| 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 | 54.7 | Low | 62.3 | Low | 149 Ų | 149 | 107.2 Ų | 107.2 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | 0 | -29.2 | 0 | -84.5 | -166.9 | 168.9 | 0 | 0 | 114.3 | L3 H4 L5 Y377 R381 | M1-L3 PolarHBondContact O-N 3.32Å; M1-H4 WeakPolarHBondContact O-CB 3.36Å; M1-H4 PolarHBondContact O-N 3.42Å; M1-L5 PolarHBondContact O-N 3.23Å; M1-Y377 PolarHBondContact SD-OH 3.48Å; M1-R381 PolarHBondContact SD-NH2 3.27Å | |||
| 2 | T | 53 | Low | 62.6 | Low | 122 Ų | 122 | 104.3 Ų | 104.3 | 75% | 0.748 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -46.4 | -43.2 | 171.6 | 39.9 | 0 | 0 | 0 | 0 | 113.9 | H4 L5 L6 | T2-H4 PolarHBondContact O-N 2.86Å; T2-L5 PolarHBondContact O-N 3.29Å; T2-L6 PolarHBondContact O-N 3.34Å; T2-L6 VanDerWaalsContact O-N 3.1Å |
| 3 | L | 63 | Low | 62.4 | Low | 127 Ų | 127 | 104 Ų | 104 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -55.1 | -34.9 | 176.3 | -160.9 | 79.3 | 0 | 0 | 0 | 113.8 | M1 L7 | M1-L3 PolarHBondContact O-N 3.32Å; L3-L7 PolarHBondContact O-N 3.33Å |
| 4 | H | 61.5 | Low | 62.1 | Low | 132 Ų | 132 | 98.3 Ų | 98.3 | 61% | 0.611 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -78.3 | -34.2 | -177.6 | -146.9 | 28 | 0 | 0 | 0 | 111.4 | M1 T2 L6 L7 V8 | M1-H4 WeakPolarHBondContact O-CB 3.36Å; M1-H4 PolarHBondContact O-N 3.42Å; T2-H4 PolarHBondContact O-N 2.86Å; H4-L6 VanDerWaalsContact C-N 3.34Å; H4-L7 PolarHBondContact O-N 3.38Å; H4-V8 WeakPolarHBondContact O-CG2 3.46Å; H4-V8 PolarHBondContact O-N 2.92Å |
| 5 | L | 58.5 | Low | 61.7 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.2 | -40.9 | 171.5 | -153.2 | 84 | 0 | 0 | 0 | 110.9 | M1 T2 V8 L9 | M1-L5 PolarHBondContact O-N 3.23Å; T2-L5 PolarHBondContact O-N 3.29Å; L5-V8 PolarHBondContact O-N 3.46Å; L5-L9 HydrophobicContact CG-CD1 4.16Å; L5-L9 WeakPolarHBondContact O-CD1 3.47Å; L5-L9 PolarHBondContact O-N 3.18Å |
| 6 | L | 60.9 | Low | 61 | Low | 123 Ų | 123 | 99.1 Ų | 99.1 | 64% | 0.644 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 172.5 | -84.8 | 163.5 | 0 | 0 | 0 | 112.2 | T2 H4 V8 L9 S10 | T2-L6 PolarHBondContact O-N 3.34Å; T2-L6 VanDerWaalsContact O-N 3.1Å; H4-L6 VanDerWaalsContact C-N 3.34Å; L6-V8 VanDerWaalsContact C-N 3.27Å; L6-V8 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 3.23Å; L6-S10 WeakPolarHBondContact O-CB 3.46Å; L6-S10 PolarHBondContact O-N 3.04Å |
| 7 | L | 68.4 | Low | 60.4 | Low | 110 Ų | 110 | 97.2 Ų | 97.2 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.8 | -24.5 | 176.2 | -81.4 | 164.8 | 0 | 0 | 0 | 114 | L3 H4 P11 | L3-L7 PolarHBondContact O-N 3.33Å; H4-L7 PolarHBondContact O-N 3.38Å; L7-P11 WeakPolarHBondContact O-CD 3.06Å |
| 8 | V | 71.3 | Confident | 59.4 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -90.6 | -29.4 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | H4 L5 L6 | H4-V8 WeakPolarHBondContact O-CG2 3.46Å; H4-V8 PolarHBondContact O-N 2.92Å; L5-V8 PolarHBondContact O-N 3.46Å; L6-V8 VanDerWaalsContact C-N 3.27Å; L6-V8 PolarHBondContact O-N 2.82Å |
| 9 | L | 61.8 | Low | 58.7 | Low | 61 Ų | 61 | 95.6 Ų | 95.6 | 32% | 0.319 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -78.2 | -26.9 | 169.2 | -92.3 | 79.3 | 0 | 0 | 0 | 112.8 | L5 L6 V12 L13 | L5-L9 HydrophobicContact CG-CD1 4.16Å; L5-L9 WeakPolarHBondContact O-CD1 3.47Å; L5-L9 PolarHBondContact O-N 3.18Å; L6-L9 PolarHBondContact O-N 3.23Å; L9-V12 CarbonylContact O-C 3.46Å; L9-V12 PolarHBondContact O-N 3.23Å; L9-L13 HydrophobicContact CB-CD1 4.49Å; L9-L13 HydrophobicContact CD2-CD1 4.29Å; L9-L13 PolarHBondContact O-N 2.77Å |
| 10 | S | 65.7 | Low | 57.9 | Low | 78 Ų | 78 | 95.7 Ų | 95.7 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.6 | -39.9 | -176.8 | -174.6 | 0 | 0 | 0 | 0 | 113.9 | L6 V12 G14 | L6-S10 WeakPolarHBondContact O-CB 3.46Å; L6-S10 PolarHBondContact O-N 3.04Å; S10-V12 VanDerWaalsContact C-N 3.34Å; S10-V12 PolarHBondContact O-N 3.08Å; S10-G14 VanDerWaalsContact O-CA 3.22Å; S10-G14 WeakPolarHBondContact O-CA 3.45Å; S10-G14 PolarHBondContact O-N 3Å |
| 11 | P | 66.4 | Low | 57.3 | Low | 77 Ų | 77 | 97.8 Ų | 97.8 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.2 | -27.6 | 171.5 | -21.5 | 34.1 | 0 | 0 | 0 | 114.1 | L7 L15 | L7-P11 WeakPolarHBondContact O-CD 3.06Å; P11-L15 WeakPolarHBondContact O-CB 3.07Å; P11-L15 WeakPolarHBondContact O-CG 3.22Å; P11-L15 PolarHBondContact O-N 2.9Å |
| 12 | V | 66.4 | Low | 56.6 | Low | 72 Ų | 72 | 94.7 Ų | 94.7 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -84.3 | -46 | -177.3 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | L9 S10 G14 L15 L16 | L9-V12 CarbonylContact O-C 3.46Å; L9-V12 PolarHBondContact O-N 3.23Å; S10-V12 VanDerWaalsContact C-N 3.34Å; S10-V12 PolarHBondContact O-N 3.08Å; V12-G14 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 2.04Å; V12-L16 VanDerWaalsContact O-CB 3.25Å; V12-L16 WeakPolarHBondContact O-CB 3.13Å; V12-L16 PolarHBondContact O-N 3.09Å |
| 13 | L | 59.1 | Low | 56.2 | Low | 101 Ų | 101 | 92.6 Ų | 92.6 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 164.3 | -97.3 | 65.9 | 0 | 0 | 0 | 110.2 | L9 L16 V17 | L9-L13 HydrophobicContact CB-CD1 4.49Å; L9-L13 HydrophobicContact CD2-CD1 4.29Å; L9-L13 PolarHBondContact O-N 2.77Å; L13-L16 PolarHBondContact O-N 2.85Å; L13-V17 VanDerWaalsContact O-CB 3.24Å; L13-V17 WeakPolarHBondContact O-CB 3.4Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.34Å; L13-V17 PolarHBondContact O-N 3.38Å |
| 14 | G | 59 | Low | 55.4 | Low | 24 Ų | 24 | 94.2 Ų | 94.2 | 25% | 0.247 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -52.1 | -57.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S10 V12 L16 V17 L18 | S10-G14 VanDerWaalsContact O-CA 3.22Å; S10-G14 WeakPolarHBondContact O-CA 3.45Å; S10-G14 PolarHBondContact O-N 3Å; V12-G14 PolarHBondContact O-N 3.39Å; G14-L16 VanDerWaalsContact C-N 3.28Å; G14-L16 PolarHBondContact O-N 2.9Å; G14-V17 PolarHBondContact O-N 2.94Å; G14-L18 WeakPolarHBondContact O-CA 3.22Å; G14-L18 WeakPolarHBondContact O-CB 3.06Å; G14-L18 VanDerWaalsContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CD1 3.05Å; G14-L18 PolarHBondContact O-N 3.34Å |
| 15 | L | 55.6 | Low | 54.8 | Low | 129 Ų | 129 | 94.2 Ų | 94.2 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.8 | -13 | 179.4 | -79.8 | 163.6 | 0 | 0 | 0 | 115.5 | P11 V12 P19 | P11-L15 WeakPolarHBondContact O-CB 3.07Å; P11-L15 WeakPolarHBondContact O-CG 3.22Å; P11-L15 PolarHBondContact O-N 2.9Å; V12-L15 PolarHBondContact O-N 2.04Å; L15-P19 WeakPolarHBondContact O-CD 3.49Å |
| 16 | L | 51.5 | Low | 54.4 | Low | 81 Ų | 81 | 92.4 Ų | 92.4 | 42% | 0.424 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -103 | -19.3 | 178.4 | -157 | 143.1 | 0 | 0 | 0 | 112.6 | V12 L13 G14 P19 L366 | V12-L16 VanDerWaalsContact O-CB 3.25Å; V12-L16 WeakPolarHBondContact O-CB 3.13Å; V12-L16 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 2.85Å; G14-L16 VanDerWaalsContact C-N 3.28Å; G14-L16 PolarHBondContact O-N 2.9Å; L16-P19 WeakPolarHBondContact O-CG 3.45Å; L16-L366 HydrophobicContact CD1-CD1 4.39Å |
| 17 | V | 50.2 | Low | 54.3 | Low | 66 Ų | 66 | 88 Ų | 88 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -101.3 | -20.3 | 171.2 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | L13 G14 C20 L21 | L13-V17 VanDerWaalsContact O-CB 3.24Å; L13-V17 WeakPolarHBondContact O-CB 3.4Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.34Å; L13-V17 PolarHBondContact O-N 3.38Å; G14-V17 PolarHBondContact O-N 2.94Å; V17-C20 CarbonylContact O-C 3.59Å; V17-C20 WeakPolarHBondContact O-CA 3.01Å; V17-C20 WeakPolarHBondContact O-CB 2.97Å; V17-C20 PolarHBondContact O-N 3.37Å; V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 HydrophobicContact CG1-CG 3.93Å; V17-L21 PolarHBondContact O-N 3.3Å |
| 18 | L | 42.1 | Very low | 54.8 | Low | 91 Ų | 91 | 88.2 Ų | 88.2 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 166.5 | -107.5 | 61.4 | 0 | 0 | 0 | 113 | G14 C20 L21 S22 S23 | G14-L18 WeakPolarHBondContact O-CA 3.22Å; G14-L18 WeakPolarHBondContact O-CB 3.06Å; G14-L18 VanDerWaalsContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CD1 3.05Å; G14-L18 PolarHBondContact O-N 3.34Å; L18-C20 PolarHBondContact O-N 3.25Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-S22 CarbonylContact O-C 3.54Å; L18-S22 WeakPolarHBondContact O-CA 3.42Å; L18-S22 WeakPolarHBondContact O-CB 3.36Å; L18-S22 PolarHBondContact O-N 3.41Å; L18-S23 PolarHBondContact O-N 3.49Å; L18-S23 VanDerWaalsContact O-N 3.12Å |
| 19 | P | 47 | Very low | 55.7 | Low | 74 Ų | 74 | 84.8 Ų | 84.8 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | 2.3 | 170.2 | 25.8 | -34.8 | 0 | 0 | 0 | 114.1 | L15 L16 S23 | L15-P19 WeakPolarHBondContact O-CD 3.49Å; L16-P19 WeakPolarHBondContact O-CG 3.45Å; P19-S23 WeakPolarHBondContact O-CB 3.37Å; P19-S23 PolarHBondContact O-OG 3.47Å; P19-S23 VanDerWaalsContact O-OG 3.07Å |
| 20 | C | 42.7 | Very low | 57.1 | Low | 97 Ų | 97 | 85.2 Ų | 85.2 | 66% | 0.655 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -113.4 | -29.6 | 170.2 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | V17 L18 | V17-C20 CarbonylContact O-C 3.59Å; V17-C20 WeakPolarHBondContact O-CA 3.01Å; V17-C20 WeakPolarHBondContact O-CB 2.97Å; V17-C20 PolarHBondContact O-N 3.37Å; L18-C20 PolarHBondContact O-N 3.25Å |
| 21 | L | 44.9 | Very low | 58.3 | Low | 140 Ų | 140 | 84 Ų | 84 | 73% | 0.733 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -97.1 | -23 | 177.1 | -70.6 | 173.7 | 0 | 0 | 0 | 113.9 | V17 L18 | V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 HydrophobicContact CG1-CG 3.93Å; V17-L21 PolarHBondContact O-N 3.3Å; L18-L21 PolarHBondContact O-N 3.24Å |
| 22 | S | 40.4 | Very low | 59.7 | Low | 83 Ų | 83 | 83.5 Ų | 83.5 | 58% | 0.58 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -124.2 | 11.9 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 111 | L18 H24 | L18-S22 CarbonylContact O-C 3.54Å; L18-S22 WeakPolarHBondContact O-CA 3.42Å; L18-S22 WeakPolarHBondContact O-CB 3.36Å; L18-S22 PolarHBondContact O-N 3.41Å; S22-H24 PolarHBondContact O-N 3.12Å |
| 23 | S | 44.2 | Very low | 61 | Low | 78 Ų | 78 | 82.1 Ų | 82.1 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -52.3 | 116 | 131.8 | -119.5 | 0 | 0 | 0 | 0 | 105.5 | L18 P19 | L18-S23 PolarHBondContact O-N 3.49Å; L18-S23 VanDerWaalsContact O-N 3.12Å; P19-S23 WeakPolarHBondContact O-CB 3.37Å; P19-S23 PolarHBondContact O-OG 3.47Å; P19-S23 VanDerWaalsContact O-OG 3.07Å |
| 24 | H | 45.9 | Very low | 62.8 | Low | 161 Ų | 161 | 80.5 Ų | 80.5 | 75% | 0.745 | 48% | 0.484 | S | S | * | . | trans | -39.7 | 149.1 | -178.4 | -107.4 | -118.6 | 0 | 0 | 0 | 112 | S22 A26 | S22-H24 PolarHBondContact O-N 3.12Å; H24-A26 HydrophobicContact CB-CB 3.85Å; H24-A26 PolarHBondContact O-N 3.02Å | ||
| 25 | V | 48.1 | Very low | 64.5 | Low | 133 Ų | 133 | 84 Ų | 84 | 81% | 0.806 | 49% | 0.494 | S | S | * | . | trans | -66.5 | 75.5 | 140.1 | -177.5 | 0 | 0 | 0 | 0 | 105.6 | S27 | V25-S27 PolarHBondContact O-N 3.34Š| ||
| 26 | A | 50.1 | Low | 66.5 | Low | 68 Ų | 68 | 83.2 Ų | 83.2 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | trans | -79.2 | 105.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 101.3 | H24 Q28 | H24-A26 HydrophobicContact CB-CB 3.85Å; H24-A26 PolarHBondContact O-N 3.02Å; A26-Q28 PolarHBondContact O-N 3.19Å; A26-Q28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | S | 58.9 | Low | 68.6 | Low | 29 Ų | 29 | 81 Ų | 81 | 20% | 0.203 | 48% | 0.482 | C | S | . | . | trans | -30.9 | 115.5 | -166.6 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | V25 F29 E87 | V25-S27 PolarHBondContact O-N 3.34Å; S27-F29 VanDerWaalsContact CB-CZ 3.46Å; S27-F29 PolarHBondContact O-N 3.13Å; S27-F29 VanDerWaalsContact OG-CE1 3.22Å; S27-F29 WeakPolarHBondContact OG-CE1 3.32Å; S27-F29 WeakPolarHBondContact OG-CZ 3.4Å; S27-E87 WeakPolarHBondContact CB-OE1 3.5Å; S27-E87 VanDerWaalsContact CB-OE2 3.27Å; S27-E87 WeakPolarHBondContact CB-OE2 3.37Å; S27-E87 PolarHBondContact OG-OE1 3.36Å; S27-E87 VanDerWaalsContact OG-OE1 3.13Å; S27-E87 PolarHBondContact OG-OE2 2.97Å | ||
| 28 | Q | 80.2 | Confident | 70.8 | Confident | 116 Ų | 116 | 84.5 Ų | 84.5 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -72.8 | 26.2 | 169.3 | -61.1 | -172.3 | 29.7 | 0 | 0 | 111.1 | A26 P71 | A26-Q28 PolarHBondContact O-N 3.19Å; A26-Q28 VanDerWaalsContact O-N 3.16Å; Q28-P71 WeakPolarHBondContact O-CD 3.31Å |
| 29 | F | 88.5 | Confident | 73.3 | Confident | 22 Ų | 22 | 85 Ų | 85 | 10% | 0.096 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -134.8 | 147.2 | 175.8 | 64.3 | -98.4 | 0 | 0 | 0 | 108.5 | S27 I31 L68 T69 I79 L84 E87 | S27-F29 VanDerWaalsContact CB-CZ 3.46Å; S27-F29 PolarHBondContact O-N 3.13Å; S27-F29 VanDerWaalsContact OG-CE1 3.22Å; S27-F29 WeakPolarHBondContact OG-CE1 3.32Å; S27-F29 WeakPolarHBondContact OG-CZ 3.4Å; F29-I31 HydrophobicContact CE2-CG1 4.41Å; F29-L68 HydrophobicContact CB-CB 4.48Å; F29-L68 HydrophobicContact CD2-CD1 4.39Å; F29-L68 HydrophobicContact CD2-CD2 4.03Å; F29-L68 HydrophobicContact CE2-CD2 4.49Å; F29-T69 CarbonylContact C-O 3.55Å; F29-T69 WeakPolarHBondContact CA-O 3.3Å; F29-T69 WeakPolarHBondContact CB-O 3.38Å; F29-I79 HydrophobicContact CB-CD1 3.95Å; F29-I79 HydrophobicContact CD1-CD1 3.19Å; F29-I79 HydrophobicContact CD1-CG1 3.74Å; F29-I79 HydrophobicContact CD1-CG2 4.46Å; F29-I79 HydrophobicContact CD2-CD1 4.42Å; F29-I79 HydrophobicContact CE1-CB 4.46Å; F29-I79 HydrophobicContact CE1-CD1 3.68Å; F29-I79 HydrophobicContact CE1-CG1 3.77Å; F29-I79 HydrophobicContact CE1-CG2 3.82Å; F29-I79 HydrophobicContact CG-CD1 3.61Å; F29-I79 HydrophobicContact CZ-CD1 4.48Å; F29-I79 HydrophobicContact CZ-CG2 3.93Å; F29-L84 HydrophobicContact CD2-CD2 4.41Å; F29-L84 HydrophobicContact CE2-CD2 3.63Å; F29-L84 HydrophobicContact CE2-CG 4.5Å; F29-L84 HydrophobicContact CZ-CD2 4.14Å; F29-E87 VanDerWaalsContact CE2-OE2 3.3Å; F29-E87 WeakPolarHBondContact CE2-OE2 3.46Å; F29-E87 VanDerWaalsContact CZ-OE2 3.3Å; F29-E87 WeakPolarHBondContact CZ-OE2 3.06Å |
| 30 | S | 91.1 | Very high | 75.6 | Confident | 70 Ų | 70 | 87.5 Ų | 87.5 | 49% | 0.49 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.9 | 171.4 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | V32 L68 T69 | S30-V32 PolarHBondContact O-N 3.27Å; S30-V32 VanDerWaalsContact O-N 3.14Å; S30-L68 WeakPolarHBondContact O-CA 3.3Å; S30-T69 WeakPolarHBondContact CB-OG1 3.22Å; S30-T69 PolarHBondContact N-O 2.87Å; S30-T69 PolarHBondContact O-N 2.86Å; S30-T69 PolarHBondContact O-OG1 2.91Å |
| 31 | I | 92.9 | Very high | 78.1 | Confident | 53 Ų | 53 | 86.6 Ų | 86.6 | 27% | 0.272 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 99.7 | 177.5 | -52.3 | 176.6 | 0 | 0 | 0 | 107.7 | F29 F66 L68 L84 | F29-I31 HydrophobicContact CE2-CG1 4.41Å; I31-F66 HydrophobicContact CG2-CD1 4.07Å; I31-L68 HydrophobicContact CB-CD2 4.38Å; I31-L68 HydrophobicContact CG1-CD2 3.85Å; I31-L84 HydrophobicContact CD1-CD2 3.86Å; I31-L84 HydrophobicContact CG1-CD2 4.05Å |
| 32 | V | 94.3 | Very high | 80.6 | Confident | 66 Ų | 66 | 83.8 Ų | 83.8 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -36.5 | -177.8 | -171.4 | 0 | 0 | 0 | 0 | 111 | S30 F67 T69 | S30-V32 PolarHBondContact O-N 3.27Å; S30-V32 VanDerWaalsContact O-N 3.14Å; V32-F67 PolarHBondContact N-O 2.81Å; V32-T69 HydrophobicContact CG2-CG2 3.75Å; V32-T69 WeakPolarHBondContact CG2-OG1 3.19Å |
| 33 | A | 95.1 | Very high | 83.2 | Confident | 42 Ų | 42 | 80 Ų | 80 | 35% | 0.347 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 163.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F67 | A33-F67 HydrophobicContact CB-CB 4.45Å; A33-F67 HydrophobicContact CB-CD2 3.81Å; A33-F67 PolarHBondContact O-N 3.18Å |
| 34 | S | 95.3 | Very high | 85.7 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.4 | 163.8 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | C65 | S34-C65 CarbonylContact C-O 3.49Å; S34-C65 WeakPolarHBondContact CA-O 3.45Å |
