| 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 | 56.6 | Low | 69.4 | Low | 243 Ų | 243 | 125 Ų | 125 | 100% | 1.197 | 65% | 0.647 | S | S | * | * | 0 | 116.1 | 0 | -69.1 | 167.7 | 173 | 0 | 0 | 107.7 | |||||
| 2 | I | 58.5 | Low | 69.7 | Low | 162 Ų | 162 | 129.2 Ų | 129.2 | 83% | 0.831 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 119.5 | 176 | -59.2 | 172.9 | 0 | 0 | 0 | 106.5 | S4 | I2-S4 PolarHBondContact O-N 2.96Š|
| 3 | P | 61.1 | Low | 70.2 | Confident | 80 Ų | 80 | 129.2 Ų | 129.2 | 52% | 0.519 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 125.1 | 172 | 25.6 | -32.5 | 0 | 0 | 0 | 108.6 | I5 I8 | P3-I5 PolarHBondContact O-N 3.32Å; P3-I8 HydrophobicContact CB-CD1 4.47Å; P3-I8 HydrophobicContact CG-CD1 4.05Å; P3-I8 HydrophobicContact CG-CG1 4.5Å |
| 4 | S | 73.4 | Confident | 70.4 | Confident | 78 Ų | 78 | 130.4 Ų | 130.4 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 134.4 | -179.4 | -172 | 0 | 0 | 0 | 0 | 109.7 | I2 L6 S7 | I2-S4 PolarHBondContact O-N 2.96Å; S4-L6 PolarHBondContact O-N 3.18Å; S4-S7 VanDerWaalsContact O-CB 3.27Å; S4-S7 WeakPolarHBondContact O-CB 3.37Å; S4-S7 PolarHBondContact O-N 3.34Å |
| 5 | I | 73.7 | Confident | 70.6 | Confident | 127 Ų | 127 | 129.3 Ų | 129.3 | 65% | 0.651 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -54 | -34.8 | -170.8 | -63.1 | 169.8 | 0 | 0 | 0 | 111.5 | P3 S7 I8 M9 | P3-I5 PolarHBondContact O-N 3.32Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 2.78Å; I5-I8 PolarHBondContact O-N 3.47Å; I5-M9 HydrophobicContact CG2-CG 4.43Å; I5-M9 HydrophobicContact CG2-SD 4.33Å; I5-M9 WeakPolarHBondContact O-CG 3.07Å; I5-M9 PolarHBondContact O-N 3.23Å |
| 6 | L | 72.7 | Confident | 70.8 | Confident | 135 Ų | 135 | 128.9 Ų | 128.9 | 71% | 0.707 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -55.5 | -38.4 | 174.1 | -66 | 169.8 | 0 | 0 | 0 | 113.3 | S4 M9 Y10 | S4-L6 PolarHBondContact O-N 3.18Å; L6-M9 PolarHBondContact O-N 3.06Å; L6-Y10 WeakPolarHBondContact O-CB 3.44Å; L6-Y10 PolarHBondContact O-N 3.4Å |
| 7 | S | 73.1 | Confident | 71.1 | Confident | 65 Ų | 65 | 126.8 Ų | 126.8 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.1 | -42.2 | 178.2 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | S4 I5 M9 Y10 E11 | S4-S7 VanDerWaalsContact O-CB 3.27Å; S4-S7 WeakPolarHBondContact O-CB 3.37Å; S4-S7 PolarHBondContact O-N 3.34Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 2.78Å; S7-M9 VanDerWaalsContact C-N 3.35Å; S7-M9 PolarHBondContact O-N 3.26Å; S7-Y10 PolarHBondContact O-N 2.82Å; S7-E11 PolarHBondContact O-N 3.24Å |
| 8 | I | 71.2 | Confident | 71.5 | Confident | 84 Ų | 84 | 125.6 Ų | 125.6 | 43% | 0.431 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.1 | -39.2 | 176.6 | -60.7 | 162.8 | 0 | 0 | 0 | 110.8 | P3 I5 R12 | P3-I8 HydrophobicContact CB-CD1 4.47Å; P3-I8 HydrophobicContact CG-CD1 4.05Å; P3-I8 HydrophobicContact CG-CG1 4.5Å; I5-I8 PolarHBondContact O-N 3.47Å; I8-R12 PolarHBondContact O-N 3.36Å; I8-R12 VanDerWaalsContact O-N 3.07Å |
| 9 | M | 73.9 | Confident | 71.9 | Confident | 125 Ų | 125 | 123.9 Ų | 123.9 | 62% | 0.616 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.8 | -38.5 | 175.1 | -69.9 | -173.9 | 71.1 | 0 | 0 | 112.4 | I5 L6 S7 R12 K13 | I5-M9 HydrophobicContact CG2-CG 4.43Å; I5-M9 HydrophobicContact CG2-SD 4.33Å; I5-M9 WeakPolarHBondContact O-CG 3.07Å; I5-M9 PolarHBondContact O-N 3.23Å; L6-M9 PolarHBondContact O-N 3.06Å; S7-M9 VanDerWaalsContact C-N 3.35Å; S7-M9 PolarHBondContact O-N 3.26Å; M9-R12 PolarHBondContact O-N 3Å; M9-K13 WeakPolarHBondContact O-CB 3.39Å; M9-K13 PolarHBondContact O-N 2.83Å |
| 10 | Y | 75.4 | Confident | 72.4 | Confident | 166 Ų | 166 | 124.7 Ų | 124.7 | 65% | 0.651 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -45 | 178.6 | -161.9 | -91.4 | 0 | 0 | 0 | 111.7 | L6 S7 R12 K13 R14 | L6-Y10 WeakPolarHBondContact O-CB 3.44Å; L6-Y10 PolarHBondContact O-N 3.4Å; S7-Y10 PolarHBondContact O-N 2.82Å; Y10-R12 PolarHBondContact O-N 3.39Å; Y10-K13 PolarHBondContact O-N 3.33Å; Y10-R14 WeakPolarHBondContact O-CB 3.46Å; Y10-R14 PolarHBondContact O-N 3.36Å |
| 11 | E | 73.7 | Confident | 72.8 | Confident | 110 Ų | 110 | 121 Ų | 121 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.4 | -46.7 | 172.5 | -78.6 | -65.4 | 147.5 | 0 | 0 | 111.8 | S7 K13 R14 L15 | S7-E11 PolarHBondContact O-N 3.24Å; E11-K13 PolarHBondContact O-N 3.25Å; E11-R14 PolarHBondContact O-N 2.94Å; E11-L15 WeakPolarHBondContact O-CB 3.36Å; E11-L15 PolarHBondContact O-N 2.67Å |
| 12 | R | 73.1 | Confident | 74.2 | Confident | 175 Ų | 175 | 111.2 Ų | 111.2 | 66% | 0.66 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.6 | -46.6 | 176.1 | -80.3 | -167.5 | 176 | -154.5 | 0.2 | 112.8 | I8 M9 Y10 R14 L15 E16 | I8-R12 PolarHBondContact O-N 3.36Å; I8-R12 VanDerWaalsContact O-N 3.07Å; M9-R12 PolarHBondContact O-N 3Å; Y10-R12 PolarHBondContact O-N 3.39Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 3.45Å; R12-L15 PolarHBondContact O-N 3.38Å; R12-E16 WeakPolarHBondContact O-CG 3.35Å; R12-E16 PolarHBondContact O-N 2.83Å |
| 13 | K | 76.2 | Confident | 75.5 | Confident | 129 Ų | 129 | 108.4 Ų | 108.4 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.9 | -40.9 | 179.1 | -174 | 172.2 | -178.8 | 178.4 | 0 | 111.5 | M9 Y10 E11 L15 E16 D17 | M9-K13 WeakPolarHBondContact O-CB 3.39Å; M9-K13 PolarHBondContact O-N 2.83Å; Y10-K13 PolarHBondContact O-N 3.33Å; E11-K13 PolarHBondContact O-N 3.25Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-L15 PolarHBondContact O-N 3.32Å; K13-E16 PolarHBondContact O-N 2.68Å; K13-D17 PolarHBondContact O-N 3.17Å |
| 14 | R | 73.1 | Confident | 76.9 | Confident | 146 Ų | 146 | 107.9 Ų | 107.9 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 176.5 | -157.8 | 177.7 | -168.7 | -150.8 | 0.2 | 112.1 | Y10 E11 R12 D17 D18 | Y10-R14 WeakPolarHBondContact O-CB 3.46Å; Y10-R14 PolarHBondContact O-N 3.36Å; E11-R14 PolarHBondContact O-N 2.94Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 3.45Å; R14-D17 PolarHBondContact O-N 2.81Å; R14-D18 WeakPolarHBondContact O-CB 3.49Å; R14-D18 PolarHBondContact O-N 3.05Å |
| 15 | L | 73.4 | Confident | 77.7 | Confident | 115 Ų | 115 | 109.3 Ų | 109.3 | 60% | 0.602 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.8 | -35.8 | 175 | -147.1 | 76.9 | 0 | 0 | 0 | 112.5 | E11 R12 K13 T19 | E11-L15 WeakPolarHBondContact O-CB 3.36Å; E11-L15 PolarHBondContact O-N 2.67Å; R12-L15 PolarHBondContact O-N 3.38Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-L15 PolarHBondContact O-N 3.32Å; L15-T19 WeakPolarHBondContact O-CB 3.16Å; L15-T19 VanDerWaalsContact O-CG2 3.29Å; L15-T19 WeakPolarHBondContact O-CG2 3.35Å; L15-T19 PolarHBondContact O-N 3.32Å; L15-T19 PolarHBondContact O-OG1 3.49Å |
| 16 | E | 74.6 | Confident | 78.5 | Confident | 123 Ų | 123 | 108.4 Ų | 108.4 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67 | -44.3 | 172.1 | -74.5 | 172.7 | -176.5 | 0 | 0 | 111.6 | R12 K13 T19 F20 | R12-E16 WeakPolarHBondContact O-CG 3.35Å; R12-E16 PolarHBondContact O-N 2.83Å; K13-E16 PolarHBondContact O-N 2.68Å; E16-T19 WeakPolarHBondContact CA-OG1 3.43Å; E16-T19 PolarHBondContact O-N 3.11Å; E16-T19 PolarHBondContact O-OG1 3.1Å; E16-T19 VanDerWaalsContact O-OG1 3.07Å; E16-F20 VanDerWaalsContact O-CB 3.29Å; E16-F20 WeakPolarHBondContact O-CB 3.35Å; E16-F20 PolarHBondContact O-N 2.78Å |
