| 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 | 45.6 | Very low | 64.3 | Low | 225 Ų | 225 | 132.1 Ų | 132.1 | 100% | 1.108 | 66% | 0.659 | S | S | * | * | 0 | 65.4 | 0 | -170.3 | 173.2 | -176.1 | 0 | 0 | 108.2 | |||||
| 2 | Y | 55.3 | Low | 65.8 | Low | 208 Ų | 208 | 129.5 Ų | 129.5 | 82% | 0.816 | 65% | 0.647 | S | S | * | * | trans | -145.4 | 18.2 | -164.3 | -73.6 | -64.5 | 0 | 0 | 0 | 114.1 | ||||
| 3 | T | 60.4 | Low | 67.3 | Low | 121 Ų | 121 | 127.6 Ų | 127.6 | 74% | 0.742 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -106.2 | -12.1 | -166 | 43.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 4 | L | 56.3 | Low | 68.9 | Low | 153 Ų | 153 | 127.4 Ų | 127.4 | 80% | 0.801 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -85.1 | -40.3 | 177.1 | -93 | 78.8 | 0 | 0 | 0 | 113 | K6 M7 | L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.7Å; L4-M7 PolarHBondContact O-N 3.49Å |
| 5 | D | 62.3 | Low | 70.4 | Confident | 126 Ų | 126 | 127.5 Ų | 127.5 | 67% | 0.674 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63 | -41.2 | -175.6 | -146.7 | 36.6 | 0 | 0 | 0 | 111.4 | M7 G8 D9 | D5-M7 VanDerWaalsContact C-N 3.33Å; D5-M7 PolarHBondContact O-N 3.16Å; D5-G8 PolarHBondContact O-N 3.19Å; D5-G8 VanDerWaalsContact O-N 3.14Å; D5-D9 PolarHBondContact O-N 2.98Å |
| 6 | K | 60.9 | Low | 71.7 | Confident | 121 Ų | 121 | 124.9 Ų | 124.9 | 53% | 0.526 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.5 | -34.1 | 178.6 | -68.4 | -65.8 | 169.5 | -152.9 | 0 | 114.4 | L4 G8 D9 E10 | L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.7Å; K6-G8 VanDerWaalsContact C-N 3.32Å; K6-D9 IonicContact NZ-OD2 3.44Å; K6-D9 PolarHBondContact NZ-OD2 2.96Å; K6-D9 PolarHBondContact O-N 3.47Å; K6-E10 WeakPolarHBondContact O-CB 3.29Å; K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.21Å |
| 7 | M | 60.1 | Low | 72.8 | Confident | 136 Ų | 136 | 119.9 Ų | 119.9 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.9 | -39.7 | 176.7 | -160.1 | 88.8 | -159.6 | 0 | 0 | 110.9 | L4 D5 E11 | L4-M7 PolarHBondContact O-N 3.49Å; D5-M7 VanDerWaalsContact C-N 3.33Å; D5-M7 PolarHBondContact O-N 3.16Å; M7-E11 WeakPolarHBondContact O-CB 3.43Å; M7-E11 PolarHBondContact O-N 2.97Å; M7-E11 VanDerWaalsContact O-N 3.07Å |
| 8 | G | 73.2 | Confident | 73.9 | Confident | 30 Ų | 30 | 118.8 Ų | 118.8 | 31% | 0.309 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D5 K6 E10 E11 I12 | D5-G8 PolarHBondContact O-N 3.19Å; D5-G8 VanDerWaalsContact O-N 3.14Å; K6-G8 VanDerWaalsContact C-N 3.32Å; G8-E10 VanDerWaalsContact C-N 3.34Å; G8-E10 PolarHBondContact O-N 3.02Å; G8-E11 PolarHBondContact O-N 3.46Å; G8-I12 WeakPolarHBondContact O-CB 3.35Å; G8-I12 WeakPolarHBondContact O-CD1 3.25Å; G8-I12 WeakPolarHBondContact O-CG1 3.39Å; G8-I12 PolarHBondContact O-N 3.33Å |
| 9 | D | 76.6 | Confident | 74.9 | Confident | 63 Ų | 63 | 115.9 Ų | 115.9 | 34% | 0.337 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -55.2 | -48.2 | 174.1 | -74.7 | -21.6 | 0 | 0 | 0 | 111.4 | D5 K6 I12 N13 | D5-D9 PolarHBondContact O-N 2.98Å; K6-D9 IonicContact NZ-OD2 3.44Å; K6-D9 PolarHBondContact NZ-OD2 2.96Å; K6-D9 PolarHBondContact O-N 3.47Å; D9-I12 PolarHBondContact O-N 3.11Å; D9-N13 WeakPolarHBondContact O-CB 3.46Å; D9-N13 VanDerWaalsContact O-CG 3.29Å; D9-N13 PolarHBondContact O-N 2.98Å; D9-N13 PolarHBondContact O-ND2 3.39Å |
| 10 | E | 78.5 | Confident | 75.7 | Confident | 129 Ų | 129 | 117.2 Ų | 117.2 | 60% | 0.603 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -42.3 | -178.1 | -74.6 | 175 | -158 | 0 | 0 | 112.3 | K6 G8 N13 L14 | K6-E10 WeakPolarHBondContact O-CB 3.29Å; K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.21Å; G8-E10 VanDerWaalsContact C-N 3.34Å; G8-E10 PolarHBondContact O-N 3.02Å; E10-N13 PolarHBondContact O-N 3.43Å; E10-L14 WeakPolarHBondContact O-CB 3.39Å; E10-L14 PolarHBondContact O-N 3.32Å |
| 11 | E | 78.5 | Confident | 76.5 | Confident | 141 Ų | 141 | 114 Ų | 114 | 66% | 0.659 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66 | -41 | 175.9 | -171.5 | 179.7 | 175.4 | 0 | 0 | 112.1 | M7 G8 L14 K15 | M7-E11 WeakPolarHBondContact O-CB 3.43Å; M7-E11 PolarHBondContact O-N 2.97Å; M7-E11 VanDerWaalsContact O-N 3.07Å; G8-E11 PolarHBondContact O-N 3.46Å; E11-L14 PolarHBondContact O-N 2.85Å; E11-K15 WeakPolarHBondContact O-CB 3.23Å; E11-K15 PolarHBondContact O-N 3.15Å |
| 12 | I | 81.4 | Confident | 78.7 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.2 | -69.8 | 164.9 | 0 | 0 | 0 | 110.2 | G8 D9 L14 K15 E16 | G8-I12 WeakPolarHBondContact O-CB 3.35Å; G8-I12 WeakPolarHBondContact O-CD1 3.25Å; G8-I12 WeakPolarHBondContact O-CG1 3.39Å; G8-I12 PolarHBondContact O-N 3.33Å; D9-I12 PolarHBondContact O-N 3.11Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.06Å; I12-K15 PolarHBondContact O-N 3.28Å; I12-E16 HydrophobicContact CG2-CG 4.42Å; I12-E16 WeakPolarHBondContact O-CG 3.43Å; I12-E16 PolarHBondContact O-N 2.97Å |
| 13 | N | 85.3 | Confident | 80.5 | Confident | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -39.5 | 177.7 | -78.2 | -56 | 0 | 0 | 0 | 112.2 | D9 E10 A17 | D9-N13 WeakPolarHBondContact O-CB 3.46Å; D9-N13 VanDerWaalsContact O-CG 3.29Å; D9-N13 PolarHBondContact O-N 2.98Å; D9-N13 PolarHBondContact O-ND2 3.39Å; E10-N13 PolarHBondContact O-N 3.43Å; N13-A17 VanDerWaalsContact O-CB 3.3Å; N13-A17 WeakPolarHBondContact O-CB 3.5Å; N13-A17 PolarHBondContact O-N 3.2Å |
| 14 | L | 90.3 | Very high | 82 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 174.9 | -179.6 | 60.9 | 0 | 0 | 0 | 111.6 | E10 E11 I12 A17 L18 | E10-L14 WeakPolarHBondContact O-CB 3.39Å; E10-L14 PolarHBondContact O-N 3.32Å; E11-L14 PolarHBondContact O-N 2.85Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.06Å; L14-A17 PolarHBondContact O-N 3.18Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.34Å |
| 15 | K | 91.6 | Very high | 83.7 | Confident | 128 Ų | 128 | 100.7 Ų | 100.7 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | 175.9 | -177.7 | -172 | 171.5 | -166.3 | 0 | 111.9 | E11 I12 A17 L18 I19 | E11-K15 WeakPolarHBondContact O-CB 3.23Å; E11-K15 PolarHBondContact O-N 3.15Å; I12-K15 PolarHBondContact O-N 3.28Å; K15-A17 VanDerWaalsContact C-N 3.33Å; K15-A17 PolarHBondContact O-N 3.04Å; K15-L18 PolarHBondContact O-N 3.12Å; K15-I19 HydrophobicContact CG-CD1 3.98Å; K15-I19 VanDerWaalsContact O-CG1 3.31Å; K15-I19 WeakPolarHBondContact O-CG1 3.49Å; K15-I19 PolarHBondContact O-N 3.29Å |
| 16 | E | 91.2 | Very high | 84.9 | Confident | 87 Ų | 87 | 96 Ų | 96 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69 | -29.6 | 177 | -69.1 | -58.2 | 143.9 | 0 | 0 | 112.5 | I12 R20 | I12-E16 HydrophobicContact CG2-CG 4.42Å; I12-E16 WeakPolarHBondContact O-CG 3.43Å; I12-E16 PolarHBondContact O-N 2.97Å; E16-R20 WeakPolarHBondContact O-CB 3.27Å; E16-R20 WeakPolarHBondContact O-CG 3.48Å; E16-R20 PolarHBondContact O-N 3.42Å; E16-R20 PolarHBondContact O-NE 3.07Å |
| 17 | A | 90.1 | Very high | 86.5 | Confident | 40 Ų | 40 | 93.9 Ų | 93.9 | 33% | 0.331 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.3 | -43.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N13 L14 K15 R20 S21 | N13-A17 VanDerWaalsContact O-CB 3.3Å; N13-A17 WeakPolarHBondContact O-CB 3.5Å; N13-A17 PolarHBondContact O-N 3.2Å; L14-A17 PolarHBondContact O-N 3.18Å; K15-A17 VanDerWaalsContact C-N 3.33Å; K15-A17 PolarHBondContact O-N 3.04Å; A17-R20 PolarHBondContact O-N 3.41Å; A17-S21 WeakPolarHBondContact O-CB 2.95Å; A17-S21 PolarHBondContact O-N 3.5Å |
| 18 | L | 93.1 | Very high | 87.9 | Confident | 99 Ų | 99 | 89.8 Ų | 89.8 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 176.5 | -176.5 | 66.4 | 0 | 0 | 0 | 111.8 | L14 K15 R20 S21 L22 | L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.34Å; K15-L18 PolarHBondContact O-N 3.12Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 2.77Å; L18-S21 PolarHBondContact O-N 2.99Å; L18-L22 HydrophobicContact CD1-CD1 4.14Å; L18-L22 HydrophobicContact CD1-CG 4.14Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.94Å |
| 19 | I | 92.1 | Very high | 88.7 | Confident | 64 Ų | 64 | 90.6 Ų | 90.6 | 33% | 0.328 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 176.2 | -72.5 | 167.2 | 0 | 0 | 0 | 110.7 | K15 N23 L28 | K15-I19 HydrophobicContact CG-CD1 3.98Å; K15-I19 VanDerWaalsContact O-CG1 3.31Å; K15-I19 WeakPolarHBondContact O-CG1 3.49Å; K15-I19 PolarHBondContact O-N 3.29Å; I19-N23 VanDerWaalsContact O-CB 3.29Å; I19-N23 WeakPolarHBondContact O-CB 3.29Å; I19-N23 PolarHBondContact O-N 2.98Å; I19-L28 HydrophobicContact CB-CD1 4.46Å; I19-L28 HydrophobicContact CG2-CD1 3.97Å; I19-L28 WeakPolarHBondContact O-CD1 3.21Å |
| 20 | R | 91.8 | Very high | 89.4 | Confident | 142 Ų | 142 | 91.2 Ų | 91.2 | 54% | 0.536 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 176.2 | -76.3 | 177.7 | -70 | 157.5 | -2.7 | 112.1 | E16 A17 L18 L22 N23 E24 | E16-R20 WeakPolarHBondContact O-CB 3.27Å; E16-R20 WeakPolarHBondContact O-CG 3.48Å; E16-R20 PolarHBondContact O-N 3.42Å; E16-R20 PolarHBondContact O-NE 3.07Å; A17-R20 PolarHBondContact O-N 3.41Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 2.77Å; R20-L22 PolarHBondContact O-N 3.19Å; R20-N23 PolarHBondContact O-N 3.15Å; R20-N23 VanDerWaalsContact O-N 3.09Å; R20-E24 WeakPolarHBondContact O-CB 3.28Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 3.12Å |
| 21 | S | 91.6 | Very high | 90.1 | Very high | 49 Ų | 49 | 90.1 Ų | 90.1 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 177.2 | 165.1 | 0 | 0 | 0 | 0 | 112.3 | A17 L18 N23 E24 E25 | A17-S21 WeakPolarHBondContact O-CB 2.95Å; A17-S21 PolarHBondContact O-N 3.5Å; L18-S21 PolarHBondContact O-N 2.99Å; S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 2.82Å; S21-E24 PolarHBondContact O-N 3.15Å; S21-E25 WeakPolarHBondContact O-CB 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.4Å; S21-E25 PolarHBondContact O-N 3.01Å |
| 22 | L | 93 | Very high | 90.8 | Very high | 48 Ų | 48 | 88.4 Ų | 88.4 | 25% | 0.251 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.9 | -23 | 177.6 | -65.9 | 176.1 | 0 | 0 | 0 | 113.3 | L18 R20 I27 L28 | L18-L22 HydrophobicContact CD1-CD1 4.14Å; L18-L22 HydrophobicContact CD1-CG 4.14Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.94Å; R20-L22 PolarHBondContact O-N 3.19Å; L22-I27 HydrophobicContact CB-CB 4.45Å; L22-I27 HydrophobicContact CD2-CB 4.23Å; L22-I27 HydrophobicContact CD2-CD1 3.77Å; L22-I27 HydrophobicContact CD2-CG2 4.22Å; L22-I27 WeakPolarHBondContact O-CA 3.35Å; L22-I27 WeakPolarHBondContact O-CB 3.31Å; L22-I27 PolarHBondContact O-N 3.15Å; L22-L28 HydrophobicContact CB-CD1 3.97Å; L22-L28 HydrophobicContact CB-CG 3.85Å; L22-L28 PolarHBondContact O-N 3.46Å |
| 23 | N | 91.9 | Very high | 91.2 | Very high | 92 Ų | 92 | 83.9 Ų | 83.9 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -81.6 | -40 | 173.8 | -170.6 | 67.2 | 0 | 0 | 0 | 111.9 | I19 R20 S21 G26 L28 | I19-N23 VanDerWaalsContact O-CB 3.29Å; I19-N23 WeakPolarHBondContact O-CB 3.29Å; I19-N23 PolarHBondContact O-N 2.98Å; R20-N23 PolarHBondContact O-N 3.15Å; R20-N23 VanDerWaalsContact O-N 3.09Å; S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 2.82Å; N23-G26 PolarHBondContact O-N 3.49Å; N23-G26 VanDerWaalsContact O-N 3.08Å; N23-L28 HydrophobicContact CB-CD1 4.24Å |
| 24 | E | 91.7 | Very high | 91.4 | Very high | 159 Ų | 159 | 83.5 Ų | 83.5 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.2 | -38.8 | 174.6 | -73.3 | 169.4 | -160.8 | 0 | 0 | 112 | R20 S21 G26 | R20-E24 WeakPolarHBondContact O-CB 3.28Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 3.12Å; S21-E24 PolarHBondContact O-N 3.15Å; E24-G26 PolarHBondContact O-N 3.31Å |
| 25 | E | 91.7 | Very high | 91.7 | Very high | 130 Ų | 130 | 82.9 Ų | 82.9 | 61% | 0.607 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5 | 171.2 | -69.2 | -178.3 | -169.6 | 0 | 0 | 113.5 | S21 I27 | S21-E25 WeakPolarHBondContact O-CB 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.4Å; S21-E25 PolarHBondContact O-N 3.01Å; E25-I27 HydrophobicContact CB-CD1 4.02Å; E25-I27 HydrophobicContact CB-CG1 4.07Å; E25-I27 PolarHBondContact O-N 3.33Å; E25-I27 VanDerWaalsContact OE2-CD1 3.25Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.4Å |
| 26 | G | 89.2 | Confident | 91.6 | Very high | 26 Ų | 26 | 82.5 Ų | 82.5 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 4.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N23 E24 K30 | N23-G26 PolarHBondContact O-N 3.49Å; N23-G26 VanDerWaalsContact O-N 3.08Å; E24-G26 PolarHBondContact O-N 3.31Å; G26-K30 WeakPolarHBondContact O-CB 3.47Å; G26-K30 PolarHBondContact O-N 2.83Å; G26-K30 VanDerWaalsContact O-N 3.09Å |
| 27 | I | 93 | Very high | 91.3 | Very high | 78 Ų | 78 | 78.8 Ų | 78.8 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | -178.7 | -62.5 | 172 | 0 | 0 | 0 | 111.3 | L22 E25 K30 L31 | L22-I27 HydrophobicContact CB-CB 4.45Å; L22-I27 HydrophobicContact CD2-CB 4.23Å; L22-I27 HydrophobicContact CD2-CD1 3.77Å; L22-I27 HydrophobicContact CD2-CG2 4.22Å; L22-I27 WeakPolarHBondContact O-CA 3.35Å; L22-I27 WeakPolarHBondContact O-CB 3.31Å; L22-I27 PolarHBondContact O-N 3.15Å; E25-I27 HydrophobicContact CB-CD1 4.02Å; E25-I27 HydrophobicContact CB-CG1 4.07Å; E25-I27 PolarHBondContact O-N 3.33Å; E25-I27 VanDerWaalsContact OE2-CD1 3.25Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.4Å; I27-K30 WeakPolarHBondContact O-CB 3.31Å; I27-K30 PolarHBondContact O-N 3.32Å; I27-L31 PolarHBondContact O-N 3.26Å |