| 35 | Q | 96.6 | Very high | 88.1 | Confident | 98 Ų | 98 | 77.4 Ų | 77.4 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 134.9 | -177.3 | -170.5 | 172 | 26.1 | 0 | 0 | 110.8 | M37 C65 F67 | Q35-M37 HydrophobicContact CG-CE 4.41Å; Q35-M37 HydrophobicContact CG-CG 4.49Å; Q35-M37 VanDerWaalsContact OE1-CE 3.29Å; Q35-C65 PolarHBondContact N-O 3.47Å; Q35-C65 PolarHBondContact O-N 2.9Å; Q35-F67 HydrophobicContact CB-CE2 3.8Å; Q35-F67 HydrophobicContact CB-CZ 4.37Å |
| 36 | T | 96.8 | Very high | 90.4 | Very high | 111 Ų | 111 | 72 Ų | 72 | 68% | 0.681 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.3 | 172.9 | 37.1 | 0 | 0 | 0 | 0 | 110.8 | S63 | T36-S63 CarbonylContact C-O 3.46Å; T36-S63 VanDerWaalsContact CA-O 3.26Å; T36-S63 WeakPolarHBondContact CA-O 3.34Å |
| 37 | M | 95.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 69.2 Ų | 69.2 | 18% | 0.177 | 39% | 0.39 | C | S | . | . | trans | -142 | 135.4 | -178.1 | -74.1 | -172.3 | 161.1 | 0 | 0 | 110.2 | Q35 E39 H42 A46 F58 S63 C65 | Q35-M37 HydrophobicContact CG-CE 4.41Å; Q35-M37 HydrophobicContact CG-CG 4.49Å; Q35-M37 VanDerWaalsContact OE1-CE 3.29Å; M37-E39 VanDerWaalsContact C-N 3.27Å; M37-E39 PolarHBondContact O-N 3.36Å; M37-H42 HydrophobicContact SD-CB 4.06Å; M37-A46 HydrophobicContact CE-CB 3.63Å; M37-A46 HydrophobicContact SD-CB 4.34Å; M37-F58 HydrophobicContact CB-CE2 4.47Å; M37-F58 WeakPolarHBondContact O-CE2 3.21Å; M37-S63 PolarHBondContact N-O 3.11Å; M37-S63 CarbonylContact O-C 3.19Å; M37-S63 WeakPolarHBondContact O-CB 3.42Å; M37-S63 VanDerWaalsContact O-O 3.06Å; M37-C65 HydrophobicContact SD-CB 4.4Å | ||
| 38 | T | 95 | Very high | 94.4 | Very high | 138 Ų | 138 | 72.9 Ų | 72.9 | 85% | 0.847 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -73.9 | -15 | -176.6 | 47 | 0 | 0 | 0 | 0 | 114.3 | ||
| 39 | E | 95 | Very high | 95.1 | Very high | 103 Ų | 103 | 74.1 Ų | 74.1 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | trans | -144.6 | 140.6 | -169.9 | -160.9 | 173.3 | -172.2 | 0 | 0 | 111.6 | M37 T41 H42 | M37-E39 VanDerWaalsContact C-N 3.27Å; M37-E39 PolarHBondContact O-N 3.36Å; E39-T41 WeakPolarHBondContact CG-OG1 3.44Å; E39-T41 PolarHBondContact O-N 2.03Å; E39-H42 IonicContact OE2-CE1 3.68Å; E39-H42 PolarHBondContact OE2-CE1 3.47Å; E39-H42 VanDerWaalsContact OE2-CE1 3.23Å; E39-H42 IonicContact OE2-ND1 3.23Å | ||
| 40 | Q | 95.1 | Very high | 95.1 | Very high | 126 Ų | 126 | 75.8 Ų | 75.8 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.7 | -30 | -171.3 | -179.4 | 171.3 | -7.5 | 0 | 0 | 113.4 | C43 F58 | Q40-C43 WeakPolarHBondContact O-CB 3.32Å; Q40-C43 PolarHBondContact O-N 3.23Å; Q40-F58 HydrophobicContact CB-CD1 3.68Å; Q40-F58 HydrophobicContact CB-CE1 4.01Å; Q40-F58 HydrophobicContact CB-CG 4.06Å; Q40-F58 HydrophobicContact CG-CB 3.91Å; Q40-F58 HydrophobicContact CG-CD1 3.84Å; Q40-F58 HydrophobicContact CG-CG 4Å |
| 41 | T | 95.8 | Very high | 95 | Very high | 78 Ų | 78 | 81.9 Ų | 81.9 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 179.3 | 42.8 | 0 | 0 | 0 | 0 | 112.2 | E39 C43 S44 E45 | E39-T41 WeakPolarHBondContact CG-OG1 3.44Å; E39-T41 PolarHBondContact O-N 2.03Å; T41-C43 PolarHBondContact O-N 3.14Å; T41-S44 PolarHBondContact O-N 3.13Å; T41-S44 PolarHBondContact O-OG 3.16Å; T41-E45 PolarHBondContact O-N 3.24Å |
| 42 | H | 96.9 | Very high | 95 | Very high | 80 Ų | 80 | 82.7 Ų | 82.7 | 37% | 0.37 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.3 | -21.9 | -179.7 | -56.8 | 124.8 | 0 | 0 | 0 | 113.3 | M37 E39 E45 A46 | M37-H42 HydrophobicContact SD-CB 4.06Å; E39-H42 IonicContact OE2-CE1 3.68Å; E39-H42 PolarHBondContact OE2-CE1 3.47Å; E39-H42 VanDerWaalsContact OE2-CE1 3.23Å; E39-H42 IonicContact OE2-ND1 3.23Å; H42-E45 IonicContact CD2-OE2 3.73Å; H42-E45 PolarHBondContact O-N 2.82Å; H42-A46 VanDerWaalsContact O-CB 3.22Å; H42-A46 WeakPolarHBondContact O-CB 3.41Å; H42-A46 PolarHBondContact O-N 2.92Å |
| 43 | C | 96.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 80.5 Ų | 80.5 | 3% | 0.027 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | 177 | 178.6 | 0 | 0 | 0 | 0 | 112 | Q40 T41 C47 F58 C65 | Q40-C43 WeakPolarHBondContact O-CB 3.32Å; Q40-C43 PolarHBondContact O-N 3.23Å; T41-C43 PolarHBondContact O-N 3.14Å; C43-C47 WeakPolarHBondContact O-CB 3.49Å; C43-C47 PolarHBondContact O-N 2.02Å; C43-C47 VanDerWaalsContact O-N 3.14Å; C43-F58 HydrophobicContact CB-CB 4.33Å; C43-F58 HydrophobicContact CB-CD2 4.16Å; C43-C65 WeakPolarHBondContact CA-SG 3.44Å; C43-C65 HydrophobicContact CB-CB 3.72Å; C43-C65 WeakPolarHBondContact CB-SG 3.48Å; C43-C65 WeakPolarHBondContact SG-CB 3.39Å; C43-C65 CovalentContact SG-SG 2.03Å; C43-C65 PolarHBondContact SG-SG 3.08Å |
| 44 | S | 94.9 | Very high | 95 | Very high | 71 Ų | 71 | 83.5 Ų | 83.5 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.9 | -34.5 | 173.4 | 30.7 | 0 | 0 | 0 | 0 | 113.2 | T41 S48 | T41-S44 PolarHBondContact O-N 3.13Å; T41-S44 PolarHBondContact O-OG 3.16Å; S44-S48 PolarHBondContact O-N 3.17Å; S44-S48 VanDerWaalsContact O-N 3.08Å; S44-S48 PolarHBondContact O-OG 2.95Å |
| 45 | E | 96.7 | Very high | 95 | Very high | 113 Ų | 113 | 82.7 Ų | 82.7 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.9 | -45 | 178.2 | -171.8 | 173.9 | -166.7 | 0 | 0 | 111.5 | T41 H42 C47 S48 L49 | T41-E45 PolarHBondContact O-N 3.24Å; H42-E45 IonicContact CD2-OE2 3.73Å; H42-E45 PolarHBondContact O-N 2.82Å; E45-C47 VanDerWaalsContact C-N 3.3Å; E45-C47 PolarHBondContact O-N 3.28Å; E45-S48 CarbonylContact O-C 3.59Å; E45-S48 WeakPolarHBondContact O-CA 3.29Å; E45-S48 WeakPolarHBondContact O-CB 3.38Å; E45-S48 PolarHBondContact O-N 3.07Å; E45-L49 WeakPolarHBondContact O-CG 3.43Å; E45-L49 PolarHBondContact O-N 2.92Å |
| 46 | A | 96.3 | Very high | 95 | Very high | 19 Ų | 19 | 79.1 Ų | 79.1 | 16% | 0.157 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.6 | -32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M37 H42 L49 N50 F67 | M37-A46 HydrophobicContact CE-CB 3.63Å; M37-A46 HydrophobicContact SD-CB 4.34Å; H42-A46 VanDerWaalsContact O-CB 3.22Å; H42-A46 WeakPolarHBondContact O-CB 3.41Å; H42-A46 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 2.91Å; A46-N50 PolarHBondContact O-N 2.84Å; A46-F67 HydrophobicContact CB-CE1 3.93Å; A46-F67 HydrophobicContact CB-CZ 3.86Å |
| 47 | C | 96.5 | Very high | 95 | Very high | 11 Ų | 11 | 74.6 Ų | 74.6 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 167.9 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | C43 E45 L49 N50 C53 A56 F67 | C43-C47 WeakPolarHBondContact O-CB 3.49Å; C43-C47 PolarHBondContact O-N 2.02Å; C43-C47 VanDerWaalsContact O-N 3.14Å; E45-C47 VanDerWaalsContact C-N 3.3Å; E45-C47 PolarHBondContact O-N 3.28Å; C47-L49 PolarHBondContact O-N 3.14Å; C47-N50 PolarHBondContact O-N 3.1Å; C47-N50 VanDerWaalsContact O-O 3.1Å; C47-C53 VanDerWaalsContact CA-SG 3.53Å; C47-C53 HydrophobicContact CB-CB 3.97Å; C47-C53 WeakPolarHBondContact CB-SG 3.26Å; C47-C53 WeakPolarHBondContact O-CB 3.35Å; C47-C53 WeakPolarHBondContact SG-CB 3.26Å; C47-C53 CovalentContact SG-SG 2.04Å; C47-C53 PolarHBondContact SG-SG 2.75Å; C47-A56 HydrophobicContact CB-CB 3.6Å; C47-F67 HydrophobicContact CB-CD1 3.98Å; C47-F67 HydrophobicContact CB-CE1 4.17Å |
| 48 | S | 96 | Very high | 95 | Very high | 105 Ų | 105 | 74.3 Ų | 74.3 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.3 | -24.5 | 179.4 | -51.7 | 0 | 0 | 0 | 0 | 113.7 | S44 E45 | S44-S48 PolarHBondContact O-N 3.17Å; S44-S48 VanDerWaalsContact O-N 3.08Å; S44-S48 PolarHBondContact O-OG 2.95Å; E45-S48 CarbonylContact O-C 3.59Å; E45-S48 WeakPolarHBondContact O-CA 3.29Å; E45-S48 WeakPolarHBondContact O-CB 3.38Å; E45-S48 PolarHBondContact O-N 3.07Å |
| 49 | L | 95.4 | Very high | 95.1 | Very high | 143 Ų | 143 | 69 Ų | 69 | 75% | 0.749 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -82.9 | -15.2 | 173.5 | -68.1 | 171.8 | 0 | 0 | 0 | 113.7 | E45 A46 C47 | E45-L49 WeakPolarHBondContact O-CG 3.43Å; E45-L49 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 2.91Å; C47-L49 PolarHBondContact O-N 3.14Å |
| 50 | N | 90 | Very high | 95.2 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -102.9 | 111.5 | -178.8 | -178.3 | 9.4 | 0 | 0 | 0 | 110.6 | A46 C47 T52 C53 | A46-N50 PolarHBondContact O-N 2.84Å; C47-N50 PolarHBondContact O-N 3.1Å; C47-N50 VanDerWaalsContact O-O 3.1Å; N50-T52 PolarHBondContact O-N 2.96Å; N50-T52 PolarHBondContact OD1-N 3.25Å; N50-T52 PolarHBondContact OD1-OG1 3.48Å; N50-T52 VanDerWaalsContact OD1-OG1 3.09Å; N50-C53 HydrophobicContact CB-CB 4.12Å; N50-C53 PolarHBondContact O-N 3.33Å |
| 51 | M | 87.2 | Confident | 95.2 | Very high | 197 Ų | 197 | 72.5 Ų | 72.5 | 97% | 0.97 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -4.6 | -175.3 | -56.6 | -169.6 | 78.3 | 0 | 0 | 115.3 | ||
| 52 | T | 94 | Very high | 95.1 | Very high | 70 Ų | 70 | 74.2 Ų | 74.2 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 7.1 | 173.9 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | N50 T69 | N50-T52 PolarHBondContact O-N 2.96Å; N50-T52 PolarHBondContact OD1-N 3.25Å; N50-T52 PolarHBondContact OD1-OG1 3.48Å; N50-T52 VanDerWaalsContact OD1-OG1 3.09Å; T52-T69 WeakPolarHBondContact O-CG2 3.48Å |
| 53 | C | 95.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 73 Ų | 73 | 14% | 0.135 | 39% | 0.389 | C | S | . | . | trans | -99 | 109 | 179.1 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | C47 N50 H55 F67 | C47-C53 VanDerWaalsContact CA-SG 3.53Å; C47-C53 HydrophobicContact CB-CB 3.97Å; C47-C53 WeakPolarHBondContact CB-SG 3.26Å; C47-C53 WeakPolarHBondContact O-CB 3.35Å; C47-C53 WeakPolarHBondContact SG-CB 3.26Å; C47-C53 CovalentContact SG-SG 2.04Å; C47-C53 PolarHBondContact SG-SG 2.75Å; N50-C53 HydrophobicContact CB-CB 4.12Å; N50-C53 PolarHBondContact O-N 3.33Å; C53-H55 PolarHBondContact SG-O 3.32Å; C53-F67 HydrophobicContact CB-CB 4.49Å | ||
| 54 | D | 94.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 73.7 Ų | 73.7 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -85.4 | -32.6 | 173.5 | -65.1 | -62.6 | 0 | 0 | 0 | 111.7 | L68 T69 C70 | D54-L68 PolarHBondContact N-O 3.47Å; D54-T69 VanDerWaalsContact OD2-CA 3.32Å; D54-T69 WeakPolarHBondContact OD2-CA 3.1Å; D54-C70 HydrophobicContact CB-CB 3.69Å; D54-C70 PolarHBondContact OD2-N 2.86Å |
| 55 | H | 95.1 | Very high | 95.2 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152 | 178.7 | -163.5 | 53.8 | 0 | 0 | 0 | 112 | C53 L68 C76 | C53-H55 PolarHBondContact SG-O 3.32Å; H55-L68 HydrophobicContact CB-CB 4.47Å; H55-L68 PolarHBondContact N-O 2.8Å; H55-L68 VanDerWaalsContact N-O 3.16Å; H55-L68 WeakPolarHBondContact O-CB 3.34Å; H55-L68 PolarHBondContact O-N 3.48Å; H55-C76 HydrophobicContact CB-CB 3.87Å; H55-C76 PolarHBondContact CD2-O 3.36Å |
| 56 | A | 95.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 65 Ų | 65 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C47 F66 F67 | C47-A56 HydrophobicContact CB-CB 3.6Å; A56-F66 WeakPolarHBondContact CA-O 3.38Å; A56-F67 HydrophobicContact CB-CD1 4.01Å; A56-F67 HydrophobicContact CB-CE1 4.46Å |
| 57 | V | 96.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.6 | -174.4 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | F66 L68 V81 L84 | V57-F66 PolarHBondContact N-O 3.08Å; V57-F66 PolarHBondContact O-N 3.26Å; V57-L68 HydrophobicContact CG2-CD1 3.98Å; V57-V81 HydrophobicContact CG1-CG2 3.75Å; V57-L84 HydrophobicContact CB-CD1 3.65Å; V57-L84 HydrophobicContact CG1-CD1 3.63Å; V57-L84 HydrophobicContact CG2-CD1 3.94Å |
| 58 | F | 96.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 64 Ų | 64 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.4 | -178.6 | -175.2 | -109.1 | 0 | 0 | 0 | 112 | M37 Q40 C43 K60 | M37-F58 HydrophobicContact CB-CE2 4.47Å; M37-F58 WeakPolarHBondContact O-CE2 3.21Å; Q40-F58 HydrophobicContact CB-CD1 3.68Å; Q40-F58 HydrophobicContact CB-CE1 4.01Å; Q40-F58 HydrophobicContact CB-CG 4.06Å; Q40-F58 HydrophobicContact CG-CB 3.91Å; Q40-F58 HydrophobicContact CG-CD1 3.84Å; Q40-F58 HydrophobicContact CG-CG 4Å; C43-F58 HydrophobicContact CB-CB 4.33Å; C43-F58 HydrophobicContact CB-CD2 4.16Å; F58-K60 HydrophobicContact CD1-CB 4.41Å; F58-K60 HydrophobicContact CE1-CB 4.23Å; F58-K60 HydrophobicContact CE1-CG 4.41Å; F58-K60 PolarHBondContact O-N 3.01Å |
| 59 | W | 96.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 11% | 0.106 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 100 | 171.3 | -172.6 | 7 | 0 | 0 | 0 | 110.6 | E61 K62 S63 T64 F66 V81 I85 | W59-E61 PolarHBondContact NE1-OE2 3.01Å; W59-E61 PolarHBondContact O-N 2.87Å; W59-K62 HydrophobicContact CD2-CB 4.14Å; W59-K62 HydrophobicContact CD2-CD 4.12Å; W59-K62 HydrophobicContact CD2-CG 4.03Å; W59-K62 HydrophobicContact CE3-CB 4.29Å; W59-K62 HydrophobicContact CE3-CD 3.72Å; W59-K62 HydrophobicContact CE3-CG 4.14Å; W59-K62 HydrophobicContact CG-CB 4.42Å; W59-K62 HydrophobicContact CH2-CD 3.68Å; W59-K62 HydrophobicContact CH2-CG 4.31Å; W59-K62 HydrophobicContact CZ2-CD 4.01Å; W59-K62 HydrophobicContact CZ2-CG 4.12Å; W59-K62 HydrophobicContact CZ3-CD 3.52Å; W59-K62 HydrophobicContact CZ3-CG 4.31Å; W59-K62 VanDerWaalsContact CZ3-NZ 3.3Å; W59-K62 PolarHBondContact O-N 2.99Å; W59-S63 PolarHBondContact O-N 3.45Å; W59-T64 WeakPolarHBondContact CB-O 3.42Å; W59-T64 PolarHBondContact N-O 3.46Å; W59-T64 PolarHBondContact O-N 2.98Å; W59-T64 VanDerWaalsContact O-N 3.08Å; W59-F66 HydrophobicContact CB-CD2 4.48Å; W59-F66 HydrophobicContact CB-CE2 3.92Å; W59-F66 HydrophobicContact CD2-CE2 4.48Å; W59-F66 AromaticContact CE3-CE2 3.78Å; W59-F66 HydrophobicContact CE3-CE2 3.78Å; W59-F66 AromaticContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CZ3-CZ 4.44Å; W59-V81 HydrophobicContact CB-CG1 3.94Å; W59-V81 HydrophobicContact CD2-CG1 4.22Å; W59-V81 HydrophobicContact CG-CG1 3.7Å; W59-I85 HydrophobicContact CD2-CD1 4.4Å; W59-I85 HydrophobicContact CD2-CG1 4.33Å; W59-I85 HydrophobicContact CE3-CG1 4.23Å; W59-I85 HydrophobicContact CH2-CB 4.49Å; W59-I85 HydrophobicContact CH2-CD1 3.84Å; W59-I85 HydrophobicContact CH2-CG1 3.5Å; W59-I85 VanDerWaalsContact CH2-CG1 3.5Å; W59-I85 HydrophobicContact CH2-CG2 4.37Å; W59-I85 HydrophobicContact CZ2-CD1 3.43Å; W59-I85 VanDerWaalsContact CZ2-CD1 3.43Å; W59-I85 HydrophobicContact CZ2-CG1 3.66Å; W59-I85 HydrophobicContact CZ3-CD1 4.49Å; W59-I85 HydrophobicContact CZ3-CG1 3.81Å |
| 60 | K | 96.2 | Very high | 94.9 | Very high | 152 Ų | 152 | 54.6 Ų | 54.6 | 66% | 0.661 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -61.3 | -41.7 | -174.8 | -170.4 | 174.7 | -177.8 | 175.9 | 0 | 114.2 | F58 K62 S63 | F58-K60 HydrophobicContact CD1-CB 4.41Å; F58-K60 HydrophobicContact CE1-CB 4.23Å; F58-K60 HydrophobicContact CE1-CG 4.41Å; F58-K60 PolarHBondContact O-N 3.01Å; K60-K62 PolarHBondContact O-N 3.47Å; K60-S63 PolarHBondContact O-N 3.46Å |
| 61 | E | 95.2 | Very high | 94.8 | Very high | 149 Ų | 149 | 55 Ų | 55 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -68.7 | -21.4 | -175.9 | -64.5 | 66.2 | -141.8 | 0 | 0 | 113.2 | W59 | W59-E61 PolarHBondContact NE1-OE2 3.01Å; W59-E61 PolarHBondContact O-N 2.87Å |
| 62 | K | 95.3 | Very high | 94.5 | Very high | 115 Ų | 115 | 52.5 Ų | 52.5 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -113.4 | 5.2 | 175.6 | -65.6 | -165.5 | -175.2 | 168.7 | 0 | 113.7 | W59 K60 T64 | W59-K62 HydrophobicContact CD2-CB 4.14Å; W59-K62 HydrophobicContact CD2-CD 4.12Å; W59-K62 HydrophobicContact CD2-CG 4.03Å; W59-K62 HydrophobicContact CE3-CB 4.29Å; W59-K62 HydrophobicContact CE3-CD 3.72Å; W59-K62 HydrophobicContact CE3-CG 4.14Å; W59-K62 HydrophobicContact CG-CB 4.42Å; W59-K62 HydrophobicContact CH2-CD 3.68Å; W59-K62 HydrophobicContact CH2-CG 4.31Å; W59-K62 HydrophobicContact CZ2-CD 4.01Å; W59-K62 HydrophobicContact CZ2-CG 4.12Å; W59-K62 HydrophobicContact CZ3-CD 3.52Å; W59-K62 HydrophobicContact CZ3-CG 4.31Å; W59-K62 VanDerWaalsContact CZ3-NZ 3.3Å; W59-K62 PolarHBondContact O-N 2.99Å; K60-K62 PolarHBondContact O-N 3.47Å; K62-T64 PolarHBondContact O-N 2.77Å; K62-T64 PolarHBondContact O-OG1 3.33Å |