| 17 | D | 75.7 | Confident | 79.3 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175.7 | -72.8 | -33.6 | 0 | 0 | 0 | 111.7 | K13 R14 F20 A21 | K13-D17 PolarHBondContact O-N 3.17Å; R14-D17 PolarHBondContact O-N 2.81Å; D17-F20 PolarHBondContact O-N 3.05Å; D17-A21 VanDerWaalsContact O-CB 3.3Å; D17-A21 WeakPolarHBondContact O-CB 3.33Å; D17-A21 PolarHBondContact O-N 2.71Å |
| 18 | D | 78.2 | Confident | 80.2 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 177.4 | -80.2 | -21.3 | 0 | 0 | 0 | 112.2 | R14 G22 | R14-D18 WeakPolarHBondContact O-CB 3.49Å; R14-D18 PolarHBondContact O-N 3.05Å; D18-G22 PolarHBondContact O-N 3.25Å |
| 19 | T | 78.9 | Confident | 81.2 | Confident | 93 Ų | 93 | 106.8 Ų | 106.8 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.5 | -36 | 176 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | L15 E16 G22 L23 | L15-T19 WeakPolarHBondContact O-CB 3.16Å; L15-T19 VanDerWaalsContact O-CG2 3.29Å; L15-T19 WeakPolarHBondContact O-CG2 3.35Å; L15-T19 PolarHBondContact O-N 3.32Å; L15-T19 PolarHBondContact O-OG1 3.49Å; E16-T19 WeakPolarHBondContact CA-OG1 3.43Å; E16-T19 PolarHBondContact O-N 3.11Å; E16-T19 PolarHBondContact O-OG1 3.1Å; E16-T19 VanDerWaalsContact O-OG1 3.07Å; T19-G22 PolarHBondContact O-N 3.06Å; T19-L23 WeakPolarHBondContact O-CB 3.45Å; T19-L23 PolarHBondContact O-N 3.17Å |
| 20 | F | 81.3 | Confident | 82.1 | Confident | 140 Ų | 140 | 104.4 Ų | 104.4 | 61% | 0.614 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 172.1 | -175.4 | -99.7 | 0 | 0 | 0 | 111.6 | E16 D17 G22 L23 V24 | E16-F20 VanDerWaalsContact O-CB 3.29Å; E16-F20 WeakPolarHBondContact O-CB 3.35Å; E16-F20 PolarHBondContact O-N 2.78Å; D17-F20 PolarHBondContact O-N 3.05Å; F20-G22 PolarHBondContact O-N 3.09Å; F20-L23 PolarHBondContact O-N 2.67Å; F20-V24 HydrophobicContact CD1-CG2 4.18Å; F20-V24 HydrophobicContact CE1-CG2 3.83Å; F20-V24 HydrophobicContact CZ-CG2 4.01Å; F20-V24 WeakPolarHBondContact O-CG2 3.44Å; F20-V24 PolarHBondContact O-N 2.7Å |
| 21 | A | 82.3 | Confident | 83 | Confident | 47 Ų | 47 | 100.3 Ų | 100.3 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D17 L23 V24 L25 | D17-A21 VanDerWaalsContact O-CB 3.3Å; D17-A21 WeakPolarHBondContact O-CB 3.33Å; D17-A21 PolarHBondContact O-N 2.71Å; A21-L23 PolarHBondContact O-N 3.47Å; A21-V24 PolarHBondContact O-N 3.31Å; A21-L25 WeakPolarHBondContact O-CB 3.21Å; A21-L25 WeakPolarHBondContact O-CG 3.18Å; A21-L25 PolarHBondContact O-N 2.82Å |
| 22 | G | 85.1 | Confident | 83.9 | Confident | 37 Ų | 37 | 101 Ų | 101 | 38% | 0.381 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D18 T19 F20 L25 L26 | D18-G22 PolarHBondContact O-N 3.25Å; T19-G22 PolarHBondContact O-N 3.06Å; F20-G22 PolarHBondContact O-N 3.09Å; G22-L25 PolarHBondContact O-N 2.82Å; G22-L26 WeakPolarHBondContact O-CB 3.5Å; G22-L26 PolarHBondContact O-N 3.22Å |
| 23 | L | 86.4 | Confident | 84.9 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 176 | -174.4 | 67.9 | 0 | 0 | 0 | 111.8 | T19 F20 A21 L26 C27 | T19-L23 WeakPolarHBondContact O-CB 3.45Å; T19-L23 PolarHBondContact O-N 3.17Å; F20-L23 PolarHBondContact O-N 2.67Å; A21-L23 PolarHBondContact O-N 3.47Å; L23-L26 PolarHBondContact O-N 2.78Å; L23-C27 WeakPolarHBondContact O-CB 3.39Å; L23-C27 PolarHBondContact O-N 3.08Å; L23-C27 PolarHBondContact O-SG 3.3Å; L23-C27 VanDerWaalsContact O-SG 3.36Å |
| 24 | V | 89.3 | Confident | 85.7 | Confident | 68 Ų | 68 | 95.8 Ų | 95.8 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | F20 A21 C27 T28 | F20-V24 HydrophobicContact CD1-CG2 4.18Å; F20-V24 HydrophobicContact CE1-CG2 3.83Å; F20-V24 HydrophobicContact CZ-CG2 4.01Å; F20-V24 WeakPolarHBondContact O-CG2 3.44Å; F20-V24 PolarHBondContact O-N 2.7Å; A21-V24 PolarHBondContact O-N 3.31Å; V24-C27 PolarHBondContact O-N 3.16Å; V24-T28 WeakPolarHBondContact O-CG2 3.43Å; V24-T28 PolarHBondContact O-N 3.47Å; V24-T28 PolarHBondContact O-OG1 3.18Å |
| 25 | L | 90.1 | Very high | 86.6 | Confident | 108 Ų | 108 | 97 Ų | 97 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 174.6 | -75 | 169.4 | 0 | 0 | 0 | 111.7 | A21 G22 C27 T28 M29 | A21-L25 WeakPolarHBondContact O-CB 3.21Å; A21-L25 WeakPolarHBondContact O-CG 3.18Å; A21-L25 PolarHBondContact O-N 2.82Å; G22-L25 PolarHBondContact O-N 2.82Å; L25-C27 PolarHBondContact O-N 2.88Å; L25-T28 WeakPolarHBondContact CA-OG1 3.34Å; L25-T28 PolarHBondContact O-N 3.34Å; L25-T28 PolarHBondContact O-OG1 2.75Å; L25-M29 WeakPolarHBondContact O-CG 3.3Å; L25-M29 PolarHBondContact O-N 3.5Å |
| 26 | L | 90.3 | Very high | 87.4 | Confident | 109 Ų | 109 | 93 Ų | 93 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 177.4 | -171.3 | 143.9 | 0 | 0 | 0 | 111.8 | G22 L23 M29 V30 | G22-L26 WeakPolarHBondContact O-CB 3.5Å; G22-L26 PolarHBondContact O-N 3.22Å; L23-L26 PolarHBondContact O-N 2.78Å; L26-M29 PolarHBondContact O-N 2.81Å; L26-V30 HydrophobicContact CD2-CG2 4.29Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.36Å |
| 27 | C | 90.9 | Very high | 88.1 | Confident | 69 Ų | 69 | 90.9 Ų | 90.9 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 174.6 | -75.7 | 0 | 0 | 0 | 0 | 112.6 | L23 V24 L25 V30 V31 | L23-C27 WeakPolarHBondContact O-CB 3.39Å; L23-C27 PolarHBondContact O-N 3.08Å; L23-C27 PolarHBondContact O-SG 3.3Å; L23-C27 VanDerWaalsContact O-SG 3.36Å; V24-C27 PolarHBondContact O-N 3.16Å; L25-C27 PolarHBondContact O-N 2.88Å; C27-V30 PolarHBondContact O-N 3Å; C27-V31 WeakPolarHBondContact O-CG2 3.21Å; C27-V31 PolarHBondContact O-N 2.79Å |
| 28 | T | 91.2 | Very high | 88.6 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | V24 L25 V31 F32 | V24-T28 WeakPolarHBondContact O-CG2 3.43Å; V24-T28 PolarHBondContact O-N 3.47Å; V24-T28 PolarHBondContact O-OG1 3.18Å; L25-T28 WeakPolarHBondContact CA-OG1 3.34Å; L25-T28 PolarHBondContact O-N 3.34Å; L25-T28 PolarHBondContact O-OG1 2.75Å; T28-V31 PolarHBondContact O-N 3.2Å; T28-F32 WeakPolarHBondContact O-CB 3.31Å; T28-F32 PolarHBondContact O-N 3.4Å |
| 29 | M | 91.8 | Very high | 88.8 | Confident | 111 Ų | 111 | 89.7 Ų | 89.7 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 173.2 | -71.4 | -61.6 | 114.4 | 0 | 0 | 112.5 | L25 L26 F32 V33 | L25-M29 WeakPolarHBondContact O-CG 3.3Å; L25-M29 PolarHBondContact O-N 3.5Å; L26-M29 PolarHBondContact O-N 2.81Å; M29-F32 PolarHBondContact O-N 2.82Å; M29-V33 WeakPolarHBondContact O-CG2 3.35Å; M29-V33 PolarHBondContact O-N 3.49Å |
| 30 | V | 93.3 | Very high | 88.9 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L26 C27 F32 V33 I34 | L26-V30 HydrophobicContact CD2-CG2 4.29Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.36Å; C27-V30 PolarHBondContact O-N 3Å; V30-F32 VanDerWaalsContact C-N 3.34Å; V30-F32 PolarHBondContact O-N 3.42Å; V30-V33 PolarHBondContact O-N 2.81Å; V30-I34 HydrophobicContact CG1-CD1 3.8Å; V30-I34 VanDerWaalsContact O-CG1 3.27Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 2.82Å |
| 31 | V | 93.4 | Very high | 88.7 | Confident | 80 Ų | 80 | 89.5 Ų | 89.5 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | C27 T28 I34 R35 | C27-V31 WeakPolarHBondContact O-CG2 3.21Å; C27-V31 PolarHBondContact O-N 2.79Å; T28-V31 PolarHBondContact O-N 3.2Å; V31-I34 PolarHBondContact O-N 2.96Å; V31-R35 PolarHBondContact O-N 3.23Å |
