| 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 | 48.6 | Very low | 70.4 | Confident | 237 Ų | 237 | 117.1 Ų | 117.1 | 100% | 1.167 | 65% | 0.653 | S | S | * | * | 0 | 95.7 | 0 | -157.3 | 177.8 | -82.4 | 0 | 0 | 105 | N3 | M1-N3 PolarHBondContact O-N 3.39Š| |||
| 2 | I | 59.6 | Low | 72.2 | Confident | 161 Ų | 161 | 119.1 Ų | 119.1 | 83% | 0.826 | 65% | 0.653 | S | S | * | * | trans | -73.9 | 123.2 | -174 | -64.3 | 166.6 | 0 | 0 | 0 | 106.7 | T4 | I2-T4 PolarHBondContact O-N 2.77Š| ||
| 3 | N | 59.6 | Low | 73.9 | Confident | 102 Ų | 102 | 114.5 Ų | 114.5 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | trans | -58.5 | 107.6 | -172.8 | -70.7 | -33.7 | 0 | 0 | 0 | 110.5 | M1 M5 E6 C7 | M1-N3 PolarHBondContact O-N 3.39Å; N3-M5 PolarHBondContact O-N 3.09Å; N3-M5 VanDerWaalsContact O-N 3.16Å; N3-E6 HydrophobicContact CB-CB 4.38Å; N3-E6 HydrophobicContact CB-CG 4.46Å; N3-E6 WeakPolarHBondContact CB-OE2 3.06Å; N3-E6 PolarHBondContact ND2-OE2 3.14Å; N3-E6 VanDerWaalsContact ND2-OE2 3.09Å; N3-E6 PolarHBondContact O-N 3.23Å; N3-E6 VanDerWaalsContact O-N 3.14Å; N3-C7 PolarHBondContact O-N 3.16Å | ||
| 4 | T | 65.5 | Low | 75.4 | Confident | 121 Ų | 121 | 114.6 Ų | 114.6 | 74% | 0.742 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.5 | -26.6 | -179.4 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | I2 A8 | I2-T4 PolarHBondContact O-N 2.77Å; T4-A8 PolarHBondContact O-N 3.44Å |
| 5 | M | 69.1 | Low | 76.7 | Confident | 159 Ų | 159 | 113.7 Ų | 113.7 | 78% | 0.783 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.9 | -40.3 | 174.9 | -93 | -172.2 | 145.4 | 0 | 0 | 113.7 | N3 A8 V9 | N3-M5 PolarHBondContact O-N 3.09Å; N3-M5 VanDerWaalsContact O-N 3.16Å; M5-A8 PolarHBondContact O-N 3.09Å; M5-V9 WeakPolarHBondContact O-CG2 3.35Å; M5-V9 PolarHBondContact O-N 2.88Å; M5-V9 VanDerWaalsContact O-N 3.09Å |
| 6 | E | 67.8 | Low | 77.9 | Confident | 122 Ų | 122 | 110.3 Ų | 110.3 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 178.2 | -82.3 | 174 | 134.3 | 0 | 0 | 111.1 | N3 A8 V9 D10 | N3-E6 HydrophobicContact CB-CB 4.38Å; N3-E6 HydrophobicContact CB-CG 4.46Å; N3-E6 WeakPolarHBondContact CB-OE2 3.06Å; N3-E6 PolarHBondContact ND2-OE2 3.14Å; N3-E6 VanDerWaalsContact ND2-OE2 3.09Å; N3-E6 PolarHBondContact O-N 3.23Å; N3-E6 VanDerWaalsContact O-N 3.14Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.3Å; E6-V9 PolarHBondContact O-N 2.89Å; E6-D10 WeakPolarHBondContact O-CB 3.18Å; E6-D10 PolarHBondContact O-N 3.37Å |
| 7 | C | 70.8 | Confident | 78.9 | Confident | 84 Ų | 84 | 108.9 Ų | 108.9 | 57% | 0.568 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.2 | -37 | 174.9 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | N3 A11 | N3-C7 PolarHBondContact O-N 3.16Å; C7-A11 VanDerWaalsContact O-CB 3.26Å; C7-A11 WeakPolarHBondContact O-CB 3.43Å; C7-A11 PolarHBondContact O-N 3.42Å |
| 8 | A | 73.9 | Confident | 79.8 | Confident | 53 Ų | 53 | 105.8 Ų | 105.8 | 44% | 0.438 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.6 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T4 M5 E6 Q12 | T4-A8 PolarHBondContact O-N 3.44Å; M5-A8 PolarHBondContact O-N 3.09Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.3Å; A8-Q12 WeakPolarHBondContact O-CG 3.43Å; A8-Q12 PolarHBondContact O-N 3.01Å |
| 9 | V | 80.5 | Confident | 80.5 | Confident | 94 Ų | 94 | 105.9 Ų | 105.9 | 57% | 0.57 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.9 | -41 | 177.5 | 176 | 0 | 0 | 0 | 0 | 110.9 | M5 E6 Q12 S13 | M5-V9 WeakPolarHBondContact O-CG2 3.35Å; M5-V9 PolarHBondContact O-N 2.88Å; M5-V9 VanDerWaalsContact O-N 3.09Å; E6-V9 PolarHBondContact O-N 2.89Å; V9-Q12 PolarHBondContact O-N 3.31Å; V9-S13 WeakPolarHBondContact O-CB 3.39Å; V9-S13 PolarHBondContact O-N 2.91Å |
| 10 | D | 87.9 | Confident | 81.1 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 57% | 0.572 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64 | -43.1 | 174.4 | -80 | -16.1 | 0 | 0 | 0 | 111.7 | E6 Q12 S13 L14 | E6-D10 WeakPolarHBondContact O-CB 3.18Å; E6-D10 PolarHBondContact O-N 3.37Å; D10-Q12 VanDerWaalsContact C-N 3.34Å; D10-Q12 PolarHBondContact O-N 2.74Å; D10-S13 WeakPolarHBondContact O-CB 3.35Å; D10-S13 PolarHBondContact O-N 3.44Å; D10-L14 WeakPolarHBondContact O-CB 3.33Å; D10-L14 PolarHBondContact O-N 3.44Å |
| 11 | A | 91.3 | Very high | 81.6 | Confident | 48 Ų | 48 | 110.7 Ų | 110.7 | 40% | 0.397 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.2 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C7 S13 L14 I15 | C7-A11 VanDerWaalsContact O-CB 3.26Å; C7-A11 WeakPolarHBondContact O-CB 3.43Å; C7-A11 PolarHBondContact O-N 3.42Å; A11-S13 PolarHBondContact O-N 2.88Å; A11-L14 PolarHBondContact O-N 3.23Å; A11-I15 WeakPolarHBondContact O-CB 3.46Å; A11-I15 WeakPolarHBondContact O-CD1 3.49Å; A11-I15 WeakPolarHBondContact O-CG1 3.43Å; A11-I15 PolarHBondContact O-N 3.27Å |
| 12 | Q | 92.3 | Very high | 83.4 | Confident | 141 Ų | 141 | 104 Ų | 104 | 66% | 0.659 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -39.7 | 175.3 | -76.8 | -170.5 | 6 | 0 | 0 | 112.7 | A8 V9 D10 I15 S16 | A8-Q12 WeakPolarHBondContact O-CG 3.43Å; A8-Q12 PolarHBondContact O-N 3.01Å; V9-Q12 PolarHBondContact O-N 3.31Å; D10-Q12 VanDerWaalsContact C-N 3.34Å; D10-Q12 PolarHBondContact O-N 2.74Å; Q12-I15 PolarHBondContact O-N 3.43Å; Q12-S16 WeakPolarHBondContact O-CB 3.47Å; Q12-S16 PolarHBondContact O-N 3.22Å |
| 13 | S | 93.8 | Very high | 84.6 | Confident | 60 Ų | 60 | 102.3 Ų | 102.3 | 42% | 0.42 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.1 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | V9 D10 A11 I15 S16 I17 | V9-S13 WeakPolarHBondContact O-CB 3.39Å; V9-S13 PolarHBondContact O-N 2.91Å; D10-S13 WeakPolarHBondContact O-CB 3.35Å; D10-S13 PolarHBondContact O-N 3.44Å; A11-S13 PolarHBondContact O-N 2.88Å; S13-I15 PolarHBondContact O-N 3.05Å; S13-S16 WeakPolarHBondContact O-CB 3.34Å; S13-S16 PolarHBondContact O-N 3.49Å; S13-I17 WeakPolarHBondContact O-CB 3.49Å; S13-I17 VanDerWaalsContact O-CG1 3.23Å; S13-I17 WeakPolarHBondContact O-CG1 3.2Å; S13-I17 PolarHBondContact O-N 2.92Å |
| 14 | L | 94.5 | Very high | 85.7 | Confident | 115 Ų | 115 | 101.2 Ų | 101.2 | 60% | 0.602 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 178.9 | -129.4 | 144.4 | 0 | 0 | 0 | 112.1 | D10 A11 S18 | D10-L14 WeakPolarHBondContact O-CB 3.33Å; D10-L14 PolarHBondContact O-N 3.44Å; A11-L14 PolarHBondContact O-N 3.23Å; L14-S18 VanDerWaalsContact O-CB 3.27Å; L14-S18 WeakPolarHBondContact O-CB 3.23Å; L14-S18 PolarHBondContact O-N 2.88Å; L14-S18 PolarHBondContact O-OG 3.01Å |
| 15 | I | 95.3 | Very high | 86.4 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 172.8 | -69 | 163.1 | 0 | 0 | 0 | 110.3 | A11 Q12 S13 I17 S18 L19 | A11-I15 WeakPolarHBondContact O-CB 3.46Å; A11-I15 WeakPolarHBondContact O-CD1 3.49Å; A11-I15 WeakPolarHBondContact O-CG1 3.43Å; A11-I15 PolarHBondContact O-N 3.27Å; Q12-I15 PolarHBondContact O-N 3.43Å; S13-I15 PolarHBondContact O-N 3.05Å; I15-I17 PolarHBondContact O-N 3.35Å; I15-S18 PolarHBondContact O-N 3.5Å; I15-L19 HydrophobicContact CG2-CD1 3.9Å; I15-L19 HydrophobicContact CG2-CG 4.37Å; I15-L19 WeakPolarHBondContact O-CB 3.38Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.01Å |
| 16 | S | 95.8 | Very high | 86.8 | Confident | 59 Ų | 59 | 100.2 Ų | 100.2 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | Q12 S13 L19 R20 | Q12-S16 WeakPolarHBondContact O-CB 3.47Å; Q12-S16 PolarHBondContact O-N 3.22Å; S13-S16 WeakPolarHBondContact O-CB 3.34Å; S13-S16 PolarHBondContact O-N 3.49Å; S16-L19 PolarHBondContact O-N 3.01Å; S16-R20 WeakPolarHBondContact O-CB 3.31Å; S16-R20 PolarHBondContact O-N 3.21Å |
| 17 | I | 94.5 | Very high | 86.9 | Confident | 87 Ų | 87 | 98.6 Ų | 98.6 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.5 | -67.1 | 164 | 0 | 0 | 0 | 110.4 | S13 I15 R20 K21 | S13-I17 WeakPolarHBondContact O-CB 3.49Å; S13-I17 VanDerWaalsContact O-CG1 3.23Å; S13-I17 WeakPolarHBondContact O-CG1 3.2Å; S13-I17 PolarHBondContact O-N 2.92Å; I15-I17 PolarHBondContact O-N 3.35Å; I17-R20 PolarHBondContact O-N 3.22Å; I17-K21 HydrophobicContact CG2-CD 4.08Å; I17-K21 HydrophobicContact CG2-CG 4.44Å; I17-K21 WeakPolarHBondContact O-CG 3.41Å; I17-K21 PolarHBondContact O-N 2.95Å |
| 18 | S | 95.4 | Very high | 86.9 | Confident | 54 Ų | 54 | 102.3 Ų | 102.3 | 38% | 0.378 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | L14 I15 R20 K21 I22 | L14-S18 VanDerWaalsContact O-CB 3.27Å; L14-S18 WeakPolarHBondContact O-CB 3.23Å; L14-S18 PolarHBondContact O-N 2.88Å; L14-S18 PolarHBondContact O-OG 3.01Å; I15-S18 PolarHBondContact O-N 3.5Å; S18-R20 PolarHBondContact O-N 3.46Å; S18-K21 PolarHBondContact O-N 3.46Å; S18-I22 VanDerWaalsContact O-CG1 3.3Å; S18-I22 WeakPolarHBondContact O-CG1 3.26Å; S18-I22 PolarHBondContact O-N 3.5Å |
| 19 | L | 93.9 | Very high | 86.4 | Confident | 108 Ų | 108 | 110 Ų | 110 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.2 | -41.8 | 175.8 | -71.5 | 172.4 | 0 | 0 | 0 | 111.9 | I15 S16 I22 H23 | I15-L19 HydrophobicContact CG2-CD1 3.9Å; I15-L19 HydrophobicContact CG2-CG 4.37Å; I15-L19 WeakPolarHBondContact O-CB 3.38Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.01Å; S16-L19 PolarHBondContact O-N 3.01Å; L19-I22 PolarHBondContact O-N 3.21Å; L19-H23 WeakPolarHBondContact O-CB 3.45Å; L19-H23 PolarHBondContact O-N 2.88Å |
| 20 | R | 92.1 | Very high | 85.6 | Confident | 160 Ų | 160 | 108.1 Ų | 108.1 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 175.5 | -169.7 | 178.8 | -59.9 | 167.2 | 4.5 | 111.9 | S16 I17 S18 H23 N24 | S16-R20 WeakPolarHBondContact O-CB 3.31Å; S16-R20 PolarHBondContact O-N 3.21Å; I17-R20 PolarHBondContact O-N 3.22Å; S18-R20 PolarHBondContact O-N 3.46Å; R20-H23 PolarHBondContact O-N 3.44Å; R20-N24 WeakPolarHBondContact O-CB 3.5Å; R20-N24 PolarHBondContact O-N 2.76Å |
| 21 | K | 91.4 | Very high | 84.6 | Confident | 152 Ų | 152 | 106 Ų | 106 | 66% | 0.661 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65 | -39.2 | 175.8 | -72.7 | 179.7 | 84.4 | 176.2 | 0 | 111.8 | I17 S18 S25 | I17-K21 HydrophobicContact CG2-CD 4.08Å; I17-K21 HydrophobicContact CG2-CG 4.44Å; I17-K21 WeakPolarHBondContact O-CG 3.41Å; I17-K21 PolarHBondContact O-N 2.95Å; S18-K21 PolarHBondContact O-N 3.46Å; K21-S25 WeakPolarHBondContact O-CB 3.35Å; K21-S25 PolarHBondContact O-N 3.37Å |
| 22 | I | 85.8 | Confident | 83.3 | Confident | 96 Ų | 96 | 109.6 Ų | 109.6 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -46.7 | 174 | -69 | 163.4 | 0 | 0 | 0 | 110.6 | S18 L19 S25 R26 | S18-I22 VanDerWaalsContact O-CG1 3.3Å; S18-I22 WeakPolarHBondContact O-CG1 3.26Å; S18-I22 PolarHBondContact O-N 3.5Å; L19-I22 PolarHBondContact O-N 3.21Å; I22-S25 PolarHBondContact O-N 3.44Å; I22-R26 WeakPolarHBondContact O-CB 3.48Å; I22-R26 VanDerWaalsContact O-CG 3.3Å; I22-R26 WeakPolarHBondContact O-CG 3.42Å; I22-R26 PolarHBondContact O-N 3.36Å |
| 23 | H | 85.4 | Confident | 82.1 | Confident | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.5 | -43.7 | 179.7 | -175 | 17.8 | 0 | 0 | 0 | 112.2 | L19 R20 R26 T27 | L19-H23 WeakPolarHBondContact O-CB 3.45Å; L19-H23 PolarHBondContact O-N 2.88Å; R20-H23 PolarHBondContact O-N 3.44Å; H23-R26 PolarHBondContact O-N 2.93Å; H23-T27 PolarHBondContact ND1-OG1 2.91Å; H23-T27 WeakPolarHBondContact O-CB 3.27Å; H23-T27 PolarHBondContact O-N 3.42Å; H23-T27 PolarHBondContact O-OG1 3.29Å |
| 24 | N | 82.3 | Confident | 80.8 | Confident | 79 Ų | 79 | 113.6 Ų | 113.6 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.4 | -40.2 | 174.3 | -91 | -15.6 | 0 | 0 | 0 | 111.9 | R20 R26 T27 Q28 | R20-N24 WeakPolarHBondContact O-CB 3.5Å; R20-N24 PolarHBondContact O-N 2.76Å; N24-R26 VanDerWaalsContact C-N 3.34Å; N24-R26 PolarHBondContact O-N 2.86Å; N24-T27 PolarHBondContact O-N 3.26Å; N24-Q28 VanDerWaalsContact O-CB 3.3Å; N24-Q28 WeakPolarHBondContact O-CB 3.28Å; N24-Q28 WeakPolarHBondContact O-CG 3.44Å; N24-Q28 PolarHBondContact O-N 2.89Å |