| 28 | L | 90.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 79.5 Ų | 79.5 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -51.6 | 177.5 | -85.3 | 172 | 0 | 0 | 0 | 112.3 | I19 L22 N23 K30 L31 E32 | I19-L28 HydrophobicContact CB-CD1 4.46Å; I19-L28 HydrophobicContact CG2-CD1 3.97Å; I19-L28 WeakPolarHBondContact O-CD1 3.21Å; L22-L28 HydrophobicContact CB-CD1 3.97Å; L22-L28 HydrophobicContact CB-CG 3.85Å; L22-L28 PolarHBondContact O-N 3.46Å; N23-L28 HydrophobicContact CB-CD1 4.24Å; L28-K30 PolarHBondContact O-N 3.33Å; L28-L31 PolarHBondContact O-N 3.38Å; L28-E32 PolarHBondContact O-N 3.29Å |
| 29 | P | 90.4 | Very high | 91 | Very high | 47 Ų | 47 | 78.2 Ų | 78.2 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.2 | -34.4 | 171.4 | -30.3 | 36.1 | 0 | 0 | 0 | 114.4 | A33 N86 | P29-A33 WeakPolarHBondContact O-CB 3.48Å; P29-A33 PolarHBondContact O-N 3.26Å; P29-N86 WeakPolarHBondContact CB-ND2 3.28Å |
| 30 | K | 91.2 | Very high | 90.6 | Very high | 75 Ų | 75 | 78.1 Ų | 78.1 | 33% | 0.326 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71 | -44.4 | 177.6 | -172.4 | 161.8 | -177.1 | 163.5 | 0 | 112.4 | G26 I27 L28 A33 Q34 E85 N86 | G26-K30 WeakPolarHBondContact O-CB 3.47Å; G26-K30 PolarHBondContact O-N 2.83Å; G26-K30 VanDerWaalsContact O-N 3.09Å; I27-K30 WeakPolarHBondContact O-CB 3.31Å; I27-K30 PolarHBondContact O-N 3.32Å; L28-K30 PolarHBondContact O-N 3.33Å; K30-A33 PolarHBondContact O-N 3.13Å; K30-Q34 WeakPolarHBondContact O-CB 3.31Å; K30-Q34 VanDerWaalsContact O-CG 3.26Å; K30-Q34 WeakPolarHBondContact O-CG 3.42Å; K30-Q34 PolarHBondContact O-N 3.29Å; K30-E85 IonicContact NZ-OE2 2.63Å; K30-E85 PolarHBondContact NZ-OE2 2.9Å; K30-N86 VanDerWaalsContact CA-OD1 3.25Å; K30-N86 WeakPolarHBondContact CA-OD1 3.37Å; K30-N86 WeakPolarHBondContact CB-OD1 3.42Å; K30-N86 WeakPolarHBondContact CG-OD1 3.3Å; K30-N86 PolarHBondContact N-ND2 3.27Å |
| 31 | L | 93.6 | Very high | 90.2 | Very high | 106 Ų | 106 | 74.4 Ų | 74.4 | 56% | 0.555 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 174.4 | -177.1 | 61.5 | 0 | 0 | 0 | 111.6 | I27 L28 Q34 L35 | I27-L31 PolarHBondContact O-N 3.26Å; L28-L31 PolarHBondContact O-N 3.38Å; L31-Q34 PolarHBondContact O-N 3.46Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.08Å |
| 32 | E | 91.6 | Very high | 89.9 | Confident | 106 Ų | 106 | 74.3 Ų | 74.3 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 173.5 | -81.2 | -163.3 | -161.9 | 0 | 0 | 112.7 | L28 L35 K36 | L28-E32 PolarHBondContact O-N 3.29Å; E32-L35 PolarHBondContact O-N 3.36Å; E32-K36 WeakPolarHBondContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CD 3.11Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.5Å; E32-K36 PolarHBondContact O-N 2.84Å; E32-K36 IonicContact OE2-NZ 2.64Å; E32-K36 PolarHBondContact OE2-NZ 3.1Å |
| 33 | A | 89.9 | Confident | 89.4 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 5% | 0.05 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P29 K30 K36 A37 N86 V90 | P29-A33 WeakPolarHBondContact O-CB 3.48Å; P29-A33 PolarHBondContact O-N 3.26Å; K30-A33 PolarHBondContact O-N 3.13Å; A33-K36 PolarHBondContact O-N 3.38Å; A33-A37 VanDerWaalsContact O-CB 3.28Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 2.9Å; A33-N86 HydrophobicContact CB-CB 3.82Å; A33-V90 HydrophobicContact CB-CG2 4.01Å |
| 34 | Q | 91.2 | Very high | 88.4 | Confident | 97 Ų | 97 | 73.6 Ų | 73.6 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 174.6 | -73.7 | 174.9 | -12.5 | 0 | 0 | 112.5 | K30 L31 A38 | K30-Q34 WeakPolarHBondContact O-CB 3.31Å; K30-Q34 VanDerWaalsContact O-CG 3.26Å; K30-Q34 WeakPolarHBondContact O-CG 3.42Å; K30-Q34 PolarHBondContact O-N 3.29Å; L31-Q34 PolarHBondContact O-N 3.46Å; Q34-A38 VanDerWaalsContact O-CB 3.27Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.46Å |
| 35 | L | 94.8 | Very high | 87.5 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 58% | 0.581 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.2 | -44.1 | 175.7 | -178.4 | 61.7 | 0 | 0 | 0 | 111.5 | L31 E32 A37 A38 V39 | L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.08Å; E32-L35 PolarHBondContact O-N 3.36Å; L35-A37 PolarHBondContact O-N 2.63Å; L35-A38 PolarHBondContact O-N 3.21Å; L35-V39 HydrophobicContact CD1-CG2 4.21Å; L35-V39 WeakPolarHBondContact O-CB 3.47Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.87Å |
| 36 | K | 90 | Very high | 86.4 | Confident | 120 Ų | 120 | 73.3 Ų | 73.3 | 52% | 0.522 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 175.2 | -72.4 | 162.9 | -169.9 | 162.9 | 0 | 110.9 | E32 A33 V39 Y40 | E32-K36 WeakPolarHBondContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CD 3.11Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.5Å; E32-K36 PolarHBondContact O-N 2.84Å; E32-K36 IonicContact OE2-NZ 2.64Å; E32-K36 PolarHBondContact OE2-NZ 3.1Å; A33-K36 PolarHBondContact O-N 3.38Å; K36-V39 PolarHBondContact O-N 2.66Å; K36-Y40 WeakPolarHBondContact O-CB 3.25Å; K36-Y40 PolarHBondContact O-N 3.5Å |
| 37 | A | 85.7 | Confident | 85 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A33 L35 V39 Y40 L41 D93 | A33-A37 VanDerWaalsContact O-CB 3.28Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 2.9Å; L35-A37 PolarHBondContact O-N 2.63Å; A37-V39 PolarHBondContact O-N 2.98Å; A37-Y40 PolarHBondContact O-N 2.91Å; A37-L41 WeakPolarHBondContact O-CB 3.39Å; A37-L41 PolarHBondContact O-N 3.05Å; A37-D93 HydrophobicContact CB-CB 4.44Å; A37-D93 VanDerWaalsContact CB-OD2 3.24Å; A37-D93 WeakPolarHBondContact CB-OD2 3.4Å |
| 38 | A | 88.2 | Confident | 83.2 | Confident | 55 Ų | 55 | 77.2 Ų | 77.2 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q34 L35 A42 | Q34-A38 VanDerWaalsContact O-CB 3.27Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.46Å; L35-A38 PolarHBondContact O-N 3.21Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 3Å |
| 39 | V | 87.6 | Confident | 81.6 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 44% | 0.442 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 173.4 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L35 K36 A37 A42 L43 | L35-V39 HydrophobicContact CD1-CG2 4.21Å; L35-V39 WeakPolarHBondContact O-CB 3.47Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.87Å; K36-V39 PolarHBondContact O-N 2.66Å; A37-V39 PolarHBondContact O-N 2.98Å; V39-A42 PolarHBondContact O-N 3.43Å; V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.37Å; V39-L43 WeakPolarHBondContact O-CB 3.5Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.39Å; V39-L43 PolarHBondContact O-N 3.21Å |
| 40 | Y | 84.4 | Confident | 80.1 | Confident | 61 Ų | 61 | 84.4 Ų | 84.4 | 24% | 0.239 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.2 | -49.4 | 174.8 | -177.2 | -96.4 | 0 | 0 | 0 | 111.4 | K36 A37 A42 L43 E44 S55 D93 E94 | K36-Y40 WeakPolarHBondContact O-CB 3.25Å; K36-Y40 PolarHBondContact O-N 3.5Å; A37-Y40 PolarHBondContact O-N 2.91Å; Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 3.3Å; Y40-L43 PolarHBondContact O-N 3.01Å; Y40-E44 WeakPolarHBondContact O-CB 3.45Å; Y40-E44 PolarHBondContact O-N 3.08Å; Y40-S55 PolarHBondContact OH-OG 2.88Å; Y40-D93 HydrophobicContact CD1-CB 4.26Å; Y40-D93 WeakPolarHBondContact CE1-O 3.16Å; Y40-E94 PolarHBondContact OH-O 3.35Å |
| 41 | L | 83.4 | Confident | 78.3 | Confident | 64 Ų | 64 | 84 Ų | 84 | 34% | 0.335 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 178 | -178.9 | 63.1 | 0 | 0 | 0 | 113 | A37 K45 | A37-L41 WeakPolarHBondContact O-CB 3.39Å; A37-L41 PolarHBondContact O-N 3.05Å; L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 3.42Å; L41-K45 VanDerWaalsContact O-N 3.08Å |
| 42 | A | 85.1 | Confident | 76.5 | Confident | 47 Ų | 47 | 83 Ų | 83 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A38 V39 Y40 K45 H46 | A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 3Å; V39-A42 PolarHBondContact O-N 3.43Å; Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 3.3Å; A42-K45 PolarHBondContact O-N 3.02Å; A42-H46 PolarHBondContact O-CD2 3.48Å; A42-H46 VanDerWaalsContact O-CD2 3.27Å; A42-H46 PolarHBondContact O-N 3.15Å; A42-H46 VanDerWaalsContact O-N 3.13Å |
| 43 | L | 82 | Confident | 74.8 | Confident | 96 Ų | 96 | 83 Ų | 83 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.7 | -70.3 | 172.9 | 0 | 0 | 0 | 111.5 | V39 Y40 K45 H46 N47 | V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.37Å; V39-L43 WeakPolarHBondContact O-CB 3.5Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.39Å; V39-L43 PolarHBondContact O-N 3.21Å; Y40-L43 PolarHBondContact O-N 3.01Å; L43-K45 PolarHBondContact O-N 3Å; L43-H46 PolarHBondContact O-N 3.04Å; L43-N47 VanDerWaalsContact O-CB 3.27Å; L43-N47 WeakPolarHBondContact O-CB 3.37Å; L43-N47 PolarHBondContact O-N 3.36Å; L43-N47 PolarHBondContact O-ND2 3.02Å; L43-N47 PolarHBondContact O-OD1 3.26Å |
| 44 | E | 72.6 | Confident | 73.3 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 14% | 0.136 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -56.8 | -51.4 | 175.1 | -153.2 | -167.2 | 163.8 | 0 | 0 | 110.2 | Y40 H46 N47 Y48 R60 Q96 | Y40-E44 WeakPolarHBondContact O-CB 3.45Å; Y40-E44 PolarHBondContact O-N 3.08Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.4Å; E44-N47 PolarHBondContact O-N 2.9Å; E44-N47 VanDerWaalsContact O-N 3.1Å; E44-Y48 HydrophobicContact CB-CE2 4.35Å; E44-Y48 HydrophobicContact CG-CD2 4.5Å; E44-Y48 HydrophobicContact CG-CE2 3.65Å; E44-Y48 WeakPolarHBondContact O-CD2 3.29Å; E44-Y48 WeakPolarHBondContact O-CE2 3.4Å; E44-Y48 PolarHBondContact O-N 2.9Å; E44-Y48 VanDerWaalsContact O-N 3.12Å; E44-Y48 PolarHBondContact OE1-OH 3.3Å; E44-R60 IonicContact OE1-NH2 3.41Å; E44-R60 PolarHBondContact OE1-NH2 2.91Å; E44-Q96 PolarHBondContact OE1-NE2 2.87Å |
| 45 | K | 72.9 | Confident | 72 | Confident | 142 Ų | 142 | 84.3 Ų | 84.3 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54.4 | -40.7 | 176.9 | -77.5 | 178.2 | -179.8 | -178.3 | 0 | 113.9 | L41 A42 L43 | L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 3.42Å; L41-K45 VanDerWaalsContact O-N 3.08Å; A42-K45 PolarHBondContact O-N 3.02Å; L43-K45 PolarHBondContact O-N 3Å |
| 46 | H | 67.5 | Low | 70.8 | Confident | 141 Ų | 141 | 81.7 Ų | 81.7 | 65% | 0.653 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -75.8 | -36.8 | 176.3 | -78.8 | -73.6 | 0 | 0 | 0 | 112.7 | A42 L43 E44 Y48 A49 | A42-H46 PolarHBondContact O-CD2 3.48Å; A42-H46 VanDerWaalsContact O-CD2 3.27Å; A42-H46 PolarHBondContact O-N 3.15Å; A42-H46 VanDerWaalsContact O-N 3.13Å; L43-H46 PolarHBondContact O-N 3.04Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.4Å; H46-Y48 VanDerWaalsContact C-N 3.3Å; H46-Y48 PolarHBondContact O-N 3.43Å; H46-A49 WeakPolarHBondContact O-CB 3.39Å; H46-A49 PolarHBondContact O-N 2.91Å |
| 47 | N | 60.2 | Low | 70.2 | Confident | 59 Ų | 59 | 82 Ų | 82 | 32% | 0.316 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.9 | -26.7 | -179.4 | -70.3 | -13.1 | 0 | 0 | 0 | 113.3 | L43 E44 A49 E50 G51 I52 | L43-N47 VanDerWaalsContact O-CB 3.27Å; L43-N47 WeakPolarHBondContact O-CB 3.37Å; L43-N47 PolarHBondContact O-N 3.36Å; L43-N47 PolarHBondContact O-ND2 3.02Å; L43-N47 PolarHBondContact O-OD1 3.26Å; E44-N47 PolarHBondContact O-N 2.9Å; E44-N47 VanDerWaalsContact O-N 3.1Å; N47-A49 PolarHBondContact O-N 3.41Å; N47-E50 PolarHBondContact O-N 3.4Å; N47-G51 PolarHBondContact O-N 3.4Å; N47-I52 HydrophobicContact CB-CB 4.32Å; N47-I52 HydrophobicContact CB-CD1 4.13Å; N47-I52 WeakPolarHBondContact OD1-CD1 3.5Å |
| 48 | Y | 54.9 | Low | 70.1 | Confident | 127 Ų | 127 | 85.8 Ų | 85.8 | 50% | 0.498 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.4 | 169.9 | -74.3 | -77.8 | 0 | 0 | 0 | 112.9 | E44 H46 L54 R60 | E44-Y48 HydrophobicContact CB-CE2 4.35Å; E44-Y48 HydrophobicContact CG-CD2 4.5Å; E44-Y48 HydrophobicContact CG-CE2 3.65Å; E44-Y48 WeakPolarHBondContact O-CD2 3.29Å; E44-Y48 WeakPolarHBondContact O-CE2 3.4Å; E44-Y48 PolarHBondContact O-N 2.9Å; E44-Y48 VanDerWaalsContact O-N 3.12Å; E44-Y48 PolarHBondContact OE1-OH 3.3Å; H46-Y48 VanDerWaalsContact C-N 3.3Å; H46-Y48 PolarHBondContact O-N 3.43Å; Y48-L54 HydrophobicContact CD1-CD2 4.02Å; Y48-L54 HydrophobicContact CE1-CD2 3.4Å; Y48-R60 PolarHBondContact OH-NH2 3.25Å |
| 49 | A | 56.3 | Low | 70 | Confident | 91 Ų | 91 | 85.1 Ų | 85.1 | 75% | 0.752 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -23.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | H46 N47 | H46-A49 WeakPolarHBondContact O-CB 3.39Å; H46-A49 PolarHBondContact O-N 2.91Å; N47-A49 PolarHBondContact O-N 3.41Å |
| 50 | E | 59.5 | Low | 69.8 | Low | 157 Ų | 157 | 85.5 Ų | 85.5 | 73% | 0.734 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 9.9 | -176.2 | -63.1 | -156.1 | 161.8 | 0 | 0 | 114.2 | N47 I52 | N47-E50 PolarHBondContact O-N 3.4Å; E50-I52 HydrophobicContact CB-CD1 4.38Å; E50-I52 PolarHBondContact O-N 3.45Å; E50-I52 VanDerWaalsContact O-N 3.16Å |
| 51 | G | 53.9 | Low | 69.9 | Low | 68 Ų | 68 | 86.3 Ų | 86.3 | 70% | 0.701 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 17.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N47 | N47-G51 PolarHBondContact O-N 3.4Š|