| 32 | F | 94.1 | Very high | 88.2 | Confident | 126 Ų | 126 | 92.9 Ų | 92.9 | 55% | 0.553 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -47.9 | 176 | -177.2 | -101.8 | 0 | 0 | 0 | 111.7 | T28 M29 V30 I34 R35 C36 | T28-F32 WeakPolarHBondContact O-CB 3.31Å; T28-F32 PolarHBondContact O-N 3.4Å; M29-F32 PolarHBondContact O-N 2.82Å; V30-F32 VanDerWaalsContact C-N 3.34Å; V30-F32 PolarHBondContact O-N 3.42Å; F32-I34 VanDerWaalsContact C-N 3.33Å; F32-I34 PolarHBondContact O-N 2.92Å; F32-R35 PolarHBondContact O-N 3.42Å; F32-R35 VanDerWaalsContact O-N 3.17Å; F32-C36 PolarHBondContact O-N 2.86Å; F32-C36 PolarHBondContact O-SG 3.17Å; F32-C36 VanDerWaalsContact O-SG 3.42Å |
| 33 | V | 93.6 | Very high | 87.5 | Confident | 87 Ų | 87 | 97 Ų | 97 | 53% | 0.527 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | M29 V30 C36 C37 | M29-V33 WeakPolarHBondContact O-CG2 3.35Å; M29-V33 PolarHBondContact O-N 3.49Å; V30-V33 PolarHBondContact O-N 2.81Å; V33-C36 PolarHBondContact O-N 3.47Å; V33-C37 WeakPolarHBondContact O-CB 3.32Å; V33-C37 PolarHBondContact O-N 2.94Å; V33-C37 PolarHBondContact O-SG 2.91Å |
| 34 | I | 93.7 | Very high | 86.4 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.3 | -69.1 | 165.5 | 0 | 0 | 0 | 110.8 | V30 V31 F32 C37 A38 | V30-I34 HydrophobicContact CG1-CD1 3.8Å; V30-I34 VanDerWaalsContact O-CG1 3.27Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 2.82Å; V31-I34 PolarHBondContact O-N 2.96Å; F32-I34 VanDerWaalsContact C-N 3.33Å; F32-I34 PolarHBondContact O-N 2.92Å; I34-C37 PolarHBondContact O-N 3.41Å; I34-A38 WeakPolarHBondContact O-CB 3.4Å; I34-A38 PolarHBondContact O-N 3.29Å |
| 35 | R | 91.3 | Very high | 85.1 | Confident | 171 Ų | 171 | 100.5 Ų | 100.5 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -48.8 | 176.1 | -80.8 | -173.4 | 164.7 | 170.2 | -3.5 | 112.4 | V31 F32 C37 A38 E39 | V31-R35 PolarHBondContact O-N 3.23Å; F32-R35 PolarHBondContact O-N 3.42Å; F32-R35 VanDerWaalsContact O-N 3.17Å; R35-C37 VanDerWaalsContact C-N 3.27Å; R35-C37 PolarHBondContact O-N 3.06Å; R35-A38 CarbonylContact O-C 3.57Å; R35-A38 WeakPolarHBondContact O-CB 3.43Å; R35-A38 PolarHBondContact O-N 2.93Å; R35-E39 WeakPolarHBondContact O-CG 3.33Å; R35-E39 PolarHBondContact O-N 3.36Å |
| 36 | C | 90.2 | Very high | 83.7 | Confident | 32 Ų | 32 | 99.4 Ų | 99.4 | 22% | 0.216 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -61.6 | -33.7 | 176.7 | -67 | 0 | 0 | 0 | 0 | 112.9 | F32 V33 K40 | F32-C36 PolarHBondContact O-N 2.86Å; F32-C36 PolarHBondContact O-SG 3.17Å; F32-C36 VanDerWaalsContact O-SG 3.42Å; V33-C36 PolarHBondContact O-N 3.47Å; C36-K40 WeakPolarHBondContact O-CB 3.45Å; C36-K40 VanDerWaalsContact O-CG 3.31Å; C36-K40 WeakPolarHBondContact O-CG 3.45Å; C36-K40 PolarHBondContact O-N 2.88Å |
| 37 | C | 89.3 | Confident | 82.2 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 172.4 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | V33 I34 R35 S41 | V33-C37 WeakPolarHBondContact O-CB 3.32Å; V33-C37 PolarHBondContact O-N 2.94Å; V33-C37 PolarHBondContact O-SG 2.91Å; I34-C37 PolarHBondContact O-N 3.41Å; R35-C37 VanDerWaalsContact C-N 3.27Å; R35-C37 PolarHBondContact O-N 3.06Å; C37-S41 VanDerWaalsContact O-CB 3.28Å; C37-S41 WeakPolarHBondContact O-CB 3.32Å; C37-S41 PolarHBondContact O-N 3.25Å |
| 38 | A | 86.3 | Confident | 80.5 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I34 R35 S41 Q42 | I34-A38 WeakPolarHBondContact O-CB 3.4Å; I34-A38 PolarHBondContact O-N 3.29Å; R35-A38 CarbonylContact O-C 3.57Å; R35-A38 WeakPolarHBondContact O-CB 3.43Å; R35-A38 PolarHBondContact O-N 2.93Å; A38-S41 WeakPolarHBondContact O-CB 3.35Å; A38-S41 PolarHBondContact O-N 3.33Å; A38-Q42 WeakPolarHBondContact O-CB 3.28Å; A38-Q42 PolarHBondContact O-N 3.45Å |
| 39 | E | 82.8 | Confident | 78.7 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.6 | -73.6 | 171.1 | 179.8 | 0 | 0 | 111.9 | R35 S41 Q42 Q43 | R35-E39 WeakPolarHBondContact O-CG 3.33Å; R35-E39 PolarHBondContact O-N 3.36Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.18Å; E39-Q42 PolarHBondContact O-N 3.4Å; E39-Q43 WeakPolarHBondContact O-CB 3.49Å; E39-Q43 PolarHBondContact O-N 3.39Å |
| 40 | K | 80.5 | Confident | 76.9 | Confident | 148 Ų | 148 | 97.6 Ų | 97.6 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 174.3 | -77.3 | 176 | 178.8 | 174.9 | 0 | 112.2 | C36 H44 | C36-K40 WeakPolarHBondContact O-CB 3.45Å; C36-K40 VanDerWaalsContact O-CG 3.31Å; C36-K40 WeakPolarHBondContact O-CG 3.45Å; C36-K40 PolarHBondContact O-N 2.88Å; K40-H44 WeakPolarHBondContact O-CB 3.41Å; K40-H44 PolarHBondContact O-N 2.95Å |
| 41 | S | 75.9 | Confident | 75 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 174.6 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | C37 A38 E39 H44 N45 | C37-S41 VanDerWaalsContact O-CB 3.28Å; C37-S41 WeakPolarHBondContact O-CB 3.32Å; C37-S41 PolarHBondContact O-N 3.25Å; A38-S41 WeakPolarHBondContact O-CB 3.35Å; A38-S41 PolarHBondContact O-N 3.33Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.18Å; S41-H44 PolarHBondContact O-N 2.95Å; S41-N45 WeakPolarHBondContact O-CB 3.35Å; S41-N45 PolarHBondContact O-N 2.87Å |
| 42 | Q | 73.5 | Confident | 73.1 | Confident | 119 Ų | 119 | 108 Ų | 108 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 176.7 | -172.6 | 177.3 | 2.2 | 0 | 0 | 111.8 | A38 E39 N45 N46 | A38-Q42 WeakPolarHBondContact O-CB 3.28Å; A38-Q42 PolarHBondContact O-N 3.45Å; E39-Q42 PolarHBondContact O-N 3.4Å; Q42-N45 CarbonylContact O-C 3.58Å; Q42-N45 PolarHBondContact O-N 3.39Å; Q42-N46 WeakPolarHBondContact O-CB 3.27Å; Q42-N46 VanDerWaalsContact O-CG 3.32Å; Q42-N46 PolarHBondContact O-N 3Å |
| 43 | Q | 69.4 | Low | 71.2 | Confident | 123 Ų | 123 | 109.5 Ų | 109.5 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.6 | -41.4 | 175.6 | -164.1 | -177.3 | 26.5 | 0 | 0 | 111.3 | E39 N45 N46 N47 | E39-Q43 WeakPolarHBondContact O-CB 3.49Å; E39-Q43 PolarHBondContact O-N 3.39Å; Q43-N45 VanDerWaalsContact C-N 3.33Å; Q43-N46 PolarHBondContact O-N 2.91Å; Q43-N47 WeakPolarHBondContact O-CB 3.32Å; Q43-N47 PolarHBondContact O-N 3.37Å |
| 44 | H | 64.2 | Low | 69.1 | Low | 150 Ų | 150 | 114.2 Ų | 114.2 | 69% | 0.694 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.7 | -33.9 | 172.6 | -173.9 | -86.7 | 0 | 0 | 0 | 112.2 | K40 S41 G48 | K40-H44 WeakPolarHBondContact O-CB 3.41Å; K40-H44 PolarHBondContact O-N 2.95Å; S41-H44 PolarHBondContact O-N 2.95Å; H44-G48 WeakPolarHBondContact O-CA 3.38Å; H44-G48 PolarHBondContact O-N 3.4Å |
| 45 | N | 61.8 | Low | 66.8 | Low | 96 Ų | 96 | 112.3 Ų | 112.3 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.8 | -36.2 | 174.2 | -161.4 | 19.4 | 0 | 0 | 0 | 111.7 | S41 Q42 Q43 N49 | S41-N45 WeakPolarHBondContact O-CB 3.35Å; S41-N45 PolarHBondContact O-N 2.87Å; Q42-N45 CarbonylContact O-C 3.58Å; Q42-N45 PolarHBondContact O-N 3.39Å; Q43-N45 VanDerWaalsContact C-N 3.33Å; N45-N49 WeakPolarHBondContact O-CB 3.3Å; N45-N49 PolarHBondContact O-N 3.26Å |
| 46 | N | 60.2 | Low | 65 | Low | 85 Ų | 85 | 106.2 Ų | 106.2 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.5 | -48 | 175.4 | -75.9 | -10.4 | 0 | 0 | 0 | 111.8 | Q42 Q43 G48 N49 Q50 | Q42-N46 WeakPolarHBondContact O-CB 3.27Å; Q42-N46 VanDerWaalsContact O-CG 3.32Å; Q42-N46 PolarHBondContact O-N 3Å; Q43-N46 PolarHBondContact O-N 2.91Å; N46-G48 VanDerWaalsContact C-N 3.34Å; N46-G48 PolarHBondContact O-N 3.36Å; N46-N49 CarbonylContact O-C 3.36Å; N46-N49 PolarHBondContact O-N 3.44Å; N46-Q50 PolarHBondContact O-N 3.45Å |