| 25 | S | 81.8 | Confident | 79.6 | Confident | 64 Ų | 64 | 114.1 Ų | 114.1 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.8 | -46.4 | 173.3 | 177.1 | 0 | 0 | 0 | 0 | 111 | K21 I22 T27 R29 | K21-S25 WeakPolarHBondContact O-CB 3.35Å; K21-S25 PolarHBondContact O-N 3.37Å; I22-S25 PolarHBondContact O-N 3.44Å; S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 3.47Å; S25-R29 WeakPolarHBondContact O-CB 3.37Å; S25-R29 PolarHBondContact O-N 2.86Å |
| 26 | R | 76.2 | Confident | 78.7 | Confident | 195 Ų | 195 | 115.8 Ų | 115.8 | 74% | 0.736 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.6 | -33.5 | 177 | -73.1 | 176.6 | 129.5 | -169.8 | -3.8 | 113.2 | I22 H23 N24 | I22-R26 WeakPolarHBondContact O-CB 3.48Å; I22-R26 VanDerWaalsContact O-CG 3.3Å; I22-R26 WeakPolarHBondContact O-CG 3.42Å; I22-R26 PolarHBondContact O-N 3.36Å; H23-R26 PolarHBondContact O-N 2.93Å; N24-R26 VanDerWaalsContact C-N 3.34Å; N24-R26 PolarHBondContact O-N 2.86Å |
| 27 | T | 70.9 | Confident | 77.7 | Confident | 88 Ų | 88 | 117 Ų | 117 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -82.8 | -42.8 | -177.6 | -50.4 | 0 | 0 | 0 | 0 | 112 | H23 N24 S25 | H23-T27 PolarHBondContact ND1-OG1 2.91Å; H23-T27 WeakPolarHBondContact O-CB 3.27Å; H23-T27 PolarHBondContact O-N 3.42Å; H23-T27 PolarHBondContact O-OG1 3.29Å; N24-T27 PolarHBondContact O-N 3.26Å; S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 3.47Å |
| 28 | Q | 70.4 | Confident | 77.2 | Confident | 162 Ų | 162 | 118.9 Ų | 118.9 | 76% | 0.757 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -80.9 | -28.2 | -179 | -70.7 | -172.2 | 5.6 | 0 | 0 | 113.6 | N24 G30 | N24-Q28 VanDerWaalsContact O-CB 3.3Å; N24-Q28 WeakPolarHBondContact O-CB 3.28Å; N24-Q28 WeakPolarHBondContact O-CG 3.44Å; N24-Q28 PolarHBondContact O-N 2.89Å; Q28-G30 PolarHBondContact O-N 2.69Å; Q28-G30 VanDerWaalsContact O-N 3.12Å |
| 29 | R | 63.7 | Low | 76.8 | Confident | 216 Ų | 216 | 120.9 Ų | 120.9 | 82% | 0.815 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 7.5 | 174.1 | -145.1 | 177.1 | -153.7 | -149.2 | 4.3 | 112.6 | S25 G31 | S25-R29 WeakPolarHBondContact O-CB 3.37Å; S25-R29 PolarHBondContact O-N 2.86Å; R29-G31 VanDerWaalsContact C-N 3.31Å; R29-G31 PolarHBondContact O-N 3.15Å; R29-G31 VanDerWaalsContact O-N 3.15Å |
| 30 | G | 62.3 | Low | 76.6 | Confident | 53 Ų | 53 | 119.8 Ų | 119.8 | 55% | 0.546 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 44.9 | 57.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | Q28 I32 | Q28-G30 PolarHBondContact O-N 2.69Å; Q28-G30 VanDerWaalsContact O-N 3.12Å; G30-I32 PolarHBondContact O-N 3.47Å |
| 31 | G | 68.7 | Low | 76.4 | Confident | 64 Ų | 64 | 115.8 Ų | 115.8 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | trans | -49.3 | 121.3 | 171 | 0 | 0 | 0 | 0 | 0 | 107.2 | R29 K33 | R29-G31 VanDerWaalsContact C-N 3.31Å; R29-G31 PolarHBondContact O-N 3.15Å; R29-G31 VanDerWaalsContact O-N 3.15Å; G31-K33 PolarHBondContact O-N 2.76Å; G31-K33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | I | 62.9 | Low | 76.5 | Confident | 123 Ų | 123 | 115.6 Ų | 115.6 | 63% | 0.631 | 59% | 0.591 | S | S | * | * | trans | -43.7 | 124.9 | -177.6 | -70.8 | 171.2 | 0 | 0 | 0 | 107.5 | G30 L34 N37 | G30-I32 PolarHBondContact O-N 3.47Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 3.2Å; I32-N37 WeakPolarHBondContact CG2-ND2 3.3Å | ||
| 33 | K | 67.1 | Low | 77 | Confident | 142 Ų | 142 | 115 Ų | 115 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | trans | -55.8 | 95.7 | -177.8 | -173 | 173.8 | -178.5 | 168.9 | 0 | 107.9 | G31 H35 K36 | G31-K33 PolarHBondContact O-N 2.76Å; G31-K33 VanDerWaalsContact O-N 3.11Å; K33-H35 HydrophobicContact CG-CB 4.2Å; K33-H35 PolarHBondContact O-N 2.92Å; K33-K36 HydrophobicContact CD-CG 4.45Å; K33-K36 PolarHBondContact O-N 2.91Å | ||
| 34 | L | 66 | Low | 77.5 | Confident | 142 Ų | 142 | 114 Ų | 114 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -50.6 | -35.7 | -172.5 | -86.9 | 154.8 | 0 | 0 | 0 | 110.4 | I32 K36 N37 L38 | I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 3.2Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.17Å; L34-N37 PolarHBondContact O-N 3.5Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 3.38Å |
| 35 | H | 69.6 | Low | 78 | Confident | 126 Ų | 126 | 119.6 Ų | 119.6 | 58% | 0.583 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -52.3 | -44.7 | 176.3 | -170.3 | -82.3 | 0 | 0 | 0 | 114.1 | K33 L39 | K33-H35 HydrophobicContact CG-CB 4.2Å; K33-H35 PolarHBondContact O-N 2.92Å; H35-L39 WeakPolarHBondContact O-CB 3.32Å; H35-L39 PolarHBondContact O-N 3.29Å |
| 36 | K | 77.1 | Confident | 78.7 | Confident | 136 Ų | 136 | 119.8 Ų | 119.8 | 59% | 0.591 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.4 | -38.7 | -178.1 | -68.9 | -173.2 | 176.3 | -174.8 | 0 | 111.7 | K33 L34 L39 V40 | K33-K36 HydrophobicContact CD-CG 4.45Å; K33-K36 PolarHBondContact O-N 2.91Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.17Å; K36-L39 PolarHBondContact O-N 2.97Å; K36-V40 VanDerWaalsContact O-CG2 3.27Å; K36-V40 WeakPolarHBondContact O-CG2 3.14Å; K36-V40 PolarHBondContact O-N 2.91Å |
| 37 | N | 75.3 | Confident | 79.6 | Confident | 86 Ų | 86 | 113.3 Ų | 113.3 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.6 | -39.1 | 179.2 | -76.6 | -96 | 0 | 0 | 0 | 111.3 | I32 L34 L39 V40 S41 | I32-N37 WeakPolarHBondContact CG2-ND2 3.3Å; L34-N37 PolarHBondContact O-N 3.5Å; N37-L39 VanDerWaalsContact C-N 3.33Å; N37-L39 PolarHBondContact O-N 2.92Å; N37-V40 PolarHBondContact O-N 3.35Å; N37-S41 WeakPolarHBondContact O-CB 3.34Å; N37-S41 PolarHBondContact O-N 3.42Å; N37-S41 PolarHBondContact O-OG 2.96Å; N37-S41 VanDerWaalsContact O-OG 3.04Å |
| 38 | L | 82.4 | Confident | 80.8 | Confident | 126 Ų | 126 | 116 Ų | 116 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.1 | -39 | 173.9 | -170.9 | 66.8 | 0 | 0 | 0 | 111.4 | L34 Y42 | L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 3.38Å; L38-Y42 WeakPolarHBondContact O-CB 3.49Å; L38-Y42 PolarHBondContact O-N 2.92Å |
| 39 | L | 86.9 | Confident | 81.9 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.2 | -45.5 | 175.2 | -169.8 | 71.5 | 0 | 0 | 0 | 111.4 | H35 K36 N37 Y42 V43 | H35-L39 WeakPolarHBondContact O-CB 3.32Å; H35-L39 PolarHBondContact O-N 3.29Å; K36-L39 PolarHBondContact O-N 2.97Å; N37-L39 VanDerWaalsContact C-N 3.33Å; N37-L39 PolarHBondContact O-N 2.92Å; L39-Y42 PolarHBondContact O-N 3.12Å; L39-V43 WeakPolarHBondContact O-CB 3.06Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.06Å; L39-V43 PolarHBondContact O-N 3.09Å |
| 40 | V | 89.9 | Confident | 83.3 | Confident | 85 Ų | 85 | 106.7 Ų | 106.7 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -46.5 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | K36 N37 Y42 V43 L44 | K36-V40 VanDerWaalsContact O-CG2 3.27Å; K36-V40 WeakPolarHBondContact O-CG2 3.14Å; K36-V40 PolarHBondContact O-N 2.91Å; N37-V40 PolarHBondContact O-N 3.35Å; V40-Y42 VanDerWaalsContact C-N 3.32Å; V40-Y42 PolarHBondContact O-N 2.89Å; V40-V43 PolarHBondContact O-N 3.37Å; V40-L44 HydrophobicContact CG1-CD1 3.86Å; V40-L44 HydrophobicContact CG1-CG 4.37Å; V40-L44 WeakPolarHBondContact O-CB 3.49Å; V40-L44 WeakPolarHBondContact O-CG 3.12Å; V40-L44 PolarHBondContact O-N 3.48Å |
| 41 | S | 88.9 | Confident | 84.8 | Confident | 75 Ų | 75 | 110.4 Ų | 110.4 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.7 | -40.1 | 175.5 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | N37 R45 | N37-S41 WeakPolarHBondContact O-CB 3.34Å; N37-S41 PolarHBondContact O-N 3.42Å; N37-S41 PolarHBondContact O-OG 2.96Å; N37-S41 VanDerWaalsContact O-OG 3.04Å; S41-R45 WeakPolarHBondContact O-CB 3.5Å; S41-R45 PolarHBondContact O-N 3.35Å |
| 42 | Y | 93.8 | Very high | 85.9 | Confident | 148 Ų | 148 | 109.4 Ų | 109.4 | 58% | 0.58 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 176.6 | 178.7 | -95.3 | 0 | 0 | 0 | 112.1 | L38 L39 V40 R45 N46 | L38-Y42 WeakPolarHBondContact O-CB 3.49Å; L38-Y42 PolarHBondContact O-N 2.92Å; L39-Y42 PolarHBondContact O-N 3.12Å; V40-Y42 VanDerWaalsContact C-N 3.32Å; V40-Y42 PolarHBondContact O-N 2.89Å; Y42-R45 PolarHBondContact O-N 3.32Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.3Å; Y42-N46 WeakPolarHBondContact O-CB 3.3Å; Y42-N46 PolarHBondContact O-N 2.82Å; Y42-N46 PolarHBondContact OH-ND2 2.95Å |
| 43 | V | 96.3 | Very high | 87.1 | Confident | 84 Ų | 84 | 107.9 Ų | 107.9 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 178.4 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L39 V40 R45 N46 A47 | L39-V43 WeakPolarHBondContact O-CB 3.06Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.06Å; L39-V43 PolarHBondContact O-N 3.09Å; V40-V43 PolarHBondContact O-N 3.37Å; V43-R45 PolarHBondContact O-N 2.79Å; V43-N46 PolarHBondContact O-N 3.25Å; V43-A47 WeakPolarHBondContact O-CB 3.16Å; V43-A47 PolarHBondContact O-N 3.39Å |
| 44 | L | 95.5 | Very high | 88.1 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 177.6 | -70.7 | 174.7 | 0 | 0 | 0 | 112.1 | V40 A47 R48 | V40-L44 HydrophobicContact CG1-CD1 3.86Å; V40-L44 HydrophobicContact CG1-CG 4.37Å; V40-L44 WeakPolarHBondContact O-CB 3.49Å; V40-L44 WeakPolarHBondContact O-CG 3.12Å; V40-L44 PolarHBondContact O-N 3.48Å; L44-A47 PolarHBondContact O-N 2.85Å; L44-R48 WeakPolarHBondContact O-CB 3.38Å; L44-R48 PolarHBondContact O-N 2.99Å |
| 45 | R | 93.2 | Very high | 89.1 | Confident | 197 Ų | 197 | 105.5 Ų | 105.5 | 74% | 0.743 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 174.9 | -177.2 | 177.8 | 177 | -178.5 | -0.5 | 111.6 | S41 Y42 V43 Q49 | S41-R45 WeakPolarHBondContact O-CB 3.5Å; S41-R45 PolarHBondContact O-N 3.35Å; Y42-R45 PolarHBondContact O-N 3.32Å; V43-R45 PolarHBondContact O-N 2.79Å; R45-Q49 PolarHBondContact O-N 3.17Å |
| 46 | N | 95.2 | Very high | 89.7 | Confident | 68 Ų | 68 | 106.2 Ų | 106.2 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 175.7 | -104.9 | -65.9 | 0 | 0 | 0 | 112 | Y42 V43 R48 Q49 V50 | Y42-N46 WeakPolarHBondContact CE1-ND2 3.3Å; Y42-N46 WeakPolarHBondContact O-CB 3.3Å; Y42-N46 PolarHBondContact O-N 2.82Å; Y42-N46 PolarHBondContact OH-ND2 2.95Å; V43-N46 PolarHBondContact O-N 3.25Å; N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 3.37Å; N46-Q49 WeakPolarHBondContact O-CB 3.33Å; N46-Q49 PolarHBondContact O-N 3.03Å; N46-V50 WeakPolarHBondContact O-CG2 3.48Å; N46-V50 PolarHBondContact O-N 3.18Å |
| 47 | A | 95.8 | Very high | 90 | Very high | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V43 L44 Q49 V50 Y51 | V43-A47 WeakPolarHBondContact O-CB 3.16Å; V43-A47 PolarHBondContact O-N 3.39Å; L44-A47 PolarHBondContact O-N 2.85Å; A47-Q49 VanDerWaalsContact C-N 3.33Å; A47-Q49 PolarHBondContact O-N 2.66Å; A47-V50 PolarHBondContact O-N 3.28Å; A47-Y51 WeakPolarHBondContact O-CB 3.28Å; A47-Y51 PolarHBondContact O-N 2.9Å |
| 48 | R | 94.9 | Very high | 90.5 | Very high | 145 Ų | 145 | 101.8 Ų | 101.8 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.1 | -174.8 | -176 | -178.8 | -76.7 | 0.4 | 111.8 | L44 N46 M52 | L44-R48 WeakPolarHBondContact O-CB 3.38Å; L44-R48 PolarHBondContact O-N 2.99Å; N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 3.37Å; R48-M52 HydrophobicContact CG-CG 4.2Å; R48-M52 WeakPolarHBondContact O-CB 3.48Å; R48-M52 WeakPolarHBondContact O-CG 2.9Å; R48-M52 PolarHBondContact O-N 3.15Å |
| 49 | Q | 93.8 | Very high | 90.2 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 179.9 | -170.2 | 67 | 37.1 | 0 | 0 | 111.1 | R45 N46 A47 M52 N53 | R45-Q49 PolarHBondContact O-N 3.17Å; N46-Q49 WeakPolarHBondContact O-CB 3.33Å; N46-Q49 PolarHBondContact O-N 3.03Å; A47-Q49 VanDerWaalsContact C-N 3.33Å; A47-Q49 PolarHBondContact O-N 2.66Å; Q49-M52 PolarHBondContact O-N 3.12Å; Q49-N53 PolarHBondContact NE2-OD1 2.84Å; Q49-N53 WeakPolarHBondContact O-CB 3.1Å; Q49-N53 PolarHBondContact O-N 2.68Å; Q49-N53 PolarHBondContact O-OD1 2.8Å |
| 50 | V | 93.7 | Very high | 89.8 | Confident | 88 Ų | 88 | 103 Ų | 103 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | N46 A47 M52 N53 E54 | N46-V50 WeakPolarHBondContact O-CG2 3.48Å; N46-V50 PolarHBondContact O-N 3.18Å; A47-V50 PolarHBondContact O-N 3.28Å; V50-M52 VanDerWaalsContact C-N 3.35Å; V50-M52 PolarHBondContact O-N 2.85Å; V50-N53 PolarHBondContact O-N 3.11Å; V50-E54 WeakPolarHBondContact O-CB 3.27Å; V50-E54 PolarHBondContact O-N 3.01Å |
