| 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 | 60.6 | Low | 79.5 | Confident | 214 Ų | 214 | 115.9 Ų | 115.9 | 100% | 1.054 | 60% | 0.598 | S | S | * | * | 0 | 53.6 | 0 | -68.9 | -158.9 | 157.1 | 0 | 0 | 111.9 | |||||
| 2 | S | 66.6 | Low | 80.2 | Confident | 93 Ų | 93 | 114.6 Ų | 114.6 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | trans | -104.7 | -22 | 174 | 47.7 | 0 | 0 | 0 | 0 | 111.9 | R5 A6 | S2-R5 WeakPolarHBondContact O-CB 3.38Å; S2-R5 PolarHBondContact O-N 3.23Å; S2-A6 PolarHBondContact O-N 3.26Å; S2-A6 VanDerWaalsContact O-N 3.13Å | ||
| 3 | W | 71.1 | Confident | 80.7 | Confident | 190 Ų | 190 | 110 Ų | 110 | 72% | 0.72 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.5 | -37 | -176.8 | -160.5 | 35.6 | 0 | 0 | 0 | 112.8 | R5 A6 F7 | W3-R5 VanDerWaalsContact C-N 3.31Å; W3-R5 PolarHBondContact O-N 3.48Å; W3-A6 WeakPolarHBondContact O-CB 3.29Å; W3-A6 PolarHBondContact O-N 3.2Å; W3-F7 AromaticContact CD1-CE2 3.74Å; W3-F7 HydrophobicContact CD2-CD2 4.24Å; W3-F7 AromaticContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CE2 3.4Å; W3-F7 VanDerWaalsContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CZ 4.17Å; W3-F7 AromaticContact CE2-CE2 3.17Å; W3-F7 AromaticContact CE2-CZ 3.44Å; W3-F7 VanDerWaalsContact CE2-CZ 3.44Å; W3-F7 AromaticContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CG-CD2 4.23Å; W3-F7 AromaticContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CH2-CE2 4.05Å; W3-F7 HydrophobicContact CH2-CZ 4.16Å; W3-F7 AromaticContact CZ2-CE2 3.54Å; W3-F7 HydrophobicContact CZ2-CE2 3.54Å; W3-F7 AromaticContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ2-CZ 3.45Å; W3-F7 VanDerWaalsContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ3-CE2 4.23Å; W3-F7 AromaticContact NE1-CE2 3.38Å; W3-F7 AromaticContact NE1-CZ 3.55Å; W3-F7 WeakPolarHBondContact O-CD2 3.04Å; W3-F7 PolarHBondContact O-N 3.42Å |
| 4 | T | 81.6 | Confident | 81.2 | Confident | 82 Ų | 82 | 108.5 Ų | 108.5 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.8 | -38.9 | 173 | 51.1 | 0 | 0 | 0 | 0 | 112 | F7 I8 | T4-F7 PolarHBondContact O-N 3.02Å; T4-I8 WeakPolarHBondContact O-CD1 3.48Å; T4-I8 WeakPolarHBondContact O-CG1 3.23Å; T4-I8 PolarHBondContact O-N 3.44Å |
| 5 | R | 79.8 | Confident | 81.5 | Confident | 183 Ų | 183 | 108.3 Ų | 108.3 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.8 | -39.6 | 175.9 | -62.1 | -177 | 178.5 | -176.3 | -1.7 | 111.6 | S2 W3 I8 L9 | S2-R5 WeakPolarHBondContact O-CB 3.38Å; S2-R5 PolarHBondContact O-N 3.23Å; W3-R5 VanDerWaalsContact C-N 3.31Å; W3-R5 PolarHBondContact O-N 3.48Å; R5-I8 PolarHBondContact O-N 3.47Å; R5-L9 WeakPolarHBondContact O-CB 3.47Å; R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 2.7Å |
| 6 | A | 83.4 | Confident | 81.7 | Confident | 56 Ų | 56 | 106.9 Ų | 106.9 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2 W3 L9 S10 | S2-A6 PolarHBondContact O-N 3.26Å; S2-A6 VanDerWaalsContact O-N 3.13Å; W3-A6 WeakPolarHBondContact O-CB 3.29Å; W3-A6 PolarHBondContact O-N 3.2Å; A6-L9 PolarHBondContact O-N 3.35Å; A6-S10 WeakPolarHBondContact O-CB 3.38Å; A6-S10 PolarHBondContact O-N 3.25Å |
