O-N 3.2Å; S266-L270 WeakPolarHBondContact O-CB 3.39Å; S266-L270 WeakPolarHBondContact O-CG 3.18Å; S266-L270 PolarHBondContact O-N 3.29Å |
| 267 | L | 72.1 | Confident | 65 | Low | 107 Ų | 107 | 104.7 Ų | 104.7 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.9 | -40.9 | 177.1 | -177.6 | 62.5 | 0 | 0 | 0 | 112 | L263 Q264 L270 M271 | L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 PolarHBondContact O-N 2.79Å; Q264-L267 PolarHBondContact O-N 3.47Å; Q264-L267 VanDerWaalsContact O-N 3.13Å; L267-L270 PolarHBondContact O-N 3.25Å; L267-M271 HydrophobicContact CD1-CG 4.38Å; L267-M271 WeakPolarHBondContact O-CB 3.4Å; L267-M271 WeakPolarHBondContact O-CG 3.45Å; L267-M271 PolarHBondContact O-N 3.43Å |
| 268 | E | 74 | Confident | 63.2 | Low | 98 Ų | 98 | 106.5 Ų | 106.5 | 46% | 0.458 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -43.5 | 173.5 | -72.9 | 169.9 | -173.9 | 0 | 0 | 111 | Q264 S265 M271 L272 | Q264-E268 HydrophobicContact CG-CG 4.47Å; Q264-E268 VanDerWaalsContact CG-OE1 3.31Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.39Å; Q264-E268 PolarHBondContact NE2-OE1 2.95Å; Q264-E268 WeakPolarHBondContact O-CG 3.4Å; Q264-E268 PolarHBondContact O-N 2.81Å; S265-E268 PolarHBondContact O-N 2.79Å; E268-M271 PolarHBondContact O-N 3.44Å; E268-L272 WeakPolarHBondContact O-CB 3.1Å; E268-L272 WeakPolarHBondContact O-CG 3.47Å; E268-L272 PolarHBondContact O-N 3.47Å |
| 269 | G | 68.3 | Low | 61.6 | Low | 39 Ų | 39 | 105.9 Ų | 105.9 | 40% | 0.402 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.9 | -44.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S265 S266 M271 L272 S273 | S265-G269 PolarHBondContact O-N 3.02Å; S266-G269 PolarHBondContact O-N 3.2Å; G269-M271 PolarHBondContact O-N 3.13Å; G269-L272 PolarHBondContact O-N 3.21Å; G269-S273 WeakPolarHBondContact O-CB 3.44Å; G269-S273 PolarHBondContact O-N 2.94Å |
| 270 | L | 62 | Low | 59.5 | Low | 91 Ų | 91 | 105 Ų | 105 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.3 | -40.3 | 174.8 | -80.6 | 162.5 | 0 | 0 | 0 | 112.4 | S266 L267 S273 L304 | S266-L270 WeakPolarHBondContact O-CB 3.39Å; S266-L270 WeakPolarHBondContact O-CG 3.18Å; S266-L270 PolarHBondContact O-N 3.29Å; L267-L270 PolarHBondContact O-N 3.25Å; L270-S273 PolarHBondContact O-N 3.31Å; L270-S273 PolarHBondContact O-OG 3.34Å; L270-L304 HydrophobicContact CD1-CD2 3.91Å |
| 271 | M | 61.7 | Low | 57.6 | Low | 143 Ų | 143 | 104 Ų | 104 | 70% | 0.704 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73 | -28.3 | 179.7 | -69.7 | -79.6 | -84.1 | 0 | 0 | 113.1 | L267 E268 G269 | L267-M271 HydrophobicContact CD1-CG 4.38Å; L267-M271 WeakPolarHBondContact O-CB 3.4Å; L267-M271 WeakPolarHBondContact O-CG 3.45Å; L267-M271 PolarHBondContact O-N 3.43Å; E268-M271 PolarHBondContact O-N 3.44Å; G269-M271 PolarHBondContact O-N 3.13Å |
| 272 | L | 67.6 | Low | 55.8 | Low | 147 Ų | 147 | 100.3 Ų | 100.3 | 77% | 0.77 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81.4 | -20.7 | 171.3 | -70.3 | 170.1 | 0 | 0 | 0 | 112.8 | E268 G269 N274 | E268-L272 WeakPolarHBondContact O-CB 3.1Å; E268-L272 WeakPolarHBondContact O-CG 3.47Å; E268-L272 PolarHBondContact O-N 3.47Å; G269-L272 PolarHBondContact O-N 3.21Å; L272-N274 PolarHBondContact O-N 3.15Å |