| 63 | S | 96.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 46.9 | -174.1 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | T36 M37 W59 K60 | T36-S63 CarbonylContact C-O 3.46Å; T36-S63 VanDerWaalsContact CA-O 3.26Å; T36-S63 WeakPolarHBondContact CA-O 3.34Å; M37-S63 PolarHBondContact N-O 3.11Å; M37-S63 CarbonylContact O-C 3.19Å; M37-S63 WeakPolarHBondContact O-CB 3.42Å; M37-S63 VanDerWaalsContact O-O 3.06Å; W59-S63 PolarHBondContact O-N 3.45Å; K60-S63 PolarHBondContact O-N 3.46Å |
| 64 | T | 96.8 | Very high | 91.9 | Very high | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.8 | -171.3 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | W59 K62 F66 | W59-T64 WeakPolarHBondContact CB-O 3.42Å; W59-T64 PolarHBondContact N-O 3.46Å; W59-T64 PolarHBondContact O-N 2.98Å; W59-T64 VanDerWaalsContact O-N 3.08Å; K62-T64 PolarHBondContact O-N 2.77Å; K62-T64 PolarHBondContact O-OG1 3.33Å; T64-F66 HydrophobicContact CG2-CE1 4.44Å; T64-F66 HydrophobicContact CG2-CE2 4.34Å; T64-F66 HydrophobicContact CG2-CZ 4.16Å |
| 65 | C | 97.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 133.6 | 170.7 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | S34 Q35 M37 C43 F67 | S34-C65 CarbonylContact C-O 3.49Å; S34-C65 WeakPolarHBondContact CA-O 3.45Å; Q35-C65 PolarHBondContact N-O 3.47Å; Q35-C65 PolarHBondContact O-N 2.9Å; M37-C65 HydrophobicContact SD-CB 4.4Å; C43-C65 WeakPolarHBondContact CA-SG 3.44Å; C43-C65 HydrophobicContact CB-CB 3.72Å; C43-C65 WeakPolarHBondContact CB-SG 3.48Å; C43-C65 WeakPolarHBondContact SG-CB 3.39Å; C43-C65 CovalentContact SG-SG 2.03Å; C43-C65 PolarHBondContact SG-SG 3.08Å; C65-F67 HydrophobicContact CB-CZ 4.17Å; C65-F67 WeakPolarHBondContact SG-CE1 3.41Å; C65-F67 VanDerWaalsContact SG-CZ 3.58Å |
| 66 | F | 96.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.2 | 168 | -64.4 | -80.4 | 0 | 0 | 0 | 109.6 | I31 A56 V57 W59 T64 L68 L84 H88 | I31-F66 HydrophobicContact CG2-CD1 4.07Å; A56-F66 WeakPolarHBondContact CA-O 3.38Å; V57-F66 PolarHBondContact N-O 3.08Å; V57-F66 PolarHBondContact O-N 3.26Å; W59-F66 HydrophobicContact CB-CD2 4.48Å; W59-F66 HydrophobicContact CB-CE2 3.92Å; W59-F66 HydrophobicContact CD2-CE2 4.48Å; W59-F66 AromaticContact CE3-CE2 3.78Å; W59-F66 HydrophobicContact CE3-CE2 3.78Å; W59-F66 AromaticContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CZ3-CZ 4.44Å; T64-F66 HydrophobicContact CG2-CE1 4.44Å; T64-F66 HydrophobicContact CG2-CE2 4.34Å; T64-F66 HydrophobicContact CG2-CZ 4.16Å; F66-L68 HydrophobicContact CB-CD2 4.34Å; F66-L84 HydrophobicContact CD2-CD1 4.49Å; F66-H88 AromaticContact CE1-CD2 3.86Å |
| 67 | F | 96.3 | Very high | 90.2 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126 | 179.6 | -55.5 | -72.7 | 0 | 0 | 0 | 109.8 | V32 A33 Q35 A46 C47 C53 A56 C65 | V32-F67 PolarHBondContact N-O 2.81Å; A33-F67 HydrophobicContact CB-CB 4.45Å; A33-F67 HydrophobicContact CB-CD2 3.81Å; A33-F67 PolarHBondContact O-N 3.18Å; Q35-F67 HydrophobicContact CB-CE2 3.8Å; Q35-F67 HydrophobicContact CB-CZ 4.37Å; A46-F67 HydrophobicContact CB-CE1 3.93Å; A46-F67 HydrophobicContact CB-CZ 3.86Å; C47-F67 HydrophobicContact CB-CD1 3.98Å; C47-F67 HydrophobicContact CB-CE1 4.17Å; C53-F67 HydrophobicContact CB-CB 4.49Å; A56-F67 HydrophobicContact CB-CD1 4.01Å; A56-F67 HydrophobicContact CB-CE1 4.46Å; C65-F67 HydrophobicContact CB-CZ 4.17Å; C65-F67 WeakPolarHBondContact SG-CE1 3.41Å; C65-F67 VanDerWaalsContact SG-CZ 3.58Å |
| 68 | L | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.8 | -167.5 | -48.3 | 179.4 | 0 | 0 | 0 | 110.8 | F29 S30 I31 D54 H55 V57 F66 I79 L84 | F29-L68 HydrophobicContact CB-CB 4.48Å; F29-L68 HydrophobicContact CD2-CD1 4.39Å; F29-L68 HydrophobicContact CD2-CD2 4.03Å; F29-L68 HydrophobicContact CE2-CD2 4.49Å; S30-L68 WeakPolarHBondContact O-CA 3.3Å; I31-L68 HydrophobicContact CB-CD2 4.38Å; I31-L68 HydrophobicContact CG1-CD2 3.85Å; D54-L68 PolarHBondContact N-O 3.47Å; H55-L68 HydrophobicContact CB-CB 4.47Å; H55-L68 PolarHBondContact N-O 2.8Å; H55-L68 VanDerWaalsContact N-O 3.16Å; H55-L68 WeakPolarHBondContact O-CB 3.34Å; H55-L68 PolarHBondContact O-N 3.48Å; V57-L68 HydrophobicContact CG2-CD1 3.98Å; F66-L68 HydrophobicContact CB-CD2 4.34Å; L68-I79 HydrophobicContact CD1-CD1 3.82Å; L68-L84 HydrophobicContact CD1-CD2 4.34Å; L68-L84 HydrophobicContact CD2-CD2 3.72Å |
| 69 | T | 94.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 24% | 0.239 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 148.2 | 158.5 | 28 | 0 | 0 | 0 | 0 | 109.4 | F29 S30 V32 T52 D54 | F29-T69 CarbonylContact C-O 3.55Å; F29-T69 WeakPolarHBondContact CA-O 3.3Å; F29-T69 WeakPolarHBondContact CB-O 3.38Å; S30-T69 WeakPolarHBondContact CB-OG1 3.22Å; S30-T69 PolarHBondContact N-O 2.87Å; S30-T69 PolarHBondContact O-N 2.86Å; S30-T69 PolarHBondContact O-OG1 2.91Å; V32-T69 HydrophobicContact CG2-CG2 3.75Å; V32-T69 WeakPolarHBondContact CG2-OG1 3.19Å; T52-T69 WeakPolarHBondContact O-CG2 3.48Å; D54-T69 VanDerWaalsContact OD2-CA 3.32Å; D54-T69 WeakPolarHBondContact OD2-CA 3.1Å |
| 70 | C | 92.6 | Very high | 89.1 | Confident | 10 Ų | 10 | 64 Ų | 64 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | trans | -131.7 | 69.5 | -174.5 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | D54 N72 C73 C76 | D54-C70 HydrophobicContact CB-CB 3.69Å; D54-C70 PolarHBondContact OD2-N 2.86Å; C70-N72 PolarHBondContact O-N 3.19Å; C70-C73 PolarHBondContact O-N 2.89Å; C70-C76 HydrophobicContact CB-CB 4.17Å; C70-C76 WeakPolarHBondContact CB-SG 3.27Å; C70-C76 WeakPolarHBondContact SG-CB 3.45Å; C70-C76 CovalentContact SG-SG 2.02Å; C70-C76 PolarHBondContact SG-SG 3.4Å | ||
| 71 | P | 86.8 | Confident | 89 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -50.5 | 138.1 | -177.8 | 19.5 | -34 | 0 | 0 | 0 | 113.1 | Q28 T74 | Q28-P71 WeakPolarHBondContact O-CD 3.31Å; P71-T74 PolarHBondContact O-OG1 3.35Å |
| 72 | N | 80.8 | Confident | 88.7 | Confident | 144 Ų | 144 | 54.5 Ų | 54.5 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | 69 | 21.3 | -178.2 | -43.2 | -69.8 | 0 | 0 | 0 | 116 | C70 T74 | C70-N72 PolarHBondContact O-N 3.19Å; N72-T74 PolarHBondContact O-N 3.09Å; N72-T74 VanDerWaalsContact O-N 3.13Å |
| 73 | C | 60.2 | Low | 88.4 | Confident | 130 Ų | 130 | 51.5 Ų | 51.5 | 88% | 0.878 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | 60 | 21.2 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | C70 | C70-C73 PolarHBondContact O-N 2.89Š|
| 74 | T | 74.8 | Confident | 88 | Confident | 53 Ų | 53 | 49 Ų | 49 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | trans | -69.7 | 138.7 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | P71 N72 C76 | P71-T74 PolarHBondContact O-OG1 3.35Å; N72-T74 PolarHBondContact O-N 3.09Å; N72-T74 VanDerWaalsContact O-N 3.13Å; T74-C76 PolarHBondContact O-N 3.45Å | ||
| 75 | N | 78.2 | Confident | 87.7 | Confident | 127 Ų | 127 | 50.5 Ų | 50.5 | 68% | 0.679 | 32% | 0.317 | S | S | * | . | trans | -75.7 | 89.1 | -163.7 | -166.8 | -14.2 | 0 | 0 | 0 | 112.9 | S77 | N75-S77 PolarHBondContact O-N 3.37Å; N75-S77 VanDerWaalsContact OD1-CB 3.26Å; N75-S77 WeakPolarHBondContact OD1-CB 3.24Å; N75-S77 PolarHBondContact OD1-N 2.84Å; N75-S77 PolarHBondContact OD1-OG 3.37Å; N75-S77 VanDerWaalsContact OD1-OG 3.13Å | ||
| 76 | C | 87.9 | Confident | 87.1 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.081 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -59.3 | -8.4 | 178.2 | -79.5 | 0 | 0 | 0 | 0 | 115.8 | H55 C70 T74 S78 I79 | H55-C76 HydrophobicContact CB-CB 3.87Å; H55-C76 PolarHBondContact CD2-O 3.36Å; C70-C76 HydrophobicContact CB-CB 4.17Å; C70-C76 WeakPolarHBondContact CB-SG 3.27Å; C70-C76 WeakPolarHBondContact SG-CB 3.45Å; C70-C76 CovalentContact SG-SG 2.02Å; C70-C76 PolarHBondContact SG-SG 3.4Å; T74-C76 PolarHBondContact O-N 3.45Å; C76-S78 PolarHBondContact O-N 2.98Å; C76-I79 HydrophobicContact CB-CD1 3.64Å; C76-I79 WeakPolarHBondContact O-CD1 3.31Å; C76-I79 VanDerWaalsContact O-CG1 3.29Å; C76-I79 WeakPolarHBondContact O-CG1 3.49Å; C76-I79 PolarHBondContact O-N 2.99Å; C76-I79 VanDerWaalsContact O-N 3.11Å |
| 77 | S | 84.9 | Confident | 86.4 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65.1 | -5.5 | -179.2 | -61.3 | 0 | 0 | 0 | 0 | 114.5 | N75 | N75-S77 PolarHBondContact O-N 3.37Å; N75-S77 VanDerWaalsContact OD1-CB 3.26Å; N75-S77 WeakPolarHBondContact OD1-CB 3.24Å; N75-S77 PolarHBondContact OD1-N 2.84Å; N75-S77 PolarHBondContact OD1-OG 3.37Å; N75-S77 VanDerWaalsContact OD1-OG 3.13Å |
| 78 | S | 87 | Confident | 85.6 | Confident | 106 Ų | 106 | 64 Ų | 64 | 74% | 0.741 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -96.9 | 0.6 | 174.6 | 67.3 | 0 | 0 | 0 | 0 | 114.9 | C76 A80 | C76-S78 PolarHBondContact O-N 2.98Å; S78-A80 PolarHBondContact O-N 3.4Å |
| 79 | I | 89.4 | Confident | 84.8 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | trans | -73.9 | 120 | -178.9 | -60.7 | 161.1 | 0 | 0 | 0 | 109.3 | F29 L68 C76 D83 L84 | F29-I79 HydrophobicContact CB-CD1 3.95Å; F29-I79 HydrophobicContact CD1-CD1 3.19Å; F29-I79 HydrophobicContact CD1-CG1 3.74Å; F29-I79 HydrophobicContact CD1-CG2 4.46Å; F29-I79 HydrophobicContact CD2-CD1 4.42Å; F29-I79 HydrophobicContact CE1-CB 4.46Å; F29-I79 HydrophobicContact CE1-CD1 3.68Å; F29-I79 HydrophobicContact CE1-CG1 3.77Å; F29-I79 HydrophobicContact CE1-CG2 3.82Å; F29-I79 HydrophobicContact CG-CD1 3.61Å; F29-I79 HydrophobicContact CZ-CD1 4.48Å; F29-I79 HydrophobicContact CZ-CG2 3.93Å; L68-I79 HydrophobicContact CD1-CD1 3.82Å; C76-I79 HydrophobicContact CB-CD1 3.64Å; C76-I79 WeakPolarHBondContact O-CD1 3.31Å; C76-I79 VanDerWaalsContact O-CG1 3.29Å; C76-I79 WeakPolarHBondContact O-CG1 3.49Å; C76-I79 PolarHBondContact O-N 2.99Å; C76-I79 VanDerWaalsContact O-N 3.11Å; I79-D83 HydrophobicContact CG2-CB 4.45Å; I79-L84 HydrophobicContact CG2-CD1 4Å; I79-L84 HydrophobicContact CG2-CG 3.96Å | ||
| 80 | A | 90.3 | Very high | 83.8 | Confident | 47 Ų | 47 | 73 Ų | 73 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | trans | -85.6 | 153 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S78 A82 D83 L84 | S78-A80 PolarHBondContact O-N 3.4Å; A80-A82 PolarHBondContact O-N 3.13Å; A80-A82 VanDerWaalsContact O-N 3.13Å; A80-D83 WeakPolarHBondContact CB-OD2 3.39Å; A80-D83 PolarHBondContact N-OD2 2.98Å; A80-D83 WeakPolarHBondContact O-CB 3.37Å; A80-D83 PolarHBondContact O-N 2.93Å; A80-L84 PolarHBondContact O-N 3.46Å | ||
| 81 | V | 92.3 | Very high | 82.2 | Confident | 44 Ų | 44 | 76.7 Ų | 76.7 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -53.3 | -35.1 | 170.7 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | V57 W59 D83 L84 I85 | V57-V81 HydrophobicContact CG1-CG2 3.75Å; W59-V81 HydrophobicContact CB-CG1 3.94Å; W59-V81 HydrophobicContact CD2-CG1 4.22Å; W59-V81 HydrophobicContact CG-CG1 3.7Å; V81-D83 PolarHBondContact O-N 3.27Å; V81-L84 PolarHBondContact O-N 3.39Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.47Å |
| 82 | A | 89.9 | Confident | 80.8 | Confident | 57 Ų | 57 | 78 Ų | 78 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.8 | -17.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A80 R86 | A80-A82 PolarHBondContact O-N 3.13Å; A80-A82 VanDerWaalsContact O-N 3.13Å; A82-R86 WeakPolarHBondContact O-CG 3.26Å; A82-R86 PolarHBondContact O-NE 3.27Å; A82-R86 VanDerWaalsContact O-NE 3.08Å |
| 83 | D | 87.9 | Confident | 79.2 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 28% | 0.283 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -84.5 | -50.2 | 175.3 | -54.3 | -41.3 | 0 | 0 | 0 | 109.5 | I79 A80 V81 I85 R86 E87 | I79-D83 HydrophobicContact CG2-CB 4.45Å; A80-D83 WeakPolarHBondContact CB-OD2 3.39Å; A80-D83 PolarHBondContact N-OD2 2.98Å; A80-D83 WeakPolarHBondContact O-CB 3.37Å; A80-D83 PolarHBondContact O-N 2.93Å; V81-D83 PolarHBondContact O-N 3.27Å; D83-I85 VanDerWaalsContact C-N 3.27Å; D83-I85 PolarHBondContact O-N 3.33Å; D83-R86 PolarHBondContact O-N 2.59Å; D83-R86 IonicContact OD1-CZ 2.65Å; D83-R86 IonicContact OD1-NH2 3.68Å; D83-R86 PolarHBondContact OD1-NH2 2.95Å; D83-E87 PolarHBondContact O-N 3Å; D83-E87 VanDerWaalsContact O-N 3.14Å |
| 84 | L | 89.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.2 | -38.8 | 174.3 | -69.7 | 157.3 | 0 | 0 | 0 | 112.6 | F29 I31 V57 F66 L68 I79 A80 V81 E87 H88 | F29-L84 HydrophobicContact CD2-CD2 4.41Å; F29-L84 HydrophobicContact CE2-CD2 3.63Å; F29-L84 HydrophobicContact CE2-CG 4.5Å; F29-L84 HydrophobicContact CZ-CD2 4.14Å; I31-L84 HydrophobicContact CD1-CD2 3.86Å; I31-L84 HydrophobicContact CG1-CD2 4.05Å; V57-L84 HydrophobicContact CB-CD1 3.65Å; V57-L84 HydrophobicContact CG1-CD1 3.63Å; V57-L84 HydrophobicContact CG2-CD1 3.94Å; F66-L84 HydrophobicContact CD2-CD1 4.49Å; L68-L84 HydrophobicContact CD1-CD2 4.34Å; L68-L84 HydrophobicContact CD2-CD2 3.72Å; I79-L84 HydrophobicContact CG2-CD1 4Å; I79-L84 HydrophobicContact CG2-CG 3.96Å; A80-L84 PolarHBondContact O-N 3.46Å; V81-L84 PolarHBondContact O-N 3.39Å; L84-E87 PolarHBondContact O-N 3.49Å; L84-H88 WeakPolarHBondContact O-CB 3.2Å; L84-H88 PolarHBondContact O-N 3.16Å |
| 85 | I | 89 | Confident | 76.3 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 27% | 0.267 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 175.4 | -70.9 | 168.9 | 0 | 0 | 0 | 111.4 | W59 V81 D83 E87 E89 | W59-I85 HydrophobicContact CD2-CD1 4.4Å; W59-I85 HydrophobicContact CD2-CG1 4.33Å; W59-I85 HydrophobicContact CE3-CG1 4.23Å; W59-I85 HydrophobicContact CH2-CB 4.49Å; W59-I85 HydrophobicContact CH2-CD1 3.84Å; W59-I85 HydrophobicContact CH2-CG1 3.5Å; W59-I85 VanDerWaalsContact CH2-CG1 3.5Å; W59-I85 HydrophobicContact CH2-CG2 4.37Å; W59-I85 HydrophobicContact CZ2-CD1 3.43Å; W59-I85 VanDerWaalsContact CZ2-CD1 3.43Å; W59-I85 HydrophobicContact CZ2-CG1 3.66Å; W59-I85 HydrophobicContact CZ3-CD1 4.49Å; W59-I85 HydrophobicContact CZ3-CG1 3.81Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.47Å; D83-I85 VanDerWaalsContact C-N 3.27Å; D83-I85 PolarHBondContact O-N 3.33Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 3.22Å; I85-E89 WeakPolarHBondContact O-CB 3.43Å; I85-E89 PolarHBondContact O-N 2.78Å |
| 86 | R | 86.1 | Confident | 74.3 | Confident | 160 Ų | 160 | 77 Ų | 77 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | -177.4 | -72.3 | -177.1 | -76 | 167.8 | -3.8 | 111.5 | A82 D83 T90 | A82-R86 WeakPolarHBondContact O-CG 3.26Å; A82-R86 PolarHBondContact O-NE 3.27Å; A82-R86 VanDerWaalsContact O-NE 3.08Å; D83-R86 PolarHBondContact O-N 2.59Å; D83-R86 IonicContact OD1-CZ 2.65Å; D83-R86 IonicContact OD1-NH2 3.68Å; D83-R86 PolarHBondContact OD1-NH2 2.95Å; R86-T90 WeakPolarHBondContact O-CB 3.41Å; R86-T90 PolarHBondContact O-N 3.13Å; R86-T90 PolarHBondContact O-OG1 2.81Å |
| 87 | E | 82.1 | Confident | 71.9 | Confident | 70 Ų | 70 | 83.9 Ų | 83.9 | 33% | 0.327 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.9 | -47.2 | 179.4 | -165.3 | 149.6 | -138 | 0 | 0 | 111.8 | S27 F29 D83 L84 I85 E89 T90 D91 | S27-E87 WeakPolarHBondContact CB-OE1 3.5Å; S27-E87 VanDerWaalsContact CB-OE2 3.27Å; S27-E87 WeakPolarHBondContact CB-OE2 3.37Å; S27-E87 PolarHBondContact OG-OE1 3.36Å; S27-E87 VanDerWaalsContact OG-OE1 3.13Å; S27-E87 PolarHBondContact OG-OE2 2.97Å; F29-E87 VanDerWaalsContact CE2-OE2 3.3Å; F29-E87 WeakPolarHBondContact CE2-OE2 3.46Å; F29-E87 VanDerWaalsContact CZ-OE2 3.3Å; F29-E87 WeakPolarHBondContact CZ-OE2 3.06Å; D83-E87 PolarHBondContact O-N 3Å; D83-E87 VanDerWaalsContact O-N 3.14Å; L84-E87 PolarHBondContact O-N 3.49Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 3.22Å; E87-E89 PolarHBondContact O-N 3.45Å; E87-T90 WeakPolarHBondContact O-CA 3.37Å; E87-T90 WeakPolarHBondContact O-CB 3.4Å; E87-T90 PolarHBondContact O-N 2.83Å; E87-T90 VanDerWaalsContact O-N 3.09Å; E87-D91 PolarHBondContact O-N 2.94Å |
