| 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 | 63.6 | Low | 90.6 | Very high | 208 Ų | 208 | 118.4 Ų | 118.4 | 100% | 1.025 | 58% | 0.575 | S | S | * | * | 0 | 114.5 | 0 | -74.1 | -60.9 | 160.3 | 0 | 0 | 106.5 | |||||
| 2 | D | 89.3 | Confident | 90.9 | Very high | 118 Ų | 118 | 116.1 Ų | 116.1 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | trans | -66.3 | 124.3 | 178.5 | -78.1 | -75.5 | 0 | 0 | 0 | 110.5 | D4 Q5 | D2-D4 PolarHBondContact O-N 3.5Å; D2-Q5 HydrophobicContact CB-CB 4.34Å; D2-Q5 PolarHBondContact O-N 3.44Å; D2-Q5 VanDerWaalsContact O-N 3.15Å | ||
| 3 | P | 90.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 116.9 Ų | 116.9 | 53% | 0.526 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.6 | -34.8 | -177.7 | 24.5 | -33.3 | 0 | 0 | 0 | 111.9 | Q5 Q6 L7 | P3-Q5 VanDerWaalsContact C-N 3.28Å; P3-Q5 PolarHBondContact O-N 3.48Å; P3-Q6 PolarHBondContact O-N 3.39Å; P3-L7 PolarHBondContact O-N 3.49Å; P3-L7 VanDerWaalsContact O-N 3.1Å |
| 4 | D | 92.6 | Very high | 91.5 | Very high | 96 Ų | 96 | 114.3 Ų | 114.3 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -31.7 | 178.7 | -65 | -48.4 | 0 | 0 | 0 | 112.9 | D2 L7 R8 | D2-D4 PolarHBondContact O-N 3.5Å; D4-L7 PolarHBondContact O-N 3.31Å; D4-R8 WeakPolarHBondContact O-CG 3.45Å; D4-R8 PolarHBondContact O-N 3.22Å |
| 5 | Q | 93.3 | Very high | 91.8 | Very high | 83 Ų | 83 | 113.3 Ų | 113.3 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.9 | -39 | 177.3 | -173.2 | 58.2 | 48.1 | 0 | 0 | 111.3 | D2 P3 L7 R8 N9 | D2-Q5 HydrophobicContact CB-CB 4.34Å; D2-Q5 PolarHBondContact O-N 3.44Å; D2-Q5 VanDerWaalsContact O-N 3.15Å; P3-Q5 VanDerWaalsContact C-N 3.28Å; P3-Q5 PolarHBondContact O-N 3.48Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-R8 PolarHBondContact O-N 3.33Å; Q5-N9 PolarHBondContact NE2-OD1 3.46Å; Q5-N9 PolarHBondContact O-N 3.3Å; Q5-N9 PolarHBondContact O-ND2 3.49Å; Q5-N9 PolarHBondContact O-OD1 3.29Å |
| 6 | Q | 93.5 | Very high | 92 | Very high | 119 Ų | 119 | 109.9 Ų | 109.9 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 176.2 | -67 | -178.9 | -28.7 | 0 | 0 | 111.3 | P3 N9 L10 | P3-Q6 PolarHBondContact O-N 3.39Å; Q6-N9 PolarHBondContact O-N 3.49Å; Q6-L10 WeakPolarHBondContact O-CB 3.34Å; Q6-L10 PolarHBondContact O-N 3.15Å |
| 7 | L | 95.1 | Very high | 92.3 | Very high | 111 Ų | 111 | 109.9 Ų | 109.9 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 175.9 | -70 | 174.9 | 0 | 0 | 0 | 112.4 | P3 D4 Q5 L10 R11 | P3-L7 PolarHBondContact O-N 3.49Å; P3-L7 VanDerWaalsContact O-N 3.1Å; D4-L7 PolarHBondContact O-N 3.31Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; L7-L10 PolarHBondContact O-N 3.05Å; L7-R11 WeakPolarHBondContact O-CB 3.39Å; L7-R11 PolarHBondContact O-N 3.1Å |
| 8 | R | 94.3 | Very high | 92.6 | Very high | 125 Ų | 125 | 108.8 Ų | 108.8 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 173 | -75.3 | -172 | -67.5 | -92 | 5.1 | 111.7 | D4 Q5 L10 R11 D12 | D4-R8 WeakPolarHBondContact O-CG 3.45Å; D4-R8 PolarHBondContact O-N 3.22Å; Q5-R8 PolarHBondContact O-N 3.33Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.44Å; R8-R11 WeakPolarHBondContact O-CB 3.47Å; R8-R11 PolarHBondContact O-N 3.25Å; R8-R11 VanDerWaalsContact O-N 3.12Å; R8-D12 VanDerWaalsContact O-CG 3.24Å; R8-D12 PolarHBondContact O-N 3.3Å |
| 9 | N | 92.2 | Very high | 92.8 | Very high | 85 Ų | 85 | 110.3 Ų | 110.3 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 179.2 | -63.1 | -17.7 | 0 | 0 | 0 | 112.3 | Q5 Q6 D12 F13 | Q5-N9 PolarHBondContact NE2-OD1 3.46Å; Q5-N9 PolarHBondContact O-N 3.3Å; Q5-N9 PolarHBondContact O-ND2 3.49Å; Q5-N9 PolarHBondContact O-OD1 3.29Å; Q6-N9 PolarHBondContact O-N 3.49Å; N9-D12 PolarHBondContact O-N 3.15Å; N9-F13 WeakPolarHBondContact O-CB 3.39Å; N9-F13 PolarHBondContact O-N 3.09Å |
| 10 | L | 95.9 | Very high | 93 | Very high | 96 Ų | 96 | 106.5 Ų | 106.5 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.9 | 178.2 | 65 | 0 | 0 | 0 | 111.2 | Q6 L7 R8 D12 F13 L14 | Q6-L10 WeakPolarHBondContact O-CB 3.34Å; Q6-L10 PolarHBondContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 3.05Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.44Å; L10-D12 VanDerWaalsContact C-N 3.29Å; L10-D12 PolarHBondContact O-N 2.92Å; L10-F13 WeakPolarHBondContact O-CB 3.42Å; L10-F13 PolarHBondContact O-N 2.98Å; L10-L14 HydrophobicContact CD1-CD1 4.37Å; L10-L14 HydrophobicContact CD1-CG 4.33Å; L10-L14 HydrophobicContact CG-CD1 4.18Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.25Å |
| 11 | R | 95.9 | Very high | 93.2 | Very high | 180 Ų | 180 | 104.2 Ų | 104.2 | 68% | 0.679 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.4 | -44.6 | 177.2 | -176.8 | -179.8 | -177 | 163.3 | 1.4 | 111.1 | L7 R8 L14 L15 | L7-R11 WeakPolarHBondContact O-CB 3.39Å; L7-R11 PolarHBondContact O-N 3.1Å; R8-R11 WeakPolarHBondContact O-CB 3.47Å; R8-R11 PolarHBondContact O-N 3.25Å; R8-R11 VanDerWaalsContact O-N 3.12Å; R11-L14 PolarHBondContact O-N 3.38Å; R11-L15 HydrophobicContact CG-CD1 4.29Å; R11-L15 WeakPolarHBondContact O-CG 3.49Å; R11-L15 PolarHBondContact O-N 3.43Å |
| 12 | D | 93.7 | Very high | 94.9 | Very high | 91 Ų | 91 | 98.2 Ų | 98.2 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 179.5 | -65.1 | -23.9 | 0 | 0 | 0 | 111.4 | R8 N9 L10 L14 L15 V16 | R8-D12 VanDerWaalsContact O-CG 3.24Å; R8-D12 PolarHBondContact O-N 3.3Å; N9-D12 PolarHBondContact O-N 3.15Å; L10-D12 VanDerWaalsContact C-N 3.29Å; L10-D12 PolarHBondContact O-N 2.92Å; D12-L14 PolarHBondContact O-N 3.01Å; D12-L15 PolarHBondContact O-N 3.42Å; D12-V16 WeakPolarHBondContact O-CG2 3.32Å; D12-V16 PolarHBondContact O-N 3.49Å |
| 13 | F | 94.7 | Very high | 95.3 | Very high | 127 Ų | 127 | 93.9 Ų | 93.9 | 56% | 0.557 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.5 | -48.5 | 172.5 | 170.7 | -99.2 | 0 | 0 | 0 | 111.8 | N9 L10 L15 V16 Y17 | N9-F13 WeakPolarHBondContact O-CB 3.39Å; N9-F13 PolarHBondContact O-N 3.09Å; L10-F13 WeakPolarHBondContact O-CB 3.42Å; L10-F13 PolarHBondContact O-N 2.98Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.89Å; F13-V16 PolarHBondContact O-N 2.96Å; F13-Y17 WeakPolarHBondContact O-CB 3.38Å; F13-Y17 PolarHBondContact O-N 3.36Å |
| 14 | L | 96.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 90.4 Ų | 90.4 | 42% | 0.419 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | -179.5 | -69.4 | 175.7 | 0 | 0 | 0 | 111.9 | L10 R11 D12 Y17 N18 | L10-L14 HydrophobicContact CD1-CD1 4.37Å; L10-L14 HydrophobicContact CD1-CG 4.33Å; L10-L14 HydrophobicContact CG-CD1 4.18Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.25Å; R11-L14 PolarHBondContact O-N 3.38Å; D12-L14 PolarHBondContact O-N 3.01Å; L14-Y17 PolarHBondContact O-N 2.95Å; L14-N18 WeakPolarHBondContact O-CB 3.25Å; L14-N18 PolarHBondContact O-N 3.48Å; L14-N18 PolarHBondContact O-ND2 3.01Å |
| 15 | L | 95.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 91.2 Ų | 91.2 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 174.2 | -75.7 | 170.9 | 0 | 0 | 0 | 111.7 | R11 D12 F13 R19 | R11-L15 HydrophobicContact CG-CD1 4.29Å; R11-L15 WeakPolarHBondContact O-CG 3.49Å; R11-L15 PolarHBondContact O-N 3.43Å; D12-L15 PolarHBondContact O-N 3.42Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.89Å; L15-R19 WeakPolarHBondContact O-CB 3.47Å; L15-R19 PolarHBondContact O-N 3.35Å; L15-R19 VanDerWaalsContact O-N 3.07Å |
| 16 | V | 95.5 | Very high | 96.1 | Very high | 58 Ų | 58 | 93.4 Ų | 93.4 | 35% | 0.352 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | D12 F13 R19 M20 | D12-V16 WeakPolarHBondContact O-CG2 3.32Å; D12-V16 PolarHBondContact O-N 3.49Å; F13-V16 PolarHBondContact O-N 2.96Å; V16-R19 PolarHBondContact O-N 3.44Å; V16-M20 WeakPolarHBondContact O-CB 3.33Å; V16-M20 PolarHBondContact O-N 2.93Å |
| 17 | Y | 97.1 | Very high | 96.3 | Very high | 111 Ų | 111 | 96.9 Ų | 96.9 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.8 | -52.5 | 176.7 | 174.6 | -97.2 | 0 | 0 | 0 | 111.5 | F13 L14 R19 M20 T21 | F13-Y17 WeakPolarHBondContact O-CB 3.38Å; F13-Y17 PolarHBondContact O-N 3.36Å; L14-Y17 PolarHBondContact O-N 2.95Å; Y17-R19 VanDerWaalsContact C-N 3.26Å; Y17-R19 PolarHBondContact O-N 3.46Å; Y17-M20 HydrophobicContact CD2-CE 4.06Å; Y17-M20 HydrophobicContact CE2-CE 4.49Å; Y17-M20 WeakPolarHBondContact O-CA 3.5Å; Y17-M20 WeakPolarHBondContact O-CB 3.44Å; Y17-M20 PolarHBondContact O-N 2.86Å; Y17-T21 HydrophobicContact CD1-CG2 4.32Å; Y17-T21 HydrophobicContact CD2-CG2 4.42Å; Y17-T21 HydrophobicContact CE1-CG2 3.84Å; Y17-T21 HydrophobicContact CE2-CG2 3.97Å; Y17-T21 WeakPolarHBondContact O-CG2 3.35Å; Y17-T21 PolarHBondContact O-N 3.2Å; Y17-T21 PolarHBondContact O-OG1 2.92Å |