| 273 | S | 50.5 | Low | 54.2 | Low | 47 Ų | 47 | 100.4 Ų | 100.4 | 33% | 0.329 | 61% | 0.613 | S | S | . | * | trans | -72.7 | 120.4 | 177 | 81.5 | 0 | 0 | 0 | 0 | 111 | G269 L270 V275 | G269-S273 WeakPolarHBondContact O-CB 3.44Å; G269-S273 PolarHBondContact O-N 2.94Å; L270-S273 PolarHBondContact O-N 3.31Å; L270-S273 PolarHBondContact O-OG 3.34Å; S273-V275 PolarHBondContact O-N 2.7Å | ||
| 274 | N | 45.2 | Very low | 52.3 | Low | 155 Ų | 155 | 97.6 Ų | 97.6 | 83% | 0.829 | 60% | 0.603 | S | S | * | * | trans | -74.3 | 35.7 | 174.5 | -83 | -36.2 | 0 | 0 | 0 | 112.6 | L272 T276 | L272-N274 PolarHBondContact O-N 3.15Å; N274-T276 PolarHBondContact O-N 3.31Å; N274-T276 VanDerWaalsContact O-N 3.09Å | ||
| 275 | V | 40.7 | Very low | 50.2 | Low | 84 Ų | 84 | 100.1 Ų | 100.1 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | trans | -71.8 | 106.3 | -178.4 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | S273 L277 | S273-V275 PolarHBondContact O-N 2.7Å; V275-L277 VanDerWaalsContact C-N 3.3Å; V275-L277 PolarHBondContact O-N 3.06Å | ||
| 276 | T | 36 | Very low | 48.8 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | -68.8 | 84.5 | 172.3 | 14.5 | 0 | 0 | 0 | 0 | 110.4 | N274 T278 | N274-T276 PolarHBondContact O-N 3.31Å; N274-T276 VanDerWaalsContact O-N 3.09Å; T276-T278 PolarHBondContact O-N 3.29Å | ||
| 277 | L | 32.9 | Very low | 47.4 | Very low | 101 Ų | 101 | 107.2 Ų | 107.2 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | trans | -55.1 | 102.6 | 168 | -78.9 | 163.4 | 0 | 0 | 0 | 110 | V275 T279 L303 | V275-L277 VanDerWaalsContact C-N 3.3Å; V275-L277 PolarHBondContact O-N 3.06Å; L277-T279 PolarHBondContact O-N 3.35Å; L277-L303 HydrophobicContact CD2-CD1 4.43Å | ||
| 278 | T | 39.3 | Very low | 45.8 | Very low | 135 Ų | 135 | 105.2 Ų | 105.2 | 83% | 0.828 | 64% | 0.64 | S | S | * | * | trans | -67.5 | 119.5 | 176.8 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | T276 G280 | T276-T278 PolarHBondContact O-N 3.29Å; T278-G280 VanDerWaalsContact C-N 3.31Å; T278-G280 PolarHBondContact O-N 3.45Å | ||
| 279 | T | 42.2 | Very low | 43.9 | Very low | 112 Ų | 112 | 103.8 Ų | 103.8 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | trans | -80.5 | 68.9 | -165.3 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | L277 | L277-T279 PolarHBondContact O-N 3.35Š| ||
| 280 | G | 32.2 | Very low | 42.7 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 76% | 0.763 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -75.1 | 125.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T278 | T278-G280 VanDerWaalsContact C-N 3.31Å; T278-G280 PolarHBondContact O-N 3.45Å |
| 281 | G | 37.2 | Very low | 41.9 | Very low | 65 Ų | 65 | 108 Ų | 108 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 80.7 | 26.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | K299 | G281-K299 PolarHBondContact O-NZ 2.8Å; G281-K299 VanDerWaalsContact O-NZ 3.09Å |
| 282 | L | 37.4 | Very low | 41.7 | Very low | 102 Ų | 102 | 105.1 Ų | 105.1 | 53% | 0.534 | 64% | 0.644 | S | S | . | * | trans | -126.4 | 83.7 | 170 | -87.3 | 162.8 | 0 | 0 | 0 | 111.2 | C284 | L282-C284 PolarHBondContact O-N 3.49Š| ||