| 88 | H | 78.1 | Confident | 69.5 | Low | 65 Ų | 65 | 86.7 Ų | 86.7 | 30% | 0.301 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63 | -36 | 176.6 | -178.9 | -76.3 | 0 | 0 | 0 | 113.2 | F66 L84 I92 | F66-H88 AromaticContact CE1-CD2 3.86Å; L84-H88 WeakPolarHBondContact O-CB 3.2Å; L84-H88 PolarHBondContact O-N 3.16Å; H88-I92 WeakPolarHBondContact CE1-CD1 3.37Å; H88-I92 WeakPolarHBondContact O-CG1 3.4Å; H88-I92 PolarHBondContact O-N 3.47Å |
| 89 | E | 78.8 | Confident | 67.3 | Low | 142 Ų | 142 | 85.8 Ų | 85.8 | 66% | 0.664 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.5 | -33.8 | 172.8 | -173.5 | 163.8 | -150.9 | 0 | 0 | 112.1 | I85 E87 S93 | I85-E89 WeakPolarHBondContact O-CB 3.43Å; I85-E89 PolarHBondContact O-N 2.78Å; E87-E89 PolarHBondContact O-N 3.45Å; E89-S93 PolarHBondContact O-N 2.65Å |
| 90 | T | 73.3 | Confident | 64.7 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | R86 E87 S93 V94 | R86-T90 WeakPolarHBondContact O-CB 3.41Å; R86-T90 PolarHBondContact O-N 3.13Å; R86-T90 PolarHBondContact O-OG1 2.81Å; E87-T90 WeakPolarHBondContact O-CA 3.37Å; E87-T90 WeakPolarHBondContact O-CB 3.4Å; E87-T90 PolarHBondContact O-N 2.83Å; E87-T90 VanDerWaalsContact O-N 3.09Å; T90-S93 WeakPolarHBondContact O-CA 3.2Å; T90-S93 WeakPolarHBondContact O-CB 3.22Å; T90-S93 PolarHBondContact O-N 2.89Å; T90-S93 PolarHBondContact O-OG 3.41Å; T90-V94 PolarHBondContact O-N 2.98Å |
| 91 | D | 58.7 | Low | 61.9 | Low | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | -176.8 | -164.9 | 33.4 | 0 | 0 | 0 | 112.5 | E87 S93 V94 F95 | E87-D91 PolarHBondContact O-N 2.94Å; D91-S93 PolarHBondContact O-N 2.98Å; D91-V94 WeakPolarHBondContact O-CA 3.37Å; D91-V94 WeakPolarHBondContact O-CB 3.43Å; D91-V94 PolarHBondContact O-N 3.38Å; D91-F95 WeakPolarHBondContact O-CD2 3.23Å; D91-F95 PolarHBondContact O-N 3.14Å; D91-F95 VanDerWaalsContact O-N 3.12Å |
| 92 | I | 57.8 | Low | 59 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.5 | -31.6 | 168.2 | -72.8 | 178.6 | 0 | 0 | 0 | 111.5 | H88 V94 K96 | H88-I92 WeakPolarHBondContact CE1-CD1 3.37Å; H88-I92 WeakPolarHBondContact O-CG1 3.4Å; H88-I92 PolarHBondContact O-N 3.47Å; I92-V94 VanDerWaalsContact C-N 3.3Å; I92-V94 PolarHBondContact O-N 2.99Å; I92-K96 VanDerWaalsContact O-CB 3.23Å; I92-K96 WeakPolarHBondContact O-CB 3.42Å; I92-K96 PolarHBondContact O-N 2.67Å |
| 93 | S | 46.4 | Very low | 56.3 | Low | 43 Ų | 43 | 105 Ų | 105 | 30% | 0.301 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.6 | -25.2 | 173.6 | 93.8 | 0 | 0 | 0 | 0 | 113.5 | E89 T90 D91 R97 | E89-S93 PolarHBondContact O-N 2.65Å; T90-S93 WeakPolarHBondContact O-CA 3.2Å; T90-S93 WeakPolarHBondContact O-CB 3.22Å; T90-S93 PolarHBondContact O-N 2.89Å; T90-S93 PolarHBondContact O-OG 3.41Å; D91-S93 PolarHBondContact O-N 2.98Å; S93-R97 WeakPolarHBondContact O-CG 3.38Å; S93-R97 PolarHBondContact O-NH1 3.08Å; S93-R97 PolarHBondContact O-NH2 2.77Å; S93-R97 PolarHBondContact OG-NH2 3.25Å |
| 94 | V | 40.1 | Very low | 53.7 | Low | 67 Ų | 67 | 111.4 Ų | 111.4 | 41% | 0.406 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -75.2 | -59.6 | 175.9 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | T90 D91 I92 K96 R97 | T90-V94 PolarHBondContact O-N 2.98Å; D91-V94 WeakPolarHBondContact O-CA 3.37Å; D91-V94 WeakPolarHBondContact O-CB 3.43Å; D91-V94 PolarHBondContact O-N 3.38Å; I92-V94 VanDerWaalsContact C-N 3.3Å; I92-V94 PolarHBondContact O-N 2.99Å; V94-K96 PolarHBondContact O-N 3.05Å; V94-R97 PolarHBondContact O-N 3.27Å |
| 95 | F | 34 | Very low | 51 | Low | 156 Ų | 156 | 116.9 Ų | 116.9 | 68% | 0.684 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57.3 | -21 | 179.1 | -75.7 | -77.5 | 0 | 0 | 0 | 114.2 | D91 | D91-F95 WeakPolarHBondContact O-CD2 3.23Å; D91-F95 PolarHBondContact O-N 3.14Å; D91-F95 VanDerWaalsContact O-N 3.12Å |
| 96 | K | 36.7 | Very low | 48.4 | Very low | 166 Ų | 166 | 120.1 Ų | 120.1 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -8.5 | 177 | -162.5 | 167.9 | -176.2 | 177 | 0 | 114.8 | I92 V94 | I92-K96 VanDerWaalsContact O-CB 3.23Å; I92-K96 WeakPolarHBondContact O-CB 3.42Å; I92-K96 PolarHBondContact O-N 2.67Å; V94-K96 PolarHBondContact O-N 3.05Å |
| 97 | R | 37.2 | Very low | 45.9 | Very low | 157 Ų | 157 | 118.4 Ų | 118.4 | 59% | 0.592 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -30.6 | 179.7 | -73.6 | -175.7 | -159.9 | 92.9 | 14.3 | 114 | S93 V94 A99 | S93-R97 WeakPolarHBondContact O-CG 3.38Å; S93-R97 PolarHBondContact O-NH1 3.08Å; S93-R97 PolarHBondContact O-NH2 2.77Å; S93-R97 PolarHBondContact OG-NH2 3.25Å; V94-R97 PolarHBondContact O-N 3.27Å; R97-A99 PolarHBondContact O-N 2.91Å |
| 98 | D | 36 | Very low | 43.6 | Very low | 144 Ų | 144 | 120.6 Ų | 120.6 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -76 | -11.2 | -178.4 | -60.3 | -59.1 | 0 | 0 | 0 | 113.4 | K100 | D98-K100 VanDerWaalsContact C-N 3.31Å; D98-K100 PolarHBondContact O-N 3.17Å; D98-K100 VanDerWaalsContact O-N 3.11Å |
| 99 | A | 38.8 | Very low | 41.4 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | trans | -84.8 | 55.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R97 | R97-A99 PolarHBondContact O-N 2.91Š| ||
| 100 | K | 35 | Very low | 39.1 | Very low | 172 Ų | 172 | 124 Ų | 124 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | -118.9 | 105.7 | -179.8 | -165.2 | 169.5 | -176.6 | 177.8 | 0 | 115.4 | D98 | D98-K100 VanDerWaalsContact C-N 3.31Å; D98-K100 PolarHBondContact O-N 3.17Å; D98-K100 VanDerWaalsContact O-N 3.11Å | ||
| 101 | H | 32.2 | Very low | 38 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | trans | 55.4 | 95.5 | 161.1 | -72.8 | -62.5 | 0 | 0 | 0 | 119 | ||||
| 102 | V | 30.9 | Very low | 36.6 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | -74.3 | 131.3 | 127.2 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | Q104 | V102-Q104 PolarHBondContact O-N 3.09Š| |||
| 103 | P | 34.4 | Very low | 35.3 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | trans | -79.7 | 105.2 | 174.7 | 30.6 | -32.1 | 0 | 0 | 0 | 110.3 | ||||
| 104 | Q | 32.7 | Very low | 34.5 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 122.9 | 174.7 | -162.6 | 169 | 14.4 | 0 | 0 | 109.9 | V102 S106 | V102-Q104 PolarHBondContact O-N 3.09Å; Q104-S106 PolarHBondContact O-N 3.4Å |
| 105 | S | 33.8 | Very low | 34.1 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 133.7 | -173.2 | -63.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 106 | S | 33.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 139.4 | 170.4 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | Q104 | Q104-S106 PolarHBondContact O-N 3.4Š|
| 107 | S | 33.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -143.5 | 117.4 | 161.1 | -75.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 108 | S | 32.9 | Very low | 33.4 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -99.4 | 131 | -168.4 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 109 | V | 32.6 | Very low | 34.3 | Very low | 147 Ų | 147 | 137 Ų | 137 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -133.2 | 129.2 | 157.6 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 110 | T | 31.4 | Very low | 34 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -96.3 | 163.7 | -176.2 | 22.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | P | 49.3 | Very low | 33.9 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -101.7 | 158.6 | -164.2 | 39 | -36.2 | 0 | 0 | 0 | 115.7 | ||||
| 112 | S | 28.8 | Very low | 33.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -173.9 | 156.6 | 158 | -100.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 113 | E | 31.1 | Very low | 33.8 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | cis | -172.6 | 153.9 | -15.9 | -171.9 | 176.5 | 139.8 | 0 | 0 | 109.9 | ||||
| 114 | S | 29.5 | Very low | 33.6 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 66.2 | 167.9 | 163.7 | 82.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 115 | Q | 32.2 | Very low | 33.3 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | cis | -160.9 | 157.2 | -39.7 | -103.9 | -168.8 | 21 | 0 | 0 | 107.8 | ||||
| 116 | H | 32.8 | Very low | 33.3 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | 38.6 | 133.2 | 155.1 | -91.3 | 51.4 | 0 | 0 | 0 | 119.6 | ||||
| 117 | K | 31 | Very low | 33.1 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | 179.9 | 159.1 | 58.6 | -151.6 | 170.5 | -177.3 | 176.6 | 0 | 110.7 | |||||
| 118 | N | 29.6 | Very low | 33.2 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -108.8 | 170 | 173.6 | -158.4 | 28.6 | 0 | 0 | 0 | 109.2 | ||||
| 119 | P | 55.3 | Low | 33 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | -128.4 | 177.9 | -12.7 | 37.4 | -20 | 0 | 0 | 0 | 115 | ||||
| 120 | T | 31.5 | Very low | 33 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | 179.2 | 153.9 | 124 | -72.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 121 | A | 33.6 | Very low | 33 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | trans | -78.1 | 157.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 122 | H | 31.3 | Very low | 32.1 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | 179.8 | 155.6 | 104.9 | -95.9 | -69.3 | 0 | 0 | 0 | 114.5 | |||||
| 123 | K | 28.8 | Very low | 32.2 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 93.4 | 142.6 | 150.7 | -149.9 | 171.4 | -176.6 | -179.5 | 0 | 119.3 | ||||
| 124 | L | 29.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -57.6 | 156.1 | 177.7 | -65.1 | 74 | 0 | 0 | 0 | 111.3 | ||||
| 125 | T | 27.8 | Very low | 32.4 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | -163.2 | 143 | 61.1 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 126 | V | 33.5 | Very low | 32.3 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -90.3 | 136.6 | 166.2 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 127 | S | 29.8 | Very low | 32.4 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -135.6 | 95.2 | 169.8 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 128 | N | 34.2 | Very low | 32.6 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -95.2 | 133.3 | 161.7 | -74.2 | -13.4 | 0 | 0 | 0 | 107.2 | ||||
| 129 | N | 29.8 | Very low | 32.8 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -128.3 | 92.8 | 172.9 | -164.4 | 19.7 | 0 | 0 | 0 | 110.1 | ||||
| 130 | A | 32.9 | Very low | 31.7 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -111.7 | 115.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 131 | N | 30.2 | Very low | 31.9 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -102 | 112.8 | -174.7 | -162.2 | 20.7 | 0 | 0 | 0 | 109.7 | ||||
| 132 | Q | 31.1 | Very low | 31.9 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -127.7 | 112.5 | 179.3 | -174.8 | 175.5 | 75 | 0 | 0 | 108.7 | ||||
| 133 | T | 30.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -90.8 | 113.7 | -174 | -53.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 134 | T | 30.6 | Very low | 32.1 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | trans | -117 | 130.2 | 167.8 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 135 | Q | 35.4 | Very low | 32.3 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -130.1 | 141.9 | 162 | -79 | -165.6 | -8.6 | 0 | 0 | 109.8 | ||||
| 136 | T | 29.7 | Very low | 32.6 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -138.1 | 119.2 | -171.1 | -47.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 137 | S | 34.8 | Very low | 32.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -179.1 | 154.6 | 159.8 | -80.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 138 | A | 35.2 | Very low | 33 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | cis | -170.9 | 146 | -32.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 139 | L | 34.1 | Very low | 33.2 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | 50.6 | 119.7 | 157.3 | -67.7 | 161.2 | 0 | 0 | 0 | 119.9 | ||||
| 140 | N | 32 | Very low | 33.6 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | -163.5 | 165.1 | 97.8 | -150.9 | 38.3 | 0 | 0 | 0 | 113.1 | |||||
| 141 | E | 35.9 | Very low | 33.8 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -90.7 | -176 | 162.6 | -62.3 | -172.3 | 49.5 | 0 | 0 | 110.7 | ||||
| 142 | T | 32.8 | Very low | 33.9 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -154.2 | 159.3 | 14.6 | -47 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 143 | G | 31.6 | Very low | 34 | Very low | 57 Ų | 57 | 131 Ų | 131 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | cis | 142.8 | 170.9 | 2.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 144 | S | 32.1 | Very low | 34.4 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 70.3 | 138.8 | -168.6 | -63.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 145 | T | 35.3 | Very low | 35.6 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | cis | 111.1 | 111.1 | 25.6 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 146 | S | 32.5 | Very low | 35.6 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | -169.2 | 148.8 | 129.7 | -158.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 147 | Q | 38.8 | Very low | 36 | Very low | 173 Ų | 173 | 126.7 Ų | 126.7 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -92.2 | 157.3 | 156.3 | -60.9 | 167.4 | -24 | 0 | 0 | 108.6 | ||||
| 148 | H | 33.2 | Very low | 36 | Very low | 178 Ų | 178 | 124.7 Ų | 124.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | -174.9 | 175.9 | 113.7 | -137.4 | -94.5 | 0 | 0 | 0 | 112.3 | |||||
| 149 | S | 38.4 | Very low | 36 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | trans | -112.3 | 168.9 | -162.7 | -44.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 150 | D | 38.8 | Very low | 36 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 103.4 | 151.6 | 132.5 | -138.1 | -9 | 0 | 0 | 0 | 121.4 | ||||
| 151 | A | 36.4 | Very low | 36.9 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | 61.2 | 144.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 152 | G | 32.4 | Very low | 36.8 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | cis | 169 | -178.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 153 | Q | 34.7 | Very low | 36.9 | Very low | 200 Ų | 200 | 123.5 Ų | 123.5 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | 69.2 | 154.8 | 173 | -62.5 | 167.7 | -15.4 | 0 | 0 | 117 | ||||
| 154 | A | 38.7 | Very low | 37.2 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -164.2 | 160.6 | -26.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 155 | P | 55.3 | Low | 37.6 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -101.8 | 154.7 | -169.8 | 37.9 | -34.6 | 0 | 0 | 0 | 116 | ||||
| 156 | T | 34.8 | Very low | 37.7 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -128.7 | 113.1 | 155.9 | 34.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 157 | A | 37.3 | Very low | 37.7 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | 77.7 | 113.5 | 87.6 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 158 | G | 36.3 | Very low | 37.7 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -112.3 | 162 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 159 | D | 33.9 | Very low | 38 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | -120.1 | 151 | 170.5 | -100.8 | -49.2 | 0 | 0 | 0 | 110.2 | ||||
| 160 | S | 35.3 | Very low | 38.1 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -100.4 | 142.9 | 179.4 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 161 | P | 51.3 | Low | 37.9 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -76.5 | 142.8 | 173.8 | 32.2 | -34.7 | 0 | 0 | 0 | 111.1 | ||||
| 162 | D | 33.6 | Very low | 38 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -155 | 158.6 | 167.1 | -159.9 | -4.7 | 0 | 0 | 0 | 109.8 | ||||