| 18 | N | 96.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 91.9 Ų | 91.9 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | -179.9 | -70.5 | -16.9 | 0 | 0 | 0 | 111.6 | L14 T21 E22 | L14-N18 WeakPolarHBondContact O-CB 3.25Å; L14-N18 PolarHBondContact O-N 3.48Å; L14-N18 PolarHBondContact O-ND2 3.01Å; N18-T21 WeakPolarHBondContact CA-OG1 3.43Å; N18-T21 PolarHBondContact O-N 3.45Å; N18-T21 PolarHBondContact O-OG1 2.91Å; N18-E22 PolarHBondContact O-N 3.49Å; N18-E22 VanDerWaalsContact O-N 3.12Å |
| 19 | R | 96.8 | Very high | 96.5 | Very high | 136 Ų | 136 | 87 Ų | 87 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 175.6 | -174.4 | 55.3 | 173.2 | 178.6 | 0 | 111.9 | L15 V16 Y17 E22 I23 | L15-R19 WeakPolarHBondContact O-CB 3.47Å; L15-R19 PolarHBondContact O-N 3.35Å; L15-R19 VanDerWaalsContact O-N 3.07Å; V16-R19 PolarHBondContact O-N 3.44Å; Y17-R19 VanDerWaalsContact C-N 3.26Å; Y17-R19 PolarHBondContact O-N 3.46Å; R19-E22 IonicContact CZ-OE2 3.79Å; R19-E22 IonicContact NH1-OE1 3.51Å; R19-E22 IonicContact NH1-OE2 2.74Å; R19-E22 PolarHBondContact NH1-OE2 3.25Å; R19-E22 PolarHBondContact O-N 3.43Å; R19-I23 HydrophobicContact CG-CD1 3.91Å; R19-I23 VanDerWaalsContact O-CG1 3.29Å; R19-I23 WeakPolarHBondContact O-CG1 3.49Å; R19-I23 PolarHBondContact O-N 3.47Å; R19-I23 VanDerWaalsContact O-N 3.09Å |
| 20 | M | 97.2 | Very high | 96.6 | Very high | 35 Ų | 35 | 87.8 Ų | 87.8 | 17% | 0.172 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.9 | -178.5 | 174.2 | 68.8 | 0 | 0 | 111.5 | V16 Y17 E22 I23 C24 A49 L52 I53 | V16-M20 WeakPolarHBondContact O-CB 3.33Å; V16-M20 PolarHBondContact O-N 2.93Å; Y17-M20 HydrophobicContact CD2-CE 4.06Å; Y17-M20 HydrophobicContact CE2-CE 4.49Å; Y17-M20 WeakPolarHBondContact O-CA 3.5Å; Y17-M20 WeakPolarHBondContact O-CB 3.44Å; Y17-M20 PolarHBondContact O-N 2.86Å; M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 3.18Å; M20-I23 PolarHBondContact O-N 3.36Å; M20-C24 WeakPolarHBondContact O-CB 3.45Å; M20-C24 PolarHBondContact O-N 2.96Å; M20-C24 PolarHBondContact O-SG 3.43Å; M20-C24 VanDerWaalsContact O-SG 3.39Å; M20-A49 HydrophobicContact SD-CB 3.95Å; M20-L52 VanDerWaalsContact CA-CD2 3.47Å; M20-L52 HydrophobicContact CB-CD2 3.48Å; M20-L52 VanDerWaalsContact CB-CD2 3.48Å; M20-L52 HydrophobicContact CG-CD2 3.52Å; M20-L52 HydrophobicContact SD-CD2 4.42Å; M20-I53 HydrophobicContact SD-CD1 4.33Å; M20-I53 HydrophobicContact SD-CG1 4.11Å |
| 21 | T | 97.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 86 Ų | 86 | 36% | 0.356 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | -179.9 | 51.4 | 0 | 0 | 0 | 0 | 111.4 | Y17 N18 F25 | Y17-T21 HydrophobicContact CD1-CG2 4.32Å; Y17-T21 HydrophobicContact CD2-CG2 4.42Å; Y17-T21 HydrophobicContact CE1-CG2 3.84Å; Y17-T21 HydrophobicContact CE2-CG2 3.97Å; Y17-T21 WeakPolarHBondContact O-CG2 3.35Å; Y17-T21 PolarHBondContact O-N 3.2Å; Y17-T21 PolarHBondContact O-OG1 2.92Å; N18-T21 WeakPolarHBondContact CA-OG1 3.43Å; N18-T21 PolarHBondContact O-N 3.45Å; N18-T21 PolarHBondContact O-OG1 2.91Å; T21-F25 VanDerWaalsContact O-CB 3.24Å; T21-F25 WeakPolarHBondContact O-CB 3.4Å; T21-F25 PolarHBondContact O-N 2.99Å |
| 22 | E | 98.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 84.8 Ų | 84.8 | 38% | 0.383 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 177.3 | -172.7 | -165.2 | 175 | 0 | 0 | 111.8 | N18 R19 M20 C24 F25 Q26 | N18-E22 PolarHBondContact O-N 3.49Å; N18-E22 VanDerWaalsContact O-N 3.12Å; R19-E22 IonicContact CZ-OE2 3.79Å; R19-E22 IonicContact NH1-OE1 3.51Å; R19-E22 IonicContact NH1-OE2 2.74Å; R19-E22 PolarHBondContact NH1-OE2 3.25Å; R19-E22 PolarHBondContact O-N 3.43Å; M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 3.18Å; E22-C24 PolarHBondContact O-N 2.95Å; E22-F25 PolarHBondContact O-N 2.96Å; E22-Q26 WeakPolarHBondContact O-CG 3.43Å; E22-Q26 PolarHBondContact O-N 3.09Å; E22-Q26 PolarHBondContact OE1-NE2 3.31Å |
| 23 | I | 97.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 86.7 Ų | 86.7 | 14% | 0.144 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | -178.8 | -69.2 | 167.9 | 0 | 0 | 0 | 111.1 | R19 M20 R27 L52 | R19-I23 HydrophobicContact CG-CD1 3.91Å; R19-I23 VanDerWaalsContact O-CG1 3.29Å; R19-I23 WeakPolarHBondContact O-CG1 3.49Å; R19-I23 PolarHBondContact O-N 3.47Å; R19-I23 VanDerWaalsContact O-N 3.09Å; M20-I23 PolarHBondContact O-N 3.36Å; I23-R27 WeakPolarHBondContact O-CB 3.45Å; I23-R27 PolarHBondContact O-N 3.42Å; I23-R27 VanDerWaalsContact O-N 3.13Å; I23-L52 HydrophobicContact CD1-CD1 4.35Å; I23-L52 HydrophobicContact CD1-CD2 4.35Å |
| 24 | C | 98.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 88.8 Ų | 88.8 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -71.3 | -34.4 | -178.2 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | M20 E22 C28 C48 | M20-C24 WeakPolarHBondContact O-CB 3.45Å; M20-C24 PolarHBondContact O-N 2.96Å; M20-C24 PolarHBondContact O-SG 3.43Å; M20-C24 VanDerWaalsContact O-SG 3.39Å; E22-C24 PolarHBondContact O-N 2.95Å; C24-C28 WeakPolarHBondContact O-CB 3.49Å; C24-C28 PolarHBondContact O-N 3.22Å; C24-C48 WeakPolarHBondContact CA-SG 3.37Å; C24-C48 HydrophobicContact CB-CB 3.89Å; C24-C48 WeakPolarHBondContact CB-SG 3.43Å; C24-C48 WeakPolarHBondContact SG-CB 3.48Å; C24-C48 CovalentContact SG-SG 2.05Å; C24-C48 PolarHBondContact SG-SG 3.49Å |
| 25 | F | 97.7 | Very high | 96.3 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 50% | 0.5 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.9 | -57.4 | 170.2 | -177.7 | -99.5 | 0 | 0 | 0 | 110.8 | T21 E22 R27 C28 T29 F32 | T21-F25 VanDerWaalsContact O-CB 3.24Å; T21-F25 WeakPolarHBondContact O-CB 3.4Å; T21-F25 PolarHBondContact O-N 2.99Å; E22-F25 PolarHBondContact O-N 2.96Å; F25-R27 PolarHBondContact O-N 3.29Å; F25-C28 PolarHBondContact O-N 3.08Å; F25-T29 HydrophobicContact CD2-CG2 3.56Å; F25-T29 WeakPolarHBondContact CD2-OG1 3.4Å; F25-T29 HydrophobicContact CE2-CG2 3.83Å; F25-T29 WeakPolarHBondContact CE2-OG1 3.4Å; F25-T29 HydrophobicContact CG-CG2 4.38Å; F25-T29 PolarHBondContact O-N 3.28Å; F25-T29 PolarHBondContact O-OG1 3.42Å; F25-F32 HydrophobicContact CZ-CE1 4.11Å; F25-F32 HydrophobicContact CZ-CZ 4.45Å |
| 26 | Q | 97.4 | Very high | 96.2 | Very high | 129 Ų | 129 | 98.4 Ų | 98.4 | 60% | 0.603 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.3 | -28 | -178.3 | -72.2 | 174.5 | 9.3 | 0 | 0 | 114.4 | E22 | E22-Q26 WeakPolarHBondContact O-CG 3.43Å; E22-Q26 PolarHBondContact O-N 3.09Å; E22-Q26 PolarHBondContact OE1-NE2 3.31Å |
| 27 | R | 97.4 | Very high | 96.2 | Very high | 191 Ų | 191 | 99.5 Ų | 99.5 | 72% | 0.721 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -95.7 | -33.5 | -178.3 | -78 | 176.7 | 171.7 | 166.6 | -1.9 | 114.8 | I23 F25 | I23-R27 WeakPolarHBondContact O-CB 3.45Å; I23-R27 PolarHBondContact O-N 3.42Å; I23-R27 VanDerWaalsContact O-N 3.13Å; F25-R27 PolarHBondContact O-N 3.29Å |
| 28 | C | 97.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 96.3 Ų | 96.3 | 4% | 0.041 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -105.5 | -29.5 | -170.2 | -66.1 | 0 | 0 | 0 | 0 | 113.1 | C24 F25 S30 E41 C44 V45 | C24-C28 WeakPolarHBondContact O-CB 3.49Å; C24-C28 PolarHBondContact O-N 3.22Å; F25-C28 PolarHBondContact O-N 3.08Å; C28-S30 PolarHBondContact O-N 2.92Å; C28-E41 VanDerWaalsContact O-CG 3.29Å; C28-E41 WeakPolarHBondContact O-CG 3.35Å; C28-C44 WeakPolarHBondContact CA-SG 3.41Å; C28-C44 HydrophobicContact CB-CB 3.58Å; C28-C44 WeakPolarHBondContact CB-SG 3.36Å; C28-C44 WeakPolarHBondContact SG-CB 3.18Å; C28-C44 PolarHBondContact SG-O 2.82Å; C28-C44 VanDerWaalsContact SG-O 3.35Å; C28-C44 CovalentContact SG-SG 2.05Å; C28-C44 PolarHBondContact SG-SG 3.33Å; C28-V45 HydrophobicContact CB-CG2 3.71Å; C28-V45 PolarHBondContact SG-N 3.1Å |
| 29 | T | 96.4 | Very high | 96.1 | Very high | 24 Ų | 24 | 99 Ų | 99 | 15% | 0.147 | 47% | 0.465 | C | S | . | . | trans | -85 | 110.7 | 176 | 62.8 | 0 | 0 | 0 | 0 | 109.2 | F25 L37 | F25-T29 HydrophobicContact CD2-CG2 3.56Å; F25-T29 WeakPolarHBondContact CD2-OG1 3.4Å; F25-T29 HydrophobicContact CE2-CG2 3.83Å; F25-T29 WeakPolarHBondContact CE2-OG1 3.4Å; F25-T29 HydrophobicContact CG-CG2 4.38Å; F25-T29 PolarHBondContact O-N 3.28Å; F25-T29 PolarHBondContact O-OG1 3.42Å; T29-L37 HydrophobicContact CG2-CD2 3.88Å | ||
| 30 | S | 93.8 | Very high | 96.1 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | trans | -122.5 | -23.3 | -178.2 | 63 | 0 | 0 | 0 | 0 | 112 | C28 E41 | C28-S30 PolarHBondContact O-N 2.92Å; S30-E41 PolarHBondContact N-OE1 3.12Å | ||