| 283 | A | 38 | Very low | 42 | Very low | 109 Ų | 109 | 100.6 Ų | 100.6 | 90% | 0.901 | 63% | 0.633 | S | S | * | * | trans | -83.4 | 93.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 284 | C | 36.5 | Very low | 42.7 | Very low | 63 Ų | 63 | 105.6 Ų | 105.6 | 43% | 0.426 | 65% | 0.649 | S | S | . | * | trans | -86.4 | 124.8 | 163.4 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | L282 C289 | L282-C284 PolarHBondContact O-N 3.49Å; C284-C289 HydrophobicContact CB-CB 4.2Å; C284-C289 WeakPolarHBondContact CB-SG 3.03Å; C284-C289 WeakPolarHBondContact SG-CB 3.5Å; C284-C289 CovalentContact SG-SG 2.04Å; C284-C289 PolarHBondContact SG-SG 3.27Å | ||
| 285 | H | 35 | Very low | 43.6 | Very low | 155 Ų | 155 | 100.7 Ų | 100.7 | 72% | 0.718 | 63% | 0.625 | S | S | * | * | B | Isolated β-bridge | trans | -74.5 | 153.8 | 167.7 | -153.5 | -89.6 | 0 | 0 | 0 | 110.2 | S287 S288 | H285-S287 PolarHBondContact O-N 3.33Å; H285-S288 PolarHBondContact O-N 3.02Å |
| 286 | E | 41.3 | Very low | 44.7 | Very low | 176 Ų | 176 | 98.8 Ų | 98.8 | 82% | 0.822 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -12.2 | -145.1 | -58.6 | -169.7 | 108.9 | 0 | 0 | 118.3 | ||
| 287 | S | 44.8 | Very low | 46.2 | Very low | 118 Ų | 118 | 97.2 Ų | 97.2 | 83% | 0.825 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | -7.6 | -177 | 59.1 | 0 | 0 | 0 | 0 | 115.5 | H285 | H285-S287 PolarHBondContact O-N 3.33Š|
| 288 | S | 38.3 | Very low | 48.1 | Very low | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | B | Isolated β-bridge | trans | -153.3 | 119.5 | 174.8 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | H285 I290 | H285-S288 PolarHBondContact O-N 3.02Å; S288-I290 PolarHBondContact O-N 3.19Å |
| 289 | C | 35.4 | Very low | 49.6 | Very low | 67 Ų | 67 | 96.2 Ų | 96.2 | 45% | 0.453 | 58% | 0.583 | S | S | . | * | trans | -84.3 | 83.2 | 160.6 | -65.3 | 0 | 0 | 0 | 0 | 108.7 | C284 C291 | C284-C289 HydrophobicContact CB-CB 4.2Å; C284-C289 WeakPolarHBondContact CB-SG 3.03Å; C284-C289 WeakPolarHBondContact SG-CB 3.5Å; C284-C289 CovalentContact SG-SG 2.04Å; C284-C289 PolarHBondContact SG-SG 3.27Å; C289-C291 PolarHBondContact O-N 3.31Å | ||
| 290 | I | 41.6 | Very low | 51 | Low | 152 Ų | 152 | 94.9 Ų | 94.9 | 78% | 0.779 | 57% | 0.57 | S | S | * | * | trans | -76.4 | 102.8 | 168.1 | -58 | 178.6 | 0 | 0 | 0 | 107.6 | S288 | S288-I290 PolarHBondContact O-N 3.19Š| ||
| 291 | C | 46.4 | Very low | 53 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | trans | -108.5 | 125.8 | 160.6 | -67.4 | 0 | 0 | 0 | 0 | 107.4 | C289 C296 | C289-C291 PolarHBondContact O-N 3.31Å; C291-C296 HydrophobicContact CB-CB 4.36Å | ||
| 292 | D | 57.9 | Low | 54.7 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | trans | -65.2 | 151.7 | 159.5 | 71.2 | 82.9 | 0 | 0 | 0 | 109.1 | F294 T295 C296 | D292-F294 PolarHBondContact O-N 3.17Å; D292-F294 WeakPolarHBondContact OD1-CA 3.48Å; D292-F294 WeakPolarHBondContact OD1-CB 3.27Å; D292-F294 PolarHBondContact OD1-N 2.72Å; D292-T295 VanDerWaalsContact CG-OG1 3.31Å; D292-T295 PolarHBondContact OD1-N 2.82Å; D292-T295 PolarHBondContact OD1-OG1 3.04Å; D292-T295 VanDerWaalsContact OD2-CB 3.28Å; D292-T295 WeakPolarHBondContact OD2-CB 3.24Å; D292-T295 PolarHBondContact OD2-OG1 2.92Å; D292-C296 PolarHBondContact O-N 3.08Å | ||