| 163 | V | 34.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | trans | 68.3 | 129.3 | 169.2 | -173.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 164 | L | 38.7 | Very low | 39.4 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | cis | -149.9 | 143.6 | 11.5 | -142.2 | 161 | 0 | 0 | 0 | 110.6 | A166 | L164-A166 HydrophobicContact CD2-CB 4Š| ||
| 165 | T | 40.7 | Very low | 39.1 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -112 | 116.7 | 167.8 | -64.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 166 | A | 36.3 | Very low | 38.3 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -159.3 | 152.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L164 | L164-A166 HydrophobicContact CD2-CB 4Š| ||
| 167 | S | 32.5 | Very low | 39.1 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | cis | -144.1 | 156.9 | -2.3 | -175.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 168 | I | 38.5 | Very low | 39.2 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 149.9 | 164 | -64 | 159.5 | 0 | 0 | 0 | 109.7 | ||||
| 169 | M | 40.5 | Very low | 39 | Very low | 190 Ų | 190 | 130.9 Ų | 130.9 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -134.1 | 120.5 | 152.9 | -79.7 | -163.9 | 171.8 | 0 | 0 | 111.1 | ||||
| 170 | N | 40.7 | Very low | 38.9 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -95.9 | 144.2 | 164.5 | -85.9 | 3.7 | 0 | 0 | 0 | 109.6 | ||||
| 171 | A | 33 | Very low | 38.8 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -144.7 | 149.5 | 156 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 172 | A | 38.5 | Very low | 38.1 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -137.4 | -142.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 173 | P | 62.7 | Low | 38 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -123.4 | -156.4 | -93 | 34.5 | -16.3 | 0 | 0 | 0 | 114.1 | |||||
| 174 | L | 33.7 | Very low | 37.8 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 82.9 | 148.6 | 176.1 | -84.8 | 68 | 0 | 0 | 0 | 116 | ||||
| 175 | A | 33.5 | Very low | 37.8 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | cis | -142.4 | 173.4 | 4.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 176 | A | 38.2 | Very low | 37.4 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -106.7 | 166.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 177 | P | 51 | Low | 37.2 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | -136.9 | 138.5 | 100 | 16.9 | 5 | 0 | 0 | 0 | 113.5 | |||||
| 178 | K | 39.1 | Very low | 36.9 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 68.2 | 103 | 81.8 | -86.3 | -161.6 | 173 | -166.1 | 0 | 117.4 | |||||
| 179 | N | 33.2 | Very low | 36.6 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | 171.4 | 115.4 | 118.2 | -94 | 27.2 | 0 | 0 | 0 | 108 | |||||
| 180 | D | 32.4 | Very low | 36.1 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | 82.7 | 104.1 | 74.6 | -76.5 | -20.1 | 0 | 0 | 0 | 114.3 | |||||
| 181 | T | 32.5 | Very low | 35.9 | Very low | 146 Ų | 146 | 132 Ų | 132 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | -171.7 | 134.7 | 124.9 | -74.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 182 | A | 36.5 | Very low | 35.9 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -81.5 | 166.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 183 | T | 31.2 | Very low | 35.8 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | -163.8 | 139.9 | 56.9 | -56 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 184 | T | 31.2 | Very low | 34.3 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -133.7 | 137.5 | 167.4 | -35.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 185 | L | 38.1 | Very low | 34.2 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -135.8 | 136.7 | 176.5 | -118.9 | 166.1 | 0 | 0 | 0 | 108.8 | ||||
| 186 | S | 32.8 | Very low | 34.5 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -113.2 | 169.3 | -170.6 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 187 | E | 30.5 | Very low | 35 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 71.6 | 155.1 | 169.8 | -55.3 | -166.7 | 100.4 | 0 | 0 | 114.9 | ||||
| 188 | T | 26.5 | Very low | 34.4 | Very low | 110 Ų | 110 | 141 Ų | 141 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -129.6 | 147.9 | 14.8 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 189 | S | 32.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -83 | 124.1 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 190 | H | 31.1 | Very low | 34.3 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -121.9 | 93.9 | 168.3 | -80 | -65.1 | 0 | 0 | 0 | 112.4 | ||||
| 191 | K | 36.5 | Very low | 34.5 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -78.8 | 116.5 | 170.2 | 173.4 | -175 | 178.3 | -178.7 | 0 | 110 | ||||
| 192 | S | 32.2 | Very low | 34.6 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -139.5 | 166.2 | 166.9 | -162.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 193 | K | 36 | Very low | 34.7 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -143.8 | 99.5 | -150.3 | 177 | -160.6 | 173.9 | -168.6 | 0 | 111.8 | ||||
| 194 | V | 32.1 | Very low | 34.8 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -142 | 105.8 | 171.3 | -175.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 195 | Q | 32.5 | Very low | 35.2 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 79.1 | 110.1 | 65.6 | -173.4 | 169.9 | -13.3 | 0 | 0 | 112.5 | |||||
| 196 | S | 39.7 | Very low | 35.1 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 142.3 | -177.2 | -45.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 197 | P | 48 | Very low | 35.2 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 135 | 156.4 | 31.8 | -30.7 | 0 | 0 | 0 | 110 | ||
| 198 | V | 39.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 128.1 | 163.4 | 172.3 | 0 | 0 | 0 | 0 | 107.5 | ||
| 199 | T | 33.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -119.4 | 104.9 | 171.7 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 200 | T | 36.8 | Very low | 36.2 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -91.6 | 115 | 173.5 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 201 | T | 35.9 | Very low | 36.6 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | -97.7 | 103.2 | 172.2 | -53.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 202 | A | 34.4 | Very low | 36.8 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -96.8 | 118.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 203 | T | 39.2 | Very low | 37.3 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -103.3 | 113.2 | 173.3 | -56.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 204 | S | 31.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -75.5 | 134.3 | 174 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 205 | V | 40.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -127.5 | 128.1 | 160.2 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 206 | K | 36.3 | Very low | 38.9 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -114.7 | 119.2 | -174.8 | 173 | -145.7 | 167.4 | -164.9 | 0 | 109.2 | E208 | K206-E208 IonicContact NZ-OE2 3.73Š| ||
| 207 | L | 35.7 | Very low | 39 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -174.5 | 156 | 150.9 | -128.5 | 65.8 | 0 | 0 | 0 | 108.1 | ||||
| 208 | E | 33.5 | Very low | 38.6 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | -166.6 | 139.1 | -50.7 | -173.5 | 152.4 | 128.5 | 0 | 0 | 104 | K206 | K206-E208 IonicContact NZ-OE2 3.73Š| |||
| 209 | S | 37.7 | Very low | 38.4 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -34.6 | 148.6 | -175 | -167.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 210 | T | 37.2 | Very low | 38.7 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | -151.3 | 136.8 | 128.4 | -74 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 211 | T | 41 | Very low | 39 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | trans | -109.1 | 135.3 | -178 | -52 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 212 | V | 40.8 | Very low | 39.3 | Very low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -137.7 | 138.1 | 158.5 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 213 | M | 40.9 | Very low | 39.4 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -91.6 | 156.8 | 179.1 | -63.6 | 163.5 | 55.6 | 0 | 0 | 111.7 | ||||
| 214 | T | 38.2 | Very low | 39.5 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 155.1 | 129.3 | 116.4 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 215 | P | 59.5 | Low | 39.7 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -89.7 | 164.6 | 175.8 | 37 | -35.5 | 0 | 0 | 0 | 112.8 | ||||
| 216 | L | 37.3 | Very low | 39.6 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | -141.2 | 150.9 | 157.9 | -148 | 70.3 | 0 | 0 | 0 | 110.5 | ||||
| 217 | A | 41.1 | Very low | 39.7 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -103.9 | -158 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 218 | I | 41.3 | Very low | 39.9 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | 104.4 | 129.6 | 178.3 | -61.3 | 161.8 | 0 | 0 | 0 | 112.7 | ||||
| 219 | T | 33.5 | Very low | 40.3 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -158.8 | 157.1 | -18.5 | -92 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 220 | Q | 41.2 | Very low | 40.4 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -78 | 150.6 | 179.7 | -53.5 | 160.7 | -58 | 0 | 0 | 114.2 | ||||
| 221 | I | 42 | Very low | 40.8 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -143.8 | 113 | 133.3 | -51.5 | -176.2 | 0 | 0 | 0 | 104.9 | ||||
| 222 | M | 42 | Very low | 40.7 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | 60 | 136.7 | 83 | -98 | -174.6 | 165.6 | 0 | 0 | 113.4 | |||||
| 223 | T | 36.4 | Very low | 40.8 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 61% | 0.613 | 78% | 0.78 | S | S | * | * | cis | -164.5 | 141.3 | 25 | -95.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 224 | I | 41.7 | Very low | 40.8 | Very low | 140 Ų | 140 | 134 Ų | 134 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | 40.1 | 130.7 | 142.6 | -49.4 | 174.1 | 0 | 0 | 0 | 117.5 | ||||
| 225 | T | 35.5 | Very low | 41 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | -149.1 | 133.1 | 58.5 | -41 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 226 | E | 38.9 | Very low | 40.2 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | -48 | 147.9 | 162.5 | 175.1 | 174.5 | -118.5 | 0 | 0 | 117.8 | ||||
| 227 | S | 39.3 | Very low | 40.5 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -158.9 | 128.9 | 141.8 | -161.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 228 | E | 40.2 | Very low | 40.6 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -83.5 | 156.5 | -176 | -60.9 | 179.9 | 99.1 | 0 | 0 | 113.3 | ||||
| 229 | T | 40.3 | Very low | 40.5 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | -158.2 | 131.1 | 128.1 | -72.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 230 | T | 39.6 | Very low | 40.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | -90 | 140 | -172.8 | -46.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 231 | A | 46.2 | Very low | 40.8 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 116.2 | 161 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 232 | T | 39.8 | Very low | 40.4 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -110.4 | 121.9 | -170.4 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 233 | T | 42.3 | Very low | 40.5 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -136.3 | 95.3 | 168.4 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 234 | T | 40.3 | Very low | 41.1 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | 5.5 | 118.5 | 148.6 | -43.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 235 | M | 43.6 | Very low | 40.9 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | -91 | 130.5 | 153.8 | -76.4 | -164.8 | 168.6 | 0 | 0 | 110.3 | ||||
| 236 | T | 41.7 | Very low | 41.2 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | -101.5 | 105.4 | 177.7 | -54 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 237 | T | 44.2 | Very low | 41.4 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 128.6 | 171 | -49.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 238 | T | 41.9 | Very low | 41.6 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -131.3 | 145.5 | 174 | -40.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 239 | T | 40.3 | Very low | 41.5 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -92.5 | 154.3 | -153.9 | -30 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 240 | T | 41.3 | Very low | 41.5 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -45.2 | 152.1 | 159.3 | -28.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 241 | T | 38.8 | Very low | 41.7 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -176.3 | 148.9 | 136.2 | -82.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 242 | A | 35.3 | Very low | 41.3 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 103.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 243 | M | 42.3 | Very low | 42 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | -70.4 | 170.3 | 124.6 | -105.4 | -178.5 | 67.3 | 0 | 0 | 109.6 | |||||
| 244 | P | 48.9 | Very low | 42.3 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | cis | -138.8 | 176.3 | 21.5 | 43.4 | -26.8 | 0 | 0 | 0 | 116.4 | ||||
| 245 | S | 37.4 | Very low | 42.6 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | -170.7 | 156.8 | 119.8 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 246 | T | 42 | Very low | 42.6 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -98 | 157.1 | 173.4 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 247 | T | 43.4 | Very low | 42.7 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -151.8 | 134.4 | 158.7 | -67.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 248 | N | 44 | Very low | 42.8 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -101.3 | 132.6 | -178.2 | -59.6 | -34.2 | 0 | 0 | 0 | 110.9 | ||||
| 249 | T | 38.5 | Very low | 42.9 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -156.4 | 102.1 | 156.3 | 17.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 250 | T | 40.3 | Very low | 43 | Very low | 123 Ų | 123 | 133 Ų | 133 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | 95.5 | 104.3 | 84.6 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 251 | T | 42.4 | Very low | 43.2 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 132.7 | 179.3 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 252 | T | 38 | Very low | 43.7 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -123.5 | 122.8 | 166.2 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 253 | Q | 55.5 | Low | 43.9 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 130.9 | -177.8 | 176.5 | -175.3 | 28 | 0 | 0 | 111.9 | ||
| 254 | P | 48 | Very low | 44 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 129.3 | 164.7 | 31.8 | -30.8 | 0 | 0 | 0 | 110.9 | ||
| 255 | T | 47.2 | Very low | 44 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.8 | -178.7 | -48.2 | 0 | 0 | 0 | 0 | 112.3 | T257 | T255-T257 PolarHBondContact O-N 3.48Š|
| 256 | T | 42.5 | Very low | 44.3 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -80 | 105.6 | 175.3 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 257 | T | 44.5 | Very low | 44.5 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -90.8 | 117.7 | 170.7 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | T255 | T255-T257 PolarHBondContact O-N 3.48Š| ||
| 258 | K | 46.7 | Very low | 44.5 | Very low | 204 Ų | 204 | 133 Ų | 133 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 121.9 | 168.4 | -75.3 | -177.4 | 174.2 | -178.6 | 0 | 109.5 | ||||