| 52 | I | 54.8 | Low | 70.3 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 43% | 0.431 | 48% | 0.481 | S | S | . | . | trans | -65.8 | 123.7 | 174.7 | -65.2 | 161.9 | 0 | 0 | 0 | 107.3 | N47 E50 L54 | N47-I52 HydrophobicContact CB-CB 4.32Å; N47-I52 HydrophobicContact CB-CD1 4.13Å; N47-I52 WeakPolarHBondContact OD1-CD1 3.5Å; E50-I52 HydrophobicContact CB-CD1 4.38Å; E50-I52 PolarHBondContact O-N 3.45Å; E50-I52 VanDerWaalsContact O-N 3.16Å; I52-L54 PolarHBondContact O-N 3.38Å | ||
| 53 | P | 56.9 | Low | 70.5 | Confident | 107 Ų | 107 | 85 Ų | 85 | 70% | 0.695 | 47% | 0.466 | S | S | * | . | trans | -59.6 | 126.4 | -174.4 | 22.2 | -32.5 | 0 | 0 | 0 | 109.9 | S55 | P53-S55 PolarHBondContact O-N 2.85Š| ||
| 54 | L | 57.3 | Low | 70.8 | Confident | 74 Ų | 74 | 85.4 Ų | 85.4 | 39% | 0.387 | 48% | 0.477 | S | S | . | . | trans | -44.5 | 113.4 | -179.1 | -64.2 | 164.1 | 0 | 0 | 0 | 109.9 | Y48 I52 N56 Q57 | Y48-L54 HydrophobicContact CD1-CD2 4.02Å; Y48-L54 HydrophobicContact CE1-CD2 3.4Å; I52-L54 PolarHBondContact O-N 3.38Å; L54-N56 PolarHBondContact O-N 3.39Å; L54-Q57 HydrophobicContact CB-CG 4.33Å | ||
| 55 | S | 64 | Low | 71.7 | Confident | 56 Ų | 56 | 87 Ų | 87 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 143.2 | 167.8 | 43.6 | 0 | 0 | 0 | 0 | 108.5 | Y40 P53 | Y40-S55 PolarHBondContact OH-OG 2.88Å; P53-S55 PolarHBondContact O-N 2.85Å |
| 56 | N | 70.5 | Confident | 72.6 | Confident | 55 Ų | 55 | 87.1 Ų | 87.1 | 29% | 0.294 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 32 | 172.4 | -51.8 | -27 | 0 | 0 | 0 | 116.1 | L54 S58 I59 R60 E94 | L54-N56 PolarHBondContact O-N 3.39Å; N56-S58 PolarHBondContact O-N 3.21Å; N56-I59 HydrophobicContact CB-CB 3.92Å; N56-I59 HydrophobicContact CB-CG2 3.54Å; N56-I59 WeakPolarHBondContact O-CG2 3.34Å; N56-I59 PolarHBondContact O-N 3.48Å; N56-R60 PolarHBondContact O-N 3.44Å; N56-E94 PolarHBondContact ND2-O 3.32Å |
| 57 | Q | 77.4 | Confident | 73.8 | Confident | 127 Ų | 127 | 86 Ų | 86 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -50 | -40.4 | 166.8 | -74.4 | -172.6 | -0.9 | 0 | 0 | 113.1 | L54 I59 R60 S61 | L54-Q57 HydrophobicContact CB-CG 4.33Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; Q57-I59 PolarHBondContact O-N 2.86Å; Q57-R60 PolarHBondContact O-N 2.9Å; Q57-S61 PolarHBondContact O-N 3.05Å |
| 58 | S | 82.4 | Confident | 75.3 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.2 | -42.9 | 174.2 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | N56 S61 L62 | N56-S58 PolarHBondContact O-N 3.21Å; S58-S61 PolarHBondContact O-N 3.27Å; S58-S61 PolarHBondContact O-OG 3.31Å; S58-L62 PolarHBondContact O-N 2.94Å |
| 59 | I | 86.2 | Confident | 77.2 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 21% | 0.21 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 178.2 | -127.2 | 172.5 | 0 | 0 | 0 | 111.4 | N56 Q57 S61 L62 W63 A95 | N56-I59 HydrophobicContact CB-CB 3.92Å; N56-I59 HydrophobicContact CB-CG2 3.54Å; N56-I59 WeakPolarHBondContact O-CG2 3.34Å; N56-I59 PolarHBondContact O-N 3.48Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; Q57-I59 PolarHBondContact O-N 2.86Å; I59-S61 VanDerWaalsContact C-N 3.29Å; I59-S61 PolarHBondContact O-N 2.81Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-L62 VanDerWaalsContact O-N 3.11Å; I59-W63 HydrophobicContact CD1-CZ2 3.68Å; I59-W63 HydrophobicContact CG1-CH2 4.31Å; I59-W63 HydrophobicContact CG1-CZ2 3.57Å; I59-W63 PolarHBondContact O-N 3.47Å; I59-A95 HydrophobicContact CD1-CB 3.76Å |
| 60 | R | 84.2 | Confident | 78.9 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 174.5 | -62.7 | -176 | -167.1 | -102.1 | 16.2 | 111.4 | E44 Y48 N56 Q57 L62 W63 S64 Q96 | E44-R60 IonicContact OE1-NH2 3.41Å; E44-R60 PolarHBondContact OE1-NH2 2.91Å; Y48-R60 PolarHBondContact OH-NH2 3.25Å; N56-R60 PolarHBondContact O-N 3.44Å; Q57-R60 PolarHBondContact O-N 2.9Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-W63 PolarHBondContact O-N 3.05Å; R60-S64 PolarHBondContact O-N 2.88Å; R60-S64 PolarHBondContact O-OG 2.86Å; R60-Q96 VanDerWaalsContact NE-OE1 3.09Å; R60-Q96 VanDerWaalsContact NH2-CD 3.26Å |
| 61 | S | 86.3 | Confident | 80.6 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 54% | 0.538 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.8 | -35.1 | 174.6 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | Q57 S58 I59 S64 | Q57-S61 PolarHBondContact O-N 3.05Å; S58-S61 PolarHBondContact O-N 3.27Å; S58-S61 PolarHBondContact O-OG 3.31Å; I59-S61 VanDerWaalsContact C-N 3.29Å; I59-S61 PolarHBondContact O-N 2.81Å; S61-S64 PolarHBondContact O-N 3.4Å |
| 62 | L | 90.8 | Very high | 82.5 | Confident | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.4 | -48.9 | 173.9 | -175.8 | 64.1 | 0 | 0 | 0 | 111.2 | S58 I59 R60 S64 T65 G68 | S58-L62 PolarHBondContact O-N 2.94Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-L62 VanDerWaalsContact O-N 3.11Å; R60-L62 VanDerWaalsContact C-N 3.34Å; L62-S64 PolarHBondContact O-N 3.37Å; L62-S64 VanDerWaalsContact O-N 3.07Å; L62-T65 PolarHBondContact O-N 3.32Å; L62-T65 PolarHBondContact O-OG1 2.88Å; L62-G68 WeakPolarHBondContact O-CA 3.49Å |
| 63 | W | 90.4 | Very high | 84.3 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.4 | -12.1 | 177.5 | -54.7 | 154.1 | 0 | 0 | 0 | 114.5 | I59 R60 T65 G68 I71 A72 A95 M97 L100 | I59-W63 HydrophobicContact CD1-CZ2 3.68Å; I59-W63 HydrophobicContact CG1-CH2 4.31Å; I59-W63 HydrophobicContact CG1-CZ2 3.57Å; I59-W63 PolarHBondContact O-N 3.47Å; R60-W63 PolarHBondContact O-N 3.05Å; W63-T65 VanDerWaalsContact C-N 3.28Å; W63-G68 VanDerWaalsContact CE3-O 3.29Å; W63-G68 VanDerWaalsContact CZ3-O 3.25Å; W63-G68 WeakPolarHBondContact CZ3-O 3.46Å; W63-I71 HydrophobicContact CZ3-CG2 4.41Å; W63-A72 HydrophobicContact CD2-CB 4.48Å; W63-A72 HydrophobicContact CE3-CB 3.89Å; W63-A72 HydrophobicContact CH2-CB 4.03Å; W63-A72 HydrophobicContact CZ3-CB 3.65Å; W63-A95 HydrophobicContact CZ2-CB 4.32Å; W63-A95 PolarHBondContact NE1-O 2.88Å; W63-M97 HydrophobicContact CH2-CE 3.73Å; W63-M97 HydrophobicContact CZ2-CE 3.33Å; W63-M97 HydrophobicContact CZ2-CG 4.37Å; W63-L100 HydrophobicContact CB-CD1 3.87Å; W63-L100 HydrophobicContact CB-CD2 3.79Å; W63-L100 HydrophobicContact CD2-CD1 3.98Å; W63-L100 HydrophobicContact CG-CD1 3.57Å; W63-L100 HydrophobicContact CG-CD2 4.31Å |
| 64 | S | 87.5 | Confident | 86.1 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.9 | 172.1 | -54.3 | 0 | 0 | 0 | 0 | 113.1 | R60 S61 L62 | R60-S64 PolarHBondContact O-N 2.88Å; R60-S64 PolarHBondContact O-OG 2.86Å; S61-S64 PolarHBondContact O-N 3.4Å; L62-S64 PolarHBondContact O-N 3.37Å; L62-S64 VanDerWaalsContact O-N 3.07Å |
| 65 | T | 91.8 | Very high | 87.9 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -108.8 | 152.4 | 176 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | L62 W63 G68 L69 | L62-T65 PolarHBondContact O-N 3.32Å; L62-T65 PolarHBondContact O-OG1 2.88Å; W63-T65 VanDerWaalsContact C-N 3.28Å; T65-G68 PolarHBondContact O-N 3.15Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.38Å; T65-L69 PolarHBondContact O-N 2.98Å |
| 66 | E | 91.9 | Very high | 89.3 | Confident | 145 Ų | 145 | 57.9 Ų | 57.9 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.3 | -49.2 | 176.2 | -176 | 173.1 | -171.2 | 0 | 0 | 111.7 | G68 L69 I70 | E66-G68 PolarHBondContact O-N 2.98Å; E66-L69 PolarHBondContact O-N 2.95Å; E66-L69 VanDerWaalsContact O-N 3.15Å; E66-I70 HydrophobicContact CG-CD1 4.28Å; E66-I70 WeakPolarHBondContact O-CG1 3.42Å; E66-I70 PolarHBondContact O-N 3.48Å |
| 67 | D | 92.2 | Very high | 90.4 | Very high | 116 Ų | 116 | 56.3 Ų | 56.3 | 62% | 0.62 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56 | -39.3 | 174 | -69.2 | -29 | 0 | 0 | 0 | 112.2 | I70 I71 | D67-I70 PolarHBondContact O-N 3.41Å; D67-I71 WeakPolarHBondContact O-CD1 3.28Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.19Å; D67-I71 PolarHBondContact O-N 3.18Å |
| 68 | G | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L62 W63 T65 E66 I70 I71 A72 | L62-G68 WeakPolarHBondContact O-CA 3.49Å; W63-G68 VanDerWaalsContact CE3-O 3.29Å; W63-G68 VanDerWaalsContact CZ3-O 3.25Å; W63-G68 WeakPolarHBondContact CZ3-O 3.46Å; T65-G68 PolarHBondContact O-N 3.15Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.38Å; E66-G68 PolarHBondContact O-N 2.98Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.96Å; G68-I71 PolarHBondContact O-N 2.94Å; G68-A72 WeakPolarHBondContact O-CB 3.24Å; G68-A72 PolarHBondContact O-N 3.06Å |
| 69 | L | 93.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 173.2 | -69 | 175.5 | 0 | 0 | 0 | 111.7 | T65 E66 A72 S73 L100 L103 | T65-L69 PolarHBondContact O-N 2.98Å; E66-L69 PolarHBondContact O-N 2.95Å; E66-L69 VanDerWaalsContact O-N 3.15Å; L69-A72 PolarHBondContact O-N 2.69Å; L69-S73 VanDerWaalsContact O-CB 3.28Å; L69-S73 WeakPolarHBondContact O-CB 3.21Å; L69-S73 PolarHBondContact O-N 2.99Å; L69-S73 PolarHBondContact O-OG 3.33Å; L69-L100 HydrophobicContact CD2-CB 4.27Å; L69-L100 HydrophobicContact CD2-CD1 4.48Å; L69-L100 HydrophobicContact CD2-CD2 4.3Å; L69-L103 HydrophobicContact CB-CD1 3.9Å |
| 70 | I | 93.5 | Very high | 92.1 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 172.7 | -65.5 | 164.8 | 0 | 0 | 0 | 110.3 | E66 D67 G68 S73 L74 L108 I111 L112 | E66-I70 HydrophobicContact CG-CD1 4.28Å; E66-I70 WeakPolarHBondContact O-CG1 3.42Å; E66-I70 PolarHBondContact O-N 3.48Å; D67-I70 PolarHBondContact O-N 3.41Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.96Å; I70-S73 PolarHBondContact O-N 3.19Å; I70-L74 HydrophobicContact CG2-CD1 4.01Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CB 3.3Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.47Å; I70-L74 PolarHBondContact O-N 2.95Å; I70-L108 HydrophobicContact CG2-CD2 4.06Å; I70-I111 HydrophobicContact CD1-CG2 3.85Å; I70-L112 HydrophobicContact CG2-CD1 4.16Å; I70-L112 HydrophobicContact CG2-CD2 4.24Å; I70-L112 HydrophobicContact CG2-CG 4.45Å |
| 71 | I | 94.2 | Very high | 92.4 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 177.6 | -70 | 162.3 | 0 | 0 | 0 | 111.7 | W63 D67 G68 S73 L74 L75 | W63-I71 HydrophobicContact CZ3-CG2 4.41Å; D67-I71 WeakPolarHBondContact O-CD1 3.28Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.19Å; D67-I71 PolarHBondContact O-N 3.18Å; G68-I71 PolarHBondContact O-N 2.94Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; I71-L74 PolarHBondContact O-N 3.16Å; I71-L75 WeakPolarHBondContact O-CB 3.35Å; I71-L75 PolarHBondContact O-N 3.32Å |
| 72 | A | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W63 G68 L69 L75 V76 M97 L100 L102 | W63-A72 HydrophobicContact CD2-CB 4.48Å; W63-A72 HydrophobicContact CE3-CB 3.89Å; W63-A72 HydrophobicContact CH2-CB 4.03Å; W63-A72 HydrophobicContact CZ3-CB 3.65Å; G68-A72 WeakPolarHBondContact O-CB 3.24Å; G68-A72 PolarHBondContact O-N 3.06Å; L69-A72 PolarHBondContact O-N 2.69Å; A72-L75 PolarHBondContact O-N 2.93Å; A72-V76 VanDerWaalsContact O-CG2 3.28Å; A72-V76 WeakPolarHBondContact O-CG2 3.46Å; A72-V76 PolarHBondContact O-N 3.12Å; A72-M97 HydrophobicContact CB-CE 4.47Å; A72-L100 HydrophobicContact CB-CD1 4.47Å; A72-L102 HydrophobicContact CB-CD2 3.74Å |
| 73 | S | 93.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.8 | -37.9 | -177.1 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | L69 I70 I71 V76 D77 L103 | L69-S73 VanDerWaalsContact O-CB 3.28Å; L69-S73 WeakPolarHBondContact O-CB 3.21Å; L69-S73 PolarHBondContact O-N 2.99Å; L69-S73 PolarHBondContact O-OG 3.33Å; I70-S73 PolarHBondContact O-N 3.19Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; S73-V76 PolarHBondContact O-N 3.32Å; S73-D77 WeakPolarHBondContact O-CB 3.49Å; S73-D77 PolarHBondContact O-N 2.88Å; S73-L103 PolarHBondContact OG-N 3.34Å |
| 74 | L | 94.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 171.3 | -77.6 | 172.7 | 0 | 0 | 0 | 112.7 | I70 I71 F78 L108 L112 V123 L124 L127 | I70-L74 HydrophobicContact CG2-CD1 4.01Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CB 3.3Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.47Å; I70-L74 PolarHBondContact O-N 2.95Å; I71-L74 PolarHBondContact O-N 3.16Å; L74-F78 WeakPolarHBondContact O-CB 3.23Å; L74-F78 PolarHBondContact O-N 3.3Å; L74-L108 HydrophobicContact CD2-CD1 4.39Å; L74-L108 HydrophobicContact CD2-CD2 4.49Å; L74-L108 HydrophobicContact CG-CD2 4.29Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.77Å; L74-L112 HydrophobicContact CG-CD1 4.18Å; L74-V123 HydrophobicContact CD2-CB 3.82Å; L74-V123 HydrophobicContact CD2-CG1 3.68Å; L74-L124 HydrophobicContact CD1-CD1 4.45Å; L74-L124 HydrophobicContact CD2-CB 4.43Å; L74-L127 HydrophobicContact CD1-CD2 4.33Å |
| 75 | L | 94.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 60.5 Ų | 60.5 | 29% | 0.288 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 178.5 | -174.2 | 57.6 | 0 | 0 | 0 | 111.4 | I71 A72 F78 M79 L91 M97 | I71-L75 WeakPolarHBondContact O-CB 3.35Å; I71-L75 PolarHBondContact O-N 3.32Å; A72-L75 PolarHBondContact O-N 2.93Å; L75-F78 PolarHBondContact O-N 2.96Å; L75-M79 HydrophobicContact CD1-CE 3.98Å; L75-M79 HydrophobicContact CG-CE 4.27Å; L75-M79 WeakPolarHBondContact O-CG 3.48Å; L75-M79 PolarHBondContact O-N 3.06Å; L75-L91 HydrophobicContact CD2-CD1 4.31Å; L75-L91 HydrophobicContact CD2-CD2 3.54Å; L75-L91 HydrophobicContact CG-CD2 3.78Å; L75-M97 HydrophobicContact CD2-CE 4.24Å |