| 31 | N | 92 | Very high | 96.1 | Very high | 59 Ų | 59 | 97.3 Ų | 97.3 | 32% | 0.316 | 47% | 0.467 | S | S | . | . | trans | -108.5 | 117.1 | -178.1 | -165.2 | -34.6 | 0 | 0 | 0 | 111 | N33 E41 | N31-N33 VanDerWaalsContact OD1-CB 3.26Å; N31-N33 WeakPolarHBondContact OD1-CB 3.47Å; N31-N33 PolarHBondContact OD1-N 3.48Å; N31-N33 PolarHBondContact OD1-ND2 2.9Å; N31-E41 PolarHBondContact N-OE1 2.97Å | ||
| 32 | F | 94.4 | Very high | 96 | Very high | 153 Ų | 153 | 98.7 Ų | 98.7 | 67% | 0.671 | 47% | 0.469 | S | S | * | . | trans | -106.3 | 12.9 | 178.2 | -61.1 | -78.2 | 0 | 0 | 0 | 113.3 | F25 Y34 | F25-F32 HydrophobicContact CZ-CE1 4.11Å; F25-F32 HydrophobicContact CZ-CZ 4.45Å; F32-Y34 VanDerWaalsContact C-N 3.29Å; F32-Y34 PolarHBondContact O-N 3.32Å | ||
| 33 | N | 95.2 | Very high | 96 | Very high | 132 Ų | 132 | 103.4 Ų | 103.4 | 71% | 0.706 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -75.3 | -20.4 | -179.4 | -65.7 | -81.7 | 0 | 0 | 0 | 112.6 | N31 | N31-N33 VanDerWaalsContact OD1-CB 3.26Å; N31-N33 WeakPolarHBondContact OD1-CB 3.47Å; N31-N33 PolarHBondContact OD1-N 3.48Å; N31-N33 PolarHBondContact OD1-ND2 2.9Å |
| 34 | Y | 93.8 | Very high | 96 | Very high | 171 Ų | 171 | 104.3 Ų | 104.3 | 67% | 0.671 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -128.1 | 155.2 | -178.6 | -53.3 | -72.3 | 0 | 0 | 0 | 110.9 | F32 | F32-Y34 VanDerWaalsContact C-N 3.29Å; F32-Y34 PolarHBondContact O-N 3.32Å |
| 35 | R | 94.6 | Very high | 96 | Very high | 248 Ų | 248 | 106.2 Ų | 106.2 | 94% | 0.936 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -75.8 | -24.7 | 177.6 | -177.5 | 172.6 | 175.4 | 165 | -0.2 | 113.1 | ||
| 36 | N | 94.6 | Very high | 96.1 | Very high | 133 Ų | 133 | 106.5 Ų | 106.5 | 71% | 0.711 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -100.6 | 149.5 | -178.9 | -59.9 | -40.5 | 0 | 0 | 0 | 110 | ||
| 37 | L | 94.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 104.3 Ų | 104.3 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 145.5 | 173.6 | -67.5 | 170.1 | 0 | 0 | 0 | 110.3 | T29 E41 E42 | T29-L37 HydrophobicContact CG2-CD2 3.88Å; L37-E41 HydrophobicContact CB-CB 4.36Å; L37-E41 HydrophobicContact CD2-CB 3.99Å; L37-E42 HydrophobicContact CB-CG 3.77Å; L37-E42 HydrophobicContact CD1-CG 4.35Å |
| 38 | T | 95.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 96 Ų | 96 | 28% | 0.276 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 160.4 | 169.7 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | D40 E41 E42 | T38-D40 PolarHBondContact O-N 3.48Å; T38-D40 VanDerWaalsContact O-N 3.13Å; T38-E41 PolarHBondContact N-OE2 3.01Å; T38-E41 PolarHBondContact O-N 2.96Å; T38-E41 VanDerWaalsContact OG1-CG 3.23Å; T38-E41 WeakPolarHBondContact OG1-CG 3.26Å; T38-E41 PolarHBondContact OG1-OE2 3.44Å; T38-E42 PolarHBondContact O-N 3.14Å |
| 39 | M | 96.4 | Very high | 96.2 | Very high | 145 Ų | 145 | 96.8 Ų | 96.8 | 71% | 0.714 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.4 | -33.5 | 179.9 | -64.4 | -59 | -58.5 | 0 | 0 | 113.3 | R43 | M39-R43 WeakPolarHBondContact O-CB 3.34Å; M39-R43 PolarHBondContact O-N 3.09Å; M39-R43 VanDerWaalsContact O-N 3.13Å |
| 40 | D | 96.4 | Very high | 96.2 | Very high | 130 Ų | 130 | 96.8 Ų | 96.8 | 70% | 0.695 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72 | -38 | 178.2 | -67.9 | -36.2 | 0 | 0 | 0 | 111.8 | T38 C44 | T38-D40 PolarHBondContact O-N 3.48Å; T38-D40 VanDerWaalsContact O-N 3.13Å; D40-C44 WeakPolarHBondContact O-CB 3.15Å; D40-C44 PolarHBondContact O-N 3.17Å |
| 41 | E | 97.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 98.3 Ų | 98.3 | 3% | 0.033 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -71.2 | -41.2 | 177.7 | -62.9 | 175.3 | 132.4 | 0 | 0 | 111.1 | C28 S30 N31 L37 T38 C44 V45 | C28-E41 VanDerWaalsContact O-CG 3.29Å; C28-E41 WeakPolarHBondContact O-CG 3.35Å; S30-E41 PolarHBondContact N-OE1 3.12Å; N31-E41 PolarHBondContact N-OE1 2.97Å; L37-E41 HydrophobicContact CB-CB 4.36Å; L37-E41 HydrophobicContact CD2-CB 3.99Å; T38-E41 PolarHBondContact N-OE2 3.01Å; T38-E41 PolarHBondContact O-N 2.96Å; T38-E41 VanDerWaalsContact OG1-CG 3.23Å; T38-E41 WeakPolarHBondContact OG1-CG 3.26Å; T38-E41 PolarHBondContact OG1-OE2 3.44Å; E41-C44 WeakPolarHBondContact O-CB 3.41Å; E41-C44 PolarHBondContact O-N 3.49Å; E41-V45 WeakPolarHBondContact O-CG2 3.46Å; E41-V45 PolarHBondContact O-N 3.33Å |
| 42 | E | 96.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 41% | 0.407 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.7 | -51.5 | 172.6 | -69.8 | -178.6 | 176.9 | 0 | 0 | 110.8 | L37 T38 C44 V45 D46 | L37-E42 HydrophobicContact CB-CG 3.77Å; L37-E42 HydrophobicContact CD1-CG 4.35Å; T38-E42 PolarHBondContact O-N 3.14Å; E42-C44 VanDerWaalsContact C-N 3.26Å; E42-C44 PolarHBondContact O-N 2.96Å; E42-V45 PolarHBondContact O-N 3.1Å; E42-V45 VanDerWaalsContact O-N 3.14Å; E42-D46 PolarHBondContact O-N 2.99Å; E42-D46 VanDerWaalsContact O-N 3.09Å |
| 43 | R | 98.1 | Very high | 96.8 | Very high | 181 Ų | 181 | 94.3 Ų | 94.3 | 68% | 0.683 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.5 | -33.3 | 177.2 | -170.4 | 176.2 | -173.3 | -173.5 | 2.2 | 112.5 | M39 N47 | M39-R43 WeakPolarHBondContact O-CB 3.34Å; M39-R43 PolarHBondContact O-N 3.09Å; M39-R43 VanDerWaalsContact O-N 3.13Å; R43-N47 WeakPolarHBondContact O-CB 3.22Å; R43-N47 PolarHBondContact O-N 3.23Å; R43-N47 PolarHBondContact O-ND2 3.44Å |
| 44 | C | 98.4 | Very high | 96.9 | Very high | 47 Ų | 47 | 96 Ų | 96 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | C28 D40 E41 E42 D46 N47 C48 | C28-C44 WeakPolarHBondContact CA-SG 3.41Å; C28-C44 HydrophobicContact CB-CB 3.58Å; C28-C44 WeakPolarHBondContact CB-SG 3.36Å; C28-C44 WeakPolarHBondContact SG-CB 3.18Å; C28-C44 PolarHBondContact SG-O 2.82Å; C28-C44 VanDerWaalsContact SG-O 3.35Å; C28-C44 CovalentContact SG-SG 2.05Å; C28-C44 PolarHBondContact SG-SG 3.33Å; D40-C44 WeakPolarHBondContact O-CB 3.15Å; D40-C44 PolarHBondContact O-N 3.17Å; E41-C44 WeakPolarHBondContact O-CB 3.41Å; E41-C44 PolarHBondContact O-N 3.49Å; E42-C44 VanDerWaalsContact C-N 3.26Å; E42-C44 PolarHBondContact O-N 2.96Å; C44-D46 PolarHBondContact O-N 3.23Å; C44-N47 PolarHBondContact O-N 3.28Å; C44-C48 VanDerWaalsContact O-CB 3.29Å; C44-C48 WeakPolarHBondContact O-CB 3.36Å; C44-C48 PolarHBondContact O-N 3.24Å |
| 45 | V | 98.2 | Very high | 97 | Very high | 46 Ų | 46 | 92.1 Ų | 92.1 | 28% | 0.279 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | -178.4 | 171.6 | 0 | 0 | 0 | 0 | 111 | C28 E41 E42 N47 C48 A49 | C28-V45 HydrophobicContact CB-CG2 3.71Å; C28-V45 PolarHBondContact SG-N 3.1Å; E41-V45 WeakPolarHBondContact O-CG2 3.46Å; E41-V45 PolarHBondContact O-N 3.33Å; E42-V45 PolarHBondContact O-N 3.1Å; E42-V45 VanDerWaalsContact O-N 3.14Å; V45-N47 VanDerWaalsContact C-N 3.35Å; V45-N47 PolarHBondContact O-N 3.43Å; V45-C48 WeakPolarHBondContact O-CB 3.41Å; V45-C48 PolarHBondContact O-N 3.22Å; V45-A49 WeakPolarHBondContact O-CB 3.17Å; V45-A49 PolarHBondContact O-N 3.24Å |
| 46 | D | 98.1 | Very high | 96.9 | Very high | 121 Ų | 121 | 82.5 Ų | 82.5 | 65% | 0.647 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 176.7 | -74.4 | -24.7 | 0 | 0 | 0 | 112 | E42 C44 G50 | E42-D46 PolarHBondContact O-N 2.99Å; E42-D46 VanDerWaalsContact O-N 3.09Å; C44-D46 PolarHBondContact O-N 3.23Å; D46-G50 PolarHBondContact O-N 3.18Å |
| 47 | N | 98.3 | Very high | 96.9 | Very high | 83 Ų | 83 | 81.9 Ų | 81.9 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 177.1 | -75.3 | -43.8 | 0 | 0 | 0 | 112.3 | R43 C44 V45 K51 | R43-N47 WeakPolarHBondContact O-CB 3.22Å; R43-N47 PolarHBondContact O-N 3.23Å; R43-N47 PolarHBondContact O-ND2 3.44Å; C44-N47 PolarHBondContact O-N 3.28Å; V45-N47 VanDerWaalsContact C-N 3.35Å; V45-N47 PolarHBondContact O-N 3.43Å; N47-K51 VanDerWaalsContact O-CB 3.3Å; N47-K51 WeakPolarHBondContact O-CB 3.35Å; N47-K51 VanDerWaalsContact O-CG 3.23Å; N47-K51 WeakPolarHBondContact O-CG 3.35Å; N47-K51 PolarHBondContact O-N 3.35Å |
| 48 | C | 98.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 87.7 Ų | 87.7 | 10% | 0.101 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.3 | -53 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | C24 C44 V45 G50 K51 L52 | C24-C48 WeakPolarHBondContact CA-SG 3.37Å; C24-C48 HydrophobicContact CB-CB 3.89Å; C24-C48 WeakPolarHBondContact CB-SG 3.43Å; C24-C48 WeakPolarHBondContact SG-CB 3.48Å; C24-C48 CovalentContact SG-SG 2.05Å; C24-C48 PolarHBondContact SG-SG 3.49Å; C44-C48 VanDerWaalsContact O-CB 3.29Å; C44-C48 WeakPolarHBondContact O-CB 3.36Å; C44-C48 PolarHBondContact O-N 3.24Å; V45-C48 WeakPolarHBondContact O-CB 3.41Å; V45-C48 PolarHBondContact O-N 3.22Å; C48-G50 PolarHBondContact O-N 3.11Å; C48-K51 PolarHBondContact O-N 3.3Å; C48-L52 WeakPolarHBondContact O-CB 3.48Å; C48-L52 PolarHBondContact O-N 2.83Å |