| 47 | N | 58.1 | Low | 62.9 | Low | 96 Ų | 96 | 110.5 Ų | 110.5 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.4 | -36.2 | 175.2 | -70.3 | 1.4 | 0 | 0 | 0 | 111.5 | Q43 N49 Q50 R51 | Q43-N47 WeakPolarHBondContact O-CB 3.32Å; Q43-N47 PolarHBondContact O-N 3.37Å; N47-N49 VanDerWaalsContact C-N 3.34Å; N47-Q50 PolarHBondContact O-N 3.44Å; N47-R51 PolarHBondContact O-N 2.89Å; N47-R51 VanDerWaalsContact O-N 3.08Å |
| 48 | G | 56.7 | Low | 61.1 | Low | 25 Ų | 25 | 115.2 Ų | 115.2 | 26% | 0.258 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.5 | -35.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H44 N46 K52 | H44-G48 WeakPolarHBondContact O-CA 3.38Å; H44-G48 PolarHBondContact O-N 3.4Å; N46-G48 VanDerWaalsContact C-N 3.34Å; N46-G48 PolarHBondContact O-N 3.36Å; G48-K52 WeakPolarHBondContact O-CB 3.33Å; G48-K52 VanDerWaalsContact O-CG 3.3Å; G48-K52 WeakPolarHBondContact O-CG 3.45Å; G48-K52 PolarHBondContact O-N 3.34Å |
| 49 | N | 53.2 | Low | 59.3 | Low | 59 Ų | 59 | 120.1 Ų | 120.1 | 32% | 0.316 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74 | -33.2 | 171.8 | -101.7 | -16.9 | 0 | 0 | 0 | 112.3 | N45 N46 N47 R51 K52 K53 | N45-N49 WeakPolarHBondContact O-CB 3.3Å; N45-N49 PolarHBondContact O-N 3.26Å; N46-N49 CarbonylContact O-C 3.36Å; N46-N49 PolarHBondContact O-N 3.44Å; N47-N49 VanDerWaalsContact C-N 3.34Å; N49-R51 VanDerWaalsContact C-N 3.34Å; N49-K52 CarbonylContact O-C 3.6Å; N49-K52 PolarHBondContact O-N 3.32Å; N49-K52 VanDerWaalsContact O-N 3.09Å; N49-K53 WeakPolarHBondContact O-CA 3.42Å; N49-K53 WeakPolarHBondContact O-CB 3.43Å; N49-K53 WeakPolarHBondContact O-CG 3.38Å; N49-K53 PolarHBondContact O-N 3.29Å |
| 50 | Q | 54.6 | Low | 57.8 | Low | 139 Ų | 139 | 123.7 Ų | 123.7 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -44 | 171.9 | -72.8 | -170.6 | 3.3 | 0 | 0 | 110.6 | N46 N47 K52 K53 Q54 | N46-Q50 PolarHBondContact O-N 3.45Å; N47-Q50 PolarHBondContact O-N 3.44Å; Q50-K52 PolarHBondContact O-N 2.93Å; Q50-K53 PolarHBondContact O-N 3.48Å; Q50-Q54 PolarHBondContact O-N 3.46Å; Q50-Q54 VanDerWaalsContact O-N 3.11Å |
| 51 | R | 52.6 | Low | 55.9 | Low | 221 Ų | 221 | 127.8 Ų | 127.8 | 83% | 0.834 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.5 | -21.8 | 171.1 | -104.8 | -176.6 | 169.9 | -177.8 | -2.8 | 114.8 | N47 N49 | N47-R51 PolarHBondContact O-N 2.89Å; N47-R51 VanDerWaalsContact O-N 3.08Å; N49-R51 VanDerWaalsContact C-N 3.34Å |
| 52 | K | 54 | Low | 54.6 | Low | 153 Ų | 153 | 128.7 Ų | 128.7 | 67% | 0.665 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -104 | -3.8 | 177.2 | -72.3 | 178.5 | 179.5 | 179.1 | 0 | 115 | G48 N49 Q50 | G48-K52 WeakPolarHBondContact O-CB 3.33Å; G48-K52 VanDerWaalsContact O-CG 3.3Å; G48-K52 WeakPolarHBondContact O-CG 3.45Å; G48-K52 PolarHBondContact O-N 3.34Å; N49-K52 CarbonylContact O-C 3.6Å; N49-K52 PolarHBondContact O-N 3.32Å; N49-K52 VanDerWaalsContact O-N 3.09Å; Q50-K52 PolarHBondContact O-N 2.93Å |
| 53 | K | 53.6 | Low | 53.9 | Low | 157 Ų | 157 | 132 Ų | 132 | 68% | 0.683 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -106.7 | -20.6 | 176 | -72.6 | -175.9 | 179.1 | -167.2 | 0 | 112 | N49 Q50 A55 | N49-K53 WeakPolarHBondContact O-CA 3.42Å; N49-K53 WeakPolarHBondContact O-CB 3.43Å; N49-K53 WeakPolarHBondContact O-CG 3.38Å; N49-K53 PolarHBondContact O-N 3.29Å; Q50-K53 PolarHBondContact O-N 3.48Å; K53-A55 VanDerWaalsContact C-N 3.29Å |
| 54 | Q | 50.1 | Low | 53.1 | Low | 186 Ų | 186 | 131.7 Ų | 131.7 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -70.3 | -29.2 | 158.9 | -75.4 | -170.9 | -12.1 | 0 | 0 | 112 | Q50 G56 | Q50-Q54 PolarHBondContact O-N 3.46Å; Q50-Q54 VanDerWaalsContact O-N 3.11Å; Q54-G56 VanDerWaalsContact C-N 3.26Å; Q54-G56 PolarHBondContact O-N 3.45Å; Q54-G56 VanDerWaalsContact O-N 3.17Å |
| 55 | A | 45.6 | Very low | 52.5 | Low | 66 Ų | 66 | 128.6 Ų | 128.6 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -81.2 | 77.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | K53 | K53-A55 VanDerWaalsContact C-N 3.29Š|
| 56 | G | 52.5 | Low | 52.1 | Low | 43 Ų | 43 | 131.7 Ų | 131.7 | 44% | 0.443 | 67% | 0.666 | S | S | . | * | trans | -56.3 | -177.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q54 L58 | Q54-G56 VanDerWaalsContact C-N 3.26Å; Q54-G56 PolarHBondContact O-N 3.45Å; Q54-G56 VanDerWaalsContact O-N 3.17Å; G56-L58 PolarHBondContact O-N 2.92Å; G56-L58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | P | 47 | Very low | 51.7 | Low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 68% | 0.675 | S | S | * | * | trans | -47.8 | 132.6 | 166.7 | -21.3 | 32.3 | 0 | 0 | 0 | 108.5 | E59 | P57-E59 PolarHBondContact O-N 3.36Š| ||
| 58 | L | 51.1 | Low | 51.4 | Low | 178 Ų | 178 | 131.1 Ų | 131.1 | 93% | 0.932 | 67% | 0.67 | S | S | * | * | trans | -66.8 | 72.7 | 152.4 | -88 | 149.2 | 0 | 0 | 0 | 106 | G56 E60 | G56-L58 PolarHBondContact O-N 2.92Å; G56-L58 VanDerWaalsContact O-N 3.16Å; L58-E60 PolarHBondContact O-N 2.9Å | ||
| 59 | E | 48 | Very low | 51 | Low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -46.7 | 135 | 135.6 | -76.1 | -168.4 | 135.9 | 0 | 0 | 105.6 | P57 R61 | P57-E59 PolarHBondContact O-N 3.36Å; E59-R61 PolarHBondContact O-N 3.36Å | ||
| 60 | E | 50.6 | Low | 50.9 | Low | 191 Ų | 191 | 139.5 Ų | 139.5 | 89% | 0.893 | 70% | 0.695 | S | S | * | * | trans | -63.1 | 83.1 | 167.3 | -66.2 | 179 | 119.4 | 0 | 0 | 106.9 | L58 S62 | L58-E60 PolarHBondContact O-N 2.9Å; E60-S62 PolarHBondContact O-N 2.98Å | ||
| 61 | R | 42.2 | Very low | 50.8 | Low | 235 Ų | 235 | 138.7 Ų | 138.7 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | trans | -65.1 | 89.5 | 165.7 | -160.6 | 176.9 | -164.9 | -179.2 | 4.9 | 103.7 | E59 K63 | E59-R61 PolarHBondContact O-N 3.36Å; R61-K63 PolarHBondContact O-N 2.91Å | ||
| 62 | S | 48.8 | Very low | 50.9 | Low | 99 Ų | 99 | 132.9 Ų | 132.9 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | -39.9 | 119.7 | 179.3 | 44.1 | 0 | 0 | 0 | 0 | 106.1 | E60 | E60-S62 PolarHBondContact O-N 2.98Š| ||
| 63 | K | 56.9 | Low | 50.9 | Low | 188 Ų | 188 | 129.7 Ų | 129.7 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -46.4 | 123.9 | 176.3 | -63.2 | 174.5 | -176.1 | 173.7 | 0 | 104.7 | R61 S65 | R61-K63 PolarHBondContact O-N 2.91Å; K63-S65 PolarHBondContact O-N 3.06Å | ||
| 64 | P | 52.9 | Low | 51 | Low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | trans | -54.4 | 115.3 | 176.3 | 22.5 | -31.7 | 0 | 0 | 0 | 104.8 | Y66 | P64-Y66 PolarHBondContact O-N 3.33Š| ||
| 65 | S | 51.5 | Low | 51.2 | Low | 85 Ų | 85 | 128.3 Ų | 128.3 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | trans | -74.8 | 77.2 | -170.2 | -170.6 | 0 | 0 | 0 | 0 | 107.8 | K63 I67 G68 | K63-S65 PolarHBondContact O-N 3.06Å; S65-I67 PolarHBondContact O-N 2.98Å; S65-I67 VanDerWaalsContact O-N 3.17Å; S65-G68 PolarHBondContact O-N 3.49Å; S65-G68 VanDerWaalsContact O-N 3.1Å | ||
| 66 | Y | 53.5 | Low | 51.7 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -15.5 | -179.5 | -160.7 | -102.7 | 0 | 0 | 0 | 110.8 | P64 R69 I70 | P64-Y66 PolarHBondContact O-N 3.33Å; Y66-R69 PolarHBondContact O-N 3.38Å; Y66-I70 HydrophobicContact CD1-CD1 3.7Å; Y66-I70 HydrophobicContact CD1-CG1 4.16Å; Y66-I70 HydrophobicContact CE1-CD1 3.85Å; Y66-I70 HydrophobicContact CE1-CG1 4.04Å; Y66-I70 WeakPolarHBondContact O-CD1 3.38Å; Y66-I70 WeakPolarHBondContact O-CG1 3.34Å; Y66-I70 PolarHBondContact O-N 3.12Å |