| 76 | V | 94 | Very high | 93.2 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | A72 S73 F78 M79 N80 L88 M97 L102 | A72-V76 VanDerWaalsContact O-CG2 3.28Å; A72-V76 WeakPolarHBondContact O-CG2 3.46Å; A72-V76 PolarHBondContact O-N 3.12Å; S73-V76 PolarHBondContact O-N 3.32Å; V76-F78 VanDerWaalsContact C-N 3.35Å; V76-F78 PolarHBondContact O-N 3.27Å; V76-M79 PolarHBondContact O-N 3.49Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.2Å; V76-N80 WeakPolarHBondContact O-CB 3.42Å; V76-N80 PolarHBondContact O-N 3.43Å; V76-N80 PolarHBondContact O-ND2 3.44Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å; V76-L88 HydrophobicContact CB-CD1 4.35Å; V76-L88 HydrophobicContact CG1-CD1 4.2Å; V76-L88 HydrophobicContact CG1-CD2 4.47Å; V76-L88 HydrophobicContact CG2-CD1 3.93Å; V76-M97 HydrophobicContact CG2-SD 4.23Å; V76-L102 HydrophobicContact CB-CD1 4.41Å; V76-L102 HydrophobicContact CG1-CD1 4.22Å; V76-L102 HydrophobicContact CG2-CD1 3.9Å |
| 77 | D | 93 | Very high | 93.3 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 172.4 | 174.9 | 82.8 | 0 | 0 | 0 | 111.4 | S73 N80 M81 R105 L108 P122 V123 | S73-D77 WeakPolarHBondContact O-CB 3.49Å; S73-D77 PolarHBondContact O-N 2.88Å; D77-N80 PolarHBondContact O-N 3.19Å; D77-M81 WeakPolarHBondContact O-CB 3.45Å; D77-M81 PolarHBondContact O-N 3.39Å; D77-R105 WeakPolarHBondContact OD1-CD 3.48Å; D77-R105 IonicContact OD1-NE 2.81Å; D77-L108 HydrophobicContact CB-CD1 4.48Å; D77-P122 VanDerWaalsContact OD2-CA 3.3Å; D77-P122 WeakPolarHBondContact OD2-CA 3.34Å; D77-V123 PolarHBondContact OD2-N 3Å |
| 78 | F | 94.4 | Very high | 93.4 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 176.4 | 179.1 | -93.5 | 0 | 0 | 0 | 112.4 | L74 L75 V76 N80 M81 M82 P122 L124 | L74-F78 WeakPolarHBondContact O-CB 3.23Å; L74-F78 PolarHBondContact O-N 3.3Å; L75-F78 PolarHBondContact O-N 2.96Å; V76-F78 VanDerWaalsContact C-N 3.35Å; V76-F78 PolarHBondContact O-N 3.27Å; F78-N80 VanDerWaalsContact C-N 3.34Å; F78-N80 PolarHBondContact O-N 3.41Å; F78-M81 PolarHBondContact O-N 3.41Å; F78-M82 HydrophobicContact CD1-CG 4.36Å; F78-M82 HydrophobicContact CD2-CG 4.37Å; F78-M82 HydrophobicContact CE1-CG 3.96Å; F78-M82 HydrophobicContact CE2-CG 3.97Å; F78-M82 HydrophobicContact CZ-CG 3.75Å; F78-M82 WeakPolarHBondContact O-CB 3.43Å; F78-M82 VanDerWaalsContact O-CG 3.28Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 2.98Å; F78-P122 HydrophobicContact CB-CB 4.28Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.72Å; F78-P122 HydrophobicContact CE2-CG 4.21Å; F78-L124 HydrophobicContact CD2-CD2 4.45Å |
| 79 | M | 94.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 54 Ų | 54 | 11% | 0.108 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | -179.6 | -71.3 | -166.8 | -179.6 | 0 | 0 | 112.7 | L75 V76 K83 L84 T87 L88 L91 | L75-M79 HydrophobicContact CD1-CE 3.98Å; L75-M79 HydrophobicContact CG-CE 4.27Å; L75-M79 WeakPolarHBondContact O-CG 3.48Å; L75-M79 PolarHBondContact O-N 3.06Å; V76-M79 PolarHBondContact O-N 3.49Å; M79-K83 PolarHBondContact O-N 3.01Å; M79-K83 VanDerWaalsContact O-N 3.14Å; M79-L84 HydrophobicContact CB-CB 4.36Å; M79-L84 PolarHBondContact O-N 3.47Å; M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.18Å; M79-L88 HydrophobicContact CB-CB 4.11Å; M79-L88 HydrophobicContact CB-CD1 4.26Å; M79-L88 HydrophobicContact SD-CB 4.07Å; M79-L88 HydrophobicContact SD-CD1 4.19Å; M79-L91 HydrophobicContact CE-CD2 3.57Å; M79-L91 HydrophobicContact SD-CB 4.45Å; M79-L91 HydrophobicContact SD-CD2 3.65Å |
| 80 | N | 92.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 54 Ų | 54 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 174.5 | -79.8 | -38.4 | 0 | 0 | 0 | 111.9 | V76 D77 F78 M82 K83 L88 | V76-N80 WeakPolarHBondContact CG1-ND2 3.2Å; V76-N80 WeakPolarHBondContact O-CB 3.42Å; V76-N80 PolarHBondContact O-N 3.43Å; V76-N80 PolarHBondContact O-ND2 3.44Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å; D77-N80 PolarHBondContact O-N 3.19Å; F78-N80 VanDerWaalsContact C-N 3.34Å; F78-N80 PolarHBondContact O-N 3.41Å; N80-M82 VanDerWaalsContact C-N 3.27Å; N80-M82 PolarHBondContact O-N 3.14Å; N80-K83 PolarHBondContact O-N 2.92Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.34Å |
| 81 | M | 91 | Very high | 93 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 178.3 | -169.9 | 65.4 | 70.2 | 0 | 0 | 111.9 | D77 F78 K83 S119 P122 | D77-M81 WeakPolarHBondContact O-CB 3.45Å; D77-M81 PolarHBondContact O-N 3.39Å; F78-M81 PolarHBondContact O-N 3.41Å; M81-K83 VanDerWaalsContact C-N 3.25Å; M81-K83 PolarHBondContact O-N 2.78Å; M81-S119 WeakPolarHBondContact CE-O 3.47Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.25Å |
| 82 | M | 92.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 52.9 Ų | 52.9 | 51% | 0.507 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 2.1 | 176.2 | -62.7 | -56.4 | -60.8 | 0 | 0 | 114 | F78 N80 L84 | F78-M82 HydrophobicContact CD1-CG 4.36Å; F78-M82 HydrophobicContact CD2-CG 4.37Å; F78-M82 HydrophobicContact CE1-CG 3.96Å; F78-M82 HydrophobicContact CE2-CG 3.97Å; F78-M82 HydrophobicContact CZ-CG 3.75Å; F78-M82 WeakPolarHBondContact O-CB 3.43Å; F78-M82 VanDerWaalsContact O-CG 3.28Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 2.98Å; N80-M82 VanDerWaalsContact C-N 3.27Å; N80-M82 PolarHBondContact O-N 3.14Å; M82-L84 HydrophobicContact CB-CD1 3.97Å; M82-L84 HydrophobicContact CB-CG 3.84Å; M82-L84 PolarHBondContact O-N 3.3Å |
| 83 | K | 92.1 | Very high | 92.5 | Very high | 176 Ų | 176 | 53.4 Ų | 53.4 | 77% | 0.765 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 31.8 | -178.6 | -55.1 | -176.9 | 179.9 | -178.4 | 0 | 114.4 | M79 N80 M81 E85 | M79-K83 PolarHBondContact O-N 3.01Å; M79-K83 VanDerWaalsContact O-N 3.14Å; N80-K83 PolarHBondContact O-N 2.92Å; M81-K83 VanDerWaalsContact C-N 3.25Å; M81-K83 PolarHBondContact O-N 2.78Å; K83-E85 PolarHBondContact O-N 2.93Å |
| 84 | L | 93.6 | Very high | 92.1 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | trans | -85.7 | 49.2 | -178.4 | -60.1 | 178.1 | 0 | 0 | 0 | 111.9 | M79 M82 N86 T87 L88 | M79-L84 HydrophobicContact CB-CB 4.36Å; M79-L84 PolarHBondContact O-N 3.47Å; M82-L84 HydrophobicContact CB-CD1 3.97Å; M82-L84 HydrophobicContact CB-CG 3.84Å; M82-L84 PolarHBondContact O-N 3.3Å; L84-N86 PolarHBondContact O-N 3.09Å; L84-N86 VanDerWaalsContact O-N 3.14Å; L84-T87 PolarHBondContact O-N 2.94Å; L84-T87 VanDerWaalsContact O-N 3.12Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.47Å | ||
| 85 | E | 93.1 | Very high | 91.8 | Very high | 101 Ų | 101 | 57.8 Ų | 57.8 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51.1 | -42.4 | -174.7 | -66.7 | -176.5 | -161.4 | 0 | 0 | 112.8 | K30 K83 L88 N89 | K30-E85 IonicContact NZ-OE2 2.63Å; K30-E85 PolarHBondContact NZ-OE2 2.9Å; K83-E85 PolarHBondContact O-N 2.93Å; E85-L88 PolarHBondContact O-N 2.88Å; E85-N89 WeakPolarHBondContact O-CB 3.27Å; E85-N89 PolarHBondContact O-N 3.3Å; E85-N89 PolarHBondContact O-ND2 2.86Å |
| 86 | N | 91.7 | Very high | 91.4 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -43.7 | -176.7 | -63.3 | -17.1 | 0 | 0 | 0 | 111.3 | P29 K30 A33 L84 V90 | P29-N86 WeakPolarHBondContact CB-ND2 3.28Å; K30-N86 VanDerWaalsContact CA-OD1 3.25Å; K30-N86 WeakPolarHBondContact CA-OD1 3.37Å; K30-N86 WeakPolarHBondContact CB-OD1 3.42Å; K30-N86 WeakPolarHBondContact CG-OD1 3.3Å; K30-N86 PolarHBondContact N-ND2 3.27Å; A33-N86 HydrophobicContact CB-CB 3.82Å; L84-N86 PolarHBondContact O-N 3.09Å; L84-N86 VanDerWaalsContact O-N 3.14Å; N86-V90 WeakPolarHBondContact O-CG2 3.41Å; N86-V90 PolarHBondContact O-N 3.35Å |
| 87 | T | 93.5 | Very high | 91.1 | Very high | 73 Ų | 73 | 55.7 Ų | 55.7 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 175.4 | -47 | 0 | 0 | 0 | 0 | 111.2 | M79 L84 V90 L91 | M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.18Å; L84-T87 PolarHBondContact O-N 2.94Å; L84-T87 VanDerWaalsContact O-N 3.12Å; T87-V90 PolarHBondContact O-N 3.48Å; T87-L91 WeakPolarHBondContact O-CB 3.26Å; T87-L91 PolarHBondContact O-N 3.49Å |
| 88 | L | 94.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 178 | 178.1 | 58.6 | 0 | 0 | 0 | 111.7 | V76 M79 N80 L84 E85 V90 L91 M92 | V76-L88 HydrophobicContact CB-CD1 4.35Å; V76-L88 HydrophobicContact CG1-CD1 4.2Å; V76-L88 HydrophobicContact CG1-CD2 4.47Å; V76-L88 HydrophobicContact CG2-CD1 3.93Å; M79-L88 HydrophobicContact CB-CB 4.11Å; M79-L88 HydrophobicContact CB-CD1 4.26Å; M79-L88 HydrophobicContact SD-CB 4.07Å; M79-L88 HydrophobicContact SD-CD1 4.19Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.34Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.47Å; E85-L88 PolarHBondContact O-N 2.88Å; L88-V90 PolarHBondContact O-N 2.63Å; L88-L91 PolarHBondContact O-N 3.31Å; L88-M92 HydrophobicContact CD1-CG 3.95Å; L88-M92 HydrophobicContact CD1-SD 4.19Å; L88-M92 HydrophobicContact CG-CG 4.39Å; L88-M92 HydrophobicContact CG-SD 4.24Å; L88-M92 WeakPolarHBondContact O-CB 3.49Å; L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.29Å; L88-M92 PolarHBondContact O-N 2.85Å |
| 89 | N | 91 | Very high | 90.2 | Very high | 58 Ų | 58 | 64.5 Ų | 64.5 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 177.3 | -78.5 | -60.9 | 0 | 0 | 0 | 111.9 | E85 M92 D93 | E85-N89 WeakPolarHBondContact O-CB 3.27Å; E85-N89 PolarHBondContact O-N 3.3Å; E85-N89 PolarHBondContact O-ND2 2.86Å; N89-M92 PolarHBondContact O-N 3.45Å; N89-D93 PolarHBondContact O-N 2.88Å |
| 90 | V | 90.7 | Very high | 89.8 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.3 | 175 | 0 | 0 | 0 | 0 | 111 | A33 N86 T87 L88 M92 D93 E94 | A33-V90 HydrophobicContact CB-CG2 4.01Å; N86-V90 WeakPolarHBondContact O-CG2 3.41Å; N86-V90 PolarHBondContact O-N 3.35Å; T87-V90 PolarHBondContact O-N 3.48Å; L88-V90 PolarHBondContact O-N 2.63Å; V90-M92 VanDerWaalsContact C-N 3.34Å; V90-M92 PolarHBondContact O-N 2.66Å; V90-D93 PolarHBondContact O-N 2.91Å; V90-E94 WeakPolarHBondContact O-CB 3.26Å; V90-E94 PolarHBondContact O-N 2.81Å |
| 91 | L | 91.3 | Very high | 89.7 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 176.2 | 174.3 | 69.7 | 0 | 0 | 0 | 111.6 | L75 M79 T87 L88 D93 E94 A95 M97 | L75-L91 HydrophobicContact CD2-CD1 4.31Å; L75-L91 HydrophobicContact CD2-CD2 3.54Å; L75-L91 HydrophobicContact CG-CD2 3.78Å; M79-L91 HydrophobicContact CE-CD2 3.57Å; M79-L91 HydrophobicContact SD-CB 4.45Å; M79-L91 HydrophobicContact SD-CD2 3.65Å; T87-L91 WeakPolarHBondContact O-CB 3.26Å; T87-L91 PolarHBondContact O-N 3.49Å; L88-L91 PolarHBondContact O-N 3.31Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.42Å; L91-E94 PolarHBondContact O-N 3.31Å; L91-A95 HydrophobicContact CD1-CB 3.97Å; L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 2.79Å; L91-M97 HydrophobicContact CD1-CE 4.06Å; L91-M97 HydrophobicContact CD2-CE 4.03Å; L91-M97 HydrophobicContact CD2-SD 4.28Å; L91-M97 HydrophobicContact CG-CE 3.98Å; L91-M97 HydrophobicContact CG-SD 4.22Å |
| 92 | M | 90.5 | Very high | 89.6 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 21% | 0.207 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.6 | -31.2 | -177.6 | -74.3 | -173.1 | 79.3 | 0 | 0 | 112.9 | L88 N89 V90 Q96 M97 K98 L102 | L88-M92 HydrophobicContact CD1-CG 3.95Å; L88-M92 HydrophobicContact CD1-SD 4.19Å; L88-M92 HydrophobicContact CG-CG 4.39Å; L88-M92 HydrophobicContact CG-SD 4.24Å; L88-M92 WeakPolarHBondContact O-CB 3.49Å; L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.29Å; L88-M92 PolarHBondContact O-N 2.85Å; N89-M92 PolarHBondContact O-N 3.45Å; V90-M92 VanDerWaalsContact C-N 3.34Å; V90-M92 PolarHBondContact O-N 2.66Å; M92-Q96 CarbonylContact O-C 3.52Å; M92-Q96 WeakPolarHBondContact O-CA 3.44Å; M92-Q96 PolarHBondContact O-N 3.12Å; M92-M97 HydrophobicContact CB-CB 4.49Å; M92-M97 HydrophobicContact CG-CB 4.34Å; M92-M97 PolarHBondContact O-N 3.45Å; M92-K98 HydrophobicContact CB-CG 4.13Å; M92-K98 HydrophobicContact CE-CG 4.42Å; M92-L102 HydrophobicContact CE-CD1 4.49Å |
| 93 | D | 86.1 | Confident | 89.5 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -77.6 | -53.5 | 171.1 | -82.2 | -60.5 | 0 | 0 | 0 | 112.2 | A37 Y40 N89 V90 L91 A95 Q96 K98 | A37-D93 HydrophobicContact CB-CB 4.44Å; A37-D93 VanDerWaalsContact CB-OD2 3.24Å; A37-D93 WeakPolarHBondContact CB-OD2 3.4Å; Y40-D93 HydrophobicContact CD1-CB 4.26Å; Y40-D93 WeakPolarHBondContact CE1-O 3.16Å; N89-D93 PolarHBondContact O-N 2.88Å; V90-D93 PolarHBondContact O-N 2.91Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.42Å; D93-A95 PolarHBondContact O-N 2.77Å; D93-Q96 PolarHBondContact O-N 3.14Å; D93-K98 VanDerWaalsContact CG-CE 3.42Å; D93-K98 WeakPolarHBondContact OD1-CE 3.39Å; D93-K98 IonicContact OD1-NZ 3.82Å; D93-K98 PolarHBondContact OD1-NZ 2.94Å; D93-K98 WeakPolarHBondContact OD2-CE 3.5Å; D93-K98 IonicContact OD2-NZ 2.66Å; D93-K98 PolarHBondContact OD2-NZ 3.39Å |
| 94 | E | 86 | Confident | 89.2 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | -175.4 | -172.7 | 175.2 | 177.7 | 0 | 0 | 112.1 | Y40 N56 V90 L91 Q96 | Y40-E94 PolarHBondContact OH-O 3.35Å; N56-E94 PolarHBondContact ND2-O 3.32Å; V90-E94 WeakPolarHBondContact O-CB 3.26Å; V90-E94 PolarHBondContact O-N 2.81Å; L91-E94 PolarHBondContact O-N 3.31Å; E94-Q96 VanDerWaalsContact C-N 3.35Å |