| 51 | Y | 94 | Very high | 89.4 | Confident | 131 Ų | 131 | 106.6 Ų | 106.6 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 179.3 | 174.4 | -100 | 0 | 0 | 0 | 112.7 | A47 K55 | A47-Y51 WeakPolarHBondContact O-CB 3.28Å; A47-Y51 PolarHBondContact O-N 2.9Å; Y51-K55 HydrophobicContact CE1-CD 4.27Å; Y51-K55 VanDerWaalsContact O-CB 3.27Å; Y51-K55 WeakPolarHBondContact O-CB 3.22Å; Y51-K55 PolarHBondContact O-N 3.49Å |
| 52 | M | 91.4 | Very high | 88.8 | Confident | 44 Ų | 44 | 108.6 Ų | 108.6 | 22% | 0.217 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -67 | -45.6 | 178.7 | -70.6 | -66.6 | 171 | 0 | 0 | 110.9 | R48 Q49 V50 E54 K55 Y56 | R48-M52 HydrophobicContact CG-CG 4.2Å; R48-M52 WeakPolarHBondContact O-CB 3.48Å; R48-M52 WeakPolarHBondContact O-CG 2.9Å; R48-M52 PolarHBondContact O-N 3.15Å; Q49-M52 PolarHBondContact O-N 3.12Å; V50-M52 VanDerWaalsContact C-N 3.35Å; V50-M52 PolarHBondContact O-N 2.85Å; M52-E54 VanDerWaalsContact C-N 3.31Å; M52-E54 PolarHBondContact O-N 3.33Å; M52-K55 PolarHBondContact O-N 2.76Å; M52-Y56 HydrophobicContact CB-CD2 4.34Å; M52-Y56 HydrophobicContact CB-CE2 4.28Å; M52-Y56 WeakPolarHBondContact O-CB 3.45Å; M52-Y56 WeakPolarHBondContact O-CD2 3.21Å; M52-Y56 PolarHBondContact O-N 3.07Å |
| 53 | N | 88.1 | Confident | 87.7 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.5 | -71.3 | 1.5 | 0 | 0 | 0 | 111.6 | Q49 V50 Y56 A57 | Q49-N53 PolarHBondContact NE2-OD1 2.84Å; Q49-N53 WeakPolarHBondContact O-CB 3.1Å; Q49-N53 PolarHBondContact O-N 2.68Å; Q49-N53 PolarHBondContact O-OD1 2.8Å; V50-N53 PolarHBondContact O-N 3.11Å; N53-Y56 PolarHBondContact O-N 3.48Å; N53-A57 WeakPolarHBondContact O-CB 3.44Å; N53-A57 PolarHBondContact O-N 2.98Å |
| 54 | E | 89.2 | Confident | 86.3 | Confident | 131 Ų | 131 | 109 Ų | 109 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 176.5 | -174 | 172.3 | -162.3 | 0 | 0 | 111.7 | V50 M52 Y56 A57 E58 | V50-E54 WeakPolarHBondContact O-CB 3.27Å; V50-E54 PolarHBondContact O-N 3.01Å; M52-E54 VanDerWaalsContact C-N 3.31Å; M52-E54 PolarHBondContact O-N 3.33Å; E54-Y56 PolarHBondContact O-N 3.03Å; E54-A57 PolarHBondContact O-N 2.99Å; E54-E58 WeakPolarHBondContact O-CB 2.96Å; E54-E58 PolarHBondContact O-N 3.48Å |
| 55 | K | 85.7 | Confident | 85 | Confident | 104 Ų | 104 | 112 Ų | 112 | 45% | 0.452 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 176 | -172.8 | 180 | 178.5 | -178.2 | 0 | 112.5 | Y51 M52 E58 I59 | Y51-K55 HydrophobicContact CE1-CD 4.27Å; Y51-K55 VanDerWaalsContact O-CB 3.27Å; Y51-K55 WeakPolarHBondContact O-CB 3.22Å; Y51-K55 PolarHBondContact O-N 3.49Å; M52-K55 PolarHBondContact O-N 2.76Å; K55-E58 PolarHBondContact O-N 2.84Å; K55-I59 HydrophobicContact CG-CD1 4.21Å; K55-I59 WeakPolarHBondContact O-CD1 3.29Å; K55-I59 VanDerWaalsContact O-CG1 3.26Å; K55-I59 WeakPolarHBondContact O-CG1 3.2Å; K55-I59 PolarHBondContact O-N 3.31Å |
| 56 | Y | 82.5 | Confident | 83.9 | Confident | 140 Ų | 140 | 109.2 Ų | 109.2 | 55% | 0.549 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 174.2 | -79.9 | -67.7 | 0 | 0 | 0 | 110.8 | M52 N53 E54 E58 I59 Y60 | M52-Y56 HydrophobicContact CB-CD2 4.34Å; M52-Y56 HydrophobicContact CB-CE2 4.28Å; M52-Y56 WeakPolarHBondContact O-CB 3.45Å; M52-Y56 WeakPolarHBondContact O-CD2 3.21Å; M52-Y56 PolarHBondContact O-N 3.07Å; N53-Y56 PolarHBondContact O-N 3.48Å; E54-Y56 PolarHBondContact O-N 3.03Å; Y56-E58 VanDerWaalsContact C-N 3.28Å; Y56-E58 PolarHBondContact O-N 3.25Å; Y56-I59 PolarHBondContact O-N 2.91Å; Y56-Y60 WeakPolarHBondContact O-CD2 3.19Å; Y56-Y60 PolarHBondContact O-N 3.24Å |
| 57 | A | 84.3 | Confident | 82.7 | Confident | 48 Ų | 48 | 111.8 Ų | 111.8 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N53 E54 Y60 R61 | N53-A57 WeakPolarHBondContact O-CB 3.44Å; N53-A57 PolarHBondContact O-N 2.98Å; E54-A57 PolarHBondContact O-N 2.99Å; A57-Y60 PolarHBondContact O-N 3.04Å; A57-R61 WeakPolarHBondContact O-CG 3.38Å; A57-R61 PolarHBondContact O-N 2.88Å |
| 58 | E | 84.8 | Confident | 81.6 | Confident | 82 Ų | 82 | 113 Ų | 113 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 174.9 | -170.9 | 59.6 | -154.6 | 0 | 0 | 111.9 | E54 K55 Y56 Y60 R61 M62 | E54-E58 WeakPolarHBondContact O-CB 2.96Å; E54-E58 PolarHBondContact O-N 3.48Å; K55-E58 PolarHBondContact O-N 2.84Å; Y56-E58 VanDerWaalsContact C-N 3.28Å; Y56-E58 PolarHBondContact O-N 3.25Å; E58-Y60 VanDerWaalsContact C-N 3.29Å; E58-Y60 PolarHBondContact O-N 2.74Å; E58-R61 PolarHBondContact O-N 3.28Å; E58-R61 IonicContact OE2-CZ 3.84Å; E58-R61 IonicContact OE2-NE 3.57Å; E58-R61 IonicContact OE2-NH2 3.5Å; E58-R61 PolarHBondContact OE2-NH2 3.47Å; E58-M62 WeakPolarHBondContact O-CB 3.5Å; E58-M62 WeakPolarHBondContact O-CG 3.45Å; E58-M62 PolarHBondContact O-N 2.76Å |
| 59 | I | 77.3 | Confident | 80.5 | Confident | 86 Ų | 86 | 109.8 Ų | 109.8 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 176.6 | -68 | 164 | 0 | 0 | 0 | 110.6 | K55 Y56 M62 Q63 | K55-I59 HydrophobicContact CG-CD1 4.21Å; K55-I59 WeakPolarHBondContact O-CD1 3.29Å; K55-I59 VanDerWaalsContact O-CG1 3.26Å; K55-I59 WeakPolarHBondContact O-CG1 3.2Å; K55-I59 PolarHBondContact O-N 3.31Å; Y56-I59 PolarHBondContact O-N 2.91Å; I59-M62 PolarHBondContact O-N 3.31Å; I59-Q63 WeakPolarHBondContact O-CB 3.44Å; I59-Q63 PolarHBondContact O-N 2.89Å |
| 60 | Y | 76.8 | Confident | 79.6 | Confident | 160 Ų | 160 | 108.4 Ų | 108.4 | 63% | 0.627 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 176.5 | -84.7 | -68.2 | 0 | 0 | 0 | 112.6 | Y56 A57 E58 Q64 | Y56-Y60 WeakPolarHBondContact O-CD2 3.19Å; Y56-Y60 PolarHBondContact O-N 3.24Å; A57-Y60 PolarHBondContact O-N 3.04Å; E58-Y60 VanDerWaalsContact C-N 3.29Å; E58-Y60 PolarHBondContact O-N 2.74Å; Y60-Q64 WeakPolarHBondContact O-CB 3.4Å; Y60-Q64 PolarHBondContact O-N 2.93Å; Y60-Q64 VanDerWaalsContact O-N 3.08Å |
| 61 | R | 83.1 | Confident | 78.7 | Confident | 161 Ų | 161 | 107.8 Ų | 107.8 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 176.5 | -71.8 | -168.1 | -59.6 | -174.3 | 0.4 | 112.2 | A57 E58 Q64 Y65 | A57-R61 WeakPolarHBondContact O-CG 3.38Å; A57-R61 PolarHBondContact O-N 2.88Å; E58-R61 PolarHBondContact O-N 3.28Å; E58-R61 IonicContact OE2-CZ 3.84Å; E58-R61 IonicContact OE2-NE 3.57Å; E58-R61 IonicContact OE2-NH2 3.5Å; E58-R61 PolarHBondContact OE2-NH2 3.47Å; R61-Q64 PolarHBondContact O-N 3.42Å; R61-Y65 PolarHBondContact O-N 2.83Å |
| 62 | M | 74.8 | Confident | 77.5 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 177.1 | -72.8 | -142.4 | 72.5 | 0 | 0 | 111.6 | E58 I59 Q64 Y65 E66 | E58-M62 WeakPolarHBondContact O-CB 3.5Å; E58-M62 WeakPolarHBondContact O-CG 3.45Å; E58-M62 PolarHBondContact O-N 2.76Å; I59-M62 PolarHBondContact O-N 3.31Å; M62-Q64 VanDerWaalsContact C-N 3.32Å; M62-Q64 PolarHBondContact O-N 3.29Å; M62-Y65 PolarHBondContact O-N 3.41Å; M62-E66 WeakPolarHBondContact O-CB 3.35Å; M62-E66 PolarHBondContact O-N 2.94Å |
| 63 | Q | 70.9 | Confident | 76.5 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 178 | -167.4 | 165.2 | 29.5 | 0 | 0 | 111.9 | I59 E66 E67 | I59-Q63 WeakPolarHBondContact O-CB 3.44Å; I59-Q63 PolarHBondContact O-N 2.89Å; Q63-E66 PolarHBondContact O-N 3.28Å; Q63-E67 PolarHBondContact O-N 3.03Å |
| 64 | Q | 67.5 | Low | 75.6 | Confident | 133 Ų | 133 | 108.8 Ų | 108.8 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.5 | -35.7 | 175.8 | -157.6 | 178 | 2.9 | 0 | 0 | 112.2 | Y60 R61 M62 V68 | Y60-Q64 WeakPolarHBondContact O-CB 3.4Å; Y60-Q64 PolarHBondContact O-N 2.93Å; Y60-Q64 VanDerWaalsContact O-N 3.08Å; R61-Q64 PolarHBondContact O-N 3.42Å; M62-Q64 VanDerWaalsContact C-N 3.32Å; M62-Q64 PolarHBondContact O-N 3.29Å; Q64-V68 WeakPolarHBondContact O-CB 3.49Å; Q64-V68 WeakPolarHBondContact O-CG2 3.38Å; Q64-V68 PolarHBondContact O-N 3.06Å; Q64-V68 VanDerWaalsContact O-N 3.08Å |
| 65 | Y | 68.1 | Low | 74.6 | Confident | 167 Ų | 167 | 107.8 Ų | 107.8 | 66% | 0.655 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.3 | -37 | 175.4 | -156 | -89.8 | 0 | 0 | 0 | 111.8 | R61 M62 V68 M69 | R61-Y65 PolarHBondContact O-N 2.83Å; M62-Y65 PolarHBondContact O-N 3.41Å; Y65-V68 PolarHBondContact O-N 2.88Å; Y65-M69 HydrophobicContact CD1-CG 3.81Å; Y65-M69 HydrophobicContact CE1-CG 3.73Å; Y65-M69 HydrophobicContact CE1-SD 4.21Å; Y65-M69 WeakPolarHBondContact O-CB 3.43Å; Y65-M69 VanDerWaalsContact O-CG 3.28Å; Y65-M69 WeakPolarHBondContact O-CG 3.24Å; Y65-M69 PolarHBondContact O-N 3.49Å |
| 66 | E | 70.9 | Confident | 73.4 | Confident | 138 Ų | 138 | 109.3 Ų | 109.3 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.9 | -44.8 | 176.4 | -167.1 | 150.5 | -150.2 | 0 | 0 | 111.4 | M62 Q63 V68 M69 T70 | M62-E66 WeakPolarHBondContact O-CB 3.35Å; M62-E66 PolarHBondContact O-N 2.94Å; Q63-E66 PolarHBondContact O-N 3.28Å; E66-V68 PolarHBondContact O-N 3.08Å; E66-M69 PolarHBondContact O-N 2.88Å; E66-T70 WeakPolarHBondContact O-CG2 3.46Å; E66-T70 PolarHBondContact O-N 3.49Å; E66-T70 PolarHBondContact O-OG1 3.49Å; E66-T70 VanDerWaalsContact O-OG1 3.14Å |
| 67 | E | 69.7 | Low | 72.3 | Confident | 123 Ų | 123 | 110.8 Ų | 110.8 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 172 | -83 | -178.9 | 174.9 | 0 | 0 | 112.7 | Q63 T70 V71 | Q63-E67 PolarHBondContact O-N 3.03Å; E67-T70 WeakPolarHBondContact CA-OG1 3.08Å; E67-T70 PolarHBondContact O-N 3.41Å; E67-T70 PolarHBondContact O-OG1 2.85Å; E67-V71 VanDerWaalsContact O-CG2 3.29Å; E67-V71 WeakPolarHBondContact O-CG2 3.41Å; E67-V71 PolarHBondContact O-N 3.19Å; E67-V71 VanDerWaalsContact O-N 3.11Å |
| 68 | V | 72.8 | Confident | 71 | Confident | 82 Ų | 82 | 115.2 Ų | 115.2 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.2 | -39.5 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | Q64 Y65 E66 V71 C72 | Q64-V68 WeakPolarHBondContact O-CB 3.49Å; Q64-V68 WeakPolarHBondContact O-CG2 3.38Å; Q64-V68 PolarHBondContact O-N 3.06Å; Q64-V68 VanDerWaalsContact O-N 3.08Å; Y65-V68 PolarHBondContact O-N 2.88Å; E66-V68 PolarHBondContact O-N 3.08Å; V68-V71 PolarHBondContact O-N 3.17Å; V68-C72 PolarHBondContact O-N 3.08Å; V68-C72 PolarHBondContact O-SG 3.05Å |
| 69 | M | 72.1 | Confident | 69.5 | Low | 78 Ų | 78 | 116.6 Ų | 116.6 | 38% | 0.384 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.4 | -37.8 | 177.2 | -78.8 | -57.7 | -49.4 | 0 | 0 | 112.6 | Y65 E66 C72 N73 | Y65-M69 HydrophobicContact CD1-CG 3.81Å; Y65-M69 HydrophobicContact CE1-CG 3.73Å; Y65-M69 HydrophobicContact CE1-SD 4.21Å; Y65-M69 WeakPolarHBondContact O-CB 3.43Å; Y65-M69 VanDerWaalsContact O-CG 3.28Å; Y65-M69 WeakPolarHBondContact O-CG 3.24Å; Y65-M69 PolarHBondContact O-N 3.49Å; E66-M69 PolarHBondContact O-N 2.88Å; M69-C72 PolarHBondContact O-N 2.95Å; M69-N73 WeakPolarHBondContact O-CB 3.46Å; M69-N73 VanDerWaalsContact O-CG 3.28Å; M69-N73 PolarHBondContact O-N 3.36Å; M69-N73 PolarHBondContact O-ND2 3.46Å |
| 70 | T | 74.6 | Confident | 68.5 | Low | 65 Ų | 65 | 117.9 Ų | 117.9 | 40% | 0.399 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64 | -43.3 | 174.4 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | E66 E67 C72 N73 E74 | E66-T70 WeakPolarHBondContact O-CG2 3.46Å; E66-T70 PolarHBondContact O-N 3.49Å; E66-T70 PolarHBondContact O-OG1 3.49Å; E66-T70 VanDerWaalsContact O-OG1 3.14Å; E67-T70 WeakPolarHBondContact CA-OG1 3.08Å; E67-T70 PolarHBondContact O-N 3.41Å; E67-T70 PolarHBondContact O-OG1 2.85Å; T70-C72 PolarHBondContact O-N 3.4Å; T70-N73 PolarHBondContact O-N 2.95Å; T70-E74 WeakPolarHBondContact O-CG 3.41Å; T70-E74 PolarHBondContact O-N 3.15Å |
| 71 | V | 74.2 | Confident | 67.3 | Low | 75 Ų | 75 | 117.5 Ų | 117.5 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.6 | -40.9 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | E67 V68 E74 I75 | E67-V71 VanDerWaalsContact O-CG2 3.29Å; E67-V71 WeakPolarHBondContact O-CG2 3.41Å; E67-V71 PolarHBondContact O-N 3.19Å; E67-V71 VanDerWaalsContact O-N 3.11Å; V68-V71 PolarHBondContact O-N 3.17Å; V71-E74 PolarHBondContact O-N 2.98Å; V71-I75 HydrophobicContact CG1-CD1 3.83Å; V71-I75 WeakPolarHBondContact O-CD1 3.35Å; V71-I75 WeakPolarHBondContact O-CG1 3.39Å; V71-I75 PolarHBondContact O-N 3.46Å |