| 293 | G | 72.5 | Confident | 56.5 | Low | 52 Ų | 52 | 98.8 Ų | 98.8 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -27 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L297 | G293-L297 WeakPolarHBondContact O-CB 2.95Å; G293-L297 WeakPolarHBondContact O-CD1 3.38Å; G293-L297 VanDerWaalsContact O-CG 3.29Å; G293-L297 WeakPolarHBondContact O-CG 3.35Å; G293-L297 PolarHBondContact O-N 3.36Å |
| 294 | F | 64.9 | Low | 58.2 | Low | 151 Ų | 151 | 96.8 Ų | 96.8 | 66% | 0.662 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.7 | -49.1 | -176.7 | -171.3 | -91.3 | 0 | 0 | 0 | 111.2 | D292 C296 L297 Q298 | D292-F294 PolarHBondContact O-N 3.17Å; D292-F294 WeakPolarHBondContact OD1-CA 3.48Å; D292-F294 WeakPolarHBondContact OD1-CB 3.27Å; D292-F294 PolarHBondContact OD1-N 2.72Å; F294-C296 PolarHBondContact O-N 2.8Å; F294-L297 PolarHBondContact O-N 3.48Å; F294-Q298 WeakPolarHBondContact O-CB 3.03Å; F294-Q298 PolarHBondContact O-N 3.43Å |
| 295 | T | 65.3 | Low | 60 | Low | 53 Ų | 53 | 96.3 Ų | 96.3 | 33% | 0.325 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -36.3 | 173.4 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | D292 K299 | D292-T295 VanDerWaalsContact CG-OG1 3.31Å; D292-T295 PolarHBondContact OD1-N 2.82Å; D292-T295 PolarHBondContact OD1-OG1 3.04Å; D292-T295 VanDerWaalsContact OD2-CB 3.28Å; D292-T295 WeakPolarHBondContact OD2-CB 3.24Å; D292-T295 PolarHBondContact OD2-OG1 2.92Å; T295-K299 WeakPolarHBondContact O-CG 3.43Å; T295-K299 PolarHBondContact O-N 3.48Å; T295-K299 VanDerWaalsContact O-N 3.11Å |
| 296 | C | 64.5 | Low | 61.8 | Low | 43 Ų | 43 | 92.6 Ų | 92.6 | 29% | 0.291 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -53.2 | 174.6 | -167 | 0 | 0 | 0 | 0 | 111.7 | C291 D292 F294 Q298 K299 I300 | C291-C296 HydrophobicContact CB-CB 4.36Å; D292-C296 PolarHBondContact O-N 3.08Å; F294-C296 PolarHBondContact O-N 2.8Å; C296-Q298 PolarHBondContact O-N 2.88Å; C296-K299 PolarHBondContact O-N 3.11Å; C296-I300 WeakPolarHBondContact O-CG1 2.98Å; C296-I300 PolarHBondContact O-N 3.11Å |
| 297 | L | 67.6 | Low | 63.1 | Low | 99 Ų | 99 | 89.2 Ų | 89.2 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 176.9 | -75.1 | 166.5 | 0 | 0 | 0 | 112 | G293 F294 K299 I300 S301 | G293-L297 WeakPolarHBondContact O-CB 2.95Å; G293-L297 WeakPolarHBondContact O-CD1 3.38Å; G293-L297 VanDerWaalsContact O-CG 3.29Å; G293-L297 WeakPolarHBondContact O-CG 3.35Å; G293-L297 PolarHBondContact O-N 3.36Å; F294-L297 PolarHBondContact O-N 3.48Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 2.8Å; L297-I300 PolarHBondContact O-N 2.96Å; L297-S301 PolarHBondContact O-N 2.97Å; L297-S301 PolarHBondContact O-OG 3.41Å; L297-S301 VanDerWaalsContact O-OG 3.12Å |
| 298 | Q | 71.7 | Confident | 64.3 | Low | 122 Ų | 122 | 90.3 Ų | 90.3 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 179.7 | -168.1 | -179.8 | 13.6 | 0 | 0 | 112.2 | F294 C296 R302 | F294-Q298 WeakPolarHBondContact O-CB 3.03Å; F294-Q298 PolarHBondContact O-N 3.43Å; C296-Q298 PolarHBondContact O-N 2.88Å; Q298-R302 WeakPolarHBondContact O-CB 3.44Å; Q298-R302 PolarHBondContact O-N 2.9Å; Q298-R302 VanDerWaalsContact O-N 3.12Å |