| 67 | I | 53 | Low | 51.8 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.8 | -40 | 172.9 | -60.2 | 170.4 | 0 | 0 | 0 | 110.6 | S65 R69 | S65-I67 PolarHBondContact O-N 2.98Å; S65-I67 VanDerWaalsContact O-N 3.17Å; I67-R69 VanDerWaalsContact C-N 3.34Å; I67-R69 PolarHBondContact O-N 2.97Å |
| 68 | G | 50.9 | Low | 52.2 | Low | 40 Ų | 40 | 132.9 Ų | 132.9 | 41% | 0.412 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -80.1 | -3.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | S65 | S65-G68 PolarHBondContact O-N 3.49Å; S65-G68 VanDerWaalsContact O-N 3.1Å |
| 69 | R | 49.3 | Very low | 52.3 | Low | 187 Ų | 187 | 129.3 Ų | 129.3 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -103.5 | -18.5 | 172.2 | -66.9 | -169 | -175.2 | -170.1 | 1 | 113.1 | Y66 I67 I73 | Y66-R69 PolarHBondContact O-N 3.38Å; I67-R69 VanDerWaalsContact C-N 3.34Å; I67-R69 PolarHBondContact O-N 2.97Å; R69-I73 WeakPolarHBondContact O-CD1 3.39Å; R69-I73 WeakPolarHBondContact O-CG1 3.37Å; R69-I73 PolarHBondContact O-N 2.86Å |
| 70 | I | 50.8 | Low | 52.6 | Low | 73 Ų | 73 | 124.9 Ų | 124.9 | 37% | 0.374 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.5 | -34.3 | 175.1 | -67.8 | 165.2 | 0 | 0 | 0 | 110.5 | Y66 I73 R74 | Y66-I70 HydrophobicContact CD1-CD1 3.7Å; Y66-I70 HydrophobicContact CD1-CG1 4.16Å; Y66-I70 HydrophobicContact CE1-CD1 3.85Å; Y66-I70 HydrophobicContact CE1-CG1 4.04Å; Y66-I70 WeakPolarHBondContact O-CD1 3.38Å; Y66-I70 WeakPolarHBondContact O-CG1 3.34Å; Y66-I70 PolarHBondContact O-N 3.12Å; I70-I73 CarbonylContact O-C 3.52Å; I70-I73 PolarHBondContact O-N 3.42Å; I70-R74 WeakPolarHBondContact O-CB 3.39Å; I70-R74 PolarHBondContact O-N 2.88Å |
| 71 | E | 52.6 | Low | 52.7 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.9 | -43.8 | 177.4 | -71.5 | 172.7 | 166.6 | 0 | 0 | 112 | I73 R74 E75 | E71-I73 VanDerWaalsContact C-N 3.28Å; E71-I73 PolarHBondContact O-N 3.46Å; E71-R74 WeakPolarHBondContact O-CA 3.46Å; E71-R74 WeakPolarHBondContact O-CB 3.42Å; E71-R74 PolarHBondContact O-N 3.23Å; E71-E75 PolarHBondContact O-N 2.88Å |
| 72 | V | 53.7 | Low | 53.1 | Low | 99 Ų | 99 | 117.5 Ų | 117.5 | 60% | 0.6 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.4 | -31.2 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | S76 | V72-S76 WeakPolarHBondContact O-CB 3.29Å; V72-S76 PolarHBondContact O-N 2.92Å; V72-S76 PolarHBondContact O-OG 3.46Å |
| 73 | I | 53.9 | Low | 53.1 | Low | 86 Ų | 86 | 121.4 Ų | 121.4 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -78.2 | -26.6 | 173.4 | -63.6 | 168.1 | 0 | 0 | 0 | 111.2 | R69 I70 E71 S76 Q77 | R69-I73 WeakPolarHBondContact O-CD1 3.39Å; R69-I73 WeakPolarHBondContact O-CG1 3.37Å; R69-I73 PolarHBondContact O-N 2.86Å; I70-I73 CarbonylContact O-C 3.52Å; I70-I73 PolarHBondContact O-N 3.42Å; E71-I73 VanDerWaalsContact C-N 3.28Å; E71-I73 PolarHBondContact O-N 3.46Å; I73-S76 WeakPolarHBondContact CA-OG 3.46Å; I73-S76 PolarHBondContact O-OG 3.47Å; I73-Q77 HydrophobicContact CG2-CG 4.48Å; I73-Q77 WeakPolarHBondContact O-CB 3.29Å; I73-Q77 WeakPolarHBondContact O-CG 3.39Å; I73-Q77 PolarHBondContact O-N 3Å |
| 74 | R | 55.4 | Low | 52.7 | Low | 169 Ų | 169 | 117.4 Ų | 117.4 | 64% | 0.638 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.4 | -50.4 | 175 | -125.5 | 176.1 | -167.6 | 158 | 3 | 111.3 | I70 E71 S76 Q77 Q78 | I70-R74 WeakPolarHBondContact O-CB 3.39Å; I70-R74 PolarHBondContact O-N 2.88Å; E71-R74 WeakPolarHBondContact O-CA 3.46Å; E71-R74 WeakPolarHBondContact O-CB 3.42Å; E71-R74 PolarHBondContact O-N 3.23Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 2.89Å; R74-Q77 PolarHBondContact O-N 3.4Å; R74-Q78 WeakPolarHBondContact O-CB 3.48Å; R74-Q78 PolarHBondContact O-N 3.31Å |
| 75 | E | 55 | Low | 52.6 | Low | 145 Ų | 145 | 118.7 Ų | 118.7 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.2 | -34.4 | -179.5 | -67.6 | -178.3 | 156.9 | 0 | 0 | 112.2 | E71 T79 | E71-E75 PolarHBondContact O-N 2.88Å; E75-T79 PolarHBondContact O-N 3.19Å; E75-T79 PolarHBondContact O-OG1 3.33Å |
| 76 | S | 57.3 | Low | 52.3 | Low | 68 Ų | 68 | 121.6 Ų | 121.6 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -78.6 | -23.6 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 114.8 | V72 I73 R74 A80 | V72-S76 WeakPolarHBondContact O-CB 3.29Å; V72-S76 PolarHBondContact O-N 2.92Å; V72-S76 PolarHBondContact O-OG 3.46Å; I73-S76 WeakPolarHBondContact CA-OG 3.46Å; I73-S76 PolarHBondContact O-OG 3.47Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 2.89Å; S76-A80 WeakPolarHBondContact O-CB 3.27Å |
| 77 | Q | 53.5 | Low | 52.1 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 62% | 0.621 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -84.8 | -30.4 | 168.7 | -75.8 | -173.2 | 3.2 | 0 | 0 | 112.9 | I73 R74 A80 N81 | I73-Q77 HydrophobicContact CG2-CG 4.48Å; I73-Q77 WeakPolarHBondContact O-CB 3.29Å; I73-Q77 WeakPolarHBondContact O-CG 3.39Å; I73-Q77 PolarHBondContact O-N 3Å; R74-Q77 PolarHBondContact O-N 3.4Å; Q77-A80 PolarHBondContact O-N 2.92Å; Q77-N81 WeakPolarHBondContact O-CB 3.45Å; Q77-N81 PolarHBondContact O-N 3.43Å |
| 78 | Q | 55 | Low | 51.7 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 59% | 0.593 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75 | -36 | -176.6 | -164.3 | 159.5 | -7.8 | 0 | 0 | 111.6 | R74 A80 | R74-Q78 WeakPolarHBondContact O-CB 3.48Å; R74-Q78 PolarHBondContact O-N 3.31Å; Q78-A80 VanDerWaalsContact C-N 3.34Å |
| 79 | T | 53.4 | Low | 51.3 | Low | 103 Ų | 103 | 129.9 Ų | 129.9 | 63% | 0.632 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.9 | -22.2 | 169.8 | 47.1 | 0 | 0 | 0 | 0 | 114 | E75 | E75-T79 PolarHBondContact O-N 3.19Å; E75-T79 PolarHBondContact O-OG1 3.33Å |
| 80 | A | 55 | Low | 51.1 | Low | 66 Ų | 66 | 127.7 Ų | 127.7 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -86.8 | -12.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S76 Q77 Q78 | S76-A80 WeakPolarHBondContact O-CB 3.27Å; Q77-A80 PolarHBondContact O-N 2.92Å; Q78-A80 VanDerWaalsContact C-N 3.34Å |
| 81 | N | 51.7 | Low | 50.6 | Low | 106 Ų | 106 | 132.9 Ų | 132.9 | 57% | 0.567 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -109.1 | -6.3 | -173.8 | -151 | 10.6 | 0 | 0 | 0 | 114.2 | Q77 | Q77-N81 WeakPolarHBondContact O-CB 3.45Å; Q77-N81 PolarHBondContact O-N 3.43Å |
| 82 | E | 52.3 | Low | 50.6 | Low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -85.3 | -11.2 | 172.8 | -73.3 | -171 | 134.6 | 0 | 0 | 113.9 | ||
| 83 | Q | 48.5 | Very low | 50.3 | Low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -91.3 | -7.5 | 177.5 | -71.9 | -164.9 | -8.1 | 0 | 0 | 114.9 | ||
| 84 | T | 48.5 | Very low | 50 | Low | 105 Ų | 105 | 138.3 Ų | 138.3 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -105.1 | -7.6 | -168.8 | -4.8 | 0 | 0 | 0 | 0 | 115 | ||
| 85 | I | 50.3 | Low | 49.8 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -110 | 41.5 | -178.1 | -40.2 | -179 | 0 | 0 | 0 | 111.2 | ||
| 86 | N | 46 | Very low | 49.6 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -153.9 | 63.3 | 175.6 | -141.3 | -10.2 | 0 | 0 | 0 | 113.2 | ||