| 7 | F | 84.6 | Confident | 81.8 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -41.6 | 175.5 | -76.5 | -62.8 | 0 | 0 | 0 | 113.1 | W3 T4 S10 S11 | W3-F7 AromaticContact CD1-CE2 3.74Å; W3-F7 HydrophobicContact CD2-CD2 4.24Å; W3-F7 AromaticContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CE2 3.4Å; W3-F7 VanDerWaalsContact CD2-CE2 3.4Å; W3-F7 HydrophobicContact CD2-CZ 4.17Å; W3-F7 AromaticContact CE2-CE2 3.17Å; W3-F7 AromaticContact CE2-CZ 3.44Å; W3-F7 VanDerWaalsContact CE2-CZ 3.44Å; W3-F7 AromaticContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CE3-CE2 3.94Å; W3-F7 HydrophobicContact CG-CD2 4.23Å; W3-F7 AromaticContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CG-CE2 3.79Å; W3-F7 HydrophobicContact CH2-CE2 4.05Å; W3-F7 HydrophobicContact CH2-CZ 4.16Å; W3-F7 AromaticContact CZ2-CE2 3.54Å; W3-F7 HydrophobicContact CZ2-CE2 3.54Å; W3-F7 AromaticContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ2-CZ 3.45Å; W3-F7 VanDerWaalsContact CZ2-CZ 3.45Å; W3-F7 HydrophobicContact CZ3-CE2 4.23Å; W3-F7 AromaticContact NE1-CE2 3.38Å; W3-F7 AromaticContact NE1-CZ 3.55Å; W3-F7 WeakPolarHBondContact O-CD2 3.04Å; W3-F7 PolarHBondContact O-N 3.42Å; T4-F7 PolarHBondContact O-N 3.02Å; F7-S10 PolarHBondContact O-N 3.41Å; F7-S11 PolarHBondContact O-N 2.8Å; F7-S11 PolarHBondContact O-OG 2.92Å |
| 8 | I | 86.1 | Confident | 81.7 | Confident | 105 Ų | 105 | 106.8 Ų | 106.8 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 177.9 | -67.2 | 162.8 | 0 | 0 | 0 | 110.7 | T4 R5 S10 S11 L12 | T4-I8 WeakPolarHBondContact O-CD1 3.48Å; T4-I8 WeakPolarHBondContact O-CG1 3.23Å; T4-I8 PolarHBondContact O-N 3.44Å; R5-I8 PolarHBondContact O-N 3.47Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å; I8-S11 PolarHBondContact O-N 2.88Å; I8-S11 PolarHBondContact O-OG 3.3Å; I8-L12 WeakPolarHBondContact O-CB 3.26Å; I8-L12 PolarHBondContact O-N 3.48Å |
| 9 | L | 87.2 | Confident | 81.4 | Confident | 119 Ų | 119 | 105.1 Ų | 105.1 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.7 | -36.8 | 177.3 | -71 | 170.6 | 0 | 0 | 0 | 111.9 | R5 A6 S13 | R5-L9 WeakPolarHBondContact O-CB 3.47Å; R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 2.7Å; A6-L9 PolarHBondContact O-N 3.35Å; L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 3Å |
| 10 | S | 87.4 | Confident | 81 | Confident | 61 Ų | 61 | 106.7 Ų | 106.7 | 43% | 0.427 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -39.8 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | A6 F7 I8 S13 I14 | A6-S10 WeakPolarHBondContact O-CB 3.38Å; A6-S10 PolarHBondContact O-N 3.25Å; F7-S10 PolarHBondContact O-N 3.41Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å; S10-S13 PolarHBondContact O-OG 3.36Å; S10-I14 WeakPolarHBondContact O-CD1 3.34Å; S10-I14 VanDerWaalsContact O-CG1 3.26Å; S10-I14 WeakPolarHBondContact O-CG1 3.46Å; S10-I14 PolarHBondContact O-N 3.16Å |
| 11 | S | 85.9 | Confident | 80.2 | Confident | 59 Ų | 59 | 105.1 Ų | 105.1 | 41% | 0.413 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.2 | -36.8 | 177.5 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | F7 I8 I14 L15 | F7-S11 PolarHBondContact O-N 2.8Å; F7-S11 PolarHBondContact O-OG 2.92Å; I8-S11 PolarHBondContact O-N 2.88Å; I8-S11 PolarHBondContact O-OG 3.3Å; S11-I14 PolarHBondContact O-N 3.1Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.19Å |
| 12 | L | 87.9 | Confident | 80.2 | Confident | 100 Ų | 100 | 98.8 Ų | 98.8 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176 | -156.1 | 101.1 | 0 | 0 | 0 | 111.6 | I8 L15 L16 | I8-L12 WeakPolarHBondContact O-CB 3.26Å; I8-L12 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 PolarHBondContact O-N 2.87Å |