| 49 | A | 98 | Very high | 97 | Very high | 23 Ų | 23 | 90.8 Ų | 90.8 | 19% | 0.19 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M20 V45 K51 L52 I53 | M20-A49 HydrophobicContact SD-CB 3.95Å; V45-A49 WeakPolarHBondContact O-CB 3.17Å; V45-A49 PolarHBondContact O-N 3.24Å; A49-K51 VanDerWaalsContact C-N 3.3Å; A49-K51 PolarHBondContact O-N 3.21Å; A49-L52 PolarHBondContact O-N 2.83Å; A49-I53 WeakPolarHBondContact O-CB 3.37Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3.38Å; A49-I53 PolarHBondContact O-N 2.9Å |
| 50 | G | 97.7 | Very high | 96.9 | Very high | 25 Ų | 25 | 88.3 Ų | 88.3 | 26% | 0.258 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D46 C48 R54 | D46-G50 PolarHBondContact O-N 3.18Å; C48-G50 PolarHBondContact O-N 3.11Å; G50-R54 WeakPolarHBondContact O-CG 3.49Å; G50-R54 PolarHBondContact O-N 3.31Å; G50-R54 PolarHBondContact O-NE 3.14Å |
| 51 | K | 98 | Very high | 96.8 | Very high | 133 Ų | 133 | 84 Ų | 84 | 58% | 0.578 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -71.4 | -44.5 | 173.6 | -79.2 | 176.7 | -173.1 | -177.5 | 0 | 111.6 | N47 C48 A49 R54 T55 | N47-K51 VanDerWaalsContact O-CB 3.3Å; N47-K51 WeakPolarHBondContact O-CB 3.35Å; N47-K51 VanDerWaalsContact O-CG 3.23Å; N47-K51 WeakPolarHBondContact O-CG 3.35Å; N47-K51 PolarHBondContact O-N 3.35Å; C48-K51 PolarHBondContact O-N 3.3Å; A49-K51 VanDerWaalsContact C-N 3.3Å; A49-K51 PolarHBondContact O-N 3.21Å; K51-R54 PolarHBondContact O-N 2.94Å; K51-T55 WeakPolarHBondContact O-CB 3.39Å; K51-T55 PolarHBondContact O-N 3.48Å; K51-T55 PolarHBondContact O-OG1 3.5Å |
| 52 | L | 97.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 86.5 Ų | 86.5 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | -176.8 | -164.9 | 72.8 | 0 | 0 | 0 | 111.2 | M20 I23 C48 A49 T55 N56 | M20-L52 VanDerWaalsContact CA-CD2 3.47Å; M20-L52 HydrophobicContact CB-CD2 3.48Å; M20-L52 VanDerWaalsContact CB-CD2 3.48Å; M20-L52 HydrophobicContact CG-CD2 3.52Å; M20-L52 HydrophobicContact SD-CD2 4.42Å; I23-L52 HydrophobicContact CD1-CD1 4.35Å; I23-L52 HydrophobicContact CD1-CD2 4.35Å; C48-L52 WeakPolarHBondContact O-CB 3.48Å; C48-L52 PolarHBondContact O-N 2.83Å; A49-L52 PolarHBondContact O-N 2.83Å; L52-T55 PolarHBondContact O-N 3.23Å; L52-N56 VanDerWaalsContact O-CB 3.23Å; L52-N56 WeakPolarHBondContact O-CB 3.48Å; L52-N56 PolarHBondContact O-N 3.41Å |
| 53 | I | 96.4 | Very high | 96.7 | Very high | 83 Ų | 83 | 88.5 Ų | 88.5 | 43% | 0.426 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.3 | -52.1 | 176.1 | -68 | 165.2 | 0 | 0 | 0 | 110.4 | M20 A49 T55 N56 H57 | M20-I53 HydrophobicContact SD-CD1 4.33Å; M20-I53 HydrophobicContact SD-CG1 4.11Å; A49-I53 WeakPolarHBondContact O-CB 3.37Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3.38Å; A49-I53 PolarHBondContact O-N 2.9Å; I53-T55 VanDerWaalsContact C-N 3.3Å; I53-T55 PolarHBondContact O-N 3.04Å; I53-N56 PolarHBondContact O-N 3.35Å; I53-H57 PolarHBondContact O-CD2 3.39Å; I53-H57 PolarHBondContact O-N 2.9Å |
| 54 | R | 97.3 | Very high | 96.6 | Very high | 167 Ų | 167 | 84.7 Ų | 84.7 | 63% | 0.63 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60 | -40.6 | 178.5 | -75.2 | -178 | -74.3 | 171.2 | -8.1 | 112.6 | G50 K51 R58 | G50-R54 WeakPolarHBondContact O-CG 3.49Å; G50-R54 PolarHBondContact O-N 3.31Å; G50-R54 PolarHBondContact O-NE 3.14Å; K51-R54 PolarHBondContact O-N 2.94Å; R54-R58 WeakPolarHBondContact O-CB 3.46Å; R54-R58 PolarHBondContact O-N 3.26Å |
| 55 | T | 96.4 | Very high | 96.4 | Very high | 89 Ų | 89 | 89.4 Ų | 89.4 | 55% | 0.546 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | K51 L52 I53 R58 L59 | K51-T55 WeakPolarHBondContact O-CB 3.39Å; K51-T55 PolarHBondContact O-N 3.48Å; K51-T55 PolarHBondContact O-OG1 3.5Å; L52-T55 PolarHBondContact O-N 3.23Å; I53-T55 VanDerWaalsContact C-N 3.3Å; I53-T55 PolarHBondContact O-N 3.04Å; T55-R58 PolarHBondContact O-N 3.04Å; T55-L59 WeakPolarHBondContact O-CB 3.25Å; T55-L59 PolarHBondContact O-N 2.93Å |
| 56 | N | 93.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 91.4 Ų | 91.4 | 25% | 0.251 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 177.6 | -175 | -88.9 | 0 | 0 | 0 | 111.1 | L52 I53 R58 L59 M60 | L52-N56 VanDerWaalsContact O-CB 3.23Å; L52-N56 WeakPolarHBondContact O-CB 3.48Å; L52-N56 PolarHBondContact O-N 3.41Å; I53-N56 PolarHBondContact O-N 3.35Å; N56-R58 PolarHBondContact O-N 3.17Å; N56-L59 PolarHBondContact O-N 3.46Å; N56-M60 WeakPolarHBondContact O-CB 3.23Å; N56-M60 WeakPolarHBondContact O-CG 3.39Å; N56-M60 PolarHBondContact O-N 3.08Å |
| 57 | H | 95.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 89 Ų | 89 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 174.3 | -78.4 | -66.3 | 0 | 0 | 0 | 112.8 | I53 M60 G61 | I53-H57 PolarHBondContact O-CD2 3.39Å; I53-H57 PolarHBondContact O-N 2.9Å; H57-M60 PolarHBondContact O-N 3.18Å; H57-G61 PolarHBondContact O-N 3.34Å |
| 58 | R | 96.9 | Very high | 96 | Very high | 203 Ų | 203 | 88.6 Ų | 88.6 | 77% | 0.766 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 177 | -172.9 | 176.6 | 175.4 | -173.9 | -1.5 | 111.7 | R54 T55 N56 G61 T62 | R54-R58 WeakPolarHBondContact O-CB 3.46Å; R54-R58 PolarHBondContact O-N 3.26Å; T55-R58 PolarHBondContact O-N 3.04Å; N56-R58 PolarHBondContact O-N 3.17Å; R58-G61 PolarHBondContact O-N 2.83Å; R58-T62 PolarHBondContact O-N 3.44Å; R58-T62 VanDerWaalsContact O-N 3.08Å; R58-T62 PolarHBondContact O-OG1 3.25Å |
| 59 | L | 95 | Very high | 95.9 | Very high | 110 Ų | 110 | 93.7 Ų | 93.7 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.5 | -48.6 | 177.2 | -176.1 | 75.7 | 0 | 0 | 0 | 110.8 | T55 N56 G61 T62 Y63 | T55-L59 WeakPolarHBondContact O-CB 3.25Å; T55-L59 PolarHBondContact O-N 2.93Å; N56-L59 PolarHBondContact O-N 3.46Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 2.76Å; L59-T62 PolarHBondContact O-N 3.31Å; L59-T62 PolarHBondContact O-OG1 3.33Å; L59-Y63 WeakPolarHBondContact O-CB 3.33Å; L59-Y63 PolarHBondContact O-N 3.04Å |
| 60 | M | 93.1 | Very high | 95.7 | Very high | 93 Ų | 93 | 97.9 Ų | 97.9 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.6 | -74.3 | -57.8 | -178.2 | 0 | 0 | 111.8 | N56 H57 T62 Y63 V64 | N56-M60 WeakPolarHBondContact O-CB 3.23Å; N56-M60 WeakPolarHBondContact O-CG 3.39Å; N56-M60 PolarHBondContact O-N 3.08Å; H57-M60 PolarHBondContact O-N 3.18Å; M60-T62 PolarHBondContact O-N 2.89Å; M60-Y63 PolarHBondContact O-N 2.87Å; M60-V64 WeakPolarHBondContact O-CG2 3.49Å; M60-V64 PolarHBondContact O-N 3.31Å |
| 61 | G | 94.3 | Very high | 95.6 | Very high | 38 Ų | 38 | 100 Ų | 100 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H57 R58 L59 Q65 | H57-G61 PolarHBondContact O-N 3.34Å; R58-G61 PolarHBondContact O-N 2.83Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 2.76Å; G61-Q65 WeakPolarHBondContact O-CG 3.34Å; G61-Q65 PolarHBondContact O-N 3.44Å |
| 62 | T | 96.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 37% | 0.368 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69 | -35.9 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | R58 L59 M60 Q65 L66 | R58-T62 PolarHBondContact O-N 3.44Å; R58-T62 VanDerWaalsContact O-N 3.08Å; R58-T62 PolarHBondContact O-OG1 3.25Å; L59-T62 PolarHBondContact O-N 3.31Å; L59-T62 PolarHBondContact O-OG1 3.33Å; M60-T62 PolarHBondContact O-N 2.89Å; T62-Q65 PolarHBondContact O-N 3.07Å; T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.49Å |
| 63 | Y | 96 | Very high | 95.4 | Very high | 130 Ų | 130 | 103.8 Ų | 103.8 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 179.7 | 176.2 | -100.8 | 0 | 0 | 0 | 111.3 | L59 M60 Q65 L66 M67 | L59-Y63 WeakPolarHBondContact O-CB 3.33Å; L59-Y63 PolarHBondContact O-N 3.04Å; M60-Y63 PolarHBondContact O-N 2.87Å; Y63-Q65 PolarHBondContact O-N 2.86Å; Y63-L66 PolarHBondContact O-N 2.99Å; Y63-M67 HydrophobicContact CD1-CB 4.43Å; Y63-M67 HydrophobicContact CD2-CB 4.29Å; Y63-M67 HydrophobicContact CE1-CB 4.14Å; Y63-M67 HydrophobicContact CE1-CE 4.46Å; Y63-M67 HydrophobicContact CE1-CG 4.11Å; Y63-M67 HydrophobicContact CE2-CB 3.99Å; Y63-M67 HydrophobicContact CE2-CG 3.96Å; Y63-M67 WeakPolarHBondContact O-CB 3.29Å; Y63-M67 PolarHBondContact O-N 3.47Å |