| 87 | K | 47.4 | Very low | 49.3 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -164.9 | 50.5 | 173.6 | -110.7 | 157.3 | -161.6 | 174.7 | 0 | 114 | ||||
| 88 | Q | 45.1 | Very low | 48.7 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -143.6 | 104.3 | 164.4 | -115.1 | 170 | 8.2 | 0 | 0 | 112.9 | ||
| 89 | S | 43 | Very low | 48.2 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 47.5 | 86.9 | 145 | 60.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 90 | V | 44.4 | Very low | 48.2 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -135.4 | 121.3 | 133.3 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 91 | Q | 41.9 | Very low | 47.8 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -75.1 | 135.3 | 165 | -64 | 171.9 | -4.3 | 0 | 0 | 108.4 | ||||
| 92 | V | 52 | Low | 47.6 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 174.3 | 134.7 | 141.1 | 147.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 93 | E | 47.8 | Very low | 47.6 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 18.5 | 113 | 162.1 | -59.8 | -177.6 | 117 | 0 | 0 | 120.9 | ||||
| 94 | A | 45.9 | Very low | 47.6 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | trans | -151.3 | 115.9 | 137.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 95 | A | 51.5 | Low | 47.6 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -94.7 | 132.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 96 | K | 51 | Low | 47.3 | Very low | 189 Ų | 189 | 149 Ų | 149 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 88.2 | 125.2 | 161.8 | -60 | -178.5 | 177.1 | 178.5 | 0 | 119.3 | ||||
| 97 | N | 51.4 | Low | 47.2 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 75.8 | 131.8 | 156.5 | -52.9 | -4.9 | 0 | 0 | 0 | 116.4 | ||||
| 98 | E | 41.4 | Very low | 47.1 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | cis | -158.5 | 120.4 | 5.1 | -136.3 | -179.4 | 142.1 | 0 | 0 | 114.1 | ||||
| 99 | R | 44.9 | Very low | 47.4 | Very low | 234 Ų | 234 | 150.3 Ų | 150.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | 59 | 164.3 | 149.7 | -104 | -153.8 | 140.2 | 100.5 | -3.2 | 121.6 | ||||
| 100 | P | 52.8 | Low | 47.7 | Very low | 83 Ų | 83 | 150.6 Ų | 150.6 | 54% | 0.539 | 79% | 0.79 | S | S | . | * | -142.7 | -171.4 | -116.7 | 45.3 | -24.6 | 0 | 0 | 0 | 118.1 | |||||
| 101 | D | 45.7 | Very low | 47.8 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | trans | 70.4 | 148.7 | 149.3 | -73.6 | -17.6 | 0 | 0 | 0 | 119.3 | ||||
| 102 | K | 47.1 | Very low | 48.4 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | cis | -169.1 | 144.5 | -3.8 | -117.8 | 161.8 | -169.5 | 144.8 | 0 | 111.9 | ||||
| 103 | S | 52.8 | Low | 48.8 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | 54.4 | 158.9 | 143.8 | 71.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 104 | A | 48.7 | Very low | 49.1 | Very low | 78 Ų | 78 | 152 Ų | 152 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | cis | -168.4 | 162.9 | 10.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 105 | H | 49 | Very low | 49.2 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | 59.4 | 163.3 | 157.4 | -79.9 | -101 | 0 | 0 | 0 | 118 | ||||
| 106 | E | 43.7 | Very low | 49.5 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | cis | -165.5 | 135.5 | 22.5 | -166.1 | -178.1 | 146.2 | 0 | 0 | 111.7 | ||||
| 107 | T | 44.5 | Very low | 49.7 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -177.9 | 121.4 | 136 | 9.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 108 | Q | 45 | Very low | 50 | Low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -148.9 | 112.3 | 160 | -161.1 | 179.6 | 61.9 | 0 | 0 | 109.2 | ||||
| 109 | R | 50.2 | Low | 50.9 | Low | 239 Ų | 239 | 150 Ų | 150 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -142 | 96.7 | 173.7 | -81.9 | -177.4 | 169.9 | -179.1 | -3.4 | 106.6 | ||||
| 110 | V | 49.3 | Very low | 51.3 | Low | 116 Ų | 116 | 142.5 Ų | 142.5 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | 59.4 | 77.5 | 79.3 | -170.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 111 | Q | 46.6 | Very low | 51.3 | Low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | 30.1 | 105.4 | 119.7 | -167.5 | 172.7 | 69.3 | 0 | 0 | 117.6 | |||||
| 112 | L | 55 | Low | 51.8 | Low | 151 Ų | 151 | 142.3 Ų | 142.3 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -151.9 | 93.8 | 168.8 | -93.3 | 168.3 | 0 | 0 | 0 | 109.7 | ||||
| 113 | F | 60.5 | Low | 52 | Low | 212 Ų | 212 | 145.8 Ų | 145.8 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -174.8 | 108.5 | 148.5 | -82.3 | -53.3 | 0 | 0 | 0 | 108.1 | ||||
| 114 | P | 54 | Low | 51.9 | Low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -71 | 162.5 | 175.2 | -18.8 | 33.8 | 0 | 0 | 0 | 113 | D116 | P114-D116 WeakPolarHBondContact CB-OD2 3.5Š| ||
| 115 | A | 47.3 | Very low | 52.1 | Low | 101 Ų | 101 | 147.1 Ų | 147.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -119.3 | 107.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 116 | D | 57.8 | Low | 52.8 | Low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -162.4 | 141.2 | -178.9 | -37.4 | -112 | 0 | 0 | 0 | 106.6 | P114 | P114-D116 WeakPolarHBondContact CB-OD2 3.5Š| ||
| 117 | D | 55.1 | Low | 53.5 | Low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | cis | -159.5 | -176.3 | -26.9 | -166.2 | 7.8 | 0 | 0 | 0 | 107.7 | ||||
| 118 | E | 58.3 | Low | 54.2 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 57.4 | 111.2 | 163.4 | -86.7 | -92.6 | 113.7 | 0 | 0 | 119.6 | ||||
| 119 | P | 60.5 | Low | 54.6 | Low | 117 Ų | 117 | 138.9 Ų | 138.9 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -81.9 | 115.9 | 164.2 | 32.6 | -30 | 0 | 0 | 0 | 111.4 | ||||
| 120 | A | 52.6 | Low | 54.9 | Low | 77 Ų | 77 | 134.2 Ų | 134.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -55.1 | 128 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G122 | A120-G122 PolarHBondContact O-N 3.49Š| ||
| 121 | P | 53.1 | Low | 55.5 | Low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 116.5 | 178.1 | 29.8 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 122 | G | 56.7 | Low | 56.5 | Low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 160.7 | -13.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | A120 S124 | A120-G122 PolarHBondContact O-N 3.49Å; G122-S124 PolarHBondContact O-N 3.32Å |
| 123 | Y | 52.2 | Low | 56.8 | Low | 229 Ų | 229 | 133.3 Ų | 133.3 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -76.4 | 92 | 177.7 | -78.4 | -83.9 | 0 | 0 | 0 | 111.7 | S125 | Y123-S125 PolarHBondContact O-N 2.95Š| ||
| 124 | S | 50.3 | Low | 56.8 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -59.7 | 129.4 | 175.5 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | G122 C126 | G122-S124 PolarHBondContact O-N 3.32Å; S124-C126 PolarHBondContact O-N 2.97Å | ||
| 125 | S | 51.7 | Low | 57.4 | Low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -60.5 | 116.6 | -173.9 | -176.5 | 0 | 0 | 0 | 0 | 113.2 | Y123 | Y123-S125 PolarHBondContact O-N 2.95Š| ||
| 126 | C | 64.6 | Low | 58.1 | Low | 112 Ų | 112 | 134 Ų | 134 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -132.2 | -0.5 | 164.6 | 64.6 | 0 | 0 | 0 | 0 | 113.5 | S124 | S124-C126 PolarHBondContact O-N 2.97Š| ||