| 299 | K | 70.2 | Confident | 65.8 | Low | 93 Ų | 93 | 91 Ų | 91 | 40% | 0.404 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 173.6 | -75.9 | -173.6 | 177.3 | -171.5 | 0 | 112.2 | G281 T295 C296 L297 R302 L303 | G281-K299 PolarHBondContact O-NZ 2.8Å; G281-K299 VanDerWaalsContact O-NZ 3.09Å; T295-K299 WeakPolarHBondContact O-CG 3.43Å; T295-K299 PolarHBondContact O-N 3.48Å; T295-K299 VanDerWaalsContact O-N 3.11Å; C296-K299 PolarHBondContact O-N 3.11Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 2.8Å; K299-R302 PolarHBondContact O-N 2.84Å; K299-L303 WeakPolarHBondContact O-CG 3.47Å; K299-L303 PolarHBondContact O-N 2.85Å |
| 300 | I | 72.9 | Confident | 67.1 | Low | 84 Ų | 84 | 92.7 Ų | 92.7 | 43% | 0.431 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 176.2 | -67.6 | 165.2 | 0 | 0 | 0 | 110.7 | C296 L297 R302 L303 L304 | C296-I300 WeakPolarHBondContact O-CG1 2.98Å; C296-I300 PolarHBondContact O-N 3.11Å; L297-I300 PolarHBondContact O-N 2.96Å; I300-R302 VanDerWaalsContact C-N 3.27Å; I300-R302 PolarHBondContact O-N 3.3Å; I300-L303 PolarHBondContact O-N 3.37Å; I300-L304 HydrophobicContact CG2-CD1 4.04Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 3.42Å |
| 301 | S | 73.5 | Confident | 67.7 | Low | 73 Ų | 73 | 92 Ų | 92 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | L297 A305 | L297-S301 PolarHBondContact O-N 2.97Å; L297-S301 PolarHBondContact O-OG 3.41Å; L297-S301 VanDerWaalsContact O-OG 3.12Å; S301-A305 PolarHBondContact O-N 3.48Å; S301-A305 VanDerWaalsContact O-N 3.07Å |
| 302 | R | 73.8 | Confident | 68 | Low | 171 Ų | 171 | 91.9 Ų | 91.9 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -46.2 | 175.3 | -179.8 | 174 | 171 | 149.9 | 7.8 | 112.3 | Q298 K299 I300 L304 A305 E306 | Q298-R302 WeakPolarHBondContact O-CB 3.44Å; Q298-R302 PolarHBondContact O-N 2.9Å; Q298-R302 VanDerWaalsContact O-N 3.12Å; K299-R302 PolarHBondContact O-N 2.84Å; I300-R302 VanDerWaalsContact C-N 3.27Å; I300-R302 PolarHBondContact O-N 3.3Å; R302-L304 VanDerWaalsContact C-N 3.29Å; R302-L304 PolarHBondContact O-N 3Å; R302-A305 PolarHBondContact O-N 2.03Å; R302-E306 IonicContact CZ-OE1 2.67Å; R302-E306 VanDerWaalsContact CZ-OE1 3.3Å; R302-E306 IonicContact NE-OE1 2.75Å; R302-E306 PolarHBondContact NE-OE1 2.04Å; R302-E306 IonicContact NH2-OE1 2.64Å; R302-E306 PolarHBondContact NH2-OE1 3.11Å; R302-E306 WeakPolarHBondContact O-CG 3.41Å; R302-E306 PolarHBondContact O-N 3.37Å |
| 303 | L | 74.5 | Confident | 67.5 | Low | 79 Ų | 79 | 94.8 Ų | 94.8 | 41% | 0.414 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 177.5 | -72.4 | 169 | 0 | 0 | 0 | 111.9 | L277 K299 I300 E306 Q307 | L277-L303 HydrophobicContact CD2-CD1 4.43Å; K299-L303 WeakPolarHBondContact O-CG 3.47Å; K299-L303 PolarHBondContact O-N 2.85Å; I300-L303 PolarHBondContact O-N 3.37Å; L303-E306 PolarHBondContact O-N 3.43Å; L303-Q307 WeakPolarHBondContact O-CG 3.45Å; L303-Q307 PolarHBondContact O-N 3.41Å |
| 304 | L | 73.1 | Confident | 66.1 | Low | 66 Ų | 66 | 100.3 Ų | 100.3 | 35% | 0.346 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 172.9 | -71.2 | 168.4 | 0 | 0 | 0 | 111.7 | L270 I300 R302 E306 Q307 H308 | L270-L304 HydrophobicContact CD1-CD2 3.91Å; I300-L304 HydrophobicContact CG2-CD1 4.04Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 3.42Å; R302-L304 VanDerWaalsContact C-N 3.29Å; R302-L304 PolarHBondContact O-N 3Å; L304-E306 VanDerWaalsContact C-N 3.33Å; L304-E306 PolarHBondContact O-N 3.02Å; L304-Q307 PolarHBondContact O-N 3.3Å; L304-H308 PolarHBondContact O-CD2 3.1Å; L304-H308 PolarHBondContact O-N 3.15Å |