| 72 | C | 68.4 | Low | 65.5 | Low | 66 Ų | 66 | 117.5 Ų | 117.5 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.1 | -37.8 | 177.1 | -67 | 0 | 0 | 0 | 0 | 112.5 | V68 M69 T70 I75 Q76 | V68-C72 PolarHBondContact O-N 3.08Å; V68-C72 PolarHBondContact O-SG 3.05Å; M69-C72 PolarHBondContact O-N 2.95Å; T70-C72 PolarHBondContact O-N 3.4Å; C72-I75 PolarHBondContact O-N 3.45Å; C72-Q76 PolarHBondContact O-N 2.97Å; C72-Q76 VanDerWaalsContact O-N 3.14Å |
| 73 | N | 70.3 | Confident | 64.1 | Low | 98 Ų | 98 | 119.4 Ų | 119.4 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.7 | -42.5 | 176.4 | -73.7 | -28.1 | 0 | 0 | 0 | 111.8 | M69 T70 I75 Q76 E77 | M69-N73 WeakPolarHBondContact O-CB 3.46Å; M69-N73 VanDerWaalsContact O-CG 3.28Å; M69-N73 PolarHBondContact O-N 3.36Å; M69-N73 PolarHBondContact O-ND2 3.46Å; T70-N73 PolarHBondContact O-N 2.95Å; N73-I75 VanDerWaalsContact C-N 3.31Å; N73-I75 PolarHBondContact O-N 3.41Å; N73-Q76 PolarHBondContact O-N 3.45Å; N73-E77 PolarHBondContact O-N 3.47Å |
| 74 | E | 70.8 | Confident | 62.9 | Low | 122 Ų | 122 | 118.6 Ų | 118.6 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.6 | -38.3 | 175.4 | -73.9 | 175.5 | -165 | 0 | 0 | 112 | T70 V71 E77 L78 | T70-E74 WeakPolarHBondContact O-CG 3.41Å; T70-E74 PolarHBondContact O-N 3.15Å; V71-E74 PolarHBondContact O-N 2.98Å; E74-E77 PolarHBondContact O-N 3.01Å; E74-L78 WeakPolarHBondContact O-CG 3.38Å; E74-L78 PolarHBondContact O-N 3.38Å |
| 75 | I | 67.6 | Low | 61.7 | Low | 111 Ų | 111 | 120 Ų | 120 | 57% | 0.569 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.2 | -36.3 | 175.9 | -67 | 164 | 0 | 0 | 0 | 111.7 | V71 C72 N73 L78 | V71-I75 HydrophobicContact CG1-CD1 3.83Å; V71-I75 WeakPolarHBondContact O-CD1 3.35Å; V71-I75 WeakPolarHBondContact O-CG1 3.39Å; V71-I75 PolarHBondContact O-N 3.46Å; C72-I75 PolarHBondContact O-N 3.45Å; N73-I75 VanDerWaalsContact C-N 3.31Å; N73-I75 PolarHBondContact O-N 3.41Å; I75-L78 PolarHBondContact O-N 3.38Å |
| 76 | Q | 59.3 | Low | 60.4 | Low | 136 Ų | 136 | 119.6 Ų | 119.6 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.8 | -33.1 | 178.5 | -173.8 | 63.8 | 44.1 | 0 | 0 | 112.4 | C72 N73 L78 N79 | C72-Q76 PolarHBondContact O-N 2.97Å; C72-Q76 VanDerWaalsContact O-N 3.14Å; N73-Q76 PolarHBondContact O-N 3.45Å; Q76-L78 VanDerWaalsContact C-N 3.3Å; Q76-N79 PolarHBondContact O-N 3.17Å |
| 77 | E | 59.4 | Low | 58.7 | Low | 170 Ų | 170 | 117.9 Ų | 117.9 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.3 | -22.9 | 178.7 | -155.8 | 169.4 | -158.6 | 0 | 0 | 112.5 | N73 E74 N79 | N73-E77 PolarHBondContact O-N 3.47Å; E74-E77 PolarHBondContact O-N 3.01Å; E77-N79 VanDerWaalsContact C-N 3.3Å; E77-N79 PolarHBondContact O-N 2.87Å |
| 78 | L | 57.3 | Low | 57.2 | Low | 141 Ų | 141 | 119.6 Ų | 119.6 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 14.1 | 175.7 | -66.8 | 175.8 | 0 | 0 | 0 | 114.4 | E74 I75 Q76 P80 | E74-L78 WeakPolarHBondContact O-CG 3.38Å; E74-L78 PolarHBondContact O-N 3.38Å; I75-L78 PolarHBondContact O-N 3.38Å; Q76-L78 VanDerWaalsContact C-N 3.3Å; L78-P80 WeakPolarHBondContact O-CD 3.2Å |
| 79 | N | 53.1 | Low | 55.6 | Low | 111 Ų | 111 | 124.9 Ų | 124.9 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | trans | -100.6 | 90.8 | 174.7 | -129 | -17.5 | 0 | 0 | 0 | 109.8 | Q76 E77 L81 | Q76-N79 PolarHBondContact O-N 3.17Å; E77-N79 VanDerWaalsContact C-N 3.3Å; E77-N79 PolarHBondContact O-N 2.87Å; N79-L81 PolarHBondContact O-N 3.38Å; N79-L81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | P | 57 | Low | 53.9 | Low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | trans | -78.4 | 94.8 | -178.8 | 31 | -34.7 | 0 | 0 | 0 | 110.2 | L78 | L78-P80 WeakPolarHBondContact O-CD 3.2Š| ||
| 81 | L | 51.7 | Low | 52.1 | Low | 152 Ų | 152 | 132.4 Ų | 132.4 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | trans | -136.9 | 87.9 | 162.8 | -79.6 | 175.9 | 0 | 0 | 0 | 109.6 | N79 | N79-L81 PolarHBondContact O-N 3.38Å; N79-L81 VanDerWaalsContact O-N 3.1Å | ||
| 82 | D | 44.5 | Very low | 50.1 | Low | 161 Ų | 161 | 132.4 Ų | 132.4 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | -163 | 75.5 | 138.6 | -98.9 | -19.6 | 0 | 0 | 0 | 108.9 | A84 | D82-A84 VanDerWaalsContact C-N 3.29Å; D82-A84 PolarHBondContact O-N 3.47Å | ||
| 83 | L | 45.9 | Very low | 48.4 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -86.3 | 81.7 | 147.6 | -83.4 | 168.5 | 0 | 0 | 0 | 106.4 | E85 | L83-E85 HydrophobicContact CD2-CG 4.5Å; L83-E85 PolarHBondContact O-N 3.27Å; L83-E85 VanDerWaalsContact O-N 3.14Å | ||
| 84 | A | 45.1 | Very low | 46.6 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -75.7 | 83.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | D82 D86 | D82-A84 VanDerWaalsContact C-N 3.29Å; D82-A84 PolarHBondContact O-N 3.47Å; A84-D86 PolarHBondContact O-N 2.91Å; A84-D86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | E | 44 | Very low | 45 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -65.1 | 108 | 163.8 | -79.5 | -162 | 143.7 | 0 | 0 | 107.7 | L83 C87 | L83-E85 HydrophobicContact CD2-CG 4.5Å; L83-E85 PolarHBondContact O-N 3.27Å; L83-E85 VanDerWaalsContact O-N 3.14Å; E85-C87 PolarHBondContact O-N 2.9Å | ||
| 86 | D | 40.1 | Very low | 43.4 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -49.5 | 120.6 | 151.9 | -77.1 | -41.8 | 0 | 0 | 0 | 108.8 | A84 | A84-D86 PolarHBondContact O-N 2.91Å; A84-D86 VanDerWaalsContact O-N 3.13Å | ||
| 87 | C | 35 | Very low | 42.3 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -151.2 | 118.6 | 160.7 | -114.6 | 0 | 0 | 0 | 0 | 111.4 | E85 | E85-C87 PolarHBondContact O-N 2.9Š| ||
| 88 | E | 38 | Very low | 41.2 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | 93.1 | 85.8 | 149.2 | -46.4 | -48.6 | 110.1 | 0 | 0 | 120.6 | ||||
| 89 | E | 39.3 | Very low | 40.1 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -94.2 | 98.7 | 134 | -94.2 | -165.8 | 159.4 | 0 | 0 | 109.7 | ||||
| 90 | Q | 36.3 | Very low | 39.2 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -161.8 | 105.6 | 142.2 | -148.9 | 118.9 | 80.6 | 0 | 0 | 112.9 | ||||
| 91 | S | 36.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | 13.2 | 118.4 | 142 | -178.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 92 | G | 32.2 | Very low | 37.5 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | -174.1 | 73.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 93 | D | 32.3 | Very low | 38 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 48.8 | 125.7 | 138.6 | -144.1 | 26.8 | 0 | 0 | 0 | 122.9 | ||||
| 94 | C | 33 | Very low | 37.5 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 70.3 | 114.7 | 142.3 | -82.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 95 | C | 37.8 | Very low | 37.2 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 86% | 0.858 | 79% | 0.791 | S | S | * | * | 74.6 | 125.3 | 129.5 | -59 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 96 | G | 34.8 | Very low | 36.9 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -92.8 | -170.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 97 | N | 35.8 | Very low | 36.5 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -171.2 | 147.6 | 139.3 | -144.4 | 42.5 | 0 | 0 | 0 | 111.4 | ||||
| 98 | D | 36.3 | Very low | 36.4 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -47 | 149.4 | 160.7 | -96.8 | -53.6 | 0 | 0 | 0 | 114 | ||||
| 99 | G | 32.7 | Very low | 36.2 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 167.8 | 80.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 100 | V | 35.8 | Very low | 35.9 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 17.5 | 117.5 | 136.8 | -179.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 101 | S | 33.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 165.1 | 112.6 | 116.9 | 39.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 102 | E | 37.7 | Very low | 36.8 | Very low | 176 Ų | 176 | 119 Ų | 119 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -62.6 | -179.6 | 152.7 | -92.7 | -93.1 | 101.2 | 0 | 0 | 111.2 | ||||
| 103 | P | 56.2 | Low | 36.8 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | cis | -138.2 | 169.6 | -21 | 29.5 | -9.8 | 0 | 0 | 0 | 114.2 | ||||
| 104 | A | 34.3 | Very low | 36.9 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 173.5 | 132.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 105 | S | 40 | Very low | 36.9 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -162.8 | 130 | 15.4 | 166.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 106 | L | 38.1 | Very low | 36.7 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | 13.9 | 138.7 | 135 | -67.4 | 158 | 0 | 0 | 0 | 116.4 | ||||
| 107 | C | 31.2 | Very low | 36.4 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | cis | 178.9 | 147.9 | -2.6 | -158.8 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 108 | C | 32.1 | Very low | 36.1 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | 57.8 | 140.8 | 124.7 | -46.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 109 | A | 34.7 | Very low | 35.9 | Very low | 76 Ų | 76 | 119.5 Ų | 119.5 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | cis | 176.5 | 143.1 | -9.3 | 0 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 110 | L | 33.6 | Very low | 35.8 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 47.3 | 111.6 | 136.1 | -56.8 | 167.1 | 0 | 0 | 0 | 119.3 | ||||
| 111 | L | 35.9 | Very low | 35.6 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 32.7 | 169.2 | 118.5 | -66.5 | 167.1 | 0 | 0 | 0 | 120 | |||||
| 112 | P | 55.4 | Low | 35.4 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | cis | -132.5 | -160.1 | -40.8 | 35.2 | -15.6 | 0 | 0 | 0 | 110.8 | ||||
| 113 | V | 32.5 | Very low | 35 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | 135 | 131.2 | 145.9 | 178.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 114 | S | 33.5 | Very low | 33.9 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -59.5 | 150.6 | 176 | 46.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 115 | H | 32.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | 176.6 | 130.6 | 117.7 | -117.6 | -114.8 | 0 | 0 | 0 | 114.9 | |||||
| 116 | L | 33.4 | Very low | 33.5 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | trans | 52.7 | 137.7 | 136.4 | -68.3 | -175.7 | 0 | 0 | 0 | 126.3 | ||||
| 117 | T | 29.7 | Very low | 33.8 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 91.3 | 107.5 | 134.5 | 41 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 118 | A | 29.7 | Very low | 34 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | 90.2 | 136.2 | 114.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 119 | V | 30.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 125 Ų | 125 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | 102.3 | 103.1 | 148.6 | -165.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 120 | Q | 31.9 | Very low | 33.7 | Very low | 182 Ų | 182 | 127.5 Ų | 127.5 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | 42.8 | 129.6 | 132.8 | -60.8 | -173.5 | 16.6 | 0 | 0 | 125.9 | ||||
| 121 | S | 30.3 | Very low | 33.7 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | 79.5 | 121 | 126.6 | -158.9 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 122 | A | 31.2 | Very low | 33.7 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | 171.6 | 110.2 | 128.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 123 | H | 28.6 | Very low | 33.2 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 56.5 | 107.5 | 99.1 | -170.3 | -61.5 | 0 | 0 | 0 | 116.3 | |||||
| 124 | I | 32.9 | Very low | 33 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -151.5 | 140 | 140.6 | -66.2 | -159.3 | 0 | 0 | 0 | 110.8 | ||||
| 125 | Q | 32.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -80.1 | 167.2 | -174.6 | -74.1 | 162.1 | -46.7 | 0 | 0 | 116 | ||||
| 126 | A | 33.7 | Very low | 32.8 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 172.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 127 | P | 43.7 | Very low | 32.6 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -142.8 | 147.3 | 101.3 | 29.1 | -9.4 | 0 | 0 | 0 | 113.8 | |||||