| 95 | A | 87.6 | Confident | 88.9 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | I59 W63 L91 D93 M97 | I59-A95 HydrophobicContact CD1-CB 3.76Å; W63-A95 HydrophobicContact CZ2-CB 4.32Å; W63-A95 PolarHBondContact NE1-O 2.88Å; L91-A95 HydrophobicContact CD1-CB 3.97Å; L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 2.79Å; D93-A95 PolarHBondContact O-N 2.77Å; A95-M97 HydrophobicContact CB-CE 3.73Å; A95-M97 HydrophobicContact CB-CG 3.99Å; A95-M97 HydrophobicContact CB-SD 4.45Å; A95-M97 PolarHBondContact O-N 3.32Å |
| 96 | Q | 85.5 | Confident | 88.5 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 34.3 | 176 | -68.1 | 148.1 | -11.3 | 0 | 0 | 114.2 | E44 R60 M92 D93 E94 K98 | E44-Q96 PolarHBondContact OE1-NE2 2.87Å; R60-Q96 VanDerWaalsContact NE-OE1 3.09Å; R60-Q96 VanDerWaalsContact NH2-CD 3.26Å; M92-Q96 CarbonylContact O-C 3.52Å; M92-Q96 WeakPolarHBondContact O-CA 3.44Å; M92-Q96 PolarHBondContact O-N 3.12Å; D93-Q96 PolarHBondContact O-N 3.14Å; E94-Q96 VanDerWaalsContact C-N 3.35Å; Q96-K98 VanDerWaalsContact C-N 3.33Å; Q96-K98 PolarHBondContact O-N 3.23Å |
| 97 | M | 87.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -78.6 | -12 | -177.3 | -59.2 | 178.9 | -179.6 | 0 | 0 | 114.1 | W63 A72 L75 V76 L91 M92 A95 H99 L100 | W63-M97 HydrophobicContact CH2-CE 3.73Å; W63-M97 HydrophobicContact CZ2-CE 3.33Å; W63-M97 HydrophobicContact CZ2-CG 4.37Å; A72-M97 HydrophobicContact CB-CE 4.47Å; L75-M97 HydrophobicContact CD2-CE 4.24Å; V76-M97 HydrophobicContact CG2-SD 4.23Å; L91-M97 HydrophobicContact CD1-CE 4.06Å; L91-M97 HydrophobicContact CD2-CE 4.03Å; L91-M97 HydrophobicContact CD2-SD 4.28Å; L91-M97 HydrophobicContact CG-CE 3.98Å; L91-M97 HydrophobicContact CG-SD 4.22Å; M92-M97 HydrophobicContact CB-CB 4.49Å; M92-M97 HydrophobicContact CG-CB 4.34Å; M92-M97 PolarHBondContact O-N 3.45Å; A95-M97 HydrophobicContact CB-CE 3.73Å; A95-M97 HydrophobicContact CB-CG 3.99Å; A95-M97 HydrophobicContact CB-SD 4.45Å; A95-M97 PolarHBondContact O-N 3.32Å; M97-H99 PolarHBondContact O-N 3.14Å; M97-L100 HydrophobicContact CB-CD1 3.97Å; M97-L100 HydrophobicContact CG-CD1 4.01Å; M97-L100 WeakPolarHBondContact O-CB 3.32Å; M97-L100 PolarHBondContact O-N 3.14Å |
| 98 | K | 84.2 | Confident | 88.1 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -57.1 | -18.2 | -174.5 | -75.8 | -174.6 | 172.2 | 172.2 | 0 | 116.1 | M92 D93 Q96 | M92-K98 HydrophobicContact CB-CG 4.13Å; M92-K98 HydrophobicContact CE-CG 4.42Å; D93-K98 VanDerWaalsContact CG-CE 3.42Å; D93-K98 WeakPolarHBondContact OD1-CE 3.39Å; D93-K98 IonicContact OD1-NZ 3.82Å; D93-K98 PolarHBondContact OD1-NZ 2.94Å; D93-K98 WeakPolarHBondContact OD2-CE 3.5Å; D93-K98 IonicContact OD2-NZ 2.66Å; D93-K98 PolarHBondContact OD2-NZ 3.39Å; Q96-K98 VanDerWaalsContact C-N 3.33Å; Q96-K98 PolarHBondContact O-N 3.23Å |
| 99 | H | 83.6 | Confident | 87.6 | Confident | 182 Ų | 182 | 65 Ų | 65 | 84% | 0.843 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -114.4 | 9.7 | -179.9 | -57.4 | -53.4 | 0 | 0 | 0 | 113.2 | M97 | M97-H99 PolarHBondContact O-N 3.14Š|
| 100 | L | 88 | Confident | 87.3 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -85.8 | 139.1 | 176.7 | -58.4 | 178.1 | 0 | 0 | 0 | 110.7 | W63 L69 A72 M97 L102 | W63-L100 HydrophobicContact CB-CD1 3.87Å; W63-L100 HydrophobicContact CB-CD2 3.79Å; W63-L100 HydrophobicContact CD2-CD1 3.98Å; W63-L100 HydrophobicContact CG-CD1 3.57Å; W63-L100 HydrophobicContact CG-CD2 4.31Å; L69-L100 HydrophobicContact CD2-CB 4.27Å; L69-L100 HydrophobicContact CD2-CD1 4.48Å; L69-L100 HydrophobicContact CD2-CD2 4.3Å; A72-L100 HydrophobicContact CB-CD1 4.47Å; M97-L100 HydrophobicContact CB-CD1 3.97Å; M97-L100 HydrophobicContact CG-CD1 4.01Å; M97-L100 WeakPolarHBondContact O-CB 3.32Å; M97-L100 PolarHBondContact O-N 3.14Å; L100-L102 HydrophobicContact CB-CD2 4.22Å; L100-L102 HydrophobicContact CB-CG 4.37Å; L100-L102 PolarHBondContact O-N 2.89Å |
| 101 | E | 89.1 | Confident | 87.1 | Confident | 180 Ų | 180 | 68 Ų | 68 | 84% | 0.841 | 34% | 0.341 | S | S | * | . | trans | -77 | 79.1 | 168.4 | -65.6 | -173.9 | -178.2 | 0 | 0 | 109.3 | ||||
| 102 | L | 89.3 | Confident | 86.8 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 142.6 | 177.8 | -62.5 | 171.6 | 0 | 0 | 0 | 110.8 | A72 V76 M92 L100 | A72-L102 HydrophobicContact CB-CD2 3.74Å; V76-L102 HydrophobicContact CB-CD1 4.41Å; V76-L102 HydrophobicContact CG1-CD1 4.22Å; V76-L102 HydrophobicContact CG2-CD1 3.9Å; M92-L102 HydrophobicContact CE-CD1 4.49Å; L100-L102 HydrophobicContact CB-CD2 4.22Å; L100-L102 HydrophobicContact CB-CG 4.37Å; L100-L102 PolarHBondContact O-N 2.89Å |
| 103 | L | 89.6 | Confident | 86.1 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 20% | 0.199 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 127.4 | -179.6 | -70.3 | 82.6 | 0 | 0 | 0 | 110.3 | L69 S73 K107 L108 I111 | L69-L103 HydrophobicContact CB-CD1 3.9Å; S73-L103 PolarHBondContact OG-N 3.34Å; L103-K107 HydrophobicContact CB-CB 4.25Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; L103-L108 HydrophobicContact CB-CD2 4.2Å; L103-L108 HydrophobicContact CB-CG 4.05Å; L103-I111 HydrophobicContact CD2-CD1 3.34Å |
| 104 | D | 87 | Confident | 85.6 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 153.8 | 170.2 | -53.5 | -71.1 | 0 | 0 | 0 | 111.5 | D106 K107 L108 | D104-D106 PolarHBondContact O-N 3.36Å; D104-D106 VanDerWaalsContact O-N 3.16Å; D104-K107 HydrophobicContact CB-CD 4.26Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.36Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 2.72Å; D104-K107 VanDerWaalsContact OD2-CE 3.25Å; D104-K107 WeakPolarHBondContact OD2-CE 3.5Å; D104-K107 IonicContact OD2-NZ 2.69Å; D104-K107 PolarHBondContact OD2-NZ 3.37Å; D104-L108 PolarHBondContact O-N 2.88Å |
| 105 | R | 85.9 | Confident | 84.7 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -52.4 | -40.6 | -179.2 | -168.8 | 177.6 | -179.8 | -153.9 | 0.7 | 113.3 | D77 K107 L108 M109 S118 S119 S121 V123 | D77-R105 WeakPolarHBondContact OD1-CD 3.48Å; D77-R105 IonicContact OD1-NE 2.81Å; R105-K107 VanDerWaalsContact C-N 3.35Å; R105-K107 PolarHBondContact O-N 2.75Å; R105-L108 WeakPolarHBondContact O-CB 3.48Å; R105-L108 PolarHBondContact O-N 2.94Å; R105-M109 WeakPolarHBondContact O-CB 3.37Å; R105-M109 WeakPolarHBondContact O-CG 3.31Å; R105-M109 PolarHBondContact O-N 2.78Å; R105-S118 PolarHBondContact NH2-O 3.45Å; R105-S119 PolarHBondContact NH1-O 3Å; R105-S119 PolarHBondContact NH2-O 3.37Å; R105-S121 PolarHBondContact NH2-O 3.3Å; R105-V123 HydrophobicContact CG-CG2 3.66Å |
| 106 | D | 85 | Confident | 83.6 | Confident | 133 Ų | 133 | 76 Ų | 76 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.6 | -34.3 | 179 | -60.6 | -35.8 | 0 | 0 | 0 | 112.4 | D104 A110 | D104-D106 PolarHBondContact O-N 3.36Å; D104-D106 VanDerWaalsContact O-N 3.16Å; D106-A110 WeakPolarHBondContact O-CB 3.29Å; D106-A110 PolarHBondContact O-N 3.4Å |
| 107 | K | 87.9 | Confident | 82.6 | Confident | 112 Ų | 112 | 81.7 Ų | 81.7 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 174 | -64.3 | 170.5 | -179.8 | 157.6 | 0 | 110.8 | L103 D104 R105 M109 A110 I111 | L103-K107 HydrophobicContact CB-CB 4.25Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; D104-K107 HydrophobicContact CB-CD 4.26Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.36Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 2.72Å; D104-K107 VanDerWaalsContact OD2-CE 3.25Å; D104-K107 WeakPolarHBondContact OD2-CE 3.5Å; D104-K107 IonicContact OD2-NZ 2.69Å; D104-K107 PolarHBondContact OD2-NZ 3.37Å; R105-K107 VanDerWaalsContact C-N 3.35Å; R105-K107 PolarHBondContact O-N 2.75Å; K107-M109 VanDerWaalsContact C-N 3.35Å; K107-M109 PolarHBondContact O-N 2.95Å; K107-A110 PolarHBondContact O-N 3.16Å; K107-I111 WeakPolarHBondContact O-CG1 3.27Å; K107-I111 PolarHBondContact O-N 2.92Å |
| 108 | L | 88.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.005 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 174.1 | -75.9 | 173.2 | 0 | 0 | 0 | 112 | I70 L74 D77 L103 D104 R105 A110 I111 L112 V123 | I70-L108 HydrophobicContact CG2-CD2 4.06Å; L74-L108 HydrophobicContact CD2-CD1 4.39Å; L74-L108 HydrophobicContact CD2-CD2 4.49Å; L74-L108 HydrophobicContact CG-CD2 4.29Å; D77-L108 HydrophobicContact CB-CD1 4.48Å; L103-L108 HydrophobicContact CB-CD2 4.2Å; L103-L108 HydrophobicContact CB-CG 4.05Å; D104-L108 PolarHBondContact O-N 2.88Å; R105-L108 WeakPolarHBondContact O-CB 3.48Å; R105-L108 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.47Å; L108-I111 PolarHBondContact O-N 3.3Å; L108-L112 HydrophobicContact CD2-CD1 4.38Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.41Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 2.83Å; L108-V123 HydrophobicContact CB-CG1 4.3Å |
| 109 | M | 84.9 | Confident | 81.1 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 21% | 0.207 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68 | -23.6 | 177.3 | -67.2 | -71.8 | -59.8 | 0 | 0 | 113.3 | R105 K107 T114 N117 V123 | R105-M109 WeakPolarHBondContact O-CB 3.37Å; R105-M109 WeakPolarHBondContact O-CG 3.31Å; R105-M109 PolarHBondContact O-N 2.78Å; K107-M109 VanDerWaalsContact C-N 3.35Å; K107-M109 PolarHBondContact O-N 2.95Å; M109-T114 WeakPolarHBondContact CE-OG1 3.44Å; M109-T114 HydrophobicContact SD-CG2 4.31Å; M109-T114 PolarHBondContact SD-OG1 3.12Å; M109-T114 VanDerWaalsContact SD-OG1 3.38Å; M109-N117 HydrophobicContact CE-CB 4.19Å; M109-V123 HydrophobicContact CG-CG2 4.13Å; M109-V123 HydrophobicContact SD-CB 4.4Å; M109-V123 HydrophobicContact SD-CG1 3.89Å; M109-V123 HydrophobicContact SD-CG2 3.87Å |
| 110 | A | 85.4 | Confident | 80.9 | Confident | 86 Ų | 86 | 80.6 Ų | 80.6 | 71% | 0.711 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -80.8 | -31.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D106 K107 L108 | D106-A110 WeakPolarHBondContact O-CB 3.29Å; D106-A110 PolarHBondContact O-N 3.4Å; K107-A110 PolarHBondContact O-N 3.16Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.47Å |
| 111 | I | 85.7 | Confident | 80.8 | Confident | 80 Ų | 80 | 79.2 Ų | 79.2 | 41% | 0.41 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -84 | -39.4 | 179.2 | -65.5 | 164 | 0 | 0 | 0 | 111.2 | I70 L103 K107 L108 | I70-I111 HydrophobicContact CD1-CG2 3.85Å; L103-I111 HydrophobicContact CD2-CD1 3.34Å; K107-I111 WeakPolarHBondContact O-CG1 3.27Å; K107-I111 PolarHBondContact O-N 2.92Å; L108-I111 PolarHBondContact O-N 3.3Å |
| 112 | L | 85.4 | Confident | 80.8 | Confident | 26 Ų | 26 | 71.1 Ų | 71.1 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -95.3 | 128 | -175.1 | -63.7 | 169.3 | 0 | 0 | 0 | 111.4 | I70 L74 L108 T114 V123 L127 | I70-L112 HydrophobicContact CG2-CD1 4.16Å; I70-L112 HydrophobicContact CG2-CD2 4.24Å; I70-L112 HydrophobicContact CG2-CG 4.45Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.77Å; L74-L112 HydrophobicContact CG-CD1 4.18Å; L108-L112 HydrophobicContact CD2-CD1 4.38Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.41Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 2.83Å; L112-T114 HydrophobicContact CB-CG2 4.25Å; L112-T114 PolarHBondContact O-N 2.83Å; L112-T114 PolarHBondContact O-OG1 2.95Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; L112-L127 HydrophobicContact CD1-CD2 4.4Å; L112-L127 HydrophobicContact CD2-CD1 4.42Å; L112-L127 HydrophobicContact CD2-CD2 4.44Å |
| 113 | P | 75.7 | Confident | 80.9 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | trans | -66.7 | 101.9 | 175.2 | 28.3 | -33.6 | 0 | 0 | 0 | 109.4 | T130 | P113-T130 WeakPolarHBondContact O-CG2 3.42Š| ||
| 114 | T | 74.8 | Confident | 81 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 15% | 0.147 | 38% | 0.379 | C | S | . | . | trans | -128.4 | 112.6 | -177.1 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | M109 L112 R116 V123 N126 L127 | M109-T114 WeakPolarHBondContact CE-OG1 3.44Å; M109-T114 HydrophobicContact SD-CG2 4.31Å; M109-T114 PolarHBondContact SD-OG1 3.12Å; M109-T114 VanDerWaalsContact SD-OG1 3.38Å; L112-T114 HydrophobicContact CB-CG2 4.25Å; L112-T114 PolarHBondContact O-N 2.83Å; L112-T114 PolarHBondContact O-OG1 2.95Å; T114-R116 VanDerWaalsContact C-N 3.26Å; T114-R116 PolarHBondContact O-N 3.22Å; T114-V123 HydrophobicContact CG2-CG1 4.42Å; T114-N126 HydrophobicContact CG2-CB 4.09Å; T114-L127 HydrophobicContact CG2-CB 4.42Å | ||
| 115 | E | 67.9 | Low | 81.1 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 53% | 0.533 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -72.6 | -19.2 | -174.2 | -67.3 | 171 | 159.5 | 0 | 0 | 113.3 | T130 H133 | E115-T130 HydrophobicContact CG-CG2 3.94Å; E115-T130 WeakPolarHBondContact CG-OG1 3.41Å; E115-T130 PolarHBondContact N-OG1 3.08Å; E115-T130 VanDerWaalsContact N-OG1 3.09Å; E115-H133 IonicContact OE2-CD2 3.44Å; E115-H133 PolarHBondContact OE2-CD2 3.18Å; E115-H133 IonicContact OE2-CG 3.85Å |