| 305 | A | 74 | Confident | 65.3 | Low | 53 Ų | 53 | 98.3 Ų | 98.3 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S301 R302 S309 | S301-A305 PolarHBondContact O-N 3.48Å; S301-A305 VanDerWaalsContact O-N 3.07Å; R302-A305 PolarHBondContact O-N 2.03Å; A305-S309 WeakPolarHBondContact O-CB 3.37Å; A305-S309 PolarHBondContact O-N 3.05Å; A305-S309 PolarHBondContact O-OG 3.45Å |
| 306 | E | 74.3 | Confident | 64.5 | Low | 78 Ų | 78 | 101.3 Ų | 101.3 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -42.5 | 175.6 | -72.3 | 169.1 | 175.4 | 0 | 0 | 111 | R302 L303 L304 S309 T310 | R302-E306 IonicContact CZ-OE1 2.67Å; R302-E306 VanDerWaalsContact CZ-OE1 3.3Å; R302-E306 IonicContact NE-OE1 2.75Å; R302-E306 PolarHBondContact NE-OE1 2.04Å; R302-E306 IonicContact NH2-OE1 2.64Å; R302-E306 PolarHBondContact NH2-OE1 3.11Å; R302-E306 WeakPolarHBondContact O-CG 3.41Å; R302-E306 PolarHBondContact O-N 3.37Å; L303-E306 PolarHBondContact O-N 3.43Å; L304-E306 VanDerWaalsContact C-N 3.33Å; L304-E306 PolarHBondContact O-N 3.02Å; E306-S309 PolarHBondContact O-N 2.72Å; E306-T310 PolarHBondContact O-N 2.88Å; E306-T310 PolarHBondContact O-OG1 3.14Å |
| 307 | Q | 68.8 | Low | 63.4 | Low | 105 Ų | 105 | 104.4 Ų | 104.4 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.6 | -46.3 | 173.6 | -71.5 | -66.2 | -50.2 | 0 | 0 | 113.3 | L303 L304 S309 T310 L311 | L303-Q307 WeakPolarHBondContact O-CG 3.45Å; L303-Q307 PolarHBondContact O-N 3.41Å; L304-Q307 PolarHBondContact O-N 3.3Å; Q307-S309 PolarHBondContact O-N 3Å; Q307-T310 PolarHBondContact O-N 3.37Å; Q307-L311 PolarHBondContact O-N 3.25Å; Q307-L311 VanDerWaalsContact O-N 3.09Å |
| 308 | H | 68.3 | Low | 62.3 | Low | 140 Ų | 140 | 110.6 Ų | 110.6 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61 | -34.8 | 176 | -78.8 | -66.4 | 0 | 0 | 0 | 112.1 | L304 G312 | L304-H308 PolarHBondContact O-CD2 3.1Å; L304-H308 PolarHBondContact O-N 3.15Å; H308-G312 PolarHBondContact O-N 2.96Å |
| 309 | S | 70.7 | Confident | 60.9 | Low | 80 Ų | 80 | 114 Ų | 114 | 56% | 0.559 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.3 | -39.3 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | A305 E306 Q307 G312 | A305-S309 WeakPolarHBondContact O-CB 3.37Å; A305-S309 PolarHBondContact O-N 3.05Å; A305-S309 PolarHBondContact O-OG 3.45Å; E306-S309 PolarHBondContact O-N 2.72Å; Q307-S309 PolarHBondContact O-N 3Å; S309-G312 PolarHBondContact O-N 3.18Å |
| 310 | T | 62.8 | Low | 60 | Low | 102 Ų | 102 | 115 Ų | 115 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.1 | -34.5 | 178.8 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | E306 Q307 G312 | E306-T310 PolarHBondContact O-N 2.88Å; E306-T310 PolarHBondContact O-OG1 3.14Å; Q307-T310 PolarHBondContact O-N 3.37Å; T310-G312 VanDerWaalsContact C-N 3.29Å; T310-G312 PolarHBondContact O-N 3.32Å |
| 311 | L | 54.4 | Low | 59.1 | Low | 139 Ų | 139 | 116.2 Ų | 116.2 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.4 | -13.4 | 178.5 | -73.3 | 165.8 | 0 | 0 | 0 | 114 | Q307 L313 | Q307-L311 PolarHBondContact O-N 3.25Å; Q307-L311 VanDerWaalsContact O-N 3.09Å; L311-L313 PolarHBondContact O-N 2.57Å |