| 64 | V | 95.4 | Very high | 95.3 | Very high | 101 Ų | 101 | 108.4 Ų | 108.4 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.4 | -33.4 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | M60 P68 | M60-V64 WeakPolarHBondContact O-CG2 3.49Å; M60-V64 PolarHBondContact O-N 3.31Å; V64-P68 VanDerWaalsContact O-CD 3.22Å; V64-P68 WeakPolarHBondContact O-CD 3.34Å |
| 65 | Q | 94.4 | Very high | 95.1 | Very high | 146 Ų | 146 | 106 Ų | 106 | 68% | 0.682 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.3 | -37.9 | 176.3 | -69.1 | 179.1 | -4.4 | 0 | 0 | 113.1 | G61 T62 Y63 | G61-Q65 WeakPolarHBondContact O-CG 3.34Å; G61-Q65 PolarHBondContact O-N 3.44Å; T62-Q65 PolarHBondContact O-N 3.07Å; Y63-Q65 PolarHBondContact O-N 2.86Å |
| 66 | L | 96.4 | Very high | 95.1 | Very high | 88 Ų | 88 | 106.7 Ų | 106.7 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -94.1 | -32.1 | -170.9 | -65 | 177.3 | 0 | 0 | 0 | 114 | T62 Y63 L69 M70 | T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.49Å; Y63-L66 PolarHBondContact O-N 2.99Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-M70 HydrophobicContact CB-CE 4.11Å; L66-M70 WeakPolarHBondContact O-CG 3.24Å; L66-M70 PolarHBondContact O-N 3.17Å; L66-M70 VanDerWaalsContact O-N 3.11Å |
| 67 | M | 95.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 108.3 Ų | 108.3 | 35% | 0.345 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | -174 | -173.6 | -84.5 | -76.5 | 0 | 0 | 113.3 | Y63 L69 M70 V71 | Y63-M67 HydrophobicContact CD1-CB 4.43Å; Y63-M67 HydrophobicContact CD2-CB 4.29Å; Y63-M67 HydrophobicContact CE1-CB 4.14Å; Y63-M67 HydrophobicContact CE1-CE 4.46Å; Y63-M67 HydrophobicContact CE1-CG 4.11Å; Y63-M67 HydrophobicContact CE2-CB 3.99Å; Y63-M67 HydrophobicContact CE2-CG 3.96Å; Y63-M67 WeakPolarHBondContact O-CB 3.29Å; Y63-M67 PolarHBondContact O-N 3.47Å; M67-L69 VanDerWaalsContact C-N 3.33Å; M67-L69 PolarHBondContact O-N 3.41Å; M67-M70 PolarHBondContact O-N 3.3Å; M67-V71 HydrophobicContact CG-CG2 4.26Å; M67-V71 WeakPolarHBondContact O-CG2 3.35Å; M67-V71 PolarHBondContact O-N 2.91Å; M67-V71 HydrophobicContact SD-CB 4.46Å; M67-V71 HydrophobicContact SD-CG2 3.5Å; M67-V71 WeakPolarHBondContact SD-CG2 3.23Å |
| 68 | P | 95 | Very high | 95 | Very high | 74 Ų | 74 | 109.3 Ų | 109.3 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 177.7 | -24.4 | 34.9 | 0 | 0 | 0 | 113 | V64 V71 Q72 | V64-P68 VanDerWaalsContact O-CD 3.22Å; V64-P68 WeakPolarHBondContact O-CD 3.34Å; P68-V71 PolarHBondContact O-N 3.05Å; P68-Q72 WeakPolarHBondContact O-CB 3.3Å; P68-Q72 PolarHBondContact O-N 3.25Å |
| 69 | L | 95.1 | Very high | 94.7 | Very high | 122 Ų | 122 | 106.5 Ų | 106.5 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 178.1 | -61.4 | 179.9 | 0 | 0 | 0 | 111.8 | L66 M67 R73 | L66-L69 PolarHBondContact O-N 3.46Å; M67-L69 VanDerWaalsContact C-N 3.33Å; M67-L69 PolarHBondContact O-N 3.41Å; L69-R73 PolarHBondContact O-N 3.34Å |
| 70 | M | 94.9 | Very high | 94.6 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 177.1 | -68.3 | 177.3 | 178 | 0 | 0 | 111.5 | L66 M67 R74 | L66-M70 HydrophobicContact CB-CE 4.11Å; L66-M70 WeakPolarHBondContact O-CG 3.24Å; L66-M70 PolarHBondContact O-N 3.17Å; L66-M70 VanDerWaalsContact O-N 3.11Å; M67-M70 PolarHBondContact O-N 3.3Å; M70-R74 WeakPolarHBondContact O-CG 3.29Å; M70-R74 PolarHBondContact O-N 3.28Å |
| 71 | V | 95.8 | Very high | 94.5 | Very high | 69 Ų | 69 | 106.3 Ų | 106.3 | 42% | 0.418 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | M67 P68 R73 R74 M75 | M67-V71 HydrophobicContact CG-CG2 4.26Å; M67-V71 WeakPolarHBondContact O-CG2 3.35Å; M67-V71 PolarHBondContact O-N 2.91Å; M67-V71 HydrophobicContact SD-CB 4.46Å; M67-V71 HydrophobicContact SD-CG2 3.5Å; M67-V71 WeakPolarHBondContact SD-CG2 3.23Å; P68-V71 PolarHBondContact O-N 3.05Å; V71-R73 PolarHBondContact O-N 2.79Å; V71-R74 WeakPolarHBondContact O-CB 3.32Å; V71-R74 PolarHBondContact O-N 2.86Å; V71-R74 VanDerWaalsContact O-N 3.09Å; V71-M75 HydrophobicContact CG1-CG 4.46Å; V71-M75 HydrophobicContact CG1-SD 4.2Å; V71-M75 WeakPolarHBondContact O-CG 3.17Å; V71-M75 PolarHBondContact O-N 3.43Å |
| 72 | Q | 94.8 | Very high | 94.3 | Very high | 102 Ų | 102 | 107.1 Ų | 107.1 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 179 | -176.7 | 59 | 32.8 | 0 | 0 | 112.1 | P68 R74 M75 E76 | P68-Q72 WeakPolarHBondContact O-CB 3.3Å; P68-Q72 PolarHBondContact O-N 3.25Å; Q72-R74 VanDerWaalsContact C-N 3.26Å; Q72-R74 PolarHBondContact O-N 3.48Å; Q72-M75 WeakPolarHBondContact O-CB 3.47Å; Q72-M75 PolarHBondContact O-N 3.39Å; Q72-M75 VanDerWaalsContact O-N 3.09Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.46Å; Q72-E76 PolarHBondContact NE2-OE1 3.25Å; Q72-E76 PolarHBondContact O-N 2.96Å; Q72-E76 VanDerWaalsContact O-N 3.08Å |
| 73 | R | 95.6 | Very high | 94 | Very high | 155 Ų | 155 | 106.5 Ų | 106.5 | 59% | 0.585 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.3 | -41 | 175.9 | -175.3 | -169.6 | -58.6 | 171.2 | 1.2 | 112 | L69 V71 M75 E76 E77 | L69-R73 PolarHBondContact O-N 3.34Å; V71-R73 PolarHBondContact O-N 2.79Å; R73-M75 VanDerWaalsContact C-N 3.29Å; R73-M75 PolarHBondContact O-N 3.12Å; R73-E76 PolarHBondContact O-N 3.48Å; R73-E77 HydrophobicContact CG-CG 4.46Å; R73-E77 WeakPolarHBondContact O-CB 3.36Å; R73-E77 WeakPolarHBondContact O-CG 3.08Å; R73-E77 PolarHBondContact O-N 2.95Å |
| 74 | R | 94.9 | Very high | 93.6 | Very high | 180 Ų | 180 | 107.3 Ų | 107.3 | 68% | 0.679 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -32.9 | 180 | -67.2 | -76.4 | -95.5 | -139.1 | -6.1 | 111.8 | M70 V71 Q72 M78 | M70-R74 WeakPolarHBondContact O-CG 3.29Å; M70-R74 PolarHBondContact O-N 3.28Å; V71-R74 WeakPolarHBondContact O-CB 3.32Å; V71-R74 PolarHBondContact O-N 2.86Å; V71-R74 VanDerWaalsContact O-N 3.09Å; Q72-R74 VanDerWaalsContact C-N 3.26Å; Q72-R74 PolarHBondContact O-N 3.48Å; R74-M78 WeakPolarHBondContact O-CB 3.07Å; R74-M78 PolarHBondContact O-N 2.95Å; R74-M78 VanDerWaalsContact O-N 3.14Å |
| 75 | M | 93.3 | Very high | 93.1 | Very high | 117 Ų | 117 | 107.9 Ų | 107.9 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.4 | -44.7 | 174.4 | -65.8 | -177.2 | 77 | 0 | 0 | 111.1 | V71 Q72 R73 E77 M78 E79 | V71-M75 HydrophobicContact CG1-CG 4.46Å; V71-M75 HydrophobicContact CG1-SD 4.2Å; V71-M75 WeakPolarHBondContact O-CG 3.17Å; V71-M75 PolarHBondContact O-N 3.43Å; Q72-M75 WeakPolarHBondContact O-CB 3.47Å; Q72-M75 PolarHBondContact O-N 3.39Å; Q72-M75 VanDerWaalsContact O-N 3.09Å; R73-M75 VanDerWaalsContact C-N 3.29Å; R73-M75 PolarHBondContact O-N 3.12Å; M75-E77 PolarHBondContact O-N 3.48Å; M75-M78 PolarHBondContact O-N 3.35Å; M75-M78 VanDerWaalsContact O-N 3.17Å; M75-E79 PolarHBondContact O-N 3.19Å |
| 76 | E | 95.3 | Very high | 92.6 | Very high | 104 Ų | 104 | 103.6 Ų | 103.6 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.2 | -68 | 164.2 | -168.5 | 0 | 0 | 112.7 | Q72 R73 M78 E79 S80 | Q72-E76 WeakPolarHBondContact CG-OE1 3.46Å; Q72-E76 PolarHBondContact NE2-OE1 3.25Å; Q72-E76 PolarHBondContact O-N 2.96Å; Q72-E76 VanDerWaalsContact O-N 3.08Å; R73-E76 PolarHBondContact O-N 3.48Å; E76-M78 VanDerWaalsContact C-N 3.3Å; E76-M78 PolarHBondContact O-N 3.09Å; E76-E79 PolarHBondContact O-N 3.06Å; E76-S80 WeakPolarHBondContact O-CB 3.44Å; E76-S80 PolarHBondContact O-N 2.98Å; E76-S80 PolarHBondContact O-OG 2.78Å |
| 77 | E | 94.6 | Very high | 92 | Very high | 81 Ų | 81 | 106.5 Ų | 106.5 | 38% | 0.379 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -33.5 | 174.2 | -74.8 | 174.5 | -171.6 | 0 | 0 | 112.4 | R73 M75 S80 K81 | R73-E77 HydrophobicContact CG-CG 4.46Å; R73-E77 WeakPolarHBondContact O-CB 3.36Å; R73-E77 WeakPolarHBondContact O-CG 3.08Å; R73-E77 PolarHBondContact O-N 2.95Å; M75-E77 PolarHBondContact O-N 3.48Å; E77-S80 WeakPolarHBondContact CA-OG 3.37Å; E77-S80 PolarHBondContact O-OG 2.91Å; E77-S80 VanDerWaalsContact O-OG 3.1Å; E77-K81 WeakPolarHBondContact O-CB 3.39Å; E77-K81 WeakPolarHBondContact O-CD 3.41Å; E77-K81 VanDerWaalsContact O-CG 3.26Å; E77-K81 WeakPolarHBondContact O-CG 3.48Å; E77-K81 PolarHBondContact O-N 2.96Å |
| 78 | M | 91.1 | Very high | 91.2 | Very high | 140 Ų | 140 | 105.9 Ų | 105.9 | 69% | 0.69 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.4 | -41.6 | 176.9 | -174.3 | 174.8 | -66.4 | 0 | 0 | 111.5 | R74 M75 E76 A82 | R74-M78 WeakPolarHBondContact O-CB 3.07Å; R74-M78 PolarHBondContact O-N 2.95Å; R74-M78 VanDerWaalsContact O-N 3.14Å; M75-M78 PolarHBondContact O-N 3.35Å; M75-M78 VanDerWaalsContact O-N 3.17Å; E76-M78 VanDerWaalsContact C-N 3.3Å; E76-M78 PolarHBondContact O-N 3.09Å; M78-A82 WeakPolarHBondContact O-CB 3.33Å; M78-A82 PolarHBondContact O-N 2.74Å |