| 116 | R | 64 | Low | 81.2 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | trans | -119.7 | 116.7 | -177.7 | -78.1 | -172.4 | -99.1 | 145.3 | -7.8 | 111.6 | T114 S118 N126 E129 | T114-R116 VanDerWaalsContact C-N 3.26Å; T114-R116 PolarHBondContact O-N 3.22Å; R116-S118 PolarHBondContact O-N 2.75Å; R116-N126 PolarHBondContact O-ND2 2.9Å; R116-E129 IonicContact CZ-OE1 2.77Å; R116-E129 IonicContact CZ-OE2 3.31Å; R116-E129 IonicContact NE-OE2 2.79Å; R116-E129 IonicContact NH1-OE1 3.19Å; R116-E129 PolarHBondContact NH1-OE1 3.09Å; R116-E129 IonicContact NH1-OE2 3.16Å; R116-E129 PolarHBondContact NH1-OE2 3.33Å; R116-E129 IonicContact NH2-OE1 2.75Å; R116-E129 PolarHBondContact NH2-OE1 3.31Å; R116-E129 IonicContact NH2-OE2 4Å; R116-E129 PolarHBondContact NH2-OE2 3.3Å | ||
| 117 | N | 65 | Low | 81.4 | Confident | 145 Ų | 145 | 61 Ų | 61 | 78% | 0.775 | 34% | 0.336 | S | S | * | . | trans | -87.8 | 39.5 | 169.8 | 60.1 | -10.7 | 0 | 0 | 0 | 112.2 | M109 S119 | M109-N117 HydrophobicContact CE-CB 4.19Å; N117-S119 PolarHBondContact O-N 3.36Å; N117-S119 VanDerWaalsContact O-N 3.12Å | ||
| 118 | S | 66.4 | Low | 81.5 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | trans | -67.6 | 110.5 | -179.6 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | R105 R116 N120 S121 | R105-S118 PolarHBondContact NH2-O 3.45Å; R116-S118 PolarHBondContact O-N 2.75Å; S118-N120 PolarHBondContact O-N 2.98Å; S118-S121 PolarHBondContact O-N 3.38Å; S118-S121 VanDerWaalsContact O-N 3.16Å; S118-S121 VanDerWaalsContact OG-CB 3.29Å; S118-S121 WeakPolarHBondContact OG-CB 3.46Å | ||
| 119 | S | 73.7 | Confident | 81.4 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -26 | -177 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | M81 R105 N117 | M81-S119 WeakPolarHBondContact CE-O 3.47Å; R105-S119 PolarHBondContact NH1-O 3Å; R105-S119 PolarHBondContact NH2-O 3.37Å; N117-S119 PolarHBondContact O-N 3.36Å; N117-S119 VanDerWaalsContact O-N 3.12Å |
| 120 | N | 80.5 | Confident | 81.5 | Confident | 140 Ų | 140 | 60 Ų | 60 | 75% | 0.749 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 13.4 | -171.7 | -55.9 | 4.3 | 0 | 0 | 0 | 113.8 | S118 | S118-N120 PolarHBondContact O-N 2.98Š|
| 121 | S | 85.1 | Confident | 81.6 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -124.3 | 136.3 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | R105 S118 N126 | R105-S121 PolarHBondContact NH2-O 3.3Å; S118-S121 PolarHBondContact O-N 3.38Å; S118-S121 VanDerWaalsContact O-N 3.16Å; S118-S121 VanDerWaalsContact OG-CB 3.29Å; S118-S121 WeakPolarHBondContact OG-CB 3.46Å; S121-N126 VanDerWaalsContact CB-OD1 3.26Å; S121-N126 WeakPolarHBondContact CB-OD1 3.4Å; S121-N126 PolarHBondContact OG-OD1 3.05Å |
| 122 | P | 89.9 | Confident | 81.8 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 7% | 0.065 | 33% | 0.333 | C | S | . | . | trans | -66.3 | 144.9 | 175.5 | 29.7 | -33.3 | 0 | 0 | 0 | 110.2 | D77 F78 M81 L124 L125 N126 | D77-P122 VanDerWaalsContact OD2-CA 3.3Å; D77-P122 WeakPolarHBondContact OD2-CA 3.34Å; F78-P122 HydrophobicContact CB-CB 4.28Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.72Å; F78-P122 HydrophobicContact CE2-CG 4.21Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.25Å; P122-L124 PolarHBondContact O-N 3.35Å; P122-L124 VanDerWaalsContact O-N 3.14Å; P122-L125 HydrophobicContact CG-CB 3.98Å; P122-L125 WeakPolarHBondContact O-CB 3.34Å; P122-L125 PolarHBondContact O-N 2.9Å; P122-N126 PolarHBondContact O-N 3.16Å | ||
| 123 | V | 89.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.3 | -35.1 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | L74 D77 R105 L108 M109 L112 T114 L125 N126 L127 | L74-V123 HydrophobicContact CD2-CB 3.82Å; L74-V123 HydrophobicContact CD2-CG1 3.68Å; D77-V123 PolarHBondContact OD2-N 3Å; R105-V123 HydrophobicContact CG-CG2 3.66Å; L108-V123 HydrophobicContact CB-CG1 4.3Å; M109-V123 HydrophobicContact CG-CG2 4.13Å; M109-V123 HydrophobicContact SD-CB 4.4Å; M109-V123 HydrophobicContact SD-CG1 3.89Å; M109-V123 HydrophobicContact SD-CG2 3.87Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; T114-V123 HydrophobicContact CG2-CG1 4.42Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.23Å; V123-N126 PolarHBondContact O-N 3.06Å; V123-L127 PolarHBondContact O-N 3.41Å |
| 124 | L | 91.6 | Very high | 82.2 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -36.6 | 175.8 | -175.6 | 62.9 | 0 | 0 | 0 | 113.1 | L74 F78 P122 I128 | L74-L124 HydrophobicContact CD1-CD1 4.45Å; L74-L124 HydrophobicContact CD2-CB 4.43Å; F78-L124 HydrophobicContact CD2-CD2 4.45Å; P122-L124 PolarHBondContact O-N 3.35Å; P122-L124 VanDerWaalsContact O-N 3.14Å; L124-I128 HydrophobicContact CG-CD1 4.38Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.36Å; L124-I128 PolarHBondContact O-N 2.96Å |
| 125 | L | 89.3 | Confident | 82.8 | Confident | 79 Ų | 79 | 72.3 Ų | 72.3 | 41% | 0.414 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.2 | -44.7 | 176.6 | 179.9 | 57.2 | 0 | 0 | 0 | 110.6 | P122 V123 L127 I128 E129 | P122-L125 HydrophobicContact CG-CB 3.98Å; P122-L125 WeakPolarHBondContact O-CB 3.34Å; P122-L125 PolarHBondContact O-N 2.9Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.23Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 3.09Å; L125-I128 PolarHBondContact O-N 3.29Å; L125-I128 VanDerWaalsContact O-N 3.12Å; L125-E129 HydrophobicContact CD1-CG 4.43Å; L125-E129 WeakPolarHBondContact O-CG 3.49Å; L125-E129 PolarHBondContact O-N 2.64Å |
| 126 | N | 87.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 178.4 | -57.2 | -8.2 | 0 | 0 | 0 | 111 | T114 R116 S121 P122 V123 E129 T130 | T114-N126 HydrophobicContact CG2-CB 4.09Å; R116-N126 PolarHBondContact O-ND2 2.9Å; S121-N126 VanDerWaalsContact CB-OD1 3.26Å; S121-N126 WeakPolarHBondContact CB-OD1 3.4Å; S121-N126 PolarHBondContact OG-OD1 3.05Å; P122-N126 PolarHBondContact O-N 3.16Å; V123-N126 PolarHBondContact O-N 3.06Å; N126-E129 PolarHBondContact O-N 2.91Å; N126-T130 PolarHBondContact O-N 2.84Å; N126-T130 PolarHBondContact O-OG1 3.39Å |
| 127 | L | 90 | Very high | 84.2 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 174.1 | 179.8 | 64.1 | 0 | 0 | 0 | 112 | L74 L112 T114 V123 L125 E129 T130 L131 | L74-L127 HydrophobicContact CD1-CD2 4.33Å; L112-L127 HydrophobicContact CD1-CD2 4.4Å; L112-L127 HydrophobicContact CD2-CD1 4.42Å; L112-L127 HydrophobicContact CD2-CD2 4.44Å; T114-L127 HydrophobicContact CG2-CB 4.42Å; V123-L127 PolarHBondContact O-N 3.41Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 3.09Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 3.21Å; L127-T130 PolarHBondContact O-N 3.22Å; L127-L131 HydrophobicContact CD1-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.1Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.87Å |
| 128 | I | 89.6 | Confident | 84.6 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 176.9 | -69.3 | 164.7 | 0 | 0 | 0 | 111.1 | L124 L125 K132 | L124-I128 HydrophobicContact CG-CD1 4.38Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.36Å; L124-I128 PolarHBondContact O-N 2.96Å; L125-I128 PolarHBondContact O-N 3.29Å; L125-I128 VanDerWaalsContact O-N 3.12Å; I128-K132 HydrophobicContact CG2-CD 4.35Å; I128-K132 WeakPolarHBondContact O-CB 3.33Å; I128-K132 WeakPolarHBondContact O-CG 3.3Å; I128-K132 PolarHBondContact O-N 2.86Å |
| 129 | E | 87.6 | Confident | 84.5 | Confident | 42 Ų | 42 | 75 Ų | 75 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67 | -49.2 | 176.3 | -68.7 | -177.2 | 117.1 | 0 | 0 | 112 | R116 L125 N126 L127 L131 K132 H133 | R116-E129 IonicContact CZ-OE1 2.77Å; R116-E129 IonicContact CZ-OE2 3.31Å; R116-E129 IonicContact NE-OE2 2.79Å; R116-E129 IonicContact NH1-OE1 3.19Å; R116-E129 PolarHBondContact NH1-OE1 3.09Å; R116-E129 IonicContact NH1-OE2 3.16Å; R116-E129 PolarHBondContact NH1-OE2 3.33Å; R116-E129 IonicContact NH2-OE1 2.75Å; R116-E129 PolarHBondContact NH2-OE1 3.31Å; R116-E129 IonicContact NH2-OE2 4Å; R116-E129 PolarHBondContact NH2-OE2 3.3Å; L125-E129 HydrophobicContact CD1-CG 4.43Å; L125-E129 WeakPolarHBondContact O-CG 3.49Å; L125-E129 PolarHBondContact O-N 2.64Å; N126-E129 PolarHBondContact O-N 2.91Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 3.21Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.91Å; E129-K132 WeakPolarHBondContact O-CB 3.34Å; E129-K132 PolarHBondContact O-N 3.27Å; E129-K132 VanDerWaalsContact O-N 3.08Å; E129-H133 PolarHBondContact O-CD2 3Å; E129-H133 PolarHBondContact O-N 3.5Å |
| 130 | T | 86.4 | Confident | 83.8 | Confident | 18 Ų | 18 | 77 Ų | 77 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 176.3 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | P113 E115 N126 L127 K132 H133 L134 | P113-T130 WeakPolarHBondContact O-CG2 3.42Å; E115-T130 HydrophobicContact CG-CG2 3.94Å; E115-T130 WeakPolarHBondContact CG-OG1 3.41Å; E115-T130 PolarHBondContact N-OG1 3.08Å; E115-T130 VanDerWaalsContact N-OG1 3.09Å; N126-T130 PolarHBondContact O-N 2.84Å; N126-T130 PolarHBondContact O-OG1 3.39Å; L127-T130 PolarHBondContact O-N 3.22Å; T130-K132 VanDerWaalsContact C-N 3.33Å; T130-K132 PolarHBondContact O-N 2.88Å; T130-H133 PolarHBondContact O-N 2.91Å; T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 PolarHBondContact O-N 2.89Å |
| 131 | L | 87.7 | Confident | 82.8 | Confident | 100 Ų | 100 | 78.9 Ų | 78.9 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 172.5 | -71.8 | 172.9 | 0 | 0 | 0 | 112.7 | L127 E129 R135 | L127-L131 HydrophobicContact CD1-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.1Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.87Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.91Å; L131-R135 VanDerWaalsContact O-CB 3.29Å; L131-R135 WeakPolarHBondContact O-CB 3.18Å; L131-R135 PolarHBondContact O-N 2.94Å |
| 132 | K | 88.7 | Confident | 81.4 | Confident | 125 Ų | 125 | 82.8 Ų | 82.8 | 54% | 0.543 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 172.5 | -78.6 | 172.1 | 175.3 | 177.8 | 0 | 111.8 | I128 E129 T130 R135 N136 | I128-K132 HydrophobicContact CG2-CD 4.35Å; I128-K132 WeakPolarHBondContact O-CB 3.33Å; I128-K132 WeakPolarHBondContact O-CG 3.3Å; I128-K132 PolarHBondContact O-N 2.86Å; E129-K132 WeakPolarHBondContact O-CB 3.34Å; E129-K132 PolarHBondContact O-N 3.27Å; E129-K132 VanDerWaalsContact O-N 3.08Å; T130-K132 VanDerWaalsContact C-N 3.33Å; T130-K132 PolarHBondContact O-N 2.88Å; K132-R135 PolarHBondContact O-N 3.45Å; K132-N136 PolarHBondContact O-N 3.47Å; K132-N136 PolarHBondContact O-OD1 3.41Å |
| 133 | H | 85.4 | Confident | 79.5 | Confident | 74 Ų | 74 | 89 Ų | 89 | 34% | 0.343 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 177.6 | -70.4 | -61 | 0 | 0 | 0 | 111.2 | E115 E129 T130 R135 N136 Q137 | E115-H133 IonicContact OE2-CD2 3.44Å; E115-H133 PolarHBondContact OE2-CD2 3.18Å; E115-H133 IonicContact OE2-CG 3.85Å; E129-H133 PolarHBondContact O-CD2 3Å; E129-H133 PolarHBondContact O-N 3.5Å; T130-H133 PolarHBondContact O-N 2.91Å; H133-R135 VanDerWaalsContact C-N 3.34Å; H133-R135 PolarHBondContact O-N 3.38Å; H133-N136 PolarHBondContact O-N 3.43Å; H133-N136 VanDerWaalsContact O-N 3.15Å; H133-Q137 PolarHBondContact O-N 3.34Å |
| 134 | L | 85.7 | Confident | 77.5 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 55% | 0.55 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 176.4 | -175.4 | 63.4 | 0 | 0 | 0 | 112.6 | T130 N136 K138 | T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 PolarHBondContact O-N 2.89Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.93Å; L134-K138 PolarHBondContact O-N 3.37Å |
| 135 | R | 87.1 | Confident | 75.2 | Confident | 169 Ų | 169 | 96.4 Ų | 96.4 | 64% | 0.638 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -36.8 | 175.8 | -167.5 | -169.4 | 73.2 | 144.4 | 5.4 | 112.2 | L131 K132 H133 | L131-R135 VanDerWaalsContact O-CB 3.29Å; L131-R135 WeakPolarHBondContact O-CB 3.18Å; L131-R135 PolarHBondContact O-N 2.94Å; K132-R135 PolarHBondContact O-N 3.45Å; H133-R135 VanDerWaalsContact C-N 3.34Å; H133-R135 PolarHBondContact O-N 3.38Å |
| 136 | N | 82.7 | Confident | 72.9 | Confident | 76 Ų | 76 | 99 Ų | 99 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.1 | -43.4 | -179.2 | -65.9 | -7.6 | 0 | 0 | 0 | 111.4 | K132 H133 L134 K138 I139 | K132-N136 PolarHBondContact O-N 3.47Å; K132-N136 PolarHBondContact O-OD1 3.41Å; H133-N136 PolarHBondContact O-N 3.43Å; H133-N136 VanDerWaalsContact O-N 3.15Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.93Å; N136-K138 PolarHBondContact O-N 2.92Å; N136-I139 WeakPolarHBondContact O-CB 3.36Å; N136-I139 PolarHBondContact O-N 3.24Å |
| 137 | Q | 77.3 | Confident | 70.7 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -55.5 | -37 | 175.5 | -71.4 | 177.9 | 15 | 0 | 0 | 112.6 | H133 I139 D140 | H133-Q137 PolarHBondContact O-N 3.34Å; Q137-I139 PolarHBondContact O-N 2.88Å; Q137-I139 VanDerWaalsContact O-N 3.15Å; Q137-D140 PolarHBondContact O-N 2.91Å |
| 138 | K | 73.4 | Confident | 68.2 | Low | 175 Ų | 175 | 107.8 Ų | 107.8 | 76% | 0.761 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -8.7 | 179.1 | -163.3 | 171.6 | -178.5 | 177.1 | 0 | 114.4 | L134 N136 | L134-K138 PolarHBondContact O-N 3.37Å; N136-K138 PolarHBondContact O-N 2.92Å |