| 312 | G | 53.1 | Low | 58.1 | Low | 62 Ų | 62 | 120.3 Ų | 120.3 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 0.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | H308 S309 T310 | H308-G312 PolarHBondContact O-N 2.96Å; S309-G312 PolarHBondContact O-N 3.18Å; T310-G312 VanDerWaalsContact C-N 3.29Å; T310-G312 PolarHBondContact O-N 3.32Å |
| 313 | L | 47.3 | Very low | 57.1 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | trans | -116.2 | 23.5 | -166.5 | -75.9 | 171.7 | 0 | 0 | 0 | 115.6 | L311 P315 | L311-L313 PolarHBondContact O-N 2.57Å; L313-P315 WeakPolarHBondContact O-CD 3.32Å | ||
| 314 | L | 42.2 | Very low | 55.9 | Low | 168 Ų | 168 | 123.4 Ų | 123.4 | 88% | 0.88 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 116 | 170.9 | -132.6 | 75.9 | 0 | 0 | 0 | 110.7 | ||
| 315 | P | 48.8 | Very low | 55.2 | Low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 149.4 | -177.1 | 30.4 | -35.2 | 0 | 0 | 0 | 112.3 | L313 A317 | L313-P315 WeakPolarHBondContact O-CD 3.32Å; P315-A317 PolarHBondContact O-N 3.24Å |
| 316 | P | 47.2 | Very low | 54 | Low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 129.4 | 179.5 | 29.2 | -34.5 | 0 | 0 | 0 | 111.6 | R318 | P316-R318 PolarHBondContact O-N 3.45Š|
| 317 | A | 42.7 | Very low | 52.9 | Low | 108 Ų | 108 | 131.3 Ų | 131.3 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P315 | P315-A317 PolarHBondContact O-N 3.24Š|
| 318 | R | 43.9 | Very low | 51.9 | Low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -123.1 | 104.2 | 172.1 | -81.7 | -169.7 | 168.7 | -166.6 | -3 | 111.7 | P316 | P316-R318 PolarHBondContact O-N 3.45Š| ||
| 319 | Q | 42.3 | Very low | 50.9 | Low | 194 Ų | 194 | 131.7 Ų | 131.7 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | 23.3 | 111.1 | 143.1 | -64.7 | 170.6 | -13.9 | 0 | 0 | 117.4 | ||||
| 320 | S | 51.3 | Low | 49.9 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -76 | 139.2 | 161.7 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 321 | S | 53.4 | Low | 49.1 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -120.8 | 91.4 | -178.2 | 163.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 322 | N | 53.3 | Low | 48.7 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -75.3 | 130.9 | 169.7 | -73.3 | -18.2 | 0 | 0 | 0 | 110.2 | ||||
| 323 | K | 52.9 | Low | 48.2 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | -132.5 | 124.4 | 176.8 | -166.2 | -179 | -176.6 | -174.3 | 0 | 109.8 | ||||
| 324 | P | 49.2 | Very low | 47.9 | Very low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -95.2 | 150.4 | -172.3 | 36 | -35.1 | 0 | 0 | 0 | 114.1 | ||||
| 325 | S | 57.4 | Low | 48 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | trans | -159.5 | 149.6 | 158 | -66.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 326 | G | 49.7 | Very low | 47.7 | Very low | 61 Ų | 61 | 142.8 Ų | 142.8 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | cis | 171 | 142.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 327 | D | 52.3 | Low | 47.5 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | 64.6 | 120.6 | 161.1 | -50.9 | -38 | 0 | 0 | 0 | 122.3 | ||||
| 328 | G | 47.6 | Very low | 47.8 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 81.8 | 149.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 329 | Q | 47.1 | Very low | 48.1 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -161 | 162.5 | -19.6 | -132.4 | -173.2 | 5.7 | 0 | 0 | 109.3 | ||||