| 128 | S | 35.8 | Very low | 32.6 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | 53.9 | 132.9 | 78.4 | -164.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 129 | A | 30.7 | Very low | 32.7 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | cis | -157.3 | 165.8 | 11.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 130 | C | 29.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | 172 | 147.5 | 87 | -85.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 131 | S | 34.8 | Very low | 32.5 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -96.5 | 152.4 | 174.3 | -38.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 132 | A | 34.7 | Very low | 32.3 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 159.4 | 160.3 | 133.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 133 | P | 45.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -110.9 | 168.4 | -147.9 | 40.8 | -30.9 | 0 | 0 | 0 | 114.5 | ||||
| 134 | L | 28.8 | Very low | 32.4 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -143.1 | 122.9 | 162.2 | -82.5 | 174.1 | 0 | 0 | 0 | 112.4 | ||||
| 135 | S | 31.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -81.8 | 142.5 | 159.8 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 136 | L | 28.8 | Very low | 32.4 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -156.5 | 135.2 | 150.9 | -117.1 | 164.9 | 0 | 0 | 0 | 110.5 | ||||
| 137 | Q | 31 | Very low | 32.8 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -108.4 | 135.8 | -175.2 | 176.1 | 178.5 | 47.3 | 0 | 0 | 107.9 | ||||
| 138 | S | 29.2 | Very low | 32.3 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -164.5 | 127.2 | 146.8 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 139 | D | 31.4 | Very low | 32.1 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -63.3 | 149.1 | -178.7 | -63.7 | -79.8 | 0 | 0 | 0 | 115.8 | ||||
| 140 | D | 30.2 | Very low | 32.9 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | -160.2 | 107.4 | 126.6 | -125.3 | -40.1 | 0 | 0 | 0 | 112.3 | |||||
| 141 | V | 28.6 | Very low | 33.2 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | 24.2 | 110 | 139.6 | 177.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 142 | C | 26.2 | Very low | 33.2 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 72% | 0.716 | 79% | 0.788 | S | S | * | * | 163.1 | 136.2 | 90.4 | -145.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 143 | K | 30.7 | Very low | 33.1 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | 99 | 93.4 | 155.8 | -56 | -147.7 | 178.6 | -166.9 | 0 | 120.1 | ||||
| 144 | E | 31.1 | Very low | 32.9 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | 70 | 96.1 | 110.5 | -143.6 | 168.1 | -166.8 | 0 | 0 | 117.4 | |||||
| 145 | T | 31.6 | Very low | 33.2 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 158.9 | 110.3 | 111.9 | -67 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 146 | E | 32.3 | Very low | 33.6 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -127.6 | 169 | 163.7 | -88.4 | -71.5 | 150.2 | 0 | 0 | 106.5 | ||||
| 147 | P | 42.3 | Very low | 33.6 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 62% | 0.617 | 77% | 0.774 | S | S | * | * | cis | -136 | 168 | -5.3 | 20.7 | 4.6 | 0 | 0 | 0 | 115.5 | ||||
| 148 | S | 33.3 | Very low | 33.8 | Very low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | 6.5 | 123.7 | 147.4 | 67.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 149 | F | 32.3 | Very low | 34.3 | Very low | 198 Ų | 198 | 144 Ų | 144 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -141.4 | 108.4 | 134.8 | -83.2 | -75.6 | 0 | 0 | 0 | 110.1 | R151 | F149-R151 PolarHBondContact O-N 2.95Š| ||
| 150 | Y | 47.1 | Very low | 34.4 | Very low | 231 Ų | 231 | 143.7 Ų | 143.7 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -57.3 | 100.9 | 158.1 | -177.5 | -95.5 | 0 | 0 | 0 | 108.2 | ||||
| 151 | R | 36.3 | Very low | 34.5 | Very low | 221 Ų | 221 | 141.8 Ų | 141.8 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -110.3 | 105.4 | 177.1 | -176 | 175.2 | -85.3 | -122.5 | 1 | 109.7 | F149 C153 | F149-R151 PolarHBondContact O-N 2.95Å; R151-C153 PolarHBondContact O-N 3.49Å | ||
| 152 | S | 33.3 | Very low | 34.4 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | -49.4 | 118.8 | 164.5 | 178 | 0 | 0 | 0 | 0 | 111.5 | C154 | S152-C154 PolarHBondContact O-N 2.92Å; S152-C154 VanDerWaalsContact O-N 3.15Å | ||
| 153 | C | 32.8 | Very low | 34.8 | Very low | 127 Ų | 127 | 149 Ų | 149 | 86% | 0.858 | 79% | 0.786 | S | S | * | * | trans | -85 | 76.5 | 174.2 | -70.2 | 0 | 0 | 0 | 0 | 111.3 | R151 | R151-C153 PolarHBondContact O-N 3.49Š| ||
| 154 | C | 41.7 | Very low | 34.9 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -132.5 | 81.9 | 160.6 | -67.9 | 0 | 0 | 0 | 0 | 108.7 | S152 | S152-C154 PolarHBondContact O-N 2.92Å; S152-C154 VanDerWaalsContact O-N 3.15Å | ||
| 155 | A | 35.8 | Very low | 34.9 | Very low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 174.5 | 97.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 156 | E | 39.9 | Very low | 34.8 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | 95.8 | 113.8 | 93 | -164.9 | 102.6 | -138 | 0 | 0 | 111.3 | |||||
| 157 | A | 28 | Very low | 34.7 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -173.7 | 110.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 158 | Y | 35.9 | Very low | 34.4 | Very low | 211 Ų | 211 | 145.8 Ų | 145.8 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -50.7 | 137.9 | 164.4 | -90.2 | -104.7 | 0 | 0 | 0 | 111.1 | ||||
| 159 | P | 39.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -98.5 | 117.2 | 146.8 | 17.6 | -1 | 0 | 0 | 0 | 109.3 | S161 | P159-S161 PolarHBondContact O-N 3.29Š| ||
| 160 | V | 33.7 | Very low | 35 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -27.5 | 117.6 | 154.5 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | N162 | V160-N162 PolarHBondContact O-N 3.38Š| ||
| 161 | S | 31.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -73 | 94.9 | 171.4 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | P159 | P159-S161 PolarHBondContact O-N 3.29Š| ||
| 162 | N | 28.4 | Very low | 35.1 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -80 | 116.9 | 163.1 | -159.3 | 29.4 | 0 | 0 | 0 | 107.9 | V160 | V160-N162 PolarHBondContact O-N 3.38Š| ||
| 163 | W | 34.1 | Very low | 35.8 | Very low | 231 Ų | 231 | 143.9 Ų | 143.9 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -56 | 141.5 | 170 | -96 | -56.3 | 0 | 0 | 0 | 110.5 | ||||
| 164 | D | 33.3 | Very low | 36.9 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | -164.3 | 120.4 | 129.3 | -92.7 | -30.6 | 0 | 0 | 0 | 114 | |||||
| 165 | F | 29.3 | Very low | 37.7 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | 55.5 | 115.7 | 143.5 | -92 | -100.2 | 0 | 0 | 0 | 125.3 | ||||
| 166 | S | 30.8 | Very low | 39.6 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | 69.8 | 127.8 | 127.9 | -160.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 167 | T | 29.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | -174.6 | 141.3 | 59.8 | -47.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 168 | V | 35.6 | Very low | 44.2 | Very low | 134 Ų | 134 | 137 Ų | 137 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | 61.4 | 98.7 | 156.7 | 175.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 169 | N | 33 | Very low | 46.7 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | -162.6 | 142.1 | 123 | -151.3 | -3.1 | 0 | 0 | 0 | 110.9 | N171 | N169-N171 PolarHBondContact O-N 3.38Å; N169-N171 VanDerWaalsContact O-N 3.17Å | |||
| 170 | N | 46 | Very low | 49.2 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | trans | -54.2 | 114.7 | 176 | -67.8 | -59.7 | 0 | 0 | 0 | 111.1 | ||||
| 171 | N | 37 | Very low | 51.8 | Low | 149 Ų | 149 | 126.2 Ų | 126.2 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -147 | 109.9 | 158.1 | -109.7 | -36 | 0 | 0 | 0 | 109.4 | N169 H173 | N169-N171 PolarHBondContact O-N 3.38Å; N169-N171 VanDerWaalsContact O-N 3.17Å; N171-H173 VanDerWaalsContact C-N 3.29Å; N171-H173 PolarHBondContact O-N 3.48Å | ||
| 172 | L | 48.1 | Very low | 54.5 | Low | 178 Ų | 178 | 127 Ų | 127 | 93% | 0.932 | 67% | 0.672 | S | S | * | * | trans | -63.7 | 90 | 173.4 | -157 | 75.9 | 0 | 0 | 0 | 107.5 | C174 | L172-C174 PolarHBondContact O-N 3.33Š| ||
| 173 | H | 48.9 | Very low | 57.3 | Low | 171 Ų | 171 | 127.1 Ų | 127.1 | 79% | 0.792 | 67% | 0.672 | S | S | * | * | trans | -70.1 | 104.5 | -176.7 | -141.1 | -71.5 | 0 | 0 | 0 | 108.4 | N171 N175 | N171-H173 VanDerWaalsContact C-N 3.29Å; N171-H173 PolarHBondContact O-N 3.48Å; H173-N175 PolarHBondContact O-N 2.77Å; H173-N175 VanDerWaalsContact O-N 3.08Å | ||
| 174 | C | 56.2 | Low | 59.8 | Low | 101 Ų | 101 | 120 Ų | 120 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | trans | -69.6 | 104.6 | 174.5 | 178 | 0 | 0 | 0 | 0 | 108.9 | L172 K176 | L172-C174 PolarHBondContact O-N 3.33Å; C174-K176 VanDerWaalsContact C-N 3.27Å; C174-K176 PolarHBondContact O-N 3.38Å | ||
| 175 | N | 58.2 | Low | 62.3 | Low | 67 Ų | 67 | 120.3 Ų | 120.3 | 36% | 0.358 | 65% | 0.651 | S | S | . | * | trans | -88.2 | 14.2 | 177.9 | 59.5 | -43.7 | 0 | 0 | 0 | 113.2 | H173 E191 N192 | H173-N175 PolarHBondContact O-N 2.77Å; H173-N175 VanDerWaalsContact O-N 3.08Å; N175-E191 WeakPolarHBondContact ND2-CG 3.49Å; N175-E191 PolarHBondContact ND2-OE1 3.4Å; N175-E191 WeakPolarHBondContact O-CA 3.36Å; N175-E191 PolarHBondContact OD1-OE1 3.42Å; N175-N192 PolarHBondContact O-N 2.91Å | ||
| 176 | K | 74.1 | Confident | 65.2 | Low | 116 Ų | 116 | 115.1 Ų | 115.1 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.4 | -178.8 | -69.3 | 170.2 | 179.2 | 163.9 | 0 | 111 | C174 E191 | C174-K176 VanDerWaalsContact C-N 3.27Å; C174-K176 PolarHBondContact O-N 3.38Å; K176-E191 VanDerWaalsContact CE-CD 3.48Å; K176-E191 WeakPolarHBondContact CE-OE2 3.37Å; K176-E191 HydrophobicContact CG-CB 4.17Å; K176-E191 HydrophobicContact CG-CG 3.96Å; K176-E191 IonicContact NZ-OE2 3.88Å |
| 177 | T | 81.1 | Confident | 67.9 | Low | 76 Ų | 76 | 114.9 Ų | 114.9 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.3 | 173.9 | -54.2 | 0 | 0 | 0 | 0 | 108.9 | V179 T189 V190 | T177-V179 HydrophobicContact CG2-CG2 4.46Å; T177-T189 CarbonylContact O-C 3.59Å; T177-V190 PolarHBondContact N-O 3.41Å; T177-V190 PolarHBondContact O-N 3.41Å |
| 178 | T | 84.8 | Confident | 70.6 | Confident | 93 Ų | 93 | 113.3 Ų | 113.3 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | 124.5 | 175.9 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | T188 T189 | T178-T188 CarbonylContact C-O 3.59Å; T178-T188 WeakPolarHBondContact CA-O 3.27Å; T178-T189 HydrophobicContact CG2-CG2 3.42Å; T178-T189 VanDerWaalsContact CG2-CG2 3.42Å |
| 179 | V | 88.1 | Confident | 72.9 | Confident | 82 Ų | 82 | 111.4 Ų | 111.4 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.7 | 178 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | T177 V187 T188 V190 | T177-V179 HydrophobicContact CG2-CG2 4.46Å; V179-V187 WeakPolarHBondContact O-CA 3.49Å; V179-T188 PolarHBondContact N-O 3.26Å; V179-T188 PolarHBondContact O-N 2.84Å; V179-V190 HydrophobicContact CG2-CG2 4.47Å |
| 180 | L | 92.7 | Very high | 75.1 | Confident | 91 Ų | 91 | 108 Ų | 108 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.2 | 173 | 176 | 68.6 | 0 | 0 | 0 | 108.8 | V187 | L180-V187 HydrophobicContact CB-CG2 4.48Å; L180-V187 HydrophobicContact CD1-CG2 3.67Å |
| 181 | D | 88.5 | Confident | 76.7 | Confident | 68 Ų | 68 | 105.8 Ų | 105.8 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | trans | -79.9 | 122.1 | 167.7 | 179.6 | 0.7 | 0 | 0 | 0 | 109.2 | D183 T184 H185 V186 | D181-D183 VanDerWaalsContact C-N 3.33Å; D181-D183 PolarHBondContact OD1-N 3.33Å; D181-T184 WeakPolarHBondContact CB-OG1 3.45Å; D181-T184 WeakPolarHBondContact OD2-CB 3.33Å; D181-T184 VanDerWaalsContact OD2-CG2 3.28Å; D181-T184 WeakPolarHBondContact OD2-CG2 3.37Å; D181-T184 PolarHBondContact OD2-OG1 3.23Å; D181-H185 WeakPolarHBondContact O-CA 3.01Å; D181-H185 PolarHBondContact O-N 3.02Å; D181-V186 PolarHBondContact N-O 3.42Å | ||
| 182 | L | 87 | Confident | 78 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -25.1 | -176.8 | -87.9 | 73.4 | 0 | 0 | 0 | 112.6 | H185 | L182-H185 PolarHBondContact O-CE1 2.89Å; L182-H185 PolarHBondContact O-ND1 2.66Å |