| 259 | T | 43.4 | Very low | 44.6 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -106.7 | 127.7 | 170.3 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 260 | T | 42.7 | Very low | 44.7 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 143 | -172.5 | -38.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 261 | I | 45.3 | Very low | 44.9 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -86 | 129.1 | 179.2 | -58 | 167.8 | 0 | 0 | 0 | 110.5 | ||||
| 262 | P | 49.3 | Very low | 44.8 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -90.9 | 103.2 | 161 | 32.8 | -28 | 0 | 0 | 0 | 110.5 | T264 | P262-T264 PolarHBondContact O-N 2.69Š| ||
| 263 | T | 39.6 | Very low | 45.4 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -79.4 | 102.9 | -178.2 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | A265 | T263-A265 PolarHBondContact O-N 2.98Š| ||
| 264 | T | 45.2 | Very low | 45 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -94.8 | 90.5 | 176.7 | -52 | 0 | 0 | 0 | 0 | 111.5 | P262 T266 | P262-T264 PolarHBondContact O-N 2.69Å; T264-T266 PolarHBondContact O-N 3.06Å | ||
| 265 | A | 47.9 | Very low | 44.5 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -65.3 | 120 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T263 | T263-A265 PolarHBondContact O-N 2.98Š| ||
| 266 | T | 43.9 | Very low | 44.3 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -108.4 | 117.1 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | T264 I268 | T264-T266 PolarHBondContact O-N 3.06Å; T266-I268 PolarHBondContact O-N 3.23Å | ||
| 267 | T | 46.8 | Very low | 44.1 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -73.2 | 122.1 | -172.5 | -45.3 | 0 | 0 | 0 | 0 | 112.5 | K269 | T267-K269 PolarHBondContact O-N 3.07Š| ||
| 268 | I | 43.2 | Very low | 44.3 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -73.6 | 114.1 | 170.5 | -61.1 | 176.8 | 0 | 0 | 0 | 109.1 | T266 T270 | T266-I268 PolarHBondContact O-N 3.23Å; I268-T270 PolarHBondContact O-N 3.07Å | ||
| 269 | K | 46.3 | Very low | 44.1 | Very low | 185 Ų | 185 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 92 | 168.9 | -89 | -169.4 | 172.6 | -177.5 | 0 | 111 | T267 T271 | T267-K269 PolarHBondContact O-N 3.07Å; K269-T271 PolarHBondContact O-N 2.61Å; K269-T271 PolarHBondContact O-OG1 3.25Å | ||
| 270 | T | 39.6 | Very low | 44.1 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -56.3 | 119.4 | 162.7 | -54.3 | 0 | 0 | 0 | 0 | 109.3 | I268 | I268-T270 PolarHBondContact O-N 3.07Š| ||
| 271 | T | 45.3 | Very low | 43.9 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -119.6 | 137.8 | 174.2 | -53.5 | 0 | 0 | 0 | 0 | 108.5 | K269 | K269-T271 PolarHBondContact O-N 2.61Å; K269-T271 PolarHBondContact O-OG1 3.25Å | ||
| 272 | A | 40.3 | Very low | 43.5 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -79 | 156.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 273 | L | 50.6 | Low | 43 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -72.6 | 138.3 | 172.6 | -179.2 | 74.4 | 0 | 0 | 0 | 111.7 | ||||
| 274 | P | 47.8 | Very low | 42.9 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -106.5 | 145.2 | 155.3 | 34.8 | -27.8 | 0 | 0 | 0 | 112.7 | ||||
| 275 | S | 37.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -61.3 | 143.1 | -170.7 | -53.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 276 | T | 42.2 | Very low | 42 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 30.9 | 123 | 130.4 | -21.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 277 | T | 38.1 | Very low | 41.8 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -153.4 | 138.3 | 141.5 | -2.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 278 | T | 48.3 | Very low | 41.9 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -100.9 | 135.1 | -179.6 | 24 | 0 | 0 | 0 | 0 | 111.5 | K280 | T278-K280 PolarHBondContact O-N 3.18Š| ||
| 279 | P | 43.4 | Very low | 41.6 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 118.9 | 166.5 | 31 | -30.8 | 0 | 0 | 0 | 109.8 | ||||
| 280 | K | 43.6 | Very low | 41 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -113.1 | 114.7 | 171.8 | -177.1 | -175.6 | 174.4 | -173 | 0 | 110.2 | T278 | T278-K280 PolarHBondContact O-N 3.18Š| ||
| 281 | T | 37.9 | Very low | 41.1 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -68.1 | 128 | 170.2 | -43.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 282 | T | 36.4 | Very low | 40.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | trans | -153 | 141.9 | 161.2 | -52.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 283 | T | 40.3 | Very low | 40.7 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | -94.4 | 138.1 | -170.7 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 284 | T | 36.8 | Very low | 40.3 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -141.6 | 119.6 | 162 | -43 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 285 | A | 39.6 | Very low | 40.2 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | cis | 82 | 78.3 | 34.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 286 | D | 35.4 | Very low | 40.4 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -126.7 | 145.2 | 165.9 | -91.6 | -51.2 | 0 | 0 | 0 | 110.1 | ||||
| 287 | T | 38.3 | Very low | 41 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -131 | 142.2 | -177.6 | -29.7 | 0 | 0 | 0 | 0 | 108.3 | T289 | T287-T289 WeakPolarHBondContact CG2-OG1 3.27Š| ||
| 288 | P | 49.2 | Very low | 40.9 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | -132.7 | 141.2 | 103.2 | 36.4 | -27.1 | 0 | 0 | 0 | 110.8 | |||||
| 289 | T | 36.5 | Very low | 40.8 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | cis | 67.8 | 91.8 | 48.3 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | T287 | T287-T289 WeakPolarHBondContact CG2-OG1 3.27Š| ||
| 290 | D | 35.1 | Very low | 41.2 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | -159.5 | 159.3 | 118.3 | -104.2 | -30 | 0 | 0 | 0 | 112.7 | |||||
| 291 | E | 39.9 | Very low | 40.7 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | 23.5 | 111 | 169.7 | -56.1 | -155.5 | 139.3 | 0 | 0 | 119.6 | ||||
| 292 | E | 42.1 | Very low | 40.8 | Very low | 152 Ų | 152 | 132 Ų | 132 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | 69.4 | 108.8 | 79.6 | -173.4 | 177.8 | 134.2 | 0 | 0 | 114.9 | |||||
| 293 | K | 36.6 | Very low | 41.5 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | -179.8 | 135.6 | 98.1 | -147.2 | 170.6 | -159.9 | 83.8 | 0 | 113.4 | |||||
| 294 | K | 41.6 | Very low | 41.3 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 74% | 0.735 | 76% | 0.759 | S | S | * | * | trans | -132.9 | 126.6 | 167.5 | 172.2 | 173.1 | -174.1 | -65.3 | 0 | 107.3 | ||||
| 295 | P | 45.2 | Very low | 41.2 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | -127 | 141.9 | 87.7 | 5.7 | 17.4 | 0 | 0 | 0 | 113 | |||||
| 296 | S | 41.5 | Very low | 41.1 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | 92.1 | 143.3 | 64.9 | -138.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 297 | P | 54.8 | Low | 41 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | trans | -105.8 | 160.3 | -150.8 | 39.6 | -35.9 | 0 | 0 | 0 | 116.3 | ||||
| 298 | T | 36.6 | Very low | 40.9 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -143.4 | 151.2 | 163.9 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 299 | I | 46.3 | Very low | 40.3 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -139.7 | 163.8 | -179.1 | -44.1 | 163.2 | 0 | 0 | 0 | 106.4 | ||||
| 300 | P | 51.8 | Low | 40.2 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | cis | -111.5 | 173.2 | -48.8 | 36.3 | -24.1 | 0 | 0 | 0 | 111.6 | ||||
| 301 | E | 33.5 | Very low | 40.4 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -157.6 | 158.1 | 144.5 | -127 | 173.7 | 164 | 0 | 0 | 113.3 | ||||
| 302 | A | 40.5 | Very low | 40.1 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | -144.6 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 303 | P | 50.8 | Low | 39.9 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -125.4 | -177.4 | -5.1 | 42.2 | -28.6 | 0 | 0 | 0 | 112.7 | ||||
| 304 | S | 35.3 | Very low | 40.1 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -173.1 | 124.5 | 130 | -163 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 305 | S | 35.1 | Very low | 40.6 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | 29.6 | 143.9 | 129.5 | -27.5 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 306 | Q | 37.8 | Very low | 40.3 | Very low | 190 Ų | 190 | 122.9 Ų | 122.9 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | 82.2 | 140.8 | 136.2 | -161.7 | 178.3 | 9.4 | 0 | 0 | 118.8 | ||||
| 307 | A | 33.3 | Very low | 40 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | cis | -167.9 | 163 | -34.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 308 | T | 35.4 | Very low | 39.3 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 64.3 | 122 | 150.5 | -48 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 309 | S | 36.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 160.5 | 144.1 | 107.2 | -160.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 310 | G | 35.4 | Very low | 38.9 | Very low | 61 Ų | 61 | 119.6 Ų | 119.6 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | 77.4 | 119 | 166 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 311 | N | 37.9 | Very low | 38.3 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | cis | 62.4 | 134.1 | 39.6 | -57.4 | 6.1 | 0 | 0 | 0 | 114.6 | ||||
| 312 | A | 34.1 | Very low | 38.7 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | cis | -172.6 | 150.8 | -17.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 313 | M | 37.2 | Very low | 38.8 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -167.4 | 140 | 147.2 | -159.7 | 99.2 | -179.2 | 0 | 0 | 110.4 | ||||
| 314 | V | 42.2 | Very low | 38.6 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -145 | 130.9 | -178.4 | 173.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 315 | P | 51 | Low | 38.8 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -145.2 | 168.9 | 110.6 | 24.2 | -1.8 | 0 | 0 | 0 | 113.6 | |||||
| 316 | S | 40.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | -153.2 | 132.5 | -3.9 | -115.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 317 | T | 34.4 | Very low | 39.8 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | 42.9 | 112 | 126.5 | -40.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 318 | A | 40.6 | Very low | 40.1 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | trans | -137.4 | 129.2 | 133.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 319 | T | 36.3 | Very low | 40.9 | Very low | 109 Ų | 109 | 135 Ų | 135 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -111 | 134.9 | -163.9 | -54 | 0 | 0 | 0 | 0 | 112.3 | E321 | T319-E321 HydrophobicContact CG2-CG 3.76Š| ||
| 320 | A | 37.6 | Very low | 41.5 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -134 | 102 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V322 | A320-V322 PolarHBondContact O-N 3.17Š| ||
| 321 | E | 40 | Very low | 42.1 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -80.3 | 111.7 | -179.2 | -65.8 | 178.1 | 131.8 | 0 | 0 | 110.9 | T319 | T319-E321 HydrophobicContact CG2-CG 3.76Š| ||
| 322 | V | 41.8 | Very low | 42.6 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -92.5 | 101.2 | 161.6 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | A320 T324 | A320-V322 PolarHBondContact O-N 3.17Å; V322-T324 PolarHBondContact O-N 3.12Å | ||
| 323 | S | 41.6 | Very low | 43.4 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -60.4 | 118 | 179 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | K325 | S323-K325 PolarHBondContact O-N 2.94Š| ||
| 324 | T | 46.5 | Very low | 44 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | -76.6 | 67.1 | -178 | 40.1 | 0 | 0 | 0 | 0 | 112.7 | V322 R326 | V322-T324 PolarHBondContact O-N 3.12Å; T324-R326 PolarHBondContact O-N 2.98Å | ||
| 325 | K | 40.2 | Very low | 44.4 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -83 | 102.3 | 170.5 | -153.8 | 179.3 | -172.9 | -174 | 0 | 109.8 | S323 L327 | S323-K325 PolarHBondContact O-N 2.94Å; K325-L327 PolarHBondContact O-N 3.49Å | ||
| 326 | R | 47.4 | Very low | 44.4 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | -66.2 | 116.5 | 173.5 | -76.4 | -179.5 | 170.2 | 144 | -3.4 | 111 | T324 | T324-R326 PolarHBondContact O-N 2.98Š| ||
| 327 | L | 46.6 | Very low | 45 | Very low | 146 Ų | 146 | 134 Ų | 134 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | -161.9 | 174 | 130.3 | -131 | 75.2 | 0 | 0 | 0 | 109.7 | K325 | K325-L327 PolarHBondContact O-N 3.49Š| ||
| 328 | D | 39.6 | Very low | 45.8 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | 65.3 | 112.9 | 171.2 | -58.3 | -58 | 0 | 0 | 0 | 118.6 | D330 | D328-D330 VanDerWaalsContact C-N 3.29Å; D328-D330 PolarHBondContact O-N 2.86Å | ||
| 329 | E | 51.2 | Low | 46.3 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -18.2 | -169.8 | -152.4 | 162.7 | 120 | 0 | 0 | 113.8 | T331 N332 | E329-T331 PolarHBondContact O-N 3.42Å; E329-N332 PolarHBondContact O-ND2 2.9Å |
| 330 | D | 49 | Very low | 47 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -29.7 | -171.6 | -161.8 | 40.2 | 0 | 0 | 0 | 113.8 | D328 N332 R333 | D328-D330 VanDerWaalsContact C-N 3.29Å; D328-D330 PolarHBondContact O-N 2.86Å; D330-N332 PolarHBondContact O-N 3.24Å; D330-R333 PolarHBondContact O-N 2.85Å; D330-R333 VanDerWaalsContact O-N 3.12Å |
| 331 | T | 49.3 | Very low | 47.6 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 51% | 0.509 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -58.1 | -26.1 | -175.9 | -50.2 | 0 | 0 | 0 | 0 | 113.4 | E329 R333 A334 I335 | E329-T331 PolarHBondContact O-N 3.42Å; T331-R333 PolarHBondContact O-N 3.4Å; T331-A334 PolarHBondContact O-N 2.91Å; T331-I335 HydrophobicContact CG2-CD1 4.2Å |
| 332 | N | 48.4 | Very low | 48.2 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 56% | 0.561 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.9 | -21.7 | -178.9 | -67 | -75.6 | 0 | 0 | 0 | 113.5 | E329 D330 I336 | E329-N332 PolarHBondContact O-ND2 2.9Å; D330-N332 PolarHBondContact O-N 3.24Å; N332-I336 WeakPolarHBondContact O-CD1 3.33Å; N332-I336 WeakPolarHBondContact O-CG1 3.38Å |
| 333 | R | 49.8 | Very low | 48.8 | Very low | 211 Ų | 211 | 123.3 Ų | 123.3 | 80% | 0.796 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.5 | -40 | 176.3 | -120 | -178 | -178.4 | -77.9 | -1.3 | 112.4 | D330 T331 D337 | D330-R333 PolarHBondContact O-N 2.85Å; D330-R333 VanDerWaalsContact O-N 3.12Å; T331-R333 PolarHBondContact O-N 3.4Å; R333-D337 PolarHBondContact O-N 3.29Å |
| 334 | A | 50.4 | Low | 49.3 | Very low | 62 Ų | 62 | 123 Ų | 123 | 51% | 0.512 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.6 | -38.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T331 I336 D337 V338 | T331-A334 PolarHBondContact O-N 2.91Å; A334-I336 PolarHBondContact O-N 2.93Å; A334-D337 PolarHBondContact O-N 3.38Å; A334-V338 WeakPolarHBondContact O-CG2 3.46Å; A334-V338 PolarHBondContact O-N 3.48Å |
| 335 | I | 50.6 | Low | 49.5 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 52% | 0.518 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.5 | -36.6 | -177.4 | -61.3 | 173.2 | 0 | 0 | 0 | 111.5 | T331 V339 | T331-I335 HydrophobicContact CG2-CD1 4.2Å; I335-V339 WeakPolarHBondContact O-CG2 3.27Å; I335-V339 PolarHBondContact O-N 2.84Å |
| 336 | I | 51.5 | Low | 50.4 | Low | 123 Ų | 123 | 120 Ų | 120 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.7 | -38.5 | 178.5 | -65.4 | 171.4 | 0 | 0 | 0 | 111.1 | N332 A334 V339 A340 | N332-I336 WeakPolarHBondContact O-CD1 3.33Å; N332-I336 WeakPolarHBondContact O-CG1 3.38Å; A334-I336 PolarHBondContact O-N 2.93Å; I336-V339 PolarHBondContact O-N 3.3Å; I336-A340 PolarHBondContact O-N 2.89Å |