| 79 | E | 91.6 | Very high | 90.2 | Very high | 144 Ų | 144 | 105.4 Ų | 105.4 | 67% | 0.673 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.2 | -44.1 | 179.1 | -173.5 | 176.2 | 179.6 | 0 | 0 | 111.8 | M75 E76 K81 A82 A83 | M75-E79 PolarHBondContact O-N 3.19Å; E76-E79 PolarHBondContact O-N 3.06Å; E79-K81 PolarHBondContact O-N 3.43Å; E79-A82 PolarHBondContact O-N 3.41Å; E79-A83 WeakPolarHBondContact O-CB 3.09Å; E79-A83 PolarHBondContact O-N 2.92Å |
| 80 | S | 91.9 | Very high | 88.5 | Confident | 67 Ų | 67 | 107 Ų | 107 | 47% | 0.469 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 176 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | E76 E77 A83 E84 | E76-S80 WeakPolarHBondContact O-CB 3.44Å; E76-S80 PolarHBondContact O-N 2.98Å; E76-S80 PolarHBondContact O-OG 2.78Å; E77-S80 WeakPolarHBondContact CA-OG 3.37Å; E77-S80 PolarHBondContact O-OG 2.91Å; E77-S80 VanDerWaalsContact O-OG 3.1Å; S80-A83 PolarHBondContact O-N 2.88Å; S80-E84 PolarHBondContact O-N 3.47Å |
| 81 | K | 92.4 | Very high | 86.8 | Confident | 132 Ų | 132 | 105.5 Ų | 105.5 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -37.7 | 174 | -73.2 | 175.4 | -179.4 | 176.5 | 0 | 112.7 | E77 E79 E84 N85 | E77-K81 WeakPolarHBondContact O-CB 3.39Å; E77-K81 WeakPolarHBondContact O-CD 3.41Å; E77-K81 VanDerWaalsContact O-CG 3.26Å; E77-K81 WeakPolarHBondContact O-CG 3.48Å; E77-K81 PolarHBondContact O-N 2.96Å; E79-K81 PolarHBondContact O-N 3.43Å; K81-E84 PolarHBondContact O-N 2.88Å; K81-N85 WeakPolarHBondContact O-CB 3.39Å; K81-N85 PolarHBondContact O-N 2.73Å; K81-N85 PolarHBondContact O-ND2 3.22Å; K81-N85 PolarHBondContact O-OD1 3.09Å |
| 82 | A | 89.9 | Confident | 84.8 | Confident | 56 Ų | 56 | 111 Ų | 111 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M78 E79 N85 A86 | M78-A82 WeakPolarHBondContact O-CB 3.33Å; M78-A82 PolarHBondContact O-N 2.74Å; E79-A82 PolarHBondContact O-N 3.41Å; A82-N85 PolarHBondContact O-N 3.47Å; A82-A86 WeakPolarHBondContact O-CB 3.02Å; A82-A86 PolarHBondContact O-N 2.05Å |
| 83 | A | 89.6 | Confident | 82.8 | Confident | 47 Ų | 47 | 109.7 Ų | 109.7 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.9 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E79 S80 K87 | E79-A83 WeakPolarHBondContact O-CB 3.09Å; E79-A83 PolarHBondContact O-N 2.92Å; S80-A83 PolarHBondContact O-N 2.88Å; A83-K87 VanDerWaalsContact O-CG 3.25Å; A83-K87 WeakPolarHBondContact O-CG 3.46Å; A83-K87 PolarHBondContact O-N 3.49Å; A83-K87 VanDerWaalsContact O-N 3.09Å |
| 84 | E | 88.6 | Confident | 80.5 | Confident | 146 Ų | 146 | 106.2 Ų | 106.2 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.9 | -43.1 | 173.3 | -73 | -147 | 132.7 | 0 | 0 | 112.4 | S80 K81 A86 K87 A88 | S80-E84 PolarHBondContact O-N 3.47Å; K81-E84 PolarHBondContact O-N 2.88Å; E84-A86 VanDerWaalsContact C-N 3.33Å; E84-A86 PolarHBondContact O-N 2.78Å; E84-K87 PolarHBondContact O-N 3.13Å; E84-A88 WeakPolarHBondContact O-CB 3.34Å; E84-A88 PolarHBondContact O-N 3.17Å |
| 85 | N | 84.4 | Confident | 78 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 61% | 0.61 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.6 | -35.6 | 177.7 | -68 | -12.8 | 0 | 0 | 0 | 112.2 | K81 A82 A88 A89 | K81-N85 WeakPolarHBondContact O-CB 3.39Å; K81-N85 PolarHBondContact O-N 2.73Å; K81-N85 PolarHBondContact O-ND2 3.22Å; K81-N85 PolarHBondContact O-OD1 3.09Å; A82-N85 PolarHBondContact O-N 3.47Å; N85-A88 PolarHBondContact O-N 2.98Å; N85-A89 WeakPolarHBondContact O-CB 3.29Å; N85-A89 PolarHBondContact O-N 3.01Å |
| 86 | A | 84 | Confident | 75.7 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.8 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A82 E84 A88 A89 E90 | A82-A86 WeakPolarHBondContact O-CB 3.02Å; A82-A86 PolarHBondContact O-N 2.05Å; E84-A86 VanDerWaalsContact C-N 3.33Å; E84-A86 PolarHBondContact O-N 2.78Å; A86-A88 PolarHBondContact O-N 3.39Å; A86-A89 PolarHBondContact O-N 3.4Å; A86-E90 PolarHBondContact O-N 2.88Å |
| 87 | K | 83.8 | Confident | 72.5 | Confident | 149 Ų | 149 | 103.6 Ų | 103.6 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.8 | -36.1 | 175.9 | -72.2 | 174 | 179.6 | -172.1 | 0 | 112.8 | A83 E84 A91 | A83-K87 VanDerWaalsContact O-CG 3.25Å; A83-K87 WeakPolarHBondContact O-CG 3.46Å; A83-K87 PolarHBondContact O-N 3.49Å; A83-K87 VanDerWaalsContact O-N 3.09Å; E84-K87 PolarHBondContact O-N 3.13Å; K87-A91 PolarHBondContact O-N 3.27Å; K87-A91 VanDerWaalsContact O-N 3.15Å |
| 88 | A | 78.9 | Confident | 69.6 | Low | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.9 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E84 N85 A86 E90 A91 E92 | E84-A88 WeakPolarHBondContact O-CB 3.34Å; E84-A88 PolarHBondContact O-N 3.17Å; N85-A88 PolarHBondContact O-N 2.98Å; A86-A88 PolarHBondContact O-N 3.39Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 2.89Å; A88-A91 PolarHBondContact O-N 3.42Å; A88-E92 PolarHBondContact O-N 2.96Å |
| 89 | A | 74.6 | Confident | 66.7 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.6 | -33 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | N85 A86 | N85-A89 WeakPolarHBondContact O-CB 3.29Å; N85-A89 PolarHBondContact O-N 3.01Å; A86-A89 PolarHBondContact O-N 3.4Å |
| 90 | E | 58.9 | Low | 63.7 | Low | 154 Ų | 154 | 104.3 Ų | 104.3 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.6 | -30.2 | 173.9 | -73.9 | -178.7 | 150.7 | 0 | 0 | 112.9 | A86 A88 E92 A93 | A86-E90 PolarHBondContact O-N 2.88Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 2.89Å; E90-E92 VanDerWaalsContact C-N 3.32Å; E90-A93 PolarHBondContact O-N 3.29Å |
| 91 | A | 59.8 | Low | 60.7 | Low | 81 Ų | 81 | 104.8 Ų | 104.8 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.9 | -22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K87 A88 | K87-A91 PolarHBondContact O-N 3.27Å; K87-A91 VanDerWaalsContact O-N 3.15Å; A88-A91 PolarHBondContact O-N 3.42Å |
| 92 | E | 52.8 | Low | 57.7 | Low | 184 Ų | 184 | 103.2 Ų | 103.2 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 0.1 | 175.2 | -65.7 | -137.5 | 147.7 | 0 | 0 | 114.2 | A88 E90 | A88-E92 PolarHBondContact O-N 2.96Å; E90-E92 VanDerWaalsContact C-N 3.32Å |
| 93 | A | 52.3 | Low | 54.7 | Low | 75 Ų | 75 | 109.9 Ų | 109.9 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | trans | -96.7 | 15.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | E90 P95 | E90-A93 PolarHBondContact O-N 3.29Å; A93-P95 WeakPolarHBondContact O-CD 3.23Å | ||
| 94 | A | 47.3 | Very low | 51.8 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 121 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G96 | A94-G96 PolarHBondContact O-N 3.13Š|
| 95 | P | 43.7 | Very low | 49.4 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 132 | 179.7 | 18.1 | -13.7 | 0 | 0 | 0 | 110.9 | A93 | A93-P95 WeakPolarHBondContact O-CD 3.23Š|
| 96 | G | 43.6 | Very low | 47.4 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 142.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A94 | A94-G96 PolarHBondContact O-N 3.13Š|
| 97 | T | 28.2 | Very low | 44.8 | Very low | 145 Ų | 145 | 112.4 Ų | 112.4 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 119 | 163.1 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 98 | I | 35.3 | Very low | 42.3 | Very low | 161 Ų | 161 | 111.5 Ų | 111.5 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 126.3 | 167.4 | -63.8 | 174.6 | 0 | 0 | 0 | 108.8 | ||
| 99 | G | 30.1 | Very low | 40.3 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -145 | 107 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 100 | T | 28 | Very low | 38.4 | Very low | 142 Ų | 142 | 120.5 Ų | 120.5 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -64.3 | 139.8 | 176.4 | 38.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 101 | G | 29.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 161.7 | 101.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 102 | A | 28.8 | Very low | 36.1 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | 75.7 | 101.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 103 | E | 27.6 | Very low | 35.4 | Very low | 195 Ų | 195 | 118.7 Ų | 118.7 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | 48.2 | 111.6 | 119.7 | -151.2 | 177.2 | 123.8 | 0 | 0 | 120.8 | |||||
| 104 | A | 28.6 | Very low | 34.5 | Very low | 95 Ų | 95 | 120.3 Ų | 120.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 165.3 | 126 | 114.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 105 | A | 37.8 | Very low | 34.5 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 177.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | P | 43.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | -142.7 | -179.1 | 7.4 | 39.8 | -18.8 | 0 | 0 | 0 | 117.5 | ||||