| 139 | I | 64.9 | Low | 66.1 | Low | 90 Ų | 90 | 110.1 Ų | 110.1 | 46% | 0.462 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -90.2 | -42.9 | 179.3 | -64.1 | 171.5 | 0 | 0 | 0 | 110.6 | N136 Q137 E141 T142 | N136-I139 WeakPolarHBondContact O-CB 3.36Å; N136-I139 PolarHBondContact O-N 3.24Å; Q137-I139 PolarHBondContact O-N 2.88Å; Q137-I139 VanDerWaalsContact O-N 3.15Å; I139-E141 VanDerWaalsContact C-N 3.34Å; I139-E141 PolarHBondContact O-N 3.42Å; I139-T142 PolarHBondContact O-N 3.39Å; I139-T142 VanDerWaalsContact O-N 3.15Å; I139-T142 PolarHBondContact O-OG1 2.91Å |
| 140 | D | 59.3 | Low | 64 | Low | 119 Ų | 119 | 116 Ų | 116 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68 | -26.4 | -171.1 | -68.3 | -30.6 | 0 | 0 | 0 | 114.4 | Q137 T142 S144 | Q137-D140 PolarHBondContact O-N 2.91Å; D140-T142 PolarHBondContact O-N 3.43Å; D140-S144 PolarHBondContact O-OG 3.48Å |
| 141 | E | 58.7 | Low | 62.3 | Low | 180 Ų | 180 | 122.7 Ų | 122.7 | 84% | 0.841 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -16.1 | 175.8 | -65.3 | -146.6 | 145.2 | 0 | 0 | 113.8 | I139 | I139-E141 VanDerWaalsContact C-N 3.34Å; I139-E141 PolarHBondContact O-N 3.42Å |
| 142 | T | 55.8 | Low | 60.4 | Low | 96 Ų | 96 | 123.2 Ų | 123.2 | 59% | 0.589 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -23 | -174.5 | -3.5 | 0 | 0 | 0 | 0 | 114.8 | I139 D140 | I139-T142 PolarHBondContact O-N 3.39Å; I139-T142 VanDerWaalsContact O-N 3.15Å; I139-T142 PolarHBondContact O-OG1 2.91Å; D140-T142 PolarHBondContact O-N 3.43Å |
| 143 | D | 50.6 | Low | 58.4 | Low | 141 Ų | 141 | 128.1 Ų | 128.1 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | -0.8 | -168.6 | -70.5 | -30.3 | 0 | 0 | 0 | 114.5 | S145 | D143-S145 PolarHBondContact O-N 3.07Š|
| 144 | S | 47.8 | Very low | 56.7 | Low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -90.3 | 9.7 | -174.6 | -67.2 | 0 | 0 | 0 | 0 | 116.2 | D140 | D140-S144 PolarHBondContact O-OG 3.48Š| ||
| 145 | S | 43.5 | Very low | 54.9 | Low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -103.1 | 31.8 | -174.1 | 52.5 | 0 | 0 | 0 | 0 | 115.1 | D143 | D143-S145 PolarHBondContact O-N 3.07Š|
| 146 | T | 41.5 | Very low | 52.9 | Low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -150.3 | 70.5 | 169.3 | -47.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 147 | S | 41.1 | Very low | 50.8 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -159.1 | 130.9 | 147.8 | 57 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 148 | A | 38.6 | Very low | 49.5 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 22 | 110.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 149 | S | 44.5 | Very low | 48.4 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -162.4 | 79.4 | 130.9 | -86 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 150 | N | 43.8 | Very low | 47.5 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -96.2 | 102.5 | 167.5 | -75 | -15.5 | 0 | 0 | 0 | 109.6 | ||||
| 151 | N | 51.5 | Low | 47 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -160.7 | 153.5 | 162.6 | -118.6 | -18.4 | 0 | 0 | 0 | 112.9 | ||||
| 152 | S | 46.8 | Very low | 46.5 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 61.8 | 94.6 | -178.4 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 153 | R | 46.7 | Very low | 46.4 | Very low | 227 Ų | 227 | 139.3 Ų | 139.3 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | cis | 71.3 | 122.8 | 38 | -137.4 | -176.2 | -171.4 | 136.7 | 2.2 | 113.3 | ||||
| 154 | N | 49.5 | Very low | 46.1 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 79.8 | 111.2 | 176.1 | -40.4 | -19.6 | 0 | 0 | 0 | 113.6 | ||||
| 155 | N | 48.6 | Very low | 46.2 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | -151.8 | 168.3 | 68.2 | -136.4 | 4.1 | 0 | 0 | 0 | 114.4 | |||||
| 156 | F | 44.1 | Very low | 46 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -106.2 | 158 | -163.4 | 176.4 | -119.1 | 0 | 0 | 0 | 113.1 | ||||
| 157 | E | 38.3 | Very low | 46.3 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | trans | 77.6 | 107.2 | 154.4 | -148.2 | 157.1 | -151.9 | 0 | 0 | 121.2 | ||||
| 158 | S | 50.2 | Low | 46.5 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | -156.3 | 150.6 | 125.5 | -166.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 159 | Q | 50.6 | Low | 46.4 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -92.8 | 131.4 | -165.9 | -64.4 | -177.5 | 23.3 | 0 | 0 | 112.6 | ||||
| 160 | V | 45.9 | Very low | 46.3 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 77.4 | 137 | 102.6 | -177.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 161 | S | 50 | Low | 46.1 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 91.8 | 132.6 | 176.4 | -36.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 162 | D | 48.2 | Very low | 46.1 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -149.7 | 177.3 | 2.3 | -138 | -39.1 | 0 | 0 | 0 | 112.9 | ||||
| 163 | K | 52.5 | Low | 45.7 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -66.2 | 154.5 | -167.4 | -56.3 | 133.5 | -173.8 | 152 | 0 | 115.3 | ||||
| 164 | T | 45.5 | Very low | 45.4 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 172.3 | 116.5 | 108.4 | -71 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 165 | L | 48.2 | Very low | 45.2 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 48.6 | 116.4 | 149.1 | -62.8 | 166.5 | 0 | 0 | 0 | 123.8 | ||||
| 166 | N | 40.5 | Very low | 45.2 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | 27.9 | 145.9 | 118.4 | -81.6 | 12.2 | 0 | 0 | 0 | 120.9 | |||||
| 167 | T | 46.5 | Very low | 45 | Very low | 114 Ų | 114 | 136 Ų | 136 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | cis | 179.4 | -177.1 | 5.7 | 27.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 168 | P | 47.1 | Very low | 45.7 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | -127.7 | -179.8 | -62.8 | 39.3 | -21.3 | 0 | 0 | 0 | 113.5 | |||||
| 169 | N | 35.7 | Very low | 45.2 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -54.9 | 147.5 | 178.5 | -169.7 | 4.9 | 0 | 0 | 0 | 116.1 | ||||
| 170 | R | 41.8 | Very low | 44.6 | Very low | 221 Ų | 221 | 141.6 Ų | 141.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -134.9 | 102.7 | 161.2 | 179 | 174.2 | 167.3 | 167.4 | -5.2 | 110.7 | ||||
| 171 | N | 40.5 | Very low | 44.2 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | trans | -91.9 | 144.2 | 169.3 | -174 | 8.7 | 0 | 0 | 0 | 110.6 | N173 | N171-N173 PolarHBondContact OD1-OD1 3.44Š| ||
| 172 | V | 52 | Low | 44.1 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | -139.2 | 99.9 | 167.3 | -84.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 173 | N | 37.4 | Very low | 43.9 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -80 | 148.8 | 170 | -78.4 | -9.3 | 0 | 0 | 0 | 110.9 | N171 | N171-N173 PolarHBondContact OD1-OD1 3.44Š| ||
| 174 | G | 40.2 | Very low | 42.8 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 176.3 | 97.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 175 | S | 46.4 | Very low | 42.7 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | 176.2 | 142 | 124.5 | -79.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 176 | S | 47.9 | Very low | 42.5 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -91.6 | 150.9 | -168.5 | -58 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 177 | K | 39.4 | Very low | 42.2 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -68.6 | 145.9 | 164.1 | -78 | 174.8 | 174.3 | 168.6 | 0 | 110.9 | ||||
| 178 | V | 52.1 | Low | 41.8 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -121.8 | 129.4 | 150.4 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 179 | K | 40.9 | Very low | 41 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -106.5 | 141.6 | 168.3 | -82.4 | -177.9 | 172.3 | -178.3 | 0 | 107.3 | ||||
| 180 | E | 38.5 | Very low | 41 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -143.3 | 151.5 | 153.1 | -158.1 | 158.1 | -153.1 | 0 | 0 | 109.6 | ||||
| 181 | A | 37.3 | Very low | 40.9 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -136 | 140.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 182 | I | 48.4 | Very low | 40.5 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -135.2 | 146.2 | 172.5 | -55.2 | -177.3 | 0 | 0 | 0 | 109.3 | ||||
| 183 | N | 42.4 | Very low | 39.9 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -93.6 | 161.6 | -153.6 | -66.2 | -49.3 | 0 | 0 | 0 | 116.4 | ||||
| 184 | T | 30.3 | Very low | 39.7 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -61.3 | 138.2 | 163.2 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 185 | S | 43 | Very low | 39.9 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -172 | 149.2 | 155.5 | -86.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 186 | Q | 43.6 | Very low | 39.5 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | cis | -158.4 | 162.2 | -18.3 | -123.6 | 178.7 | -0.7 | 0 | 0 | 106.4 | ||||
| 187 | E | 35.8 | Very low | 39.5 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -76.9 | 149 | -179.2 | -60.2 | 170.8 | 110 | 0 | 0 | 113.2 | ||||
| 188 | T | 37 | Very low | 39.5 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -159.2 | 124.6 | 142.8 | -30.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 189 | P | 31.3 | Very low | 39.4 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -113.9 | 158.1 | -179.9 | 40.4 | -33 | 0 | 0 | 0 | 115.2 | ||||
| 190 | L | 34.6 | Very low | 39.3 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | 66.3 | 115.7 | 164.3 | -53.6 | -177.6 | 0 | 0 | 0 | 120.3 | ||||
| 191 | Q | 40.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | 160.6 | 113.1 | 128.8 | -90.2 | 153.5 | 88.5 | 0 | 0 | 108.5 | |||||
| 192 | E | 32.1 | Very low | 40.2 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 87.9 | 129.9 | 94.5 | -171.9 | 177.1 | -166.3 | 0 | 0 | 112.1 | |||||
| 193 | V | 38.8 | Very low | 40 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | 171.1 | 116.5 | 138.6 | 152.2 | 0 | 0 | 0 | 0 | 108.7 | T195 | V193-T195 HydrophobicContact CG1-CG2 3.89Š| ||
| 194 | V | 33.9 | Very low | 40.1 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 128.6 | 169.9 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 195 | T | 43.9 | Very low | 41 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | trans | -131.7 | 86.4 | 168.5 | 42.9 | 0 | 0 | 0 | 0 | 112.8 | V193 H197 | V193-T195 HydrophobicContact CG1-CG2 3.89Å; T195-H197 PolarHBondContact O-N 2.76Å; T195-H197 PolarHBondContact O-ND1 3.42Å | ||
| 196 | N | 38.2 | Very low | 41.3 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -54.6 | 129.1 | 163.2 | -67.7 | -41.5 | 0 | 0 | 0 | 110.5 | ||||
| 197 | H | 47.4 | Very low | 41.5 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 73% | 0.731 | 79% | 0.794 | S | S | * | * | trans | -136.5 | 85.5 | 165.9 | 48.8 | -80.8 | 0 | 0 | 0 | 111.1 | T195 S199 | T195-H197 PolarHBondContact O-N 2.76Å; T195-H197 PolarHBondContact O-ND1 3.42Å; H197-S199 PolarHBondContact O-N 3.3Å; H197-S199 VanDerWaalsContact O-N 3.16Å | ||
| 198 | S | 40.3 | Very low | 42 | Very low | 123 Ų | 123 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -62.9 | 107.8 | 166.7 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 199 | S | 50.1 | Low | 42 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -106 | 81.7 | 170.3 | -74.5 | 0 | 0 | 0 | 0 | 110.9 | H197 T201 | H197-S199 PolarHBondContact O-N 3.3Å; H197-S199 VanDerWaalsContact O-N 3.16Å; S199-T201 PolarHBondContact O-N 2.98Å | ||
| 200 | R | 39.4 | Very low | 42.6 | Very low | 214 Ų | 214 | 145.6 Ų | 145.6 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -62.3 | 104.8 | 172.1 | 174.6 | -170.2 | -173.3 | 172.9 | 2.9 | 110.8 | ||||
| 201 | T | 44.2 | Very low | 43.2 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -116 | 117.7 | 164.8 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | S199 | S199-T201 PolarHBondContact O-N 2.98Š| ||
| 202 | Q | 49.1 | Very low | 43.1 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | trans | -81 | 153.4 | 173.7 | -53.4 | 170.7 | 43.1 | 0 | 0 | 108.9 | ||||
| 203 | M | 43.7 | Very low | 43.8 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | -178 | 142.4 | 126.9 | -94.6 | -59.7 | 171.7 | 0 | 0 | 109.6 | |||||
| 204 | R | 44.7 | Very low | 44.3 | Very low | 231 Ų | 231 | 140.4 Ų | 140.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -88.6 | 147.6 | 179.7 | -57 | 157.8 | 92.3 | 175.8 | 7 | 108.6 | ||||
| 205 | T | 49.6 | Very low | 45.1 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -106.8 | 137.5 | 160.2 | 53 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 206 | S | 49.2 | Very low | 45.2 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -122.5 | 131.4 | 178.9 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 207 | V | 47.6 | Very low | 45.5 | Very low | 145 Ų | 145 | 145 Ų | 145 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | 25 | 120 | 149.6 | -169.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 208 | I | 45.9 | Very low | 45.8 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | trans | -92 | 145.5 | 167.8 | -61.2 | 165.5 | 0 | 0 | 0 | 109.3 | ||||