| 183 | D | 86.4 | Confident | 78.4 | Confident | 149 Ų | 149 | 98.5 Ų | 98.5 | 80% | 0.797 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -39.7 | -176.8 | -66.2 | -30.2 | 0 | 0 | 0 | 110.4 | D181 | D181-D183 VanDerWaalsContact C-N 3.33Å; D181-D183 PolarHBondContact OD1-N 3.33Å |
| 184 | T | 86.6 | Confident | 78.2 | Confident | 81 Ų | 81 | 101.4 Ų | 101.4 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.4 | -11.8 | -179.3 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | D181 V186 | D181-T184 WeakPolarHBondContact CB-OG1 3.45Å; D181-T184 WeakPolarHBondContact OD2-CB 3.33Å; D181-T184 VanDerWaalsContact OD2-CG2 3.28Å; D181-T184 WeakPolarHBondContact OD2-CG2 3.37Å; D181-T184 PolarHBondContact OD2-OG1 3.23Å; T184-V186 PolarHBondContact O-N 3.24Å |
| 185 | H | 85.9 | Confident | 77.7 | Confident | 151 Ų | 151 | 104.5 Ų | 104.5 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | trans | 56.6 | 21.9 | -173.3 | -61.9 | 69.2 | 0 | 0 | 0 | 113.6 | D181 L182 | D181-H185 WeakPolarHBondContact O-CA 3.01Å; D181-H185 PolarHBondContact O-N 3.02Å; L182-H185 PolarHBondContact O-CE1 2.89Å; L182-H185 PolarHBondContact O-ND1 2.66Å | ||
| 186 | V | 90.7 | Very high | 76.9 | Confident | 77 Ų | 77 | 108.9 Ų | 108.9 | 47% | 0.467 | 59% | 0.585 | S | S | . | * | trans | -92.7 | 134.7 | 179.5 | 178.8 | 0 | 0 | 0 | 0 | 110 | D181 T184 | D181-V186 PolarHBondContact N-O 3.42Å; T184-V186 PolarHBondContact O-N 3.24Å | ||
| 187 | V | 88.2 | Confident | 75.5 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95 | 120 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 109 | V179 L180 | V179-V187 WeakPolarHBondContact O-CA 3.49Å; L180-V187 HydrophobicContact CB-CG2 4.48Å; L180-V187 HydrophobicContact CD1-CG2 3.67Å |
| 188 | T | 85.2 | Confident | 73.4 | Confident | 81 Ų | 81 | 114.1 Ų | 114.1 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.8 | 176.4 | -49 | 0 | 0 | 0 | 0 | 109.6 | T178 V179 | T178-T188 CarbonylContact C-O 3.59Å; T178-T188 WeakPolarHBondContact CA-O 3.27Å; V179-T188 PolarHBondContact N-O 3.26Å; V179-T188 PolarHBondContact O-N 2.84Å |
| 189 | T | 84.9 | Confident | 71.1 | Confident | 93 Ų | 93 | 115.2 Ų | 115.2 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.8 | 177.7 | 62.9 | 0 | 0 | 0 | 0 | 110 | T177 T178 | T177-T189 CarbonylContact O-C 3.59Å; T178-T189 HydrophobicContact CG2-CG2 3.42Å; T178-T189 VanDerWaalsContact CG2-CG2 3.42Å |
| 190 | V | 77.8 | Confident | 68.9 | Low | 71 Ų | 71 | 117.7 Ų | 117.7 | 43% | 0.43 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.3 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | T177 V179 | T177-V190 PolarHBondContact N-O 3.41Å; T177-V190 PolarHBondContact O-N 3.41Å; V179-V190 HydrophobicContact CG2-CG2 4.47Å |
| 191 | E | 79.7 | Confident | 66.1 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 49% | 0.491 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.3 | 178.1 | -169.5 | 164.6 | 175.1 | 0 | 0 | 109.7 | N175 K176 G193 | N175-E191 WeakPolarHBondContact ND2-CG 3.49Å; N175-E191 PolarHBondContact ND2-OE1 3.4Å; N175-E191 WeakPolarHBondContact O-CA 3.36Å; N175-E191 PolarHBondContact OD1-OE1 3.42Å; K176-E191 VanDerWaalsContact CE-CD 3.48Å; K176-E191 WeakPolarHBondContact CE-OE2 3.37Å; K176-E191 HydrophobicContact CG-CB 4.17Å; K176-E191 HydrophobicContact CG-CG 3.96Å; K176-E191 IonicContact NZ-OE2 3.88Å; E191-G193 PolarHBondContact O-N 3.45Å; E191-G193 VanDerWaalsContact O-N 3.15Å |
| 192 | N | 64.8 | Low | 63.5 | Low | 119 Ų | 119 | 119.2 Ų | 119.2 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -78.3 | 102.1 | -179.9 | -89.5 | 34.6 | 0 | 0 | 0 | 110 | N175 | N175-N192 PolarHBondContact O-N 2.91Š|
| 193 | G | 57.5 | Low | 60.5 | Low | 55 Ų | 55 | 122.3 Ų | 122.3 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 173.5 | 92 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | E191 | E191-G193 PolarHBondContact O-N 3.45Å; E191-G193 VanDerWaalsContact O-N 3.15Å |
| 194 | Y | 44.2 | Very low | 58.2 | Low | 233 Ų | 233 | 123.2 Ų | 123.2 | 91% | 0.914 | 68% | 0.676 | S | S | * | * | trans | 76.4 | 115.9 | 179.9 | -57.1 | -85.7 | 0 | 0 | 0 | 116.4 | H196 | Y194-H196 PolarHBondContact O-N 2.82Š| ||
| 195 | L | 44.4 | Very low | 55.8 | Low | 166 Ų | 166 | 127.1 Ų | 127.1 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | trans | -53.4 | 114.6 | 158.4 | -104 | 140.9 | 0 | 0 | 0 | 108.1 | Q197 | L195-Q197 PolarHBondContact O-N 3.45Š| ||
| 196 | H | 41.4 | Very low | 53 | Low | 159 Ų | 159 | 126.1 Ų | 126.1 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | trans | -72 | 82.1 | 163.9 | -168.7 | -80.7 | 0 | 0 | 0 | 107.8 | Y194 D198 | Y194-H196 PolarHBondContact O-N 2.82Å; H196-D198 PolarHBondContact CE1-O 3.49Å; H196-D198 PolarHBondContact ND1-O 3.34Å; H196-D198 PolarHBondContact O-N 3.45Å; H196-D198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | Q | 44.7 | Very low | 50 | Low | 167 Ų | 167 | 127 Ų | 127 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | trans | -79.2 | 77.9 | 167.7 | -175.7 | 153.1 | 25.1 | 0 | 0 | 107.5 | L195 | L195-Q197 PolarHBondContact O-N 3.45Š| ||
| 198 | D | 37.2 | Very low | 47.4 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | trans | -170.4 | 145.7 | 158.1 | -90.2 | -34.4 | 0 | 0 | 0 | 111.1 | H196 | H196-D198 PolarHBondContact CE1-O 3.49Å; H196-D198 PolarHBondContact ND1-O 3.34Å; H196-D198 PolarHBondContact O-N 3.45Å; H196-D198 VanDerWaalsContact O-N 3.08Å | ||
| 199 | C | 38 | Very low | 44.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | 95.6 | 65.9 | 166.2 | -130.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 200 | C | 41.4 | Very low | 42 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 91% | 0.905 | 75% | 0.753 | S | S | * | * | trans | -88.3 | 132.5 | 133.2 | -79.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 201 | A | 34.3 | Very low | 39.9 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 74.8 | 105.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 202 | S | 32.8 | Very low | 37.7 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 169 | 153.7 | 106.7 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 203 | F | 25.3 | Very low | 36.8 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | 82 | 89.3 | 161.3 | -79.3 | -82.2 | 0 | 0 | 0 | 122 | ||||
| 204 | Q | 38 | Very low | 35.6 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | -14.4 | 132.6 | 125.7 | -171.6 | 160.4 | -13.6 | 0 | 0 | 117.1 | |||||
| 205 | Q | 34.8 | Very low | 35.6 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | 86.5 | 106.9 | 147.5 | -160.6 | 164.4 | 1.7 | 0 | 0 | 119.4 | ||||
| 206 | C | 27.1 | Very low | 35.6 | Very low | 129 Ų | 129 | 140 Ų | 140 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | -170.5 | 157.2 | 121.4 | -153 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 207 | C | 28.7 | Very low | 35.8 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 64% | 0.642 | 81% | 0.807 | S | S | * | * | trans | -99.8 | 175.4 | -154.5 | -52.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 208 | Q | 34 | Very low | 35.5 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | 77.4 | 134.6 | 156.8 | -37.8 | -161.1 | 37.1 | 0 | 0 | 115.8 | ||||
| 209 | G | 26.8 | Very low | 35.7 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | cis | 161.7 | 140.7 | 5.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 210 | A | 30.3 | Very low | 35.7 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -173.4 | 138.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 211 | Q | 33.1 | Very low | 35.4 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -84.2 | 161.8 | -166 | -61.3 | -177.9 | -0.7 | 0 | 0 | 113.9 | ||||
| 212 | S | 32.8 | Very low | 35.5 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -44.5 | -173.4 | 166 | 67.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 213 | P | 45.8 | Very low | 35.5 | Very low | 112 Ų | 112 | 156.6 Ų | 156.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -150.8 | 178.7 | 11.5 | 40 | -17.1 | 0 | 0 | 0 | 119.5 | ||||
| 214 | A | 31.9 | Very low | 36.1 | Very low | 87 Ų | 87 | 155 Ų | 155 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | 75.5 | 143.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 215 | K | 45.6 | Very low | 35.8 | Very low | 206 Ų | 206 | 154.2 Ų | 154.2 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | cis | -149.9 | 146.5 | 30.2 | -74.1 | 173.5 | 177.9 | 170.6 | 0 | 112.6 | ||||
| 216 | K | 43.7 | Very low | 35.9 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -68.2 | 154.7 | 170.2 | -59.1 | -177.8 | 174.6 | -176.4 | 0 | 112.6 | ||||
| 217 | R | 45.5 | Very low | 36.2 | Very low | 246 Ų | 246 | 150 Ų | 150 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | -155.6 | 117 | 122.6 | -103.3 | -173.9 | -65.2 | 149.7 | 0.3 | 110.4 | |||||
| 218 | K | 39.6 | Very low | 36.7 | Very low | 168 Ų | 168 | 153.8 Ų | 153.8 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -89.1 | 140.4 | 162.3 | -118.9 | -166.9 | 168.6 | -131.3 | 0 | 106.8 | D220 | K218-D220 IonicContact NZ-OD2 2.66Å; K218-D220 PolarHBondContact NZ-OD2 3.37Å | ||
| 219 | V | 39.9 | Very low | 37 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -139.3 | 108.5 | 156.4 | 167.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 220 | D | 38.9 | Very low | 37.4 | Very low | 123 Ų | 123 | 157.7 Ų | 157.7 | 66% | 0.658 | 79% | 0.788 | S | S | * | * | trans | -87.9 | 140 | 163.7 | -71.2 | -53.6 | 0 | 0 | 0 | 107 | K218 | K218-D220 IonicContact NZ-OD2 2.66Å; K218-D220 PolarHBondContact NZ-OD2 3.37Å | ||
| 221 | F | 34.1 | Very low | 37.8 | Very low | 194 Ų | 194 | 159.3 Ų | 159.3 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -140.1 | 109.6 | 166.2 | -159 | -92.4 | 0 | 0 | 0 | 109.5 | ||||
| 222 | E | 36.5 | Very low | 38.9 | Very low | 191 Ų | 191 | 155.4 Ų | 155.4 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -132.9 | 123 | 169.4 | -171.4 | 176.6 | -152.7 | 0 | 0 | 106.2 | ||||
| 223 | Y | 32.7 | Very low | 38.7 | Very low | 196 Ų | 196 | 157.5 Ų | 157.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -152.9 | 136.5 | 156.8 | -167.9 | -106.2 | 0 | 0 | 0 | 110.6 | I225 | Y223-I225 HydrophobicContact CE1-CD1 4.3Å; Y223-I225 HydrophobicContact CE1-CG1 3.94Å | ||
| 224 | Y | 37.7 | Very low | 38.1 | Very low | 164 Ų | 164 | 160.9 Ų | 160.9 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -104.4 | 138.5 | -166.2 | 172 | -88.7 | 0 | 0 | 0 | 109.7 | S226 | Y224-S226 WeakPolarHBondContact CE1-OG 3.12Å; Y224-S226 PolarHBondContact OH-OG 3.45Å | ||
| 225 | I | 33.3 | Very low | 38.6 | Very low | 151 Ų | 151 | 163.1 Ų | 163.1 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -142.5 | 135.6 | 151.5 | -71.6 | -156.8 | 0 | 0 | 0 | 109.7 | Y223 | Y223-I225 HydrophobicContact CE1-CD1 4.3Å; Y223-I225 HydrophobicContact CE1-CG1 3.94Å | ||
| 226 | S | 35.9 | Very low | 38.6 | Very low | 64 Ų | 64 | 158.6 Ų | 158.6 | 45% | 0.448 | 78% | 0.781 | S | S | . | * | trans | -76.1 | 154.8 | -162.6 | -53 | 0 | 0 | 0 | 0 | 118.2 | Y224 | Y224-S226 WeakPolarHBondContact CE1-OG 3.12Å; Y224-S226 PolarHBondContact OH-OG 3.45Å | ||
| 227 | D | 33.3 | Very low | 38.2 | Very low | 141 Ų | 141 | 155.4 Ų | 155.4 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 48.1 | 117 | 132.7 | -57.1 | -22.6 | 0 | 0 | 0 | 121.9 | ||||
| 228 | I | 38.8 | Very low | 38.1 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -144.7 | 107.5 | 134.9 | -110.2 | 158.9 | 0 | 0 | 0 | 109.8 | ||||
| 229 | E | 40.2 | Very low | 37.9 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 0.9 | 124.8 | 141.6 | -160.4 | 166.6 | -167.1 | 0 | 0 | 119.8 | ||||
| 230 | E | 34.9 | Very low | 37.8 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 170.5 | 102.7 | 121 | -93.3 | -170.7 | 163.5 | 0 | 0 | 112.7 | |||||
| 231 | V | 38.9 | Very low | 37.8 | Very low | 142 Ų | 142 | 157 Ų | 157 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | 30.1 | 146.7 | 133.6 | 175.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 232 | P | 56.3 | Low | 37.8 | Very low | 111 Ų | 111 | 155.6 Ų | 155.6 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -108.3 | 170.3 | -145.2 | 41.4 | -31.3 | 0 | 0 | 0 | 115.1 | ||||