| 13 | S | 87.1 | Confident | 79.7 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 178.1 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | L9 S10 L16 I17 | L9-S13 PolarHBondContact O-N 2.91Å; L9-S13 PolarHBondContact O-OG 3Å; S10-S13 PolarHBondContact O-OG 3.36Å; S13-L16 WeakPolarHBondContact O-CB 3.09Å; S13-L16 PolarHBondContact O-N 3.38Å; S13-I17 WeakPolarHBondContact O-CG1 3.42Å; S13-I17 PolarHBondContact O-N 3.11Å |
| 14 | I | 88.1 | Confident | 78.9 | Confident | 89 Ų | 89 | 96.1 Ų | 96.1 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 175.5 | -66.6 | 164.2 | 0 | 0 | 0 | 110.6 | S10 S11 L16 I17 I18 | S10-I14 WeakPolarHBondContact O-CD1 3.34Å; S10-I14 VanDerWaalsContact O-CG1 3.26Å; S10-I14 WeakPolarHBondContact O-CG1 3.46Å; S10-I14 PolarHBondContact O-N 3.16Å; S11-I14 PolarHBondContact O-N 3.1Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.46Å; I14-I17 PolarHBondContact O-N 3.1Å; I14-I18 HydrophobicContact CG2-CD1 3.84Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.17Å; I14-I18 PolarHBondContact O-N 2.83Å |
| 15 | L | 85.2 | Confident | 77.2 | Confident | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61 | -39.1 | 175.7 | -76.6 | 168.6 | 0 | 0 | 0 | 111.8 | S11 L12 I18 T19 | S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3.16Å; L15-I18 PolarHBondContact O-N 3.33Å; L15-T19 WeakPolarHBondContact O-CG2 3.33Å; L15-T19 PolarHBondContact O-N 3.21Å; L15-T19 PolarHBondContact O-OG1 3.12Å |
| 16 | L | 84.8 | Confident | 75.9 | Confident | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175 | -131.5 | 144.9 | 0 | 0 | 0 | 111 | L12 S13 I14 I18 T19 F20 | L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 PolarHBondContact O-N 2.87Å; S13-L16 WeakPolarHBondContact O-CB 3.09Å; S13-L16 PolarHBondContact O-N 3.38Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.46Å; L16-I18 VanDerWaalsContact C-N 3.3Å; L16-I18 PolarHBondContact O-N 3.06Å; L16-T19 PolarHBondContact O-N 3.04Å; L16-T19 PolarHBondContact O-OG1 2.91Å; L16-F20 HydrophobicContact CD2-CD2 3.55Å; L16-F20 HydrophobicContact CD2-CE2 3.27Å; L16-F20 HydrophobicContact CD2-CZ 4.32Å; L16-F20 HydrophobicContact CG-CD2 4.44Å; L16-F20 HydrophobicContact CG-CE2 4.26Å; L16-F20 VanDerWaalsContact O-CD2 3.23Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 3.01Å |
| 17 | I | 83.6 | Confident | 74.2 | Confident | 112 Ų | 112 | 99.6 Ų | 99.6 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.7 | -40.7 | 176.8 | -66.4 | 162.3 | 0 | 0 | 0 | 111 | S13 I14 S21 | S13-I17 WeakPolarHBondContact O-CG1 3.42Å; S13-I17 PolarHBondContact O-N 3.11Å; I14-I17 PolarHBondContact O-N 3.1Å; I17-S21 VanDerWaalsContact O-CB 3.25Å; I17-S21 WeakPolarHBondContact O-CB 3.48Å; I17-S21 PolarHBondContact O-N 3.35Å; I17-S21 PolarHBondContact O-OG 2.84Å |
| 18 | I | 79.3 | Confident | 72.6 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.4 | -41.5 | 179.4 | -66.7 | 166.1 | 0 | 0 | 0 | 111.5 | I14 L15 L16 S21 S22 | I14-I18 HydrophobicContact CG2-CD1 3.84Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.17Å; I14-I18 PolarHBondContact O-N 2.83Å; L15-I18 PolarHBondContact O-N 3.33Å; L16-I18 VanDerWaalsContact C-N 3.3Å; L16-I18 PolarHBondContact O-N 3.06Å; I18-S21 PolarHBondContact O-N 2.94Å; I18-S22 PolarHBondContact O-N 2.82Å |