| 127 | L | 57.2 | Low | 58.4 | Low | 152 Ų | 152 | 132.2 Ų | 132.2 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -128.1 | 69.3 | -174.1 | -70.2 | 175.6 | 0 | 0 | 0 | 112 | ||
| 128 | T | 59.5 | Low | 59.1 | Low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | -178.1 | 101.4 | 139.9 | 18.4 | 0 | 0 | 0 | 0 | 109.7 | K130 | T128-K130 PolarHBondContact O-N 3.48Š| ||
| 129 | P | 54.5 | Low | 58.8 | Low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -57 | 129.5 | 156.4 | -18.7 | 32.2 | 0 | 0 | 0 | 108.2 | A131 | P129-A131 PolarHBondContact O-N 2.87Š| ||
| 130 | K | 57 | Low | 58.6 | Low | 141 Ų | 141 | 128.7 Ų | 128.7 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | trans | -54.8 | 111.2 | -178.5 | -141.5 | 160.5 | -179.6 | 174.9 | 0 | 108.9 | T128 W132 | T128-K130 PolarHBondContact O-N 3.48Å; K130-W132 HydrophobicContact CD-CE3 4.11Å; K130-W132 HydrophobicContact CD-CZ3 4Å; K130-W132 HydrophobicContact CG-CD2 3.87Å; K130-W132 HydrophobicContact CG-CE3 3.55Å; K130-W132 HydrophobicContact CG-CH2 4.02Å; K130-W132 HydrophobicContact CG-CZ2 4.3Å; K130-W132 HydrophobicContact CG-CZ3 3.67Å; K130-W132 PolarHBondContact O-N 3.42Å | ||
| 131 | A | 60.7 | Low | 58.5 | Low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 21 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P129 | P129-A131 PolarHBondContact O-N 2.87Š|
| 132 | W | 68 | Low | 58.4 | Low | 206 Ų | 206 | 135.3 Ų | 135.3 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -5.2 | -163.9 | -35.1 | -37.4 | 0 | 0 | 0 | 112.7 | K130 | K130-W132 HydrophobicContact CD-CE3 4.11Å; K130-W132 HydrophobicContact CD-CZ3 4Å; K130-W132 HydrophobicContact CG-CD2 3.87Å; K130-W132 HydrophobicContact CG-CE3 3.55Å; K130-W132 HydrophobicContact CG-CH2 4.02Å; K130-W132 HydrophobicContact CG-CZ2 4.3Å; K130-W132 HydrophobicContact CG-CZ3 3.67Å; K130-W132 PolarHBondContact O-N 3.42Å |
| 133 | D | 61.9 | Low | 58 | Low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -103.8 | 12.9 | -177.2 | -98.9 | -29.7 | 0 | 0 | 0 | 114 | ||||
| 134 | L | 58.9 | Low | 58 | Low | 149 Ų | 149 | 134.9 Ų | 134.9 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -88.5 | 129.7 | 175.1 | -73 | 171.5 | 0 | 0 | 0 | 110.6 | M136 | L134-M136 PolarHBondContact O-N 3.07Š|
| 135 | P | 67.6 | Low | 58 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131.4 | 173.3 | 26.1 | -33.4 | 0 | 0 | 0 | 109.5 | ||
| 136 | M | 62.7 | Low | 57.8 | Low | 176 Ų | 176 | 143.6 Ų | 143.6 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 125 | -174.4 | -169.3 | 164 | 62.4 | 0 | 0 | 110.7 | L134 | L134-M136 PolarHBondContact O-N 3.07Š|
| 137 | P | 64.1 | Low | 57.1 | Low | 106 Ų | 106 | 145.2 Ų | 145.2 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 140.3 | -178.8 | 25.5 | -33.7 | 0 | 0 | 0 | 110.1 | S139 | P137-S139 PolarHBondContact O-N 3.27Š|
| 138 | P | 68.5 | Low | 56.8 | Low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.6 | -179.8 | 25.3 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 139 | S | 53.4 | Low | 56.6 | Low | 97 Ų | 97 | 150.7 Ų | 150.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 140.9 | -171.2 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | P137 Q141 | P137-S139 PolarHBondContact O-N 3.27Å; S139-Q141 VanDerWaalsContact C-N 3.28Å; S139-Q141 PolarHBondContact O-N 2.92Å |
| 140 | P | 55.1 | Low | 56.5 | Low | 124 Ų | 124 | 153.8 Ų | 153.8 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -75.4 | 75 | -179.6 | 32.2 | -36.3 | 0 | 0 | 0 | 111.7 | ||
| 141 | Q | 51.2 | Low | 56.5 | Low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -133.4 | 15.7 | 177.8 | -79.3 | -169.7 | -36 | 0 | 0 | 114.8 | S139 | S139-Q141 VanDerWaalsContact C-N 3.28Å; S139-Q141 PolarHBondContact O-N 2.92Å | ||
| 142 | Q | 51.7 | Low | 56.3 | Low | 172 Ų | 172 | 161.6 Ų | 161.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -120 | 4.5 | 174.4 | -81 | -165.1 | -12.8 | 0 | 0 | 116 | T144 | Q142-T144 PolarHBondContact O-N 2.77Š|
| 143 | E | 48.1 | Very low | 55.7 | Low | 158 Ų | 158 | 161.3 Ų | 161.3 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -17.8 | 178.6 | -68.3 | -159.9 | 127.3 | 0 | 0 | 114.2 | H147 | E143-H147 PolarHBondContact O-CD2 3.48Š|
| 144 | T | 51.2 | Low | 55.4 | Low | 132 Ų | 132 | 159.6 Ų | 159.6 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -23.9 | -172.2 | -23.9 | 0 | 0 | 0 | 0 | 114.7 | Q142 | Q142-T144 PolarHBondContact O-N 2.77Š|
| 145 | E | 50.4 | Low | 55.3 | Low | 180 Ų | 180 | 162.3 Ų | 162.3 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -21.3 | -170.4 | -153.5 | -175.8 | 153.3 | 0 | 0 | 114.3 | ||
| 146 | R | 47.3 | Very low | 54.9 | Low | 224 Ų | 224 | 165.3 Ų | 165.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -85.9 | -7.8 | -177.5 | -86.8 | -176.6 | 169.4 | -175.7 | -1 | 115.4 | ||
| 147 | H | 50 | Low | 54.5 | Low | 146 Ų | 146 | 163 Ų | 163 | 68% | 0.676 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -87.2 | -17.2 | -173.9 | -83.5 | -100.1 | 0 | 0 | 0 | 115.3 | E143 | E143-H147 PolarHBondContact O-CD2 3.48Š|
| 148 | E | 51.6 | Low | 54.1 | Low | 177 Ų | 177 | 161.8 Ų | 161.8 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -76 | -29.6 | -171 | -156.1 | 179.7 | 163 | 0 | 0 | 114.4 | K150 | E148-K150 VanDerWaalsContact C-N 3.27Å; E148-K150 PolarHBondContact O-N 3.21Å |
| 149 | K | 54.7 | Low | 53.4 | Low | 211 Ų | 211 | 164.8 Ų | 164.8 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -77.2 | 0.6 | -174.8 | -72.8 | 179.2 | 179.8 | 168.9 | 0 | 115.3 | ||
| 150 | K | 53.4 | Low | 53.5 | Low | 188 Ų | 188 | 166.7 Ų | 166.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -99.4 | -2.4 | -173.8 | -133.9 | 170.1 | -173.7 | 173.6 | 0 | 115.9 | E148 | E148-K150 VanDerWaalsContact C-N 3.27Å; E148-K150 PolarHBondContact O-N 3.21Å |
| 151 | N | 56.2 | Low | 53.6 | Low | 136 Ų | 136 | 169.5 Ų | 169.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -97.7 | 10.4 | -169 | -103.2 | -18.8 | 0 | 0 | 0 | 117.6 | ||
| 152 | R | 56 | Low | 53.8 | Low | 251 Ų | 251 | 166.6 Ų | 166.6 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -98.4 | -2.5 | -176.9 | -97.8 | -177.8 | 175.5 | -178.8 | -0.8 | 117.5 | ||
| 153 | K | 55.3 | Low | 53.7 | Low | 200 Ų | 200 | 168.2 Ų | 168.2 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -109.7 | -0.1 | -174.9 | -75.2 | -173 | 176.6 | 179.1 | 0 | 116.9 | ||
| 154 | T | 56.9 | Low | 54.1 | Low | 111 Ų | 111 | 164 Ų | 164 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -98.4 | -10.2 | -172.7 | 40.2 | 0 | 0 | 0 | 0 | 115.8 | K156 | T154-K156 PolarHBondContact O-N 3.26Š|
| 155 | K | 56.4 | Low | 54.3 | Low | 206 Ų | 206 | 166.4 Ų | 166.4 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -6.7 | -174 | -148.3 | 167.6 | -174.2 | 173.9 | 0 | 115.6 | ||
| 156 | K | 58 | Low | 54.4 | Low | 179 Ų | 179 | 165.5 Ų | 165.5 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -18.3 | -175.2 | -123.7 | 179.8 | -176.9 | -178.9 | 0 | 115.8 | T154 | T154-K156 PolarHBondContact O-N 3.26Š|
| 157 | N | 55 | Low | 54.9 | Low | 129 Ų | 129 | 159.1 Ų | 159.1 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -98.3 | -6 | -171.2 | -77.8 | -13.7 | 0 | 0 | 0 | 116.1 | ||
| 158 | A | 55.4 | Low | 55.3 | Low | 80 Ų | 80 | 160.2 Ų | 160.2 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H160 | A158-H160 PolarHBondContact O-N 3.29Š|