| 337 | D | 51.2 | Low | 50.8 | Low | 124 Ų | 124 | 114.6 Ų | 114.6 | 66% | 0.663 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.7 | -40.1 | -177.1 | -145.4 | 25.3 | 0 | 0 | 0 | 112.1 | R333 A334 V339 A340 G341 | R333-D337 PolarHBondContact O-N 3.29Å; A334-D337 PolarHBondContact O-N 3.38Å; D337-V339 PolarHBondContact O-N 3.34Å; D337-A340 PolarHBondContact O-N 3.4Å; D337-G341 PolarHBondContact O-N 3.11Å; D337-G341 VanDerWaalsContact O-N 3.08Å |
| 338 | V | 52.5 | Low | 51.4 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.6 | -42.4 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | A334 G341 E342 | A334-V338 WeakPolarHBondContact O-CG2 3.46Å; A334-V338 PolarHBondContact O-N 3.48Å; V338-G341 PolarHBondContact O-N 3.32Å; V338-E342 PolarHBondContact O-N 3.02Å |
| 339 | V | 51.3 | Low | 52.7 | Low | 82 Ų | 82 | 111.5 Ų | 111.5 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.1 | -32.7 | 177.8 | 175 | 0 | 0 | 0 | 0 | 111.8 | I335 I336 D337 G341 I343 | I335-V339 WeakPolarHBondContact O-CG2 3.27Å; I335-V339 PolarHBondContact O-N 2.84Å; I336-V339 PolarHBondContact O-N 3.3Å; D337-V339 PolarHBondContact O-N 3.34Å; V339-G341 VanDerWaalsContact C-N 3.34Å; V339-I343 HydrophobicContact CG1-CD1 4.49Å |
| 340 | A | 50.5 | Low | 53.8 | Low | 41 Ų | 41 | 108 Ų | 108 | 34% | 0.339 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64 | -38.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I336 D337 E342 I343 L344 | I336-A340 PolarHBondContact O-N 2.89Å; D337-A340 PolarHBondContact O-N 3.4Å; A340-E342 PolarHBondContact O-N 3.12Å; A340-I343 PolarHBondContact O-N 2.73Å; A340-L344 WeakPolarHBondContact O-CB 3.26Å; A340-L344 PolarHBondContact O-N 2.91Å |
| 341 | G | 51.1 | Low | 55.3 | Low | 31 Ų | 31 | 105 Ų | 105 | 32% | 0.32 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D337 V338 V339 T345 | D337-G341 PolarHBondContact O-N 3.11Å; D337-G341 VanDerWaalsContact O-N 3.08Å; V338-G341 PolarHBondContact O-N 3.32Å; V339-G341 VanDerWaalsContact C-N 3.34Å; G341-T345 WeakPolarHBondContact O-CB 3.21Å; G341-T345 WeakPolarHBondContact O-CG2 3.12Å; G341-T345 PolarHBondContact O-N 2.8Å; G341-T345 PolarHBondContact O-OG1 3.49Å |
| 342 | E | 52.1 | Low | 56.8 | Low | 142 Ų | 142 | 104.1 Ų | 104.1 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68 | -35 | 177 | -105 | -161.6 | 127 | 0 | 0 | 112.8 | V338 A340 T345 R346 | V338-E342 PolarHBondContact O-N 3.02Å; A340-E342 PolarHBondContact O-N 3.12Å; E342-T345 WeakPolarHBondContact CA-OG1 3.45Å; E342-T345 PolarHBondContact O-OG1 3.47Å; E342-T345 VanDerWaalsContact O-OG1 3.1Å; E342-R346 PolarHBondContact O-N 2.67Å |
| 343 | I | 53.2 | Low | 58.6 | Low | 111 Ų | 111 | 101.5 Ų | 101.5 | 57% | 0.569 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74 | -44.2 | 178 | -59 | 171.5 | 0 | 0 | 0 | 110 | V339 A340 T345 R346 Q347 | V339-I343 HydrophobicContact CG1-CD1 4.49Å; A340-I343 PolarHBondContact O-N 2.73Å; I343-T345 VanDerWaalsContact C-N 3.35Å; I343-T345 PolarHBondContact O-N 2.96Å; I343-R346 PolarHBondContact O-N 3.29Å; I343-Q347 WeakPolarHBondContact O-CB 3.29Å; I343-Q347 PolarHBondContact O-N 3.48Å |
| 344 | L | 53.5 | Low | 60.4 | Low | 101 Ų | 101 | 97 Ų | 97 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 175.3 | -86.7 | 161.8 | 0 | 0 | 0 | 112.4 | A340 Q347 L348 | A340-L344 WeakPolarHBondContact O-CB 3.26Å; A340-L344 PolarHBondContact O-N 2.91Å; L344-Q347 PolarHBondContact O-N 2.91Å; L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 WeakPolarHBondContact O-CD1 3.24Å; L344-L348 PolarHBondContact O-N 3.44Å |
| 345 | T | 50.8 | Low | 62 | Low | 82 Ų | 82 | 98.3 Ų | 98.3 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 178.4 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | G341 E342 I343 L348 V349 | G341-T345 WeakPolarHBondContact O-CB 3.21Å; G341-T345 WeakPolarHBondContact O-CG2 3.12Å; G341-T345 PolarHBondContact O-N 2.8Å; G341-T345 PolarHBondContact O-OG1 3.49Å; E342-T345 WeakPolarHBondContact CA-OG1 3.45Å; E342-T345 PolarHBondContact O-OG1 3.47Å; E342-T345 VanDerWaalsContact O-OG1 3.1Å; I343-T345 VanDerWaalsContact C-N 3.35Å; I343-T345 PolarHBondContact O-N 2.96Å; T345-L348 PolarHBondContact O-N 3.19Å; T345-V349 WeakPolarHBondContact O-CG2 3.39Å; T345-V349 PolarHBondContact O-N 3.46Å |
| 346 | R | 57.4 | Low | 63.9 | Low | 188 Ų | 188 | 96.2 Ų | 96.2 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 170.4 | -77.1 | -166.8 | 176.1 | -142.1 | 0.7 | 112.3 | E342 I343 L348 V349 D350 | E342-R346 PolarHBondContact O-N 2.67Å; I343-R346 PolarHBondContact O-N 3.29Å; R346-L348 VanDerWaalsContact C-N 3.29Å; R346-L348 PolarHBondContact O-N 2.79Å; R346-V349 PolarHBondContact O-N 2.84Å; R346-V349 VanDerWaalsContact O-N 3.09Å; R346-D350 PolarHBondContact O-N 3.31Å |
| 347 | Q | 56.4 | Low | 65.8 | Low | 120 Ų | 120 | 95.6 Ų | 95.6 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -32.8 | 178.3 | -170.3 | 172.1 | -25.6 | 0 | 0 | 112.4 | I343 L344 T351 | I343-Q347 WeakPolarHBondContact O-CB 3.29Å; I343-Q347 PolarHBondContact O-N 3.48Å; L344-Q347 PolarHBondContact O-N 2.91Å; Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.47Å; Q347-T351 PolarHBondContact O-N 2.75Å; Q347-T351 PolarHBondContact O-OG1 2.78Å |
| 348 | L | 60 | Low | 67.6 | Low | 114 Ų | 114 | 94.3 Ų | 94.3 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.5 | -40.2 | 169.9 | -103.7 | 66.2 | 0 | 0 | 0 | 112.4 | L344 T345 R346 T351 S352 | L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 WeakPolarHBondContact O-CD1 3.24Å; L344-L348 PolarHBondContact O-N 3.44Å; T345-L348 PolarHBondContact O-N 3.19Å; R346-L348 VanDerWaalsContact C-N 3.29Å; R346-L348 PolarHBondContact O-N 2.79Å; L348-T351 PolarHBondContact O-N 3.48Å; L348-S352 VanDerWaalsContact O-CB 3.24Å; L348-S352 WeakPolarHBondContact O-CB 3.28Å; L348-S352 PolarHBondContact O-N 3.31Å; L348-S352 PolarHBondContact O-OG 3.29Å |
| 349 | V | 66.3 | Low | 69.2 | Low | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 175.3 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | T345 R346 T351 S352 A353 | T345-V349 WeakPolarHBondContact O-CG2 3.39Å; T345-V349 PolarHBondContact O-N 3.46Å; R346-V349 PolarHBondContact O-N 2.84Å; R346-V349 VanDerWaalsContact O-N 3.09Å; V349-T351 VanDerWaalsContact C-N 3.34Å; V349-T351 PolarHBondContact O-N 3.47Å; V349-S352 PolarHBondContact O-N 2.9Å; V349-S352 PolarHBondContact O-OG 2.83Å; V349-A353 WeakPolarHBondContact O-CB 2.99Å; V349-A353 PolarHBondContact O-N 2.85Å |
| 350 | D | 73.6 | Confident | 71.1 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 177 | -70.6 | -35.4 | 0 | 0 | 0 | 112.1 | R346 A353 L354 | R346-D350 PolarHBondContact O-N 3.31Å; D350-A353 PolarHBondContact O-N 2.94Å; D350-L354 WeakPolarHBondContact O-CB 3.46Å; D350-L354 PolarHBondContact O-N 2.93Å |
| 351 | T | 80.4 | Confident | 73.1 | Confident | 70 Ų | 70 | 97.1 Ų | 97.1 | 43% | 0.429 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.6 | Q347 L348 V349 L354 L355 | Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.47Å; Q347-T351 PolarHBondContact O-N 2.75Å; Q347-T351 PolarHBondContact O-OG1 2.78Å; L348-T351 PolarHBondContact O-N 3.48Å; V349-T351 VanDerWaalsContact C-N 3.34Å; V349-T351 PolarHBondContact O-N 3.47Å; T351-L354 PolarHBondContact O-N 3.28Å; T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 WeakPolarHBondContact O-CB 3.29Å; T351-L355 WeakPolarHBondContact O-CG 3.2Å; T351-L355 PolarHBondContact O-N 3.26Å |
| 352 | S | 81.7 | Confident | 75 | Confident | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.5 | -34.8 | 179 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | L348 V349 L355 A356 | L348-S352 VanDerWaalsContact O-CB 3.24Å; L348-S352 WeakPolarHBondContact O-CB 3.28Å; L348-S352 PolarHBondContact O-N 3.31Å; L348-S352 PolarHBondContact O-OG 3.29Å; V349-S352 PolarHBondContact O-N 2.9Å; V349-S352 PolarHBondContact O-OG 2.83Å; S352-L355 PolarHBondContact O-N 3.45Å; S352-A356 VanDerWaalsContact O-CB 3.31Å; S352-A356 WeakPolarHBondContact O-CB 3.22Å; S352-A356 PolarHBondContact O-N 2.92Å |
| 353 | A | 86.1 | Confident | 76.7 | Confident | 49 Ų | 49 | 97.7 Ų | 97.7 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V349 D350 A356 V357 | V349-A353 WeakPolarHBondContact O-CB 2.99Å; V349-A353 PolarHBondContact O-N 2.85Å; D350-A353 PolarHBondContact O-N 2.94Å; A353-A356 PolarHBondContact O-N 2.91Å; A353-V357 WeakPolarHBondContact O-CG2 3.26Å; A353-V357 PolarHBondContact O-N 3.24Å |
| 354 | L | 86.9 | Confident | 78.6 | Confident | 117 Ų | 117 | 98.9 Ų | 98.9 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -45 | 174.3 | -165.8 | 160.5 | 0 | 0 | 0 | 111.2 | D350 T351 V357 L358 | D350-L354 WeakPolarHBondContact O-CB 3.46Å; D350-L354 PolarHBondContact O-N 2.93Å; T351-L354 PolarHBondContact O-N 3.28Å; L354-V357 PolarHBondContact O-N 3.41Å; L354-L358 VanDerWaalsContact O-CB 3.29Å; L354-L358 WeakPolarHBondContact O-CB 3.15Å; L354-L358 PolarHBondContact O-N 2.91Å |
| 355 | L | 85.4 | Confident | 80.5 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 174.1 | -73.7 | 171.1 | 0 | 0 | 0 | 112.4 | T351 S352 L358 L359 | T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 WeakPolarHBondContact O-CB 3.29Å; T351-L355 WeakPolarHBondContact O-CG 3.2Å; T351-L355 PolarHBondContact O-N 3.26Å; S352-L355 PolarHBondContact O-N 3.45Å; L355-L358 PolarHBondContact O-N 3.29Å; L355-L359 WeakPolarHBondContact O-CB 3.33Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.48Å |
| 356 | A | 89.3 | Confident | 82.5 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S352 A353 L359 F360 | S352-A356 VanDerWaalsContact O-CB 3.31Å; S352-A356 WeakPolarHBondContact O-CB 3.22Å; S352-A356 PolarHBondContact O-N 2.92Å; A353-A356 PolarHBondContact O-N 2.91Å; A356-L359 PolarHBondContact O-N 3.27Å; A356-F360 VanDerWaalsContact O-CB 3.27Å; A356-F360 WeakPolarHBondContact O-CB 3.33Å; A356-F360 PolarHBondContact O-N 2.88Å |
| 357 | V | 92.2 | Very high | 84.3 | Confident | 109 Ų | 109 | 94 Ų | 94 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | A353 L354 G361 | A353-V357 WeakPolarHBondContact O-CG2 3.26Å; A353-V357 PolarHBondContact O-N 3.24Å; L354-V357 PolarHBondContact O-N 3.41Å; V357-G361 PolarHBondContact O-N 3.47Å |
| 358 | L | 88.2 | Confident | 86.1 | Confident | 97 Ų | 97 | 90 Ų | 90 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 177.6 | -170.9 | 156.6 | 0 | 0 | 0 | 111.7 | L354 L355 G361 L362 | L354-L358 VanDerWaalsContact O-CB 3.29Å; L354-L358 WeakPolarHBondContact O-CB 3.15Å; L354-L358 PolarHBondContact O-N 2.91Å; L355-L358 PolarHBondContact O-N 3.29Å; L358-G361 PolarHBondContact O-N 3.22Å; L358-L362 VanDerWaalsContact O-CB 3.29Å; L358-L362 WeakPolarHBondContact O-CB 3.26Å; L358-L362 PolarHBondContact O-N 3.19Å |
| 359 | L | 86.3 | Confident | 87.8 | Confident | 103 Ų | 103 | 87.1 Ų | 87.1 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.7 | -72.6 | 171 | 0 | 0 | 0 | 112 | L355 A356 L362 L363 | L355-L359 WeakPolarHBondContact O-CB 3.33Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.48Å; A356-L359 PolarHBondContact O-N 3.27Å; L359-L362 PolarHBondContact O-N 2.94Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3.2Å |
| 360 | F | 91.3 | Very high | 89.2 | Confident | 153 Ų | 153 | 85.4 Ų | 85.4 | 67% | 0.671 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 175.5 | -172.9 | -96.8 | 0 | 0 | 0 | 111.6 | A356 L363 F364 | A356-F360 VanDerWaalsContact O-CB 3.27Å; A356-F360 WeakPolarHBondContact O-CB 3.33Å; A356-F360 PolarHBondContact O-N 2.88Å; F360-L363 PolarHBondContact O-N 3.42Å; F360-F364 WeakPolarHBondContact O-CB 3.36Å; F360-F364 PolarHBondContact O-N 2.82Å |
| 361 | G | 92.4 | Very high | 90.2 | Very high | 36 Ų | 36 | 84.6 Ų | 84.6 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | V357 L358 F364 F365 | V357-G361 PolarHBondContact O-N 3.47Å; L358-G361 PolarHBondContact O-N 3.22Å; G361-F364 PolarHBondContact O-N 3.3Å; G361-F365 WeakPolarHBondContact O-CB 3.33Å; G361-F365 PolarHBondContact O-N 2.89Å |
| 362 | L | 90.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 87.5 Ų | 87.5 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 176.2 | -178 | 63.7 | 0 | 0 | 0 | 112.1 | L358 L359 F365 L366 | L358-L362 VanDerWaalsContact O-CB 3.29Å; L358-L362 WeakPolarHBondContact O-CB 3.26Å; L358-L362 PolarHBondContact O-N 3.19Å; L359-L362 PolarHBondContact O-N 2.94Å; L362-F365 PolarHBondContact O-N 2.82Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 PolarHBondContact O-N 3.1Å |
| 363 | L | 89.7 | Confident | 91.6 | Very high | 94 Ų | 94 | 89.8 Ų | 89.8 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 173.6 | -87.4 | 164.3 | 0 | 0 | 0 | 111.5 | L359 F360 F365 L366 V367 | L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3.2Å; F360-L363 PolarHBondContact O-N 3.42Å; L363-F365 PolarHBondContact O-N 2.99Å; L363-L366 PolarHBondContact O-N 3.31Å; L363-V367 WeakPolarHBondContact O-CG2 3.48Å; L363-V367 PolarHBondContact O-N 2.95Å |
| 364 | F | 92.4 | Very high | 91.8 | Very high | 135 Ų | 135 | 89.8 Ų | 89.8 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 177.9 | -176.8 | -97.3 | 0 | 0 | 0 | 112 | F360 G361 V367 T368 | F360-F364 WeakPolarHBondContact O-CB 3.36Å; F360-F364 PolarHBondContact O-N 2.82Å; G361-F364 PolarHBondContact O-N 3.3Å; F364-V367 PolarHBondContact O-N 3.41Å; F364-T368 VanDerWaalsContact O-CB 3.28Å; F364-T368 WeakPolarHBondContact O-CB 3.46Å; F364-T368 PolarHBondContact O-N 2.73Å; F364-T368 PolarHBondContact O-OG1 3.45Å |
| 365 | F | 93.4 | Very high | 92.1 | Very high | 130 Ų | 130 | 90.1 Ų | 90.1 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.2 | -47 | 174.1 | 175.9 | -102.4 | 0 | 0 | 0 | 111.6 | G361 L362 L363 V367 T368 V369 | G361-F365 WeakPolarHBondContact O-CB 3.33Å; G361-F365 PolarHBondContact O-N 2.89Å; L362-F365 PolarHBondContact O-N 2.82Å; L363-F365 PolarHBondContact O-N 2.99Å; F365-V367 PolarHBondContact O-N 3.35Å; F365-T368 WeakPolarHBondContact O-CB 3.5Å; F365-T368 PolarHBondContact O-N 2.83Å; F365-V369 HydrophobicContact CD1-CG2 4.26Å; F365-V369 HydrophobicContact CD2-CG2 4.29Å; F365-V369 HydrophobicContact CE1-CG2 3.88Å; F365-V369 HydrophobicContact CE2-CG2 3.91Å; F365-V369 HydrophobicContact CG-CG2 4.46Å; F365-V369 HydrophobicContact CZ-CG2 3.69Å; F365-V369 WeakPolarHBondContact O-CB 3.38Å; F365-V369 WeakPolarHBondContact O-CG2 3.17Å; F365-V369 PolarHBondContact O-N 2.9Å |
| 366 | L | 93 | Very high | 92.3 | Very high | 61 Ų | 61 | 88.7 Ų | 88.7 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 179.5 | -170.3 | 150 | 0 | 0 | 0 | 111.8 | L16 L362 L363 V369 V370 | L16-L366 HydrophobicContact CD1-CD1 4.39Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 PolarHBondContact O-N 3.1Å; L363-L366 PolarHBondContact O-N 3.31Å; L366-V369 PolarHBondContact O-N 2.79Å; L366-V370 HydrophobicContact CD2-CG2 4.23Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 3.24Å |
| 367 | V | 94.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 91 Ų | 91 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 172.5 | 170.6 | 0 | 0 | 0 | 0 | 111 | L363 F364 F365 V369 V370 L371 | L363-V367 WeakPolarHBondContact O-CG2 3.48Å; L363-V367 PolarHBondContact O-N 2.95Å; F364-V367 PolarHBondContact O-N 3.41Å; F365-V367 PolarHBondContact O-N 3.35Å; V367-V369 PolarHBondContact O-N 3.49Å; V367-V370 PolarHBondContact O-N 3.1Å; V367-L371 HydrophobicContact CG1-CD1 4.06Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.23Å; V367-L371 PolarHBondContact O-N 3.4Å |
| 368 | T | 94.7 | Very high | 92.2 | Very high | 38 Ų | 38 | 92.3 Ų | 92.3 | 23% | 0.233 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 178.4 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | F364 F365 L371 F372 | F364-T368 VanDerWaalsContact O-CB 3.28Å; F364-T368 WeakPolarHBondContact O-CB 3.46Å; F364-T368 PolarHBondContact O-N 2.73Å; F364-T368 PolarHBondContact O-OG1 3.45Å; F365-T368 WeakPolarHBondContact O-CB 3.5Å; F365-T368 PolarHBondContact O-N 2.83Å; T368-L371 PolarHBondContact O-N 2.82Å; T368-F372 HydrophobicContact CG2-CD2 3.72Å; T368-F372 HydrophobicContact CG2-CE2 3.56Å; T368-F372 VanDerWaalsContact O-CD2 3.26Å; T368-F372 WeakPolarHBondContact O-CD2 3.2Å; T368-F372 PolarHBondContact O-N 2.95Å |