| 233 | D | 30.2 | Very low | 37.8 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -160.5 | 153.9 | 155.1 | -123 | 14.5 | 0 | 0 | 0 | 116.7 | ||||
| 234 | F | 31.6 | Very low | 37.9 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | trans | -45.7 | 147.5 | -163.6 | -60.3 | -92.5 | 0 | 0 | 0 | 120.6 | ||||
| 235 | T | 42.2 | Very low | 38.2 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -94.2 | 147.5 | 147.1 | 55.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 236 | P | 46.7 | Very low | 38 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -156.6 | 156.2 | 70.9 | 38.5 | -17.4 | 0 | 0 | 0 | 116.7 | |||||
| 237 | C | 34.9 | Very low | 38.1 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | 176.2 | 146.1 | 127.1 | -97.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 238 | K | 43 | Very low | 38 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -70.4 | 148.5 | 172.6 | -59.8 | 169 | 177.3 | 172.9 | 0 | 111.4 | ||||
| 239 | R | 35.7 | Very low | 38 | Very low | 234 Ų | 234 | 152.6 Ų | 152.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -140.9 | 109.5 | 141.6 | -172 | 173.7 | -71.2 | 142.8 | -1.6 | 109.7 | ||||
| 240 | A | 37.8 | Very low | 37.7 | Very low | 92 Ų | 92 | 148.9 Ų | 148.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -67.5 | 129.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | F242 | A240-F242 PolarHBondContact O-N 3.38Š| ||
| 241 | K | 38.8 | Very low | 38.2 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -81.3 | 111.9 | 166.3 | -108 | -169.2 | 167 | -154.3 | 0 | 108.1 | E243 | K241-E243 IonicContact NZ-OE2 2.77Š| ||
| 242 | F | 35.3 | Very low | 38.4 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -83 | 128.4 | 162.5 | 178.5 | -93.4 | 0 | 0 | 0 | 107.1 | A240 D244 | A240-F242 PolarHBondContact O-N 3.38Å; F242-D244 HydrophobicContact CE1-CB 4.02Å; F242-D244 WeakPolarHBondContact CE1-OD2 3.26Å; F242-D244 HydrophobicContact CZ-CB 4.34Å; F242-D244 WeakPolarHBondContact CZ-OD2 3.47Å | ||
| 243 | E | 35 | Very low | 38.2 | Very low | 159 Ų | 159 | 152 Ų | 152 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -142.4 | 108.6 | 169.6 | -127.9 | 142.8 | -174.4 | 0 | 0 | 107.9 | K241 | K241-E243 IonicContact NZ-OE2 2.77Š| ||
| 244 | D | 35.9 | Very low | 39 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | trans | -78 | 152.7 | -179.1 | -114.1 | -22.8 | 0 | 0 | 0 | 111.3 | F242 | F242-D244 HydrophobicContact CE1-CB 4.02Å; F242-D244 WeakPolarHBondContact CE1-OD2 3.26Å; F242-D244 HydrophobicContact CZ-CB 4.34Å; F242-D244 WeakPolarHBondContact CZ-OD2 3.47Å | ||
| 245 | C | 42.5 | Very low | 40 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -54.4 | 144.9 | -171.3 | -61.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 246 | S | 29 | Very low | 40.7 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -142.9 | 131.5 | 144 | 60 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 247 | Y | 38.8 | Very low | 41.2 | Very low | 228 Ų | 228 | 139.1 Ų | 139.1 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -68.2 | 126.5 | 173.7 | -106.5 | -109.6 | 0 | 0 | 0 | 110.4 | ||||
| 248 | A | 31 | Very low | 42.5 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | -157.8 | 105.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 249 | N | 39.7 | Very low | 43.3 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | trans | -78.2 | 126.9 | 156.3 | -92 | -81.3 | 0 | 0 | 0 | 107.6 | ||||
| 250 | S | 32.8 | Very low | 44.7 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | trans | -171.3 | 109.8 | 146.9 | 168.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 251 | E | 45.1 | Very low | 46 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | trans | 55.8 | 80.3 | 133.5 | -57.6 | 175.7 | 148 | 0 | 0 | 119 | ||||
| 252 | H | 44.2 | Very low | 47.1 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | trans | -151.9 | 71.3 | 139.3 | -162.1 | -88.7 | 0 | 0 | 0 | 109 | D254 | H252-D254 IonicContact CE1-OD1 3.79Å; H252-D254 IonicContact ND1-OD1 3.77Å; H252-D254 PolarHBondContact O-N 2.86Å | ||
| 253 | L | 52.2 | Low | 48.5 | Very low | 164 Ų | 164 | 118.1 Ų | 118.1 | 86% | 0.859 | 66% | 0.656 | S | S | * | * | trans | -72.2 | 90.9 | 172.3 | -119.8 | 141.4 | 0 | 0 | 0 | 107.3 | T255 | L253-T255 PolarHBondContact O-N 2.94Š| ||
| 254 | D | 45.6 | Very low | 49.7 | Very low | 70 Ų | 70 | 116 Ų | 116 | 37% | 0.374 | 65% | 0.648 | S | S | . | * | trans | -37.7 | 113.5 | -173.7 | -139.3 | 2.7 | 0 | 0 | 0 | 112.3 | H252 S256 N257 | H252-D254 IonicContact CE1-OD1 3.79Å; H252-D254 IonicContact ND1-OD1 3.77Å; H252-D254 PolarHBondContact O-N 2.86Å; D254-S256 WeakPolarHBondContact CB-OG 3.44Å; D254-S256 PolarHBondContact O-N 3.41Å; D254-S256 PolarHBondContact OD1-OG 3.28Å; D254-S256 PolarHBondContact OD2-OG 3.18Å; D254-N257 WeakPolarHBondContact CB-ND2 3.33Å; D254-N257 WeakPolarHBondContact O-CB 3.46Å; D254-N257 PolarHBondContact O-N 3.45Å | ||
| 255 | T | 54.5 | Low | 50.7 | Low | 102 Ų | 102 | 116 Ų | 116 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -54.2 | -19.8 | 172.1 | 2.8 | 0 | 0 | 0 | 0 | 111.9 | L253 S259 | L253-T255 PolarHBondContact O-N 2.94Å; T255-S259 PolarHBondContact O-N 2.86Å; T255-S259 PolarHBondContact O-OG 3.37Å |
| 256 | S | 55.8 | Low | 51.2 | Low | 47 Ų | 47 | 113 Ų | 113 | 33% | 0.329 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.4 | -34.9 | 171.2 | 71.8 | 0 | 0 | 0 | 0 | 113.5 | D254 S259 N260 | D254-S256 WeakPolarHBondContact CB-OG 3.44Å; D254-S256 PolarHBondContact O-N 3.41Å; D254-S256 PolarHBondContact OD1-OG 3.28Å; D254-S256 PolarHBondContact OD2-OG 3.18Å; S256-S259 PolarHBondContact O-N 3.24Å; S256-N260 PolarHBondContact O-N 3.03Å; S256-N260 PolarHBondContact O-ND2 3.38Å |
| 257 | N | 58.2 | Low | 52.4 | Low | 86 Ų | 86 | 112.1 Ų | 112.1 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72 | -33.6 | 179.9 | -74.8 | -51.3 | 0 | 0 | 0 | 111.6 | D254 L261 | D254-N257 WeakPolarHBondContact CB-ND2 3.33Å; D254-N257 WeakPolarHBondContact O-CB 3.46Å; D254-N257 PolarHBondContact O-N 3.45Å; N257-L261 VanDerWaalsContact O-CG 3.28Å; N257-L261 WeakPolarHBondContact O-CG 3.19Å; N257-L261 PolarHBondContact O-N 3.45Å; N257-L261 VanDerWaalsContact O-N 3.15Å |
| 258 | I | 62 | Low | 53 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.5 | -44.1 | 176 | -57.5 | 173.9 | 0 | 0 | 0 | 110 | N260 L261 I262 | I258-N260 VanDerWaalsContact C-N 3.33Å; I258-N260 PolarHBondContact O-N 3.38Å; I258-L261 PolarHBondContact O-N 2.92Å; I258-I262 HydrophobicContact CG2-CD1 3.89Å; I258-I262 HydrophobicContact CG2-CG1 4.44Å; I258-I262 WeakPolarHBondContact O-CG1 3.41Å; I258-I262 PolarHBondContact O-N 3.43Å |
| 259 | S | 59 | Low | 54.1 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.9 | -36.9 | 176.5 | -68.2 | 0 | 0 | 0 | 0 | 113 | T255 S256 I262 S263 | T255-S259 PolarHBondContact O-N 2.86Å; T255-S259 PolarHBondContact O-OG 3.37Å; S256-S259 PolarHBondContact O-N 3.24Å; S259-I262 PolarHBondContact O-N 2.91Å; S259-S263 VanDerWaalsContact O-CB 3.32Å; S259-S263 WeakPolarHBondContact O-CB 3.47Å; S259-S263 PolarHBondContact O-N 3.29Å |
| 260 | N | 64.5 | Low | 54.8 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -39.9 | 173.3 | -76.7 | -24.5 | 0 | 0 | 0 | 112.2 | S256 I258 S263 I264 | S256-N260 PolarHBondContact O-N 3.03Å; S256-N260 PolarHBondContact O-ND2 3.38Å; I258-N260 VanDerWaalsContact C-N 3.33Å; I258-N260 PolarHBondContact O-N 3.38Å; N260-S263 PolarHBondContact O-N 3.06Å; N260-I264 WeakPolarHBondContact O-CB 3.28Å; N260-I264 WeakPolarHBondContact O-CD1 3.35Å; N260-I264 WeakPolarHBondContact O-CG1 3.33Å; N260-I264 PolarHBondContact O-N 2.99Å |
| 261 | L | 65.6 | Low | 55.6 | Low | 93 Ų | 93 | 99.5 Ų | 99.5 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -44.9 | 176.2 | -70 | 168.3 | 0 | 0 | 0 | 111.5 | N257 I258 S263 I264 F265 | N257-L261 VanDerWaalsContact O-CG 3.28Å; N257-L261 WeakPolarHBondContact O-CG 3.19Å; N257-L261 PolarHBondContact O-N 3.45Å; N257-L261 VanDerWaalsContact O-N 3.15Å; I258-L261 PolarHBondContact O-N 2.92Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 3.19Å; L261-I264 PolarHBondContact O-N 3.4Å; L261-I264 VanDerWaalsContact O-N 3.09Å; L261-F265 HydrophobicContact CB-CD2 4.47Å; L261-F265 HydrophobicContact CB-CE2 4.44Å; L261-F265 HydrophobicContact CD2-CE2 4.17Å; L261-F265 WeakPolarHBondContact O-CD2 3.29Å; L261-F265 PolarHBondContact O-N 3.08Å |
| 262 | I | 62.1 | Low | 55.8 | Low | 115 Ų | 115 | 95.5 Ų | 95.5 | 59% | 0.59 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62 | -36.9 | 175.7 | -64.4 | 170.1 | 0 | 0 | 0 | 110.6 | I258 S259 F265 G266 | I258-I262 HydrophobicContact CG2-CD1 3.89Å; I258-I262 HydrophobicContact CG2-CG1 4.44Å; I258-I262 WeakPolarHBondContact O-CG1 3.41Å; I258-I262 PolarHBondContact O-N 3.43Å; S259-I262 PolarHBondContact O-N 2.91Å; I262-F265 PolarHBondContact O-N 3.4Å; I262-G266 WeakPolarHBondContact O-CA 3.47Å; I262-G266 PolarHBondContact O-N 2.89Å |
| 263 | S | 63.9 | Low | 56.1 | Low | 87 Ų | 87 | 93 Ų | 93 | 61% | 0.608 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69 | -30.3 | 174.4 | -170 | 0 | 0 | 0 | 0 | 113.4 | S259 N260 L261 | S259-S263 VanDerWaalsContact O-CB 3.32Å; S259-S263 WeakPolarHBondContact O-CB 3.47Å; S259-S263 PolarHBondContact O-N 3.29Å; N260-S263 PolarHBondContact O-N 3.06Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 3.19Å |
| 264 | I | 60.8 | Low | 55.7 | Low | 113 Ų | 113 | 89 Ų | 89 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.1 | -34.6 | 176.8 | -69.8 | 162.6 | 0 | 0 | 0 | 111.1 | N260 L261 | N260-I264 WeakPolarHBondContact O-CB 3.28Å; N260-I264 WeakPolarHBondContact O-CD1 3.35Å; N260-I264 WeakPolarHBondContact O-CG1 3.33Å; N260-I264 PolarHBondContact O-N 2.99Å; L261-I264 PolarHBondContact O-N 3.4Å; L261-I264 VanDerWaalsContact O-N 3.09Å |
| 265 | F | 57.8 | Low | 55.7 | Low | 126 Ų | 126 | 94.4 Ų | 94.4 | 55% | 0.553 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -90.5 | -24.4 | 179.8 | -67.4 | -65.5 | 0 | 0 | 0 | 114.1 | L261 I262 S267 G268 F269 | L261-F265 HydrophobicContact CB-CD2 4.47Å; L261-F265 HydrophobicContact CB-CE2 4.44Å; L261-F265 HydrophobicContact CD2-CE2 4.17Å; L261-F265 WeakPolarHBondContact O-CD2 3.29Å; L261-F265 PolarHBondContact O-N 3.08Å; I262-F265 PolarHBondContact O-N 3.4Å; F265-S267 VanDerWaalsContact C-N 3.26Å; F265-S267 PolarHBondContact O-N 3.38Å; F265-G268 PolarHBondContact O-N 3.15Å; F265-F269 HydrophobicContact CD1-CE2 4.39Å |
| 266 | G | 53 | Low | 55.2 | Low | 63 Ų | 63 | 95.3 Ų | 95.3 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -20.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I262 | I262-G266 WeakPolarHBondContact O-CA 3.47Å; I262-G266 PolarHBondContact O-N 2.89Å |
| 267 | S | 52.9 | Low | 54.4 | Low | 102 Ų | 102 | 96.7 Ų | 96.7 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -4 | 179.2 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | F265 | F265-S267 VanDerWaalsContact C-N 3.26Å; F265-S267 PolarHBondContact O-N 3.38Å |
| 268 | G | 52.3 | Low | 53.6 | Low | 52 Ų | 52 | 97.4 Ų | 97.4 | 54% | 0.536 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.5 | -12.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | F265 | F265-G268 PolarHBondContact O-N 3.15Š|
| 269 | F | 53.2 | Low | 52.8 | Low | 109 Ų | 109 | 99.7 Ų | 99.7 | 48% | 0.478 | 58% | 0.584 | S | S | . | * | trans | -114.1 | -1.8 | -168.3 | -93.2 | -98.7 | 0 | 0 | 0 | 115.9 | F265 G271 L272 V273 | F265-F269 HydrophobicContact CD1-CE2 4.39Å; F269-G271 PolarHBondContact O-N 3.26Å; F269-G271 VanDerWaalsContact O-N 3.07Å; F269-L272 HydrophobicContact CD1-CB 3.7Å; F269-L272 HydrophobicContact CD1-CD1 3.38Å; F269-L272 HydrophobicContact CD1-CG 4.11Å; F269-L272 HydrophobicContact CE1-CB 4.22Å; F269-L272 HydrophobicContact CE1-CD1 3.19Å; F269-L272 HydrophobicContact CE1-CG 4.31Å; F269-L272 HydrophobicContact CE2-CD1 4.47Å; F269-L272 HydrophobicContact CG-CD1 4.11Å; F269-L272 HydrophobicContact CZ-CD1 3.8Å; F269-L272 PolarHBondContact O-N 3.42Å; F269-V273 PolarHBondContact O-N 3.08Å; F269-V273 VanDerWaalsContact O-N 3.12Å | ||