| 107 | S | 27.8 | Very low | 34.4 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 73.1 | 130.7 | 160.6 | -74.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 108 | V | 32.3 | Very low | 34.8 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | -150.7 | 139.2 | 61.9 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 109 | Q | 37.1 | Very low | 35 | Very low | 188 Ų | 188 | 123.8 Ų | 123.8 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 135.1 | 171.2 | -68.8 | 170.9 | -6.6 | 0 | 0 | 111.2 | ||||
| 110 | T | 33.2 | Very low | 35.3 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -145 | 100.4 | 149.5 | -41 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 111 | S | 35.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 119.3 | 169.6 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 112 | I | 36.6 | Very low | 35.5 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | -120.4 | 110.1 | 158.1 | -60.9 | 175.5 | 0 | 0 | 0 | 107.1 | ||||
| 113 | S | 36.3 | Very low | 35.6 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -81.9 | 133.3 | 174.1 | 168.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 114 | S | 35.1 | Very low | 35.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 179.6 | 159.2 | 157.6 | -93.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 115 | P | 47.2 | Very low | 35.8 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -118.6 | 176.5 | -89 | 11.9 | 14 | 0 | 0 | 0 | 112.2 | |||||
| 116 | P | 44.8 | Very low | 35.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 148.3 | -178 | 28.7 | -35.6 | 0 | 0 | 0 | 113.4 | T118 | P116-T118 PolarHBondContact O-N 3.01Š|
| 117 | P | 40.3 | Very low | 34.8 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130 | 175 | 28.3 | -31.3 | 0 | 0 | 0 | 111.3 | ||
| 118 | T | 35.7 | Very low | 34.9 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 127.3 | 178.5 | -38.1 | 0 | 0 | 0 | 0 | 111.1 | P116 | P116-T118 PolarHBondContact O-N 3.01Š|
| 119 | Q | 38.8 | Very low | 35 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 130.7 | 166.4 | -64.6 | -179.7 | 36.9 | 0 | 0 | 108.9 | T121 | Q119-T121 VanDerWaalsContact C-N 3.31Å; Q119-T121 PolarHBondContact O-N 3.14Å |
| 120 | I | 37.1 | Very low | 34.4 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 89% | 0.892 | 78% | 0.775 | S | S | * | * | trans | -75.1 | 89.9 | 172.2 | -57.4 | 173.3 | 0 | 0 | 0 | 106.7 | S122 | I120-S122 PolarHBondContact O-N 2.89Š| ||
| 121 | T | 33.4 | Very low | 34.2 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -67.3 | 127.5 | 167.3 | -50.5 | 0 | 0 | 0 | 0 | 108.4 | Q119 L123 | Q119-T121 VanDerWaalsContact C-N 3.31Å; Q119-T121 PolarHBondContact O-N 3.14Å; T121-L123 PolarHBondContact O-N 3.5Å | ||
| 122 | S | 28.7 | Very low | 34 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -52.9 | 131.2 | 174.2 | -144.9 | 0 | 0 | 0 | 0 | 110.7 | I120 V124 | I120-S122 PolarHBondContact O-N 2.89Å; S122-V124 PolarHBondContact O-N 3.29Å | ||
| 123 | L | 30 | Very low | 33.7 | Very low | 156 Ų | 156 | 133 Ų | 133 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -68.2 | 98.3 | 176.4 | -162.1 | 82.7 | 0 | 0 | 0 | 109 | T121 | T121-L123 PolarHBondContact O-N 3.5Š| ||
| 124 | V | 32.6 | Very low | 33.2 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -89.5 | 106 | 153.8 | -177.1 | 0 | 0 | 0 | 0 | 105.4 | S122 E126 | S122-V124 PolarHBondContact O-N 3.29Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.17Å | ||
| 125 | T | 28.8 | Very low | 33 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -73.6 | 89.5 | 166.5 | -55.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 126 | E | 29.3 | Very low | 32.1 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 116.5 | 164.1 | -156.2 | 178.9 | 154.1 | 0 | 0 | 107.6 | V124 A128 | V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.17Å; E126-A128 PolarHBondContact O-N 2.91Å |
| 127 | V | 30 | Very low | 31.4 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 116.4 | 174 | 167.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 128 | A | 31 | Very low | 31.3 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 155.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E126 | E126-A128 PolarHBondContact O-N 2.91Š|
| 129 | P | 32.8 | Very low | 30.9 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -106.1 | 121.2 | 139.6 | 31.3 | -20.4 | 0 | 0 | 0 | 109.2 | ||||
| 130 | E | 25.2 | Very low | 30.5 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -68 | 127 | 164 | -98.3 | 179.8 | 95.3 | 0 | 0 | 109.7 | ||||
| 131 | V | 29.2 | Very low | 30 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -136.5 | 132.5 | 152.1 | -140.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 132 | H | 32.2 | Very low | 29.9 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 68% | 0.676 | 79% | 0.786 | S | S | * | * | trans | -57.1 | 143.3 | -165.8 | -78.8 | -112.6 | 0 | 0 | 0 | 118 | ||||
| 133 | H | 29.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 62.1 | 113.7 | 137.8 | -71.1 | -123 | 0 | 0 | 0 | 120.8 | ||||
| 134 | S | 26.3 | Very low | 30.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | 168.3 | 151.5 | 108.3 | -83.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 135 | A | 31.5 | Very low | 30.6 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -64.5 | 155.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 136 | L | 28.1 | Very low | 30.6 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | 170.1 | 134.3 | 115.1 | -86.5 | 158.9 | 0 | 0 | 0 | 111.5 | |||||
| 137 | K | 29.6 | Very low | 30.7 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -60.2 | 154.2 | 164.8 | -95.8 | 170.2 | 171.3 | 177.7 | 0 | 110.7 | ||||
| 138 | P | 38 | Very low | 30.7 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | -151.1 | 148.4 | 89 | 35.7 | -14.3 | 0 | 0 | 0 | 114.2 | |||||
| 139 | A | 28.3 | Very low | 30.7 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | 86.4 | 136.9 | 92.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 140 | V | 29.6 | Very low | 30.7 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -78.2 | 144.8 | -171.3 | 165.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 141 | L | 27.2 | Very low | 30.9 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -146.2 | 128.9 | 153.6 | -154.9 | 76.3 | 0 | 0 | 0 | 110 | ||||
| 142 | E | 30.3 | Very low | 31 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -114.2 | 143.1 | -176.2 | -111.7 | -155.1 | 154.8 | 0 | 0 | 111.7 | ||||
| 143 | I | 33.5 | Very low | 31 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 67% | 0.667 | 79% | 0.791 | S | S | * | * | trans | 78.9 | 155.4 | 141 | -65.2 | 173.5 | 0 | 0 | 0 | 118.3 | ||||
| 144 | P | 40.8 | Very low | 31.2 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | cis | -137.9 | 169.9 | -3.6 | 24.7 | -1.4 | 0 | 0 | 0 | 119.6 | ||||
| 145 | S | 31.3 | Very low | 31.6 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | 71.8 | 117.9 | 132.1 | -79.3 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 146 | N | 30.3 | Very low | 31.7 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | 70 | 119.1 | 120.8 | -61.3 | -0.7 | 0 | 0 | 0 | 121.3 | |||||
| 147 | T | 30.5 | Very low | 32.2 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | -151 | 134.5 | 128.8 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 148 | V | 30.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -77.1 | 141.8 | -178.4 | 167.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 149 | A | 31.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -153.4 | 98 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 150 | T | 31.5 | Very low | 32.9 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 3 | 131 | 145.6 | -16.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 151 | G | 29.7 | Very low | 33.3 | Very low | 60 Ų | 60 | 129.5 Ų | 129.5 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | 123.3 | 107.6 | 122.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 152 | I | 30.7 | Very low | 33.9 | Very low | 183 Ų | 183 | 127 Ų | 127 | 94% | 0.938 | 80% | 0.799 | S | S | * | * | trans | 81.9 | 125 | 136.2 | -48.4 | 157.7 | 0 | 0 | 0 | 118.9 | ||||
| 153 | G | 32.1 | Very low | 34 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 129.2 | 78.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | S155 | G153-S155 PolarHBondContact O-N 3.13Š| ||
| 154 | L | 34.6 | Very low | 34.2 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -66.1 | 123.9 | 156.3 | -79.5 | 144.7 | 0 | 0 | 0 | 108.9 | ||||