| 369 | V | 96.1 | Very high | 92.2 | Very high | 52 Ų | 52 | 91.1 Ų | 91.1 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | F365 L366 V367 L371 F372 L373 | F365-V369 HydrophobicContact CD1-CG2 4.26Å; F365-V369 HydrophobicContact CD2-CG2 4.29Å; F365-V369 HydrophobicContact CE1-CG2 3.88Å; F365-V369 HydrophobicContact CE2-CG2 3.91Å; F365-V369 HydrophobicContact CG-CG2 4.46Å; F365-V369 HydrophobicContact CZ-CG2 3.69Å; F365-V369 WeakPolarHBondContact O-CB 3.38Å; F365-V369 WeakPolarHBondContact O-CG2 3.17Å; F365-V369 PolarHBondContact O-N 2.9Å; L366-V369 PolarHBondContact O-N 2.79Å; V367-V369 PolarHBondContact O-N 3.49Å; V369-L371 VanDerWaalsContact C-N 3.32Å; V369-L371 PolarHBondContact O-N 2.84Å; V369-F372 PolarHBondContact O-N 3.14Å; V369-L373 HydrophobicContact CG1-CD1 3.97Å; V369-L373 WeakPolarHBondContact O-CB 3.37Å; V369-L373 WeakPolarHBondContact O-CD1 3.44Å; V369-L373 PolarHBondContact O-N 3.03Å |
| 370 | V | 95.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 93.3 Ų | 93.3 | 33% | 0.327 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 176.8 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | L366 V367 T374 | L366-V370 HydrophobicContact CD2-CG2 4.23Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 3.24Å; V367-V370 PolarHBondContact O-N 3.1Å; V370-T374 VanDerWaalsContact O-CB 3.27Å; V370-T374 WeakPolarHBondContact O-CB 3.29Å; V370-T374 PolarHBondContact O-N 3.49Å; V370-T374 PolarHBondContact O-OG1 3.2Å |
| 371 | L | 94.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 90 Ų | 90 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 174.2 | -71.2 | 171.8 | 0 | 0 | 0 | 111.7 | V367 T368 V369 T374 Q375 | V367-L371 HydrophobicContact CG1-CD1 4.06Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.23Å; V367-L371 PolarHBondContact O-N 3.4Å; T368-L371 PolarHBondContact O-N 2.82Å; V369-L371 VanDerWaalsContact C-N 3.32Å; V369-L371 PolarHBondContact O-N 2.84Å; L371-T374 PolarHBondContact O-N 3.2Å; L371-Q375 WeakPolarHBondContact O-CG 3.43Å; L371-Q375 PolarHBondContact O-N 3.45Å |
| 372 | F | 95.4 | Very high | 91 | Very high | 132 Ų | 132 | 97.9 Ų | 97.9 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 175.4 | -83.3 | -62.6 | 0 | 0 | 0 | 112.3 | T368 V369 T374 Q375 A376 | T368-F372 HydrophobicContact CG2-CD2 3.72Å; T368-F372 HydrophobicContact CG2-CE2 3.56Å; T368-F372 VanDerWaalsContact O-CD2 3.26Å; T368-F372 WeakPolarHBondContact O-CD2 3.2Å; T368-F372 PolarHBondContact O-N 2.95Å; V369-F372 PolarHBondContact O-N 3.14Å; F372-T374 VanDerWaalsContact C-N 3.3Å; F372-T374 PolarHBondContact O-N 3.06Å; F372-Q375 PolarHBondContact O-N 3.27Å; F372-A376 VanDerWaalsContact O-CB 3.29Å; F372-A376 WeakPolarHBondContact O-CB 3.27Å; F372-A376 PolarHBondContact O-N 2.82Å |
| 373 | L | 95.1 | Very high | 89.9 | Confident | 113 Ų | 113 | 100.9 Ų | 100.9 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.1 | -41.7 | 174.4 | -96.8 | 61.8 | 0 | 0 | 0 | 111.3 | V369 Q375 Y377 | V369-L373 HydrophobicContact CG1-CD1 3.97Å; V369-L373 WeakPolarHBondContact O-CB 3.37Å; V369-L373 WeakPolarHBondContact O-CD1 3.44Å; V369-L373 PolarHBondContact O-N 3.03Å; L373-Q375 PolarHBondContact O-N 2.94Å; L373-Y377 WeakPolarHBondContact O-CB 3.38Å; L373-Y377 PolarHBondContact O-N 3.47Å |
| 374 | T | 91.1 | Very high | 88.7 | Confident | 49 Ų | 49 | 99 Ų | 99 | 30% | 0.301 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | V370 L371 F372 K378 | V370-T374 VanDerWaalsContact O-CB 3.27Å; V370-T374 WeakPolarHBondContact O-CB 3.29Å; V370-T374 PolarHBondContact O-N 3.49Å; V370-T374 PolarHBondContact O-OG1 3.2Å; L371-T374 PolarHBondContact O-N 3.2Å; F372-T374 VanDerWaalsContact C-N 3.3Å; F372-T374 PolarHBondContact O-N 3.06Å; T374-K378 HydrophobicContact CG2-CD 4.24Å; T374-K378 WeakPolarHBondContact O-CB 3.46Å; T374-K378 VanDerWaalsContact O-CG 3.23Å; T374-K378 WeakPolarHBondContact O-CG 3.41Å; T374-K378 PolarHBondContact O-N 3.04Å; T374-K378 VanDerWaalsContact O-N 3.1Å |
| 375 | Q | 92.4 | Very high | 87.3 | Confident | 125 Ų | 125 | 99.7 Ų | 99.7 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70 | -48.4 | 176.2 | -69.3 | 177.8 | 26.7 | 0 | 0 | 111.7 | L371 F372 L373 Y377 K378 S379 | L371-Q375 WeakPolarHBondContact O-CG 3.43Å; L371-Q375 PolarHBondContact O-N 3.45Å; F372-Q375 PolarHBondContact O-N 3.27Å; L373-Q375 PolarHBondContact O-N 2.94Å; Q375-Y377 VanDerWaalsContact C-N 3.35Å; Q375-Y377 PolarHBondContact O-N 3.44Å; Q375-K378 PolarHBondContact O-N 2.9Å; Q375-S379 WeakPolarHBondContact O-CB 3.41Å; Q375-S379 PolarHBondContact O-N 3.46Å |
| 376 | A | 90 | Very high | 85.7 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 49% | 0.488 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F372 S379 Y380 | F372-A376 VanDerWaalsContact O-CB 3.29Å; F372-A376 WeakPolarHBondContact O-CB 3.27Å; F372-A376 PolarHBondContact O-N 2.82Å; A376-S379 WeakPolarHBondContact O-CB 3.43Å; A376-S379 PolarHBondContact O-N 3.49Å; A376-Y380 WeakPolarHBondContact O-CB 3.5Å; A376-Y380 PolarHBondContact O-N 3.35Å |
| 377 | Y | 92 | Very high | 84.1 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 175.7 | 179.6 | -94 | 0 | 0 | 0 | 112.6 | M1 L373 Q375 S379 Y380 R381 | M1-Y377 PolarHBondContact SD-OH 3.48Å; L373-Y377 WeakPolarHBondContact O-CB 3.38Å; L373-Y377 PolarHBondContact O-N 3.47Å; Q375-Y377 VanDerWaalsContact C-N 3.35Å; Q375-Y377 PolarHBondContact O-N 3.44Å; Y377-S379 VanDerWaalsContact C-N 3.3Å; Y377-S379 PolarHBondContact O-N 3.25Å; Y377-Y380 PolarHBondContact O-N 3.18Å; Y377-R381 HydrophobicContact CD1-CG 4.26Å; Y377-R381 HydrophobicContact CE1-CG 3.73Å; Y377-R381 HydrophobicContact CE2-CG 4.03Å; Y377-R381 WeakPolarHBondContact O-CB 3.45Å; Y377-R381 WeakPolarHBondContact O-CG 3.34Å; Y377-R381 PolarHBondContact O-N 3.44Å; Y377-R381 PolarHBondContact OH-NE 3.39Å; Y377-R381 VanDerWaalsContact OH-NE 3.14Å |
| 378 | K | 87.6 | Confident | 82.6 | Confident | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -35.3 | 173.9 | -77 | 172.6 | -179.1 | 177.5 | 0 | 112.3 | T374 Q375 R382 | T374-K378 HydrophobicContact CG2-CD 4.24Å; T374-K378 WeakPolarHBondContact O-CB 3.46Å; T374-K378 VanDerWaalsContact O-CG 3.23Å; T374-K378 WeakPolarHBondContact O-CG 3.41Å; T374-K378 PolarHBondContact O-N 3.04Å; T374-K378 VanDerWaalsContact O-N 3.1Å; Q375-K378 PolarHBondContact O-N 2.9Å; K378-R382 WeakPolarHBondContact O-CG 3.47Å; K378-R382 PolarHBondContact O-N 2.82Å |
| 379 | S | 87.4 | Confident | 81.2 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.1 | -48.3 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | Q375 A376 Y377 R382 | Q375-S379 WeakPolarHBondContact O-CB 3.41Å; Q375-S379 PolarHBondContact O-N 3.46Å; A376-S379 WeakPolarHBondContact O-CB 3.43Å; A376-S379 PolarHBondContact O-N 3.49Å; Y377-S379 VanDerWaalsContact C-N 3.3Å; Y377-S379 PolarHBondContact O-N 3.25Å; S379-R382 PolarHBondContact O-N 3.4Å |
| 380 | Y | 86.1 | Confident | 79.6 | Confident | 148 Ų | 148 | 109.1 Ų | 109.1 | 58% | 0.58 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.9 | -52.5 | 176.4 | -179.3 | -103.7 | 0 | 0 | 0 | 111.6 | A376 Y377 R382 K383 | A376-Y380 WeakPolarHBondContact O-CB 3.5Å; A376-Y380 PolarHBondContact O-N 3.35Å; Y377-Y380 PolarHBondContact O-N 3.18Å; Y380-R382 PolarHBondContact O-N 2.85Å; Y380-K383 WeakPolarHBondContact O-CB 3.07Å; Y380-K383 PolarHBondContact O-N 2.93Å |
| 381 | R | 82.8 | Confident | 78.3 | Confident | 85 Ų | 85 | 112.5 Ų | 112.5 | 32% | 0.321 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -20.3 | 179.1 | -76.6 | -63.6 | -118.7 | 142.2 | -1.3 | 114.9 | M1 Y377 | M1-R381 PolarHBondContact SD-NH2 3.27Å; Y377-R381 HydrophobicContact CD1-CG 4.26Å; Y377-R381 HydrophobicContact CE1-CG 3.73Å; Y377-R381 HydrophobicContact CE2-CG 4.03Å; Y377-R381 WeakPolarHBondContact O-CB 3.45Å; Y377-R381 WeakPolarHBondContact O-CG 3.34Å; Y377-R381 PolarHBondContact O-N 3.44Å; Y377-R381 PolarHBondContact OH-NE 3.39Å; Y377-R381 VanDerWaalsContact OH-NE 3.14Å |
| 382 | R | 77.1 | Confident | 76.7 | Confident | 201 Ų | 201 | 112.5 Ų | 112.5 | 76% | 0.758 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -83.2 | -15.2 | 174.4 | -77.4 | -177.4 | 174.8 | -164.7 | -1.6 | 113.7 | K378 S379 Y380 | K378-R382 WeakPolarHBondContact O-CG 3.47Å; K378-R382 PolarHBondContact O-N 2.82Å; S379-R382 PolarHBondContact O-N 3.4Å; Y380-R382 PolarHBondContact O-N 2.85Å |
| 383 | K | 67.3 | Low | 75.2 | Confident | 154 Ų | 154 | 110.6 Ų | 110.6 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.7 | -44.8 | 173.2 | -70 | -174.3 | 173.3 | -177.2 | 0 | 111.6 | Y380 Y385 N386 Q387 | Y380-K383 WeakPolarHBondContact O-CB 3.07Å; Y380-K383 PolarHBondContact O-N 2.93Å; K383-Y385 PolarHBondContact O-N 3.49Å; K383-N386 PolarHBondContact O-N 3.39Å; K383-Q387 PolarHBondContact O-N 3.47Å |
| 384 | D | 64.6 | Low | 73.7 | Confident | 55 Ų | 55 | 107 Ų | 107 | 29% | 0.294 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | -177.6 | -46.2 | -34.4 | 0 | 0 | 0 | 112.3 | N386 Q387 V388 | D384-N386 PolarHBondContact O-N 3.29Å; D384-Q387 PolarHBondContact O-N 3.33Å; D384-V388 PolarHBondContact O-N 3.3Å |
| 385 | Y | 63.2 | Low | 72.4 | Confident | 150 Ų | 150 | 111.5 Ų | 111.5 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.8 | -47.6 | -178 | -100.5 | -83.3 | 0 | 0 | 0 | 112.5 | K383 Q387 V388 D389 | K383-Y385 PolarHBondContact O-N 3.49Å; Y385-Q387 VanDerWaalsContact C-N 3.28Å; Y385-Q387 PolarHBondContact O-N 3.1Å; Y385-V388 PolarHBondContact O-N 3.46Å; Y385-D389 PolarHBondContact O-N 3.46Å; Y385-D389 VanDerWaalsContact O-N 3.1Å |
| 386 | N | 59.5 | Low | 70.8 | Confident | 90 Ų | 90 | 114.3 Ų | 114.3 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 177.8 | -84.6 | 23.2 | 0 | 0 | 0 | 111.9 | K383 D384 V388 D389 Y390 | K383-N386 PolarHBondContact O-N 3.39Å; D384-N386 PolarHBondContact O-N 3.29Å; N386-V388 PolarHBondContact O-N 3.29Å; N386-D389 PolarHBondContact O-N 3.23Å; N386-Y390 HydrophobicContact CB-CD2 4.16Å; N386-Y390 HydrophobicContact CB-CE2 4.02Å; N386-Y390 WeakPolarHBondContact O-CB 3Å; N386-Y390 WeakPolarHBondContact O-CD2 3.38Å; N386-Y390 PolarHBondContact O-N 3.39Å |
| 387 | Q | 59 | Low | 69.4 | Low | 136 Ų | 136 | 116.1 Ų | 116.1 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.8 | -34.4 | -176.4 | -166.5 | 170.3 | 9.1 | 0 | 0 | 112.6 | K383 D384 Y385 L391 | K383-Q387 PolarHBondContact O-N 3.47Å; D384-Q387 PolarHBondContact O-N 3.33Å; Y385-Q387 VanDerWaalsContact C-N 3.28Å; Y385-Q387 PolarHBondContact O-N 3.1Å; Q387-L391 HydrophobicContact CG-CD1 4.4Å; Q387-L391 WeakPolarHBondContact O-CD1 3.34Å; Q387-L391 PolarHBondContact O-N 3.46Å; Q387-L391 VanDerWaalsContact O-N 3.09Å |
| 388 | V | 63.3 | Low | 68.1 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.1 | -45.1 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | D384 Y385 N386 Y390 L391 I392 | D384-V388 PolarHBondContact O-N 3.3Å; Y385-V388 PolarHBondContact O-N 3.46Å; N386-V388 PolarHBondContact O-N 3.29Å; V388-Y390 VanDerWaalsContact C-N 3.3Å; V388-Y390 PolarHBondContact O-N 3.2Å; V388-L391 PolarHBondContact O-N 3.01Å; V388-I392 HydrophobicContact CG1-CD1 4.4Å; V388-I392 PolarHBondContact O-N 2.84Å; V388-I392 VanDerWaalsContact O-N 3.12Å |
| 389 | D | 64.8 | Low | 66.8 | Low | 77 Ų | 77 | 116.2 Ų | 116.2 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.7 | -31.5 | 177.4 | -70.5 | -27.7 | 0 | 0 | 0 | 112.1 | Y385 N386 I392 N393 | Y385-D389 PolarHBondContact O-N 3.46Å; Y385-D389 VanDerWaalsContact O-N 3.1Å; N386-D389 PolarHBondContact O-N 3.23Å; D389-I392 PolarHBondContact O-N 3.45Å; D389-N393 WeakPolarHBondContact O-CB 3.39Å; D389-N393 PolarHBondContact O-N 3.31Å; D389-N393 PolarHBondContact O-ND2 3.12Å |
| 390 | Y | 63.3 | Low | 65.7 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.8 | -30.9 | 172.5 | -77.6 | -54.7 | 0 | 0 | 0 | 113.5 | N386 V388 G394 | N386-Y390 HydrophobicContact CB-CD2 4.16Å; N386-Y390 HydrophobicContact CB-CE2 4.02Å; N386-Y390 WeakPolarHBondContact O-CB 3Å; N386-Y390 WeakPolarHBondContact O-CD2 3.38Å; N386-Y390 PolarHBondContact O-N 3.39Å; V388-Y390 VanDerWaalsContact C-N 3.3Å; V388-Y390 PolarHBondContact O-N 3.2Å; Y390-G394 WeakPolarHBondContact O-CA 3.41Å; Y390-G394 PolarHBondContact O-N 3.09Å |
| 391 | L | 66.7 | Low | 64.1 | Low | 125 Ų | 125 | 119 Ų | 119 | 65% | 0.654 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.6 | -39.8 | 170.9 | -102.3 | 70.5 | 0 | 0 | 0 | 111.4 | Q387 V388 | Q387-L391 HydrophobicContact CG-CD1 4.4Å; Q387-L391 WeakPolarHBondContact O-CD1 3.34Å; Q387-L391 PolarHBondContact O-N 3.46Å; Q387-L391 VanDerWaalsContact O-N 3.09Å; V388-L391 PolarHBondContact O-N 3.01Å |
| 392 | I | 61.6 | Low | 63.1 | Low | 97 Ų | 97 | 120.7 Ų | 120.7 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.9 | -47.6 | 177.8 | -68.4 | 172.8 | 0 | 0 | 0 | 111.1 | V388 D389 Y396 | V388-I392 HydrophobicContact CG1-CD1 4.4Å; V388-I392 PolarHBondContact O-N 2.84Å; V388-I392 VanDerWaalsContact O-N 3.12Å; D389-I392 PolarHBondContact O-N 3.45Å; I392-Y396 WeakPolarHBondContact O-CD2 3.44Å |
| 393 | N | 64.9 | Low | 62.4 | Low | 92 Ų | 92 | 116.5 Ų | 116.5 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.2 | -25.9 | -178.7 | -69.7 | -64 | 0 | 0 | 0 | 113.8 | D389 M395 Y396 S397 | D389-N393 WeakPolarHBondContact O-CB 3.39Å; D389-N393 PolarHBondContact O-N 3.31Å; D389-N393 PolarHBondContact O-ND2 3.12Å; N393-M395 VanDerWaalsContact C-N 3.33Å; N393-M395 PolarHBondContact O-N 3.42Å; N393-Y396 PolarHBondContact O-N 3.19Å; N393-S397 PolarHBondContact O-N 3.5Å; N393-S397 PolarHBondContact O-OG 3.22Å |
| 394 | G | 64 | Low | 62.1 | Low | 36 Ų | 36 | 114.4 Ų | 114.4 | 37% | 0.371 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.2 | -40.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y390 Y396 S397 | Y390-G394 WeakPolarHBondContact O-CA 3.41Å; Y390-G394 PolarHBondContact O-N 3.09Å; G394-Y396 PolarHBondContact O-N 3.17Å; G394-S397 WeakPolarHBondContact O-CB 3.37Å; G394-S397 PolarHBondContact O-N 2.95Å |
| 395 | M | 63.6 | Low | 62 | Low | 145 Ų | 145 | 117.9 Ų | 117.9 | 71% | 0.714 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -27.2 | 173.8 | -110.4 | -65.4 | -56.5 | 0 | 0 | 113.8 | N393 | N393-M395 VanDerWaalsContact C-N 3.33Å; N393-M395 PolarHBondContact O-N 3.42Å |
| 396 | Y | 59 | Low | 61.9 | Low | 183 Ų | 183 | 115.9 Ų | 115.9 | 72% | 0.718 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -8 | 174.9 | -74.6 | -76.7 | 0 | 0 | 0 | 113.9 | I392 N393 G394 | I392-Y396 WeakPolarHBondContact O-CD2 3.44Å; N393-Y396 PolarHBondContact O-N 3.19Å; G394-Y396 PolarHBondContact O-N 3.17Å |
| 397 | S | 60.5 | Low | 62 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -21.1 | -175.4 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | N393 G394 | N393-S397 PolarHBondContact O-N 3.5Å; N393-S397 PolarHBondContact O-OG 3.22Å; G394-S397 WeakPolarHBondContact O-CB 3.37Å; G394-S397 PolarHBondContact O-N 2.95Å |
| 398 | D | 63.4 | Low | 62.3 | Low | 149 Ų | 149 | 116.3 Ų | 116.3 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -100.3 | -3.3 | -173.9 | -158.4 | 41.1 | 0 | 0 | 0 | 113.7 | G400 | D398-G400 VanDerWaalsContact C-N 3.34Å; D398-G400 PolarHBondContact O-N 3.44Å |
| 399 | S | 60.3 | Low | 62.2 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -97.4 | 36.4 | 178.6 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 400 | G | 64.9 | Low | 62 | Low | 65 Ų | 65 | 121.8 Ų | 121.8 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | trans | -125.8 | 25.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | D398 | D398-G400 VanDerWaalsContact C-N 3.34Å; D398-G400 PolarHBondContact O-N 3.44Å | ||
| 401 | V | 51.6 | Low | 61.9 | Low | 214 Ų | 214 | 118.1 Ų | 118.1 | 100% | 1.297 | 69% | 0.687 | S | S | * | * | trans | -137.8 | 0 | 172.6 | -75.1 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 401 of 401 residues in 237.7 ms
(Link to these results)