| 270 | S | 54.6 | Low | 52.1 | Low | 101 Ų | 101 | 104.4 Ų | 104.4 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.9 | -25.1 | 177.9 | -69.3 | 0 | 0 | 0 | 0 | 113.4 | S274 | S270-S274 PolarHBondContact O-N 3.44Å |
| 271 | G | 50 | Low | 51.1 | Low | 56 Ų | 56 | 107.6 Ų | 107.6 | 58% | 0.577 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.2 | -15.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F269 | F269-G271 PolarHBondContact O-N 3.26Å; F269-G271 VanDerWaalsContact O-N 3.07Å |
| 272 | L | 50.4 | Low | 50.1 | Low | 101 Ų | 101 | 106.1 Ų | 106.1 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -98.5 | -31.3 | -179.1 | -67.6 | 174.5 | 0 | 0 | 0 | 112.1 | F269 | F269-L272 HydrophobicContact CD1-CB 3.7Å; F269-L272 HydrophobicContact CD1-CD1 3.38Å; F269-L272 HydrophobicContact CD1-CG 4.11Å; F269-L272 HydrophobicContact CE1-CB 4.22Å; F269-L272 HydrophobicContact CE1-CD1 3.19Å; F269-L272 HydrophobicContact CE1-CG 4.31Å; F269-L272 HydrophobicContact CE2-CD1 4.47Å; F269-L272 HydrophobicContact CG-CD1 4.11Å; F269-L272 HydrophobicContact CZ-CD1 3.8Å; F269-L272 PolarHBondContact O-N 3.42Å |
| 273 | V | 50.5 | Low | 49.2 | Very low | 100 Ų | 100 | 108 Ų | 108 | 61% | 0.606 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.6 | -27.3 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | F269 R275 Q276 | F269-V273 PolarHBondContact O-N 3.08Å; F269-V273 VanDerWaalsContact O-N 3.12Å; V273-R275 PolarHBondContact O-N 2.99Å; V273-Q276 VanDerWaalsContact O-CB 3.24Å; V273-Q276 WeakPolarHBondContact O-CB 3.38Å; V273-Q276 PolarHBondContact O-N 3.37Å |
| 274 | S | 42.3 | Very low | 48.3 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 57% | 0.566 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -23.7 | 174.7 | -171.4 | 0 | 0 | 0 | 0 | 113.5 | S270 | S270-S274 PolarHBondContact O-N 3.44Š|
| 275 | R | 46.8 | Very low | 47.8 | Very low | 183 Ų | 183 | 109.1 Ų | 109.1 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -10.3 | 173.7 | -68.9 | -171.6 | 178.1 | -97 | 1.7 | 113.4 | V273 A277 D278 | V273-R275 PolarHBondContact O-N 2.99Å; R275-A277 VanDerWaalsContact C-N 3.29Å; R275-D278 PolarHBondContact O-N 3.02Å |
| 276 | Q | 43.2 | Very low | 47.6 | Very low | 122 Ų | 122 | 111.5 Ų | 111.5 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -26.4 | 173.3 | -168.3 | 67.6 | 36.4 | 0 | 0 | 111.4 | V273 D278 F279 | V273-Q276 VanDerWaalsContact O-CB 3.24Å; V273-Q276 WeakPolarHBondContact O-CB 3.38Å; V273-Q276 PolarHBondContact O-N 3.37Å; Q276-D278 VanDerWaalsContact C-N 3.3Å; Q276-D278 PolarHBondContact O-N 2.89Å; Q276-F279 WeakPolarHBondContact O-CB 3.4Å; Q276-F279 PolarHBondContact O-N 2.89Å |
| 277 | A | 40.3 | Very low | 47.1 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 63% | 0.628 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -23.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R275 | R275-A277 VanDerWaalsContact C-N 3.29Š|
| 278 | D | 40.8 | Very low | 47 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 54% | 0.54 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | -12.4 | 174.6 | -63.1 | -34.2 | 0 | 0 | 0 | 112.4 | R275 Q276 Q281 A282 | R275-D278 PolarHBondContact O-N 3.02Å; Q276-D278 VanDerWaalsContact C-N 3.3Å; Q276-D278 PolarHBondContact O-N 2.89Å; D278-Q281 PolarHBondContact O-N 3.48Å; D278-A282 PolarHBondContact O-N 3.2Å |
| 279 | F | 45.7 | Very low | 46.7 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -25.1 | -177.7 | -135 | -92.1 | 0 | 0 | 0 | 112.6 | Q276 Q281 A282 | Q276-F279 WeakPolarHBondContact O-CB 3.4Å; Q276-F279 PolarHBondContact O-N 2.89Å; F279-Q281 VanDerWaalsContact C-N 3.35Å; F279-A282 PolarHBondContact O-N 3.14Å |
| 280 | E | 44.4 | Very low | 46.5 | Very low | 174 Ų | 174 | 121.1 Ų | 121.1 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -18.9 | 175.9 | -65.1 | -145.2 | 149.7 | 0 | 0 | 113.3 | ||
| 281 | Q | 43.2 | Very low | 46.4 | Very low | 163 Ų | 163 | 123 Ų | 123 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -16.3 | 169.6 | -86.6 | 176.9 | 11.6 | 0 | 0 | 113.5 | D278 F279 | D278-Q281 PolarHBondContact O-N 3.48Å; F279-Q281 VanDerWaalsContact C-N 3.35Å |
| 282 | A | 43.1 | Very low | 46.5 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 51% | 0.512 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D278 F279 N284 | D278-A282 PolarHBondContact O-N 3.2Å; F279-A282 PolarHBondContact O-N 3.14Å; A282-N284 PolarHBondContact O-N 3.43Å |
| 283 | L | 44.8 | Very low | 46.7 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -1.7 | 176.7 | -152.6 | 75.6 | 0 | 0 | 0 | 113.4 | G285 | L283-G285 PolarHBondContact O-N 3.45Š|
| 284 | N | 45.3 | Very low | 46.7 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -94.8 | 71.3 | 169.7 | -75.2 | -46.9 | 0 | 0 | 0 | 110.9 | A282 Q286 | A282-N284 PolarHBondContact O-N 3.43Å; N284-Q286 PolarHBondContact O-N 3.03Å |
| 285 | G | 49.1 | Very low | 47.1 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 77.8 | 10.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | L283 | L283-G285 PolarHBondContact O-N 3.45Š|
| 286 | Q | 53.2 | Low | 47.5 | Very low | 175 Ų | 175 | 118.4 Ų | 118.4 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -152.3 | 67.6 | -177 | -149 | 163.4 | 0.6 | 0 | 0 | 116.8 | N284 | N284-Q286 PolarHBondContact O-N 3.03Š| ||
| 287 | F | 42.3 | Very low | 47.9 | Very low | 185 Ų | 185 | 114.5 Ų | 114.5 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | trans | -126.4 | 108.9 | 152.5 | -99.4 | -84.8 | 0 | 0 | 0 | 110.8 | ||||
| 288 | C | 51.2 | Low | 48.5 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 62% | 0.622 | 65% | 0.647 | S | S | * | * | trans | -65 | 129.7 | -175.3 | -172.3 | 0 | 0 | 0 | 0 | 111 | K290 Q291 | C288-K290 PolarHBondContact O-N 3.46Å; C288-Q291 PolarHBondContact O-N 3.11Å | ||
| 289 | S | 46.9 | Very low | 48.7 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -11.2 | -171.2 | 74.6 | 0 | 0 | 0 | 0 | 115.5 | Q291 | S289-Q291 PolarHBondContact O-N 2.82Š|
| 290 | K | 47.7 | Very low | 48.9 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 72% | 0.722 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.2 | -30.9 | -178.7 | -64.6 | -174.1 | 178.3 | -175.2 | 0 | 113.6 | C288 A294 | C288-K290 PolarHBondContact O-N 3.46Å; K290-A294 PolarHBondContact O-N 3.27Å |
| 291 | Q | 52.9 | Low | 49.3 | Very low | 141 Ų | 141 | 117.5 Ų | 117.5 | 66% | 0.659 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -79.9 | -29.5 | -177.9 | -161.7 | 159.9 | 7.3 | 0 | 0 | 112.7 | C288 S289 S295 | C288-Q291 PolarHBondContact O-N 3.11Å; S289-Q291 PolarHBondContact O-N 2.82Å; Q291-S295 PolarHBondContact O-N 3.02Å |
| 292 | A | 53.4 | Low | 49.5 | Very low | 63 Ų | 63 | 112.1 Ų | 112.1 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.7 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A294 S295 L296 | A292-A294 PolarHBondContact O-N 3.14Å; A292-S295 PolarHBondContact O-N 3.48Å; A292-S295 PolarHBondContact O-OG 3.19Å; A292-L296 PolarHBondContact O-N 3.07Å |
| 293 | L | 53.2 | Low | 49.7 | Very low | 122 Ų | 122 | 114.9 Ų | 114.9 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.3 | -36.3 | 178.3 | -76.2 | 171.5 | 0 | 0 | 0 | 113.1 | S295 L296 | L293-S295 VanDerWaalsContact C-N 3.32Å; L293-S295 PolarHBondContact O-N 3.21Å; L293-L296 PolarHBondContact O-N 3.42Å |
| 294 | A | 51.3 | Low | 49.9 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.5 | -36 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K290 A292 | K290-A294 PolarHBondContact O-N 3.27Å; A292-A294 PolarHBondContact O-N 3.14Å |
| 295 | S | 50.1 | Low | 49.8 | Very low | 64 Ų | 64 | 110.5 Ų | 110.5 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.9 | -33.2 | 177.2 | 75.2 | 0 | 0 | 0 | 0 | 113 | Q291 A292 L293 G297 A298 W299 | Q291-S295 PolarHBondContact O-N 3.02Å; A292-S295 PolarHBondContact O-N 3.48Å; A292-S295 PolarHBondContact O-OG 3.19Å; L293-S295 VanDerWaalsContact C-N 3.32Å; L293-S295 PolarHBondContact O-N 3.21Å; S295-G297 VanDerWaalsContact C-N 3.34Å; S295-G297 PolarHBondContact O-N 2.95Å; S295-A298 PolarHBondContact O-N 3.49Å; S295-W299 VanDerWaalsContact O-CD1 3.32Å |
| 296 | L | 54.5 | Low | 49.4 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.7 | -30.4 | 178.9 | -116 | 72.3 | 0 | 0 | 0 | 113.6 | A292 L293 A298 W299 T300 | A292-L296 PolarHBondContact O-N 3.07Å; L293-L296 PolarHBondContact O-N 3.42Å; L296-A298 VanDerWaalsContact C-N 3.3Å; L296-A298 PolarHBondContact O-N 3.36Å; L296-W299 PolarHBondContact O-N 3.46Å; L296-T300 PolarHBondContact O-N 3.46Å; L296-T300 PolarHBondContact O-OG1 3.46Å |
| 297 | G | 53.3 | Low | 49.2 | Very low | 40 Ų | 40 | 115.8 Ų | 115.8 | 41% | 0.412 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.6 | -33 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S295 R301 | S295-G297 VanDerWaalsContact C-N 3.34Å; S295-G297 PolarHBondContact O-N 2.95Å; G297-R301 PolarHBondContact O-N 3.44Å |
| 298 | A | 51.4 | Low | 49.6 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.5 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S295 L296 T300 A302 | S295-A298 PolarHBondContact O-N 3.49Å; L296-A298 VanDerWaalsContact C-N 3.3Å; L296-A298 PolarHBondContact O-N 3.36Å; A298-T300 VanDerWaalsContact C-N 3.34Å; A298-T300 PolarHBondContact O-N 3.07Å; A298-A302 PolarHBondContact O-N 3.1Å |
| 299 | W | 44.8 | Very low | 49.5 | Very low | 184 Ų | 184 | 113.3 Ų | 113.3 | 70% | 0.697 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -35.5 | 177.1 | -76 | 77 | 0 | 0 | 0 | 112.5 | S295 L296 I303 | S295-W299 VanDerWaalsContact O-CD1 3.32Å; L296-W299 PolarHBondContact O-N 3.46Å; W299-I303 WeakPolarHBondContact O-CD1 3.38Å; W299-I303 WeakPolarHBondContact O-CG1 3.21Å |
| 300 | T | 50.3 | Low | 49.6 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.8 | -35 | -177.7 | -46.4 | 0 | 0 | 0 | 0 | 112.2 | L296 A298 | L296-T300 PolarHBondContact O-N 3.46Å; L296-T300 PolarHBondContact O-OG1 3.46Å; A298-T300 VanDerWaalsContact C-N 3.34Å; A298-T300 PolarHBondContact O-N 3.07Å |
| 301 | R | 53.1 | Low | 49.8 | Very low | 214 Ų | 214 | 111.7 Ų | 111.7 | 81% | 0.808 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.5 | -34.9 | 176.7 | -69.3 | -168.1 | -165.5 | -157.6 | 4.5 | 113.4 | G297 I303 V304 | G297-R301 PolarHBondContact O-N 3.44Å; R301-I303 VanDerWaalsContact C-N 3.27Å; R301-I303 PolarHBondContact O-N 3.14Å; R301-V304 PolarHBondContact O-N 3.13Å |
| 302 | A | 47.5 | Very low | 49.5 | Very low | 51 Ų | 51 | 109.7 Ų | 109.7 | 42% | 0.421 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -32.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A298 V304 A305 F306 | A298-A302 PolarHBondContact O-N 3.1Å; A302-V304 VanDerWaalsContact C-N 3.34Å; A302-V304 PolarHBondContact O-N 3.5Å; A302-A305 PolarHBondContact O-N 3.34Å; A302-F306 WeakPolarHBondContact O-CD2 3.01Å |
| 303 | I | 46.3 | Very low | 49.3 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.8 | -24.5 | -177.7 | -65.1 | 166.4 | 0 | 0 | 0 | 112.6 | W299 R301 A305 | W299-I303 WeakPolarHBondContact O-CD1 3.38Å; W299-I303 WeakPolarHBondContact O-CG1 3.21Å; R301-I303 VanDerWaalsContact C-N 3.27Å; R301-I303 PolarHBondContact O-N 3.14Å; I303-A305 VanDerWaalsContact C-N 3.33Å |
| 304 | V | 50.2 | Low | 49 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.4 | -15.9 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | R301 A302 | R301-V304 PolarHBondContact O-N 3.13Å; A302-V304 VanDerWaalsContact C-N 3.34Å; A302-V304 PolarHBondContact O-N 3.5Å |
| 305 | A | 43.4 | Very low | 48.8 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 71% | 0.711 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 1.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A302 I303 | A302-A305 PolarHBondContact O-N 3.34Å; I303-A305 VanDerWaalsContact C-N 3.33Å |
| 306 | F | 40.3 | Very low | 48.6 | Very low | 247 Ų | 247 | 120.3 Ų | 120.3 | 100% | 1.083 | 65% | 0.648 | S | S | * | * | trans | -112.6 | 0 | 174.6 | -75.6 | -79.7 | 0 | 0 | 0 | 111 | A302 | A302-F306 WeakPolarHBondContact O-CD2 3.01Š|
Retrieved 306 of 306 residues in 526 ms
(Link to these results)