| 155 | S | 33.5 | Very low | 33.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -159.9 | 132.6 | 151.8 | -83.7 | 0 | 0 | 0 | 0 | 112 | G153 | G153-S155 PolarHBondContact O-N 3.13Š| ||
| 156 | A | 34.8 | Very low | 34.3 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -65.1 | 148.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 157 | S | 38 | Very low | 34.5 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -113.1 | 117.3 | 166.3 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 158 | T | 38.7 | Very low | 34.6 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -57.5 | 140.7 | 176.5 | -2.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 159 | P | 38.4 | Very low | 35 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -75.7 | 128.2 | 164 | -7.2 | 24 | 0 | 0 | 0 | 110.2 | T161 | P159-T161 PolarHBondContact O-N 2.05Š| ||
| 160 | L | 33.3 | Very low | 35.2 | Very low | 176 Ų | 176 | 130 Ų | 130 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -71.1 | 114.4 | 173.4 | -70.9 | 157.7 | 0 | 0 | 0 | 110 | ||||
| 161 | T | 38.7 | Very low | 35.4 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 130.8 | 163.2 | 26.9 | 0 | 0 | 0 | 0 | 110.2 | P159 R163 | P159-T161 PolarHBondContact O-N 2.05Å; T161-R163 PolarHBondContact O-N 3.35Å |
| 162 | P | 38.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 122 | 164.5 | -13.2 | 29.5 | 0 | 0 | 0 | 109.8 | ||
| 163 | R | 33.7 | Very low | 35.5 | Very low | 214 Ų | 214 | 137 Ų | 137 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 124.5 | 173.5 | -172.3 | 177.8 | 161.2 | -175.6 | -5.5 | 109.3 | T161 D165 | T161-R163 PolarHBondContact O-N 3.35Å; R163-D165 PolarHBondContact O-N 3Å |
| 164 | T | 37.7 | Very low | 35.6 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -78.3 | 109.6 | 173.2 | 44 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 165 | D | 34.6 | Very low | 35.3 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | -105 | 108.5 | 156.7 | -81.4 | -46.1 | 0 | 0 | 0 | 107.1 | R163 V167 | R163-D165 PolarHBondContact O-N 3Å; D165-V167 PolarHBondContact O-N 3.03Å | ||
| 166 | G | 39.2 | Very low | 35.8 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -70.1 | 124.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 167 | V | 34.8 | Very low | 35.6 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -127.1 | 124.5 | 159.9 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | D165 | D165-V167 PolarHBondContact O-N 3.03Š| ||
| 168 | N | 31.9 | Very low | 35.2 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -53.2 | 122.1 | -174.3 | -174.1 | -15.2 | 0 | 0 | 0 | 112.8 | S170 | N168-S170 PolarHBondContact O-N 3Å; N168-S170 PolarHBondContact OD1-N 3.37Å | ||
| 169 | V | 39.8 | Very low | 34.9 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 90.3 | 166.8 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 170 | S | 35.9 | Very low | 34.8 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -162.4 | 131.8 | 155.8 | -79.4 | 0 | 0 | 0 | 0 | 108.3 | N168 | N168-S170 PolarHBondContact O-N 3Å; N168-S170 PolarHBondContact OD1-N 3.37Å | ||
| 171 | E | 35.7 | Very low | 35.2 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | 96 | 77.8 | 170.8 | -142 | 161.2 | 110.5 | 0 | 0 | 117.5 | ||||
| 172 | L | 29.6 | Very low | 35.2 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | -154.8 | 103.9 | 122.5 | -146.5 | 85.8 | 0 | 0 | 0 | 110.5 | |||||
| 173 | K | 31.6 | Very low | 34.9 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -78 | 137.7 | 166.1 | 177.3 | -178.3 | 175.1 | -169.8 | 0 | 108.8 | ||||
| 174 | E | 34.8 | Very low | 35.3 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 41.3 | 109.3 | 162.5 | -78.4 | -163.5 | 92.3 | 0 | 0 | 119.3 | ||||
| 175 | T | 27.8 | Very low | 35.1 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | -154.7 | 127.4 | 119.6 | 43.3 | 0 | 0 | 0 | 0 | 108 | L177 | T175-L177 PolarHBondContact O-N 3.32Š| |||
| 176 | G | 44.3 | Very low | 35 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -60 | 130.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 177 | L | 30.9 | Very low | 34.9 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -139.1 | 118.8 | 168.9 | -78.2 | 172.6 | 0 | 0 | 0 | 109.3 | T175 | T175-L177 PolarHBondContact O-N 3.32Š| ||
| 178 | G | 30.3 | Very low | 35.1 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 149.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 179 | F | 32.2 | Very low | 35.4 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | -54 | 130 | 166.4 | -135.1 | -99.7 | 0 | 0 | 0 | 109.4 | Q181 | F179-Q181 PolarHBondContact O-N 3.03Å; F179-Q181 VanDerWaalsContact O-N 3.1Å | ||
| 180 | P | 35.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -66.2 | 114.4 | 172.9 | -13.6 | 27.5 | 0 | 0 | 0 | 108.4 | ||||
| 181 | Q | 41.4 | Very low | 35.5 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -66.5 | 137.1 | 160.2 | -71.4 | -162.3 | 14.4 | 0 | 0 | 108.4 | F179 A183 | F179-Q181 PolarHBondContact O-N 3.03Å; F179-Q181 VanDerWaalsContact O-N 3.1Å; Q181-A183 PolarHBondContact O-N 2.77Å | ||
| 182 | P | 38.4 | Very low | 35.4 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -69.1 | 117.9 | 165.7 | 26.8 | -28.5 | 0 | 0 | 0 | 108.8 | V184 | P182-V184 PolarHBondContact O-N 2.82Š| ||
| 183 | A | 33.5 | Very low | 36 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -65.2 | 112.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q181 S185 | Q181-A183 PolarHBondContact O-N 2.77Å; A183-S185 PolarHBondContact O-N 3.45Å | ||
| 184 | V | 40.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -75.1 | 100.6 | 163.6 | 67.8 | 0 | 0 | 0 | 0 | 107.3 | P182 | P182-V184 PolarHBondContact O-N 2.82Š| ||
| 185 | S | 34.7 | Very low | 37.5 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -69.7 | 134 | 168.7 | -73.6 | 0 | 0 | 0 | 0 | 109 | A183 | A183-S185 PolarHBondContact O-N 3.45Š| ||
| 186 | G | 32.8 | Very low | 38.5 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -60.3 | 136.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q188 | G186-Q188 PolarHBondContact O-N 2.97Š| ||
| 187 | I | 36.9 | Very low | 38.9 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -77.8 | 110.8 | 151.6 | -71.2 | 169.6 | 0 | 0 | 0 | 106.1 | N189 | I187-N189 WeakPolarHBondContact CG2-OD1 3.26Å; I187-N189 PolarHBondContact O-N 2.95Å | ||
| 188 | Q | 37.8 | Very low | 40.6 | Very low | 190 Ų | 190 | 133.1 Ų | 133.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -76.9 | 96.7 | 171.6 | -164.6 | 147 | 83.1 | 0 | 0 | 107.6 | G186 | G186-Q188 PolarHBondContact O-N 2.97Š| ||
| 189 | N | 38.2 | Very low | 41.2 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | trans | -93.3 | 99.2 | 166.4 | -75.3 | -8.9 | 0 | 0 | 0 | 108 | I187 F191 | I187-N189 WeakPolarHBondContact CG2-OD1 3.26Å; I187-N189 PolarHBondContact O-N 2.95Å; N189-F191 PolarHBondContact O-N 2.91Å | ||
| 190 | D | 39.2 | Very low | 41.6 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -60.3 | 109.9 | 162.5 | -172.4 | -96 | 0 | 0 | 0 | 108.5 | ||||
| 191 | F | 38.4 | Very low | 42 | Very low | 197 Ų | 197 | 134.7 Ų | 134.7 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -129.6 | 101.3 | 163.9 | -114.9 | -92.8 | 0 | 0 | 0 | 107.4 | N189 | N189-F191 PolarHBondContact O-N 2.91Š| ||
| 192 | G | 34.5 | Very low | 42 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 193 | S | 41.9 | Very low | 42.2 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 138.3 | 165.6 | -67.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 194 | P | 55.2 | Low | 42.8 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134 | 176.6 | 28.7 | -30.5 | 0 | 0 | 0 | 111.2 | A196 | P194-A196 PolarHBondContact O-N 3.49Š|
| 195 | K | 43.3 | Very low | 43 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 114.2 | -179.1 | -160.4 | -179.7 | -172.7 | 179.9 | 0 | 110.2 | ||||
| 196 | A | 49.5 | Very low | 43.6 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -80.4 | 134 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P194 | P194-A196 PolarHBondContact O-N 3.49Š| ||
| 197 | S | 52.5 | Low | 44.5 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 83% | 0.825 | S | S | * | * | trans | -140.4 | 154.2 | 171.8 | -82.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 198 | P | 66.5 | Low | 45.2 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 100% | 1.292 | 83% | 0.832 | S | S | * | * | trans | -74.8 | 0 | -134.7 | 29 | -36.4 | 0 | 0 | 0 | 115.5 |
Retrieved 198 of 198 residues in 162.7 ms
(Link to these results)