| 209 | G | 38.3 | Very low | 46.2 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 139.7 | 83 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 210 | S | 43.5 | Very low | 45.9 | Very low | 129 Ų | 129 | 146 Ų | 146 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -97.3 | 151.2 | 173.3 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 211 | T | 46.3 | Very low | 46.4 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -85.2 | 146.5 | 172.3 | 49.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 212 | D | 39.7 | Very low | 46.8 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -106.1 | 145.4 | -179 | -178 | 32.9 | 0 | 0 | 0 | 113.1 | ||||
| 213 | S | 46.2 | Very low | 46.4 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -171.1 | 148.1 | 162.8 | -83.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 214 | P | 49.6 | Very low | 46.4 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | -135 | 177.6 | -130.3 | 39.6 | -23.2 | 0 | 0 | 0 | 118.4 | ||||
| 215 | R | 49.8 | Very low | 46.4 | Very low | 234 Ų | 234 | 130.9 Ų | 130.9 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | 81.4 | 160.5 | 150.7 | -95 | -159.8 | 151.3 | -151.3 | -2.6 | 119.8 | ||||
| 216 | P | 47 | Very low | 46.1 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 56% | 0.558 | 79% | 0.787 | S | S | * | * | -146.3 | -155.9 | -60.2 | 38.5 | -15.1 | 0 | 0 | 0 | 115.2 | |||||
| 217 | L | 44.6 | Very low | 46 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | trans | 90.4 | 136.4 | 165.6 | -49.3 | -176.9 | 0 | 0 | 0 | 116.1 | ||||
| 218 | T | 52.8 | Low | 45.8 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | cis | -159.6 | 162.9 | -0.7 | 18.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 219 | P | 48.4 | Very low | 45.7 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -111.6 | 172.1 | -175 | 41.3 | -33.2 | 0 | 0 | 0 | 116.1 | ||||
| 220 | N | 44.7 | Very low | 46.3 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -160.7 | 165.3 | 159.1 | -104.3 | -31.5 | 0 | 0 | 0 | 113.7 | ||||
| 221 | S | 50.4 | Low | 46 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -101.3 | 174 | -143.2 | -57.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 222 | P | 51 | Low | 46.1 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -116.3 | -178.1 | -169.2 | 43.5 | -33.4 | 0 | 0 | 0 | 116.9 | ||||
| 223 | A | 41.3 | Very low | 46.4 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -165.8 | 165.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 224 | L | 43.6 | Very low | 46.4 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | cis | -169.2 | 137.4 | -17.7 | -117.9 | 172.8 | 0 | 0 | 0 | 110.6 | ||||
| 225 | S | 44 | Very low | 46 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 59.9 | 161.2 | 151.3 | 72.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 226 | S | 44.1 | Very low | 45.6 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | -176.4 | 172.8 | -24.7 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 227 | V | 46.9 | Very low | 45.4 | Very low | 146 Ų | 146 | 133 Ų | 133 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | 71.4 | 141.1 | 164.9 | -176.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 228 | G | 43.4 | Very low | 45.5 | Very low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | cis | 152 | 135.1 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 229 | K | 44.3 | Very low | 45 | Very low | 206 Ų | 206 | 128 Ų | 128 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | 58.5 | 158.1 | 167 | -80.6 | 178.7 | 171.4 | -178.5 | 0 | 117.4 | ||||
| 230 | V | 50 | Low | 44.7 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | cis | -151.2 | 177.2 | 20.5 | -129.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 231 | E | 37.9 | Very low | 44.7 | Very low | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -76.1 | 156.9 | -174.1 | -59.9 | 142.8 | 83.2 | 0 | 0 | 117.7 | ||||
| 232 | S | 48.2 | Very low | 44.3 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | 175.1 | 143.4 | 116.1 | -76.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 233 | P | 46.7 | Very low | 44.6 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -98.8 | 155.6 | -175.8 | 37.5 | -34.7 | 0 | 0 | 0 | 115.4 | ||||
| 234 | G | 44.6 | Very low | 45.1 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -128.8 | 151.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 235 | R | 41.6 | Very low | 45.8 | Very low | 248 Ų | 248 | 121.9 Ų | 121.9 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | trans | -81.1 | 145.3 | -170 | -81.1 | 154.1 | 50.9 | 174.5 | -4.6 | 114.9 | ||||
| 236 | A | 42.8 | Very low | 46.3 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 19.4 | 135 | 144.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 237 | N | 42.6 | Very low | 47.1 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -168.5 | 154.3 | 107 | -157.7 | 16.3 | 0 | 0 | 0 | 114.1 | |||||
| 238 | S | 46.4 | Very low | 47.7 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | 41 | 111.3 | 148.4 | 62.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 239 | G | 42.1 | Very low | 48 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | 67.3 | 127.8 | 110 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 240 | G | 42.1 | Very low | 49 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 151.9 | 119.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 241 | S | 44.6 | Very low | 49.8 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 40.1 | 113.4 | 160.9 | -64.3 | 0 | 0 | 0 | 0 | 120.2 | P243 | S241-P243 VanDerWaalsContact O-CD 3.29Å; S241-P243 WeakPolarHBondContact O-CD 3.44Å | ||
| 242 | S | 42.2 | Very low | 50.7 | Low | 125 Ų | 125 | 122.5 Ų | 122.5 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 124.9 | 155.2 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 243 | P | 57.8 | Low | 50.8 | Low | 95 Ų | 95 | 126.7 Ų | 126.7 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | trans | -90.3 | 130.5 | 155.7 | 32.8 | -26.8 | 0 | 0 | 0 | 109.4 | S241 I245 | S241-P243 VanDerWaalsContact O-CD 3.29Å; S241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-I245 HydrophobicContact CB-CG1 4.21Å; P243-I245 HydrophobicContact CG-CD1 4.18Å; P243-I245 HydrophobicContact CG-CG1 3.98Å; P243-I245 PolarHBondContact O-N 3.46Å; P243-I245 VanDerWaalsContact O-N 3.12Å | ||
| 244 | S | 51.4 | Low | 51 | Low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 106.3 | 163.8 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 245 | I | 58 | Low | 51.2 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 49% | 0.492 | 79% | 0.786 | S | S | . | * | trans | -100 | 100.7 | 179.9 | -43 | -178.9 | 0 | 0 | 0 | 109.9 | P243 R247 | P243-I245 HydrophobicContact CB-CG1 4.21Å; P243-I245 HydrophobicContact CG-CD1 4.18Å; P243-I245 HydrophobicContact CG-CG1 3.98Å; P243-I245 PolarHBondContact O-N 3.46Å; P243-I245 VanDerWaalsContact O-N 3.12Å; I245-R247 HydrophobicContact CB-CG 4.1Å; I245-R247 HydrophobicContact CG2-CG 3.36Å; I245-R247 PolarHBondContact O-N 2.99Å | ||
| 246 | V | 54.6 | Low | 51.7 | Low | 129 Ų | 129 | 129.5 Ų | 129.5 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 96.5 | 158.3 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 247 | R | 60.7 | Low | 52 | Low | 162 Ų | 162 | 130.1 Ų | 130.1 | 61% | 0.611 | 78% | 0.78 | S | S | * | * | trans | -91.5 | 102.9 | 175.1 | -66.8 | -165.4 | -178.7 | -136.1 | 0.5 | 110.5 | I245 F249 | I245-R247 HydrophobicContact CB-CG 4.1Å; I245-R247 HydrophobicContact CG2-CG 3.36Å; I245-R247 PolarHBondContact O-N 2.99Å; R247-F249 HydrophobicContact CB-CD2 3.8Å; R247-F249 HydrophobicContact CB-CE2 3.4Å; R247-F249 VanDerWaalsContact CB-CE2 3.4Å; R247-F249 HydrophobicContact CB-CZ 3.97Å; R247-F249 VanDerWaalsContact CD-CZ 3.45Å; R247-F249 HydrophobicContact CG-CE2 4.15Å; R247-F249 HydrophobicContact CG-CZ 4.33Å; R247-F249 PolarHBondContact O-N 3.14Å | ||
| 248 | V | 59.1 | Low | 52.4 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -76.7 | 104 | 164.6 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 249 | F | 50.6 | Low | 53.1 | Low | 161 Ų | 161 | 133.1 Ų | 133.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 130.2 | 175 | -74.2 | -76.2 | 0 | 0 | 0 | 111.1 | R247 | R247-F249 HydrophobicContact CB-CD2 3.8Å; R247-F249 HydrophobicContact CB-CE2 3.4Å; R247-F249 VanDerWaalsContact CB-CE2 3.4Å; R247-F249 HydrophobicContact CB-CZ 3.97Å; R247-F249 VanDerWaalsContact CD-CZ 3.45Å; R247-F249 HydrophobicContact CG-CE2 4.15Å; R247-F249 HydrophobicContact CG-CZ 4.33Å; R247-F249 PolarHBondContact O-N 3.14Å |
| 250 | A | 66.1 | Low | 53.7 | Low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 147.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V252 | A250-V252 PolarHBondContact O-N 3.34Š|
| 251 | P | 66.2 | Low | 55 | Low | 134 Ų | 134 | 140 Ų | 140 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 124.6 | -176.1 | 28.7 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 252 | V | 57 | Low | 55.7 | Low | 125 Ų | 125 | 143.5 Ų | 143.5 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 122.4 | 171.7 | 174 | 0 | 0 | 0 | 0 | 109.6 | A250 | A250-V252 PolarHBondContact O-N 3.34Š|
| 253 | K | 49.2 | Very low | 57 | Low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 127.4 | 166.6 | -75.7 | -179.3 | 173.8 | 179.9 | 0 | 109.7 | ||
| 254 | K | 51 | Low | 57.5 | Low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -114.2 | 131.2 | 159.4 | -80.4 | -173 | 175.2 | 179.2 | 0 | 109.7 | ||||
| 255 | Q | 48.4 | Very low | 58.7 | Low | 201 Ų | 201 | 145.1 Ų | 145.1 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -80.3 | 142.2 | 163.7 | -68.2 | 165.5 | -90.6 | 0 | 0 | 108.6 | ||||
| 256 | S | 52 | Low | 59.2 | Low | 121 Ų | 121 | 146.1 Ų | 146.1 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -118.5 | 119.6 | 159.8 | 44.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 257 | S | 50.1 | Low | 60 | Low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -92.4 | 133 | 171.8 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 258 | L | 51.7 | Low | 60.4 | Low | 142 Ų | 142 | 145.3 Ų | 145.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -61.6 | 148.6 | 159.4 | -80.8 | 88.4 | 0 | 0 | 0 | 109.5 | ||||
| 259 | N | 59.7 | Low | 60.9 | Low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -148.4 | 112.3 | 142.5 | -86.7 | -26.1 | 0 | 0 | 0 | 106.1 | ||||
| 260 | D | 55.6 | Low | 61.8 | Low | 149 Ų | 149 | 144.8 Ų | 144.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 134.8 | 159.6 | -61.7 | -75.1 | 0 | 0 | 0 | 107.7 | ||||
| 261 | D | 68.8 | Low | 62 | Low | 158 Ų | 158 | 147.5 Ų | 147.5 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -134.3 | 141.3 | 167 | -153 | -11 | 0 | 0 | 0 | 109.9 | ||||
| 262 | K | 59.5 | Low | 62 | Low | 194 Ų | 194 | 148.9 Ų | 148.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -147.7 | 102.5 | -163 | -166 | -163.3 | -169.1 | 74.2 | 0 | 109.6 | ||||
| 263 | S | 70.1 | Confident | 62.5 | Low | 95 Ų | 95 | 150.7 Ų | 150.7 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -143.6 | 117.5 | 164.8 | 50.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 264 | D | 68.3 | Low | 63.1 | Low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | 53.1 | 98.8 | 77.9 | -74.1 | -6.2 | 0 | 0 | 0 | 111.1 | |||||
| 265 | V | 75.4 | Confident | 63.4 | Low | 144 Ų | 144 | 150.2 Ų | 150.2 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -136 | 113.3 | 155.9 | 178.3 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 266 | D | 70 | Confident | 64.1 | Low | 117 Ų | 117 | 147.7 Ų | 147.7 | 63% | 0.626 | 81% | 0.809 | S | S | * | * | trans | -81.7 | 173.6 | -172.6 | -53 | -75.2 | 0 | 0 | 0 | 113.3 | ||||
| 267 | D | 70 | Confident | 64.8 | Low | 136 Ų | 136 | 149.1 Ų | 149.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 56.2 | 106.4 | 149.7 | -56 | -13.4 | 0 | 0 | 0 | 117.5 | ||||
| 268 | D | 69 | Low | 65.6 | Low | 138 Ų | 138 | 151.2 Ų | 151.2 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | 94.2 | 136.5 | 69.1 | -84.7 | -10.7 | 0 | 0 | 0 | 111.8 | |||||
| 269 | D | 69.8 | Low | 66.4 | Low | 136 Ų | 136 | 151.8 Ų | 151.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 31.1 | 117.6 | 155.2 | -58.1 | -24.5 | 0 | 0 | 0 | 119.9 | ||||
| 270 | D | 69.9 | Low | 66.8 | Low | 152 Ų | 152 | 151.3 Ų | 151.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | -171.7 | 151.2 | 97.3 | -103.7 | -30 | 0 | 0 | 0 | 113.6 | |||||
| 271 | D | 70.2 | Confident | 67.6 | Low | 141 Ų | 141 | 151.5 Ų | 151.5 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -37.8 | 149.7 | 165.9 | -69.5 | -44.1 | 0 | 0 | 0 | 115.3 | ||||
| 272 | I | 67 | Low | 67.5 | Low | 163 Ų | 163 | 151 Ų | 151 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | -179.7 | 151.7 | 83.6 | -146 | 155.1 | 0 | 0 | 0 | 113.4 | |||||
| 273 | E | 66.6 | Low | 68.1 | Low | 164 Ų | 164 | 147.7 Ų | 147.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 150.4 | 174.3 | -50.6 | 176.9 | 132.1 | 0 | 0 | 113.3 | ||||
| 274 | K | 62.8 | Low | 67.9 | Low | 191 Ų | 191 | 152.1 Ų | 152.1 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | -178.2 | 141.7 | 112.5 | -101.7 | 161.8 | -175.5 | 170.8 | 0 | 115.6 | |||||
| 275 | C | 56.4 | Low | 67.9 | Low | 204 Ų | 204 | 153.3 Ų | 153.3 | 100% | 1.378 | 82% | 0.824 | S | S | * | * | trans | 74.4 | 0 | 161.6 | -64.4 | 0 | 0 | 0 | 0 | 117.8 |
Retrieved 275 of 275 residues in 40.1 ms
(Link to these results)