| 159 | K | 55.2 | Low | 55.5 | Low | 188 Ų | 188 | 160.1 Ų | 160.1 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -16 | -176.2 | -83.9 | -172.1 | 173 | -177.1 | 0 | 115.2 | ||
| 160 | H | 55.5 | Low | 55.6 | Low | 138 Ų | 138 | 154.5 Ų | 154.5 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -19.8 | -179.7 | -74.6 | -83.8 | 0 | 0 | 0 | 114.1 | A158 T162 | A158-H160 PolarHBondContact O-N 3.29Å; H160-T162 PolarHBondContact O-N 2.9Å |
| 161 | K | 55.6 | Low | 55.7 | Low | 182 Ų | 182 | 155.2 Ų | 155.2 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -21 | -172.7 | -120.1 | 177.7 | -178.3 | 179 | 0 | 114.8 | ||
| 162 | T | 55.9 | Low | 55.7 | Low | 110 Ų | 110 | 156.3 Ų | 156.3 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -20.3 | 177.1 | 29.9 | 0 | 0 | 0 | 0 | 114.3 | H160 | H160-T162 PolarHBondContact O-N 2.9Š|
| 163 | R | 49.6 | Very low | 55.8 | Low | 207 Ų | 207 | 152.5 Ų | 152.5 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -33.3 | -178.4 | -145.9 | 175 | -173 | -168.8 | 0.6 | 113 | K165 | R163-K165 PolarHBondContact O-N 3.42Š|
| 164 | A | 57 | Low | 55.7 | Low | 68 Ų | 68 | 148 Ų | 148 | 56% | 0.562 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -15.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T167 | A164-T167 PolarHBondContact O-OG1 3.49Š|
| 165 | K | 55.5 | Low | 55.6 | Low | 184 Ų | 184 | 146.9 Ų | 146.9 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -19.1 | 176.5 | -91.9 | -168.6 | 173.1 | -172.3 | 0 | 114.3 | R163 | R163-K165 PolarHBondContact O-N 3.42Š|
| 166 | K | 53.1 | Low | 55.6 | Low | 161 Ų | 161 | 145.9 Ų | 145.9 | 70% | 0.7 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -44.5 | 175.9 | -71.5 | -169 | 172.5 | -171.5 | 0 | 112 | K168 K169 D170 | K166-K168 PolarHBondContact O-N 2.96Å; K166-K169 PolarHBondContact O-N 3.01Å; K166-D170 PolarHBondContact O-N 3.19Å |
| 167 | T | 57.8 | Low | 55.4 | Low | 89 Ų | 89 | 141.3 Ų | 141.3 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -62 | -20 | -176.4 | 51.2 | 0 | 0 | 0 | 0 | 115.5 | A164 | A164-T167 PolarHBondContact O-OG1 3.49Å |
| 168 | K | 56.5 | Low | 55.3 | Low | 169 Ų | 169 | 139.8 Ų | 139.8 | 74% | 0.735 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -83.1 | -20 | 175.4 | -145 | 178.3 | -174.7 | -174.4 | 0 | 113.5 | K166 | K166-K168 PolarHBondContact O-N 2.96Å |
| 169 | K | 57.3 | Low | 54.7 | Low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -88.3 | -31.4 | 176.7 | -155.8 | 174.4 | -174.8 | -179 | 0 | 112 | K166 | K166-K169 PolarHBondContact O-N 3.01Å |
| 170 | D | 56.3 | Low | 54.4 | Low | 92 Ų | 92 | 141.7 Ų | 141.7 | 49% | 0.492 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -79.4 | -27.4 | 179.1 | -60.4 | -41.1 | 0 | 0 | 0 | 113.4 | K166 H172 K173 T174 | K166-D170 PolarHBondContact O-N 3.19Å; D170-H172 PolarHBondContact O-N 3.33Å; D170-H172 VanDerWaalsContact O-N 3.12Å; D170-K173 PolarHBondContact O-N 2.81Å; D170-T174 PolarHBondContact O-OG1 3.48Å |
| 171 | R | 55.5 | Low | 54.3 | Low | 204 Ų | 204 | 144.4 Ų | 144.4 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -25.2 | 177.8 | -100.3 | -174.2 | 176.5 | -178 | -0.9 | 114.8 | ||
| 172 | H | 55.5 | Low | 53.7 | Low | 158 Ų | 158 | 145.1 Ų | 145.1 | 73% | 0.731 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -5.8 | 177.2 | -72.8 | -79.2 | 0 | 0 | 0 | 113.9 | D170 | D170-H172 PolarHBondContact O-N 3.33Å; D170-H172 VanDerWaalsContact O-N 3.12Å |
| 173 | K | 57.9 | Low | 53.8 | Low | 172 Ų | 172 | 149.6 Ų | 149.6 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -27.7 | 174.9 | -72.2 | -169 | 169.3 | -167.5 | 0 | 113.5 | D170 | D170-K173 PolarHBondContact O-N 2.81Š|
| 174 | T | 53.8 | Low | 53.8 | Low | 106 Ų | 106 | 148.6 Ų | 148.6 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -85.1 | -14.5 | -176.9 | -20.8 | 0 | 0 | 0 | 0 | 113.7 | D170 Q176 A177 | D170-T174 PolarHBondContact O-OG1 3.48Å; T174-Q176 VanDerWaalsContact C-N 3.27Å; T174-Q176 PolarHBondContact O-N 3.07Å; T174-A177 PolarHBondContact O-N 3.25Å |
| 175 | A | 55.7 | Low | 53.4 | Low | 87 Ų | 87 | 154.2 Ų | 154.2 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -75.9 | -5.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 176 | Q | 54.8 | Low | 53.1 | Low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -101.5 | 7.3 | 174.6 | -71.1 | -169.2 | -15.7 | 0 | 0 | 113.6 | T174 S178 | T174-Q176 VanDerWaalsContact C-N 3.27Å; T174-Q176 PolarHBondContact O-N 3.07Å; Q176-S178 PolarHBondContact O-N 3.36Å |
| 177 | A | 55.3 | Low | 52.5 | Low | 83 Ų | 83 | 151.7 Ų | 151.7 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -78.1 | 100.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T174 | T174-A177 PolarHBondContact O-N 3.25Š|
| 178 | S | 51.3 | Low | 52.2 | Low | 96 Ų | 96 | 157.5 Ų | 157.5 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -41.7 | 141.5 | -173.8 | -159.6 | 0 | 0 | 0 | 0 | 117.3 | Q176 K180 | Q176-S178 PolarHBondContact O-N 3.36Å; S178-K180 PolarHBondContact O-N 3.04Å | ||
| 179 | P | 44.4 | Very low | 51.5 | Low | 128 Ų | 128 | 162.3 Ų | 162.3 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -82 | 99.4 | 175.4 | 33.2 | -32.9 | 0 | 0 | 0 | 111.9 | ||||
| 180 | K | 47.7 | Very low | 51.2 | Low | 180 Ų | 180 | 161.6 Ų | 161.6 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -136 | 108.3 | 164.6 | -78.5 | -176.3 | 175.5 | 178.1 | 0 | 110.2 | S178 | S178-K180 PolarHBondContact O-N 3.04Š| ||
| 181 | H | 53.2 | Low | 50.9 | Low | 195 Ų | 195 | 165.3 Ų | 165.3 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | -178.6 | 152.7 | 123.5 | -108.3 | -88.4 | 0 | 0 | 0 | 112.8 | |||||
| 182 | K | 44.3 | Very low | 50.7 | Low | 198 Ų | 198 | 163.1 Ų | 163.1 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -90.1 | 147.1 | -177.2 | -58.7 | 175.8 | 177.3 | 179.4 | 0 | 112.8 | ||||
| 183 | K | 56.6 | Low | 50.4 | Low | 204 Ų | 204 | 163.4 Ų | 163.4 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -165.4 | 118.2 | 145.9 | -101.1 | 178.8 | 176.5 | -173.7 | 0 | 105 | ||||
| 184 | K | 51.1 | Low | 49.9 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | cis | 59 | 125.1 | 49.7 | -90 | -152 | 172.3 | -162 | 0 | 114.4 | ||||
| 185 | E | 46.9 | Very low | 49.7 | Very low | 186 Ų | 186 | 166.7 Ų | 166.7 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | trans | 66.7 | 145.9 | 174 | -68.1 | 156.9 | 124 | 0 | 0 | 116.2 | ||||
| 186 | S | 49.2 | Very low | 49.3 | Very low | 120 Ų | 120 | 172.4 Ų | 172.4 | 84% | 0.839 | 85% | 0.85 | S | S | * | * | cis | -134.6 | 158.9 | 18.9 | 54.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 187 | E | 42.3 | Very low | 48.8 | Very low | 173 Ų | 173 | 171.4 Ų | 171.4 | 81% | 0.808 | 85% | 0.848 | S | S | * | * | trans | -87.4 | 150.6 | -179.1 | 176.5 | 173.1 | -144.5 | 0 | 0 | 112.6 | ||||
| 188 | K | 50.1 | Low | 48.3 | Very low | 210 Ų | 210 | 178.8 Ų | 178.8 | 91% | 0.913 | 86% | 0.862 | S | S | * | * | trans | -159.1 | 91 | 155.7 | -101.8 | -165.5 | -177.8 | -174.3 | 0 | 110.7 | ||||
| 189 | K | 42.5 | Very low | 48 | Very low | 270 Ų | 270 | 186.3 Ų | 186.3 | 100% | 1.174 | 88% | 0.879 | S | S | * | * | trans | -141.9 | 0 | 148.6 | -94.4 | -163.4 | 174.3 | -173.4 | 0 | 107.9 |
Retrieved 189 of 189 residues in 763.8 ms
(Link to these results)