| 19 | T | 76.4 | Confident | 70.6 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.1 | -37.6 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | L15 L16 S22 V23 | L15-T19 WeakPolarHBondContact O-CG2 3.33Å; L15-T19 PolarHBondContact O-N 3.21Å; L15-T19 PolarHBondContact O-OG1 3.12Å; L16-T19 PolarHBondContact O-N 3.04Å; L16-T19 PolarHBondContact O-OG1 2.91Å; T19-S22 PolarHBondContact O-N 3.22Å; T19-S22 PolarHBondContact O-OG 3.4Å; T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.09Å; T19-V23 PolarHBondContact O-N 2.98Å; T19-V23 VanDerWaalsContact O-N 3.12Å |
| 20 | F | 72.5 | Confident | 68.6 | Low | 138 Ų | 138 | 102.3 Ų | 102.3 | 61% | 0.605 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.8 | -34.9 | 173.2 | -83.4 | -94.4 | 0 | 0 | 0 | 111.9 | L16 S22 V23 V24 | L16-F20 HydrophobicContact CD2-CD2 3.55Å; L16-F20 HydrophobicContact CD2-CE2 3.27Å; L16-F20 HydrophobicContact CD2-CZ 4.32Å; L16-F20 HydrophobicContact CG-CD2 4.44Å; L16-F20 HydrophobicContact CG-CE2 4.26Å; L16-F20 VanDerWaalsContact O-CD2 3.23Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 3.01Å; F20-S22 VanDerWaalsContact C-N 3.34Å; F20-S22 PolarHBondContact O-N 3.29Å; F20-V23 PolarHBondContact O-N 2.81Å; F20-V24 PolarHBondContact O-N 2.85Å |
| 21 | S | 64.8 | Low | 66.9 | Low | 73 Ų | 73 | 106.9 Ų | 106.9 | 51% | 0.51 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.8 | -29.5 | 174.6 | -58.3 | 0 | 0 | 0 | 0 | 113 | I17 I18 V24 | I17-S21 VanDerWaalsContact O-CB 3.25Å; I17-S21 WeakPolarHBondContact O-CB 3.48Å; I17-S21 PolarHBondContact O-N 3.35Å; I17-S21 PolarHBondContact O-OG 2.84Å; I18-S21 PolarHBondContact O-N 2.94Å; S21-V24 CarbonylContact O-C 3.58Å |
| 22 | S | 60.8 | Low | 65.1 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 57% | 0.573 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.4 | -25.3 | 173.6 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | I18 T19 F20 | I18-S22 PolarHBondContact O-N 2.82Å; T19-S22 PolarHBondContact O-N 3.22Å; T19-S22 PolarHBondContact O-OG 3.4Å; F20-S22 VanDerWaalsContact C-N 3.34Å; F20-S22 PolarHBondContact O-N 3.29Å |
| 23 | V | 56.4 | Low | 63.5 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.2 | -31.3 | 170.2 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | T19 F20 K25 | T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.09Å; T19-V23 PolarHBondContact O-N 2.98Å; T19-V23 VanDerWaalsContact O-N 3.12Å; F20-V23 PolarHBondContact O-N 2.81Å; V23-K25 PolarHBondContact O-N 2.98Å |
| 24 | V | 53 | Low | 61.9 | Low | 111 Ų | 111 | 116.5 Ų | 116.5 | 67% | 0.673 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -73.8 | 71.8 | 160.1 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | F20 S21 S26 | F20-V24 PolarHBondContact O-N 2.85Å; S21-V24 CarbonylContact O-C 3.58Å; V24-S26 PolarHBondContact O-N 3.32Å |
| 25 | K | 47.7 | Very low | 60.1 | Low | 185 Ų | 185 | 118 Ų | 118 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -43 | 113.3 | 167.6 | -106.4 | 164.9 | 173.3 | 155.3 | 0 | 107.9 | V23 A27 | V23-K25 PolarHBondContact O-N 2.98Å; K25-A27 PolarHBondContact O-N 3.38Å | ||
| 26 | S | 51.8 | Low | 58.5 | Low | 97 Ų | 97 | 117.3 Ų | 117.3 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -33.6 | 133.8 | 171.1 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | V24 A28 | V24-S26 PolarHBondContact O-N 3.32Å; S26-A28 PolarHBondContact O-N 3.44Å | ||
| 27 | A | 47.5 | Very low | 57.2 | Low | 112 Ų | 112 | 119.1 Ų | 119.1 | 93% | 0.926 | 69% | 0.685 | S | S | * | * | trans | -66.4 | 36 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111 | K25 V29 | K25-A27 PolarHBondContact O-N 3.38Å; A27-V29 PolarHBondContact O-N 3.46Å; A27-V29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | A | 50.5 | Low | 55.9 | Low | 69 Ų | 69 | 117.1 Ų | 117.1 | 57% | 0.57 | 69% | 0.685 | S | S | * | * | trans | -75.7 | 103.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | S26 R30 | S26-A28 PolarHBondContact O-N 3.44Å; A28-R30 PolarHBondContact O-N 3.24Å; A28-R30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | V | 44.4 | Very low | 54.8 | Low | 128 Ų | 128 | 117.4 Ų | 117.4 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | -47.1 | 119.8 | 158.1 | 173.1 | 0 | 0 | 0 | 0 | 106.4 | A27 D31 | A27-V29 PolarHBondContact O-N 3.46Å; A27-V29 VanDerWaalsContact O-N 3.16Å; V29-D31 PolarHBondContact O-N 2.71Å | ||
| 30 | R | 46.4 | Very low | 53.9 | Low | 196 Ų | 196 | 116.7 Ų | 116.7 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | trans | -68.8 | 124.6 | 171.3 | -63.6 | -163 | -175.4 | -174.2 | 1.3 | 107.3 | A28 D32 | A28-R30 PolarHBondContact O-N 3.24Å; A28-R30 VanDerWaalsContact O-N 3.14Å; R30-D32 HydrophobicContact CB-CB 4.21Å; R30-D32 WeakPolarHBondContact CD-OD2 3.35Å; R30-D32 IonicContact NH1-OD2 3.61Å; R30-D32 PolarHBondContact O-N 2.97Å | ||
| 31 | D | 50.1 | Low | 53.3 | Low | 158 Ų | 158 | 113.7 Ų | 113.7 | 85% | 0.845 | 69% | 0.692 | S | S | * | * | trans | -72.2 | 40.5 | 163.6 | -82.2 | -26 | 0 | 0 | 0 | 111 | V29 S33 | V29-D31 PolarHBondContact O-N 2.71Å; D31-S33 PolarHBondContact O-N 3.3Å; D31-S33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | D | 49.1 | Very low | 52.9 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | trans | -77.3 | 97.6 | 168.9 | -67.5 | -21.1 | 0 | 0 | 0 | 105.6 | R30 K34 | R30-D32 HydrophobicContact CB-CB 4.21Å; R30-D32 WeakPolarHBondContact CD-OD2 3.35Å; R30-D32 IonicContact NH1-OD2 3.61Å; R30-D32 PolarHBondContact O-N 2.97Å; D32-K34 PolarHBondContact O-N 3.32Å | ||
| 33 | S | 54.4 | Low | 52.8 | Low | 122 Ų | 122 | 116.7 Ų | 116.7 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -68.9 | 50.9 | -178.7 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | D31 | D31-S33 PolarHBondContact O-N 3.3Å; D31-S33 VanDerWaalsContact O-N 3.08Å |
| 34 | K | 53.8 | Low | 53 | Low | 184 Ų | 184 | 119.5 Ų | 119.5 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | trans | -144.2 | 105 | 163 | -119.9 | 176.5 | -178.2 | 177.7 | 0 | 109 | D32 A36 | D32-K34 PolarHBondContact O-N 3.32Å; K34-A36 PolarHBondContact O-N 2.94Å | ||
| 35 | P | 49.2 | Very low | 53.7 | Low | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | trans | -66.8 | 101.2 | 170.4 | 27.7 | -30.7 | 0 | 0 | 0 | 107.4 | D37 | P35-D37 PolarHBondContact O-N 3.49Š| ||
| 36 | A | 52.2 | Low | 54.8 | Low | 91 Ų | 91 | 118.1 Ų | 118.1 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -57.9 | 121.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | K34 A38 | K34-A36 PolarHBondContact O-N 2.94Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A36-A38 PolarHBondContact O-N 3.43Å | ||
| 37 | D | 57.9 | Low | 56 | Low | 124 Ų | 124 | 118 Ų | 118 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | trans | -41.5 | 88.6 | -168.3 | -73.5 | -63.3 | 0 | 0 | 0 | 114 | P35 Q39 | P35-D37 PolarHBondContact O-N 3.49Å; D37-Q39 HydrophobicContact CB-CB 4.36Å; D37-Q39 HydrophobicContact CB-CG 4.09Å; D37-Q39 PolarHBondContact