| 330 | L | 49.6 | Very low | 48.4 | Very low | 135 Ų | 135 | 139 Ų | 139 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | trans | 10.1 | 144 | 146.9 | -64.5 | 169 | 0 | 0 | 0 | 120.3 | ||||
| 331 | D | 46.5 | Very low | 48.6 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | cis | -161.7 | 152.7 | -11.8 | -148.5 | -9.4 | 0 | 0 | 0 | 111.8 | ||||
| 332 | R | 45.4 | Very low | 48.7 | Very low | 210 Ų | 210 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -7.1 | 124.5 | 151.3 | -175.7 | -169.7 | -165.2 | -178.8 | 4 | 119.3 | ||||
| 333 | L | 42.9 | Very low | 49.1 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | -177.2 | 160.1 | 122.7 | -100.8 | 167.2 | 0 | 0 | 0 | 113.8 | |||||
| 334 | S | 40.5 | Very low | 49.6 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -96.6 | 157.3 | -178.1 | -39.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 335 | L | 43.6 | Very low | 50.2 | Low | 156 Ų | 156 | 137.8 Ų | 137.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -165 | 173.1 | 138.5 | -109.6 | 164.7 | 0 | 0 | 0 | 113.1 | ||||
| 336 | N | 42.9 | Very low | 50.9 | Low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -103.9 | -168.5 | -166.2 | -60.2 | -61.7 | 0 | 0 | 0 | 113.1 | ||||
| 337 | L | 44 | Very low | 50.9 | Low | 149 Ų | 149 | 142.8 Ų | 142.8 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | trans | 82.9 | 147.3 | 159.4 | -62.3 | 131.7 | 0 | 0 | 0 | 116 | ||||
| 338 | H | 48.8 | Very low | 50.9 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 65% | 0.653 | 82% | 0.819 | S | S | * | * | cis | -168.4 | -169.5 | -26 | -146.2 | 72.4 | 0 | 0 | 0 | 107.7 | ||||
| 339 | M | 48.7 | Very low | 51 | Low | 151 Ų | 151 | 144.9 Ų | 144.9 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | 69.9 | 145.5 | 170.3 | -46.2 | -53.5 | 168.7 | 0 | 0 | 114.1 | ||||
| 340 | D | 48.9 | Very low | 51.3 | Low | 126 Ų | 126 | 143.1 Ų | 143.1 | 67% | 0.674 | 82% | 0.821 | S | S | * | * | cis | 150.7 | 130 | -17.5 | -103.2 | -34.3 | 0 | 0 | 0 | 104.9 | ||||
| 341 | T | 55.5 | Low | 51.4 | Low | 148 Ų | 148 | 143.6 Ų | 143.6 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | 174.9 | 151.2 | 119.9 | 28.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 342 | A | 55 | Low | 51.7 | Low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -130.6 | 138.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 343 | S | 62.5 | Low | 52.2 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 88% | 0.881 | 84% | 0.84 | S | S | * | * | trans | -176 | 153 | 163.5 | -91.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 344 | S | 63.2 | Low | 52.9 | Low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 84% | 0.838 | S | S | * | * | cis | -149.2 | 151.1 | -1.5 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 345 | K | 62.4 | Low | 53.9 | Low | 205 Ų | 205 | 140.6 Ų | 140.6 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | trans | -1.3 | 132.1 | 156.9 | -56.6 | 169.6 | -178.2 | 174.8 | 0 | 117.9 | ||||
| 346 | G | 71.4 | Confident | 54.8 | Low | 155 Ų | 155 | 139.2 Ų | 139.2 | 100% | 1.598 | 85% | 0.849 | S | S | * | * | trans | -172.4 | 0 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 346 of 346 residues in 233.8 ms
(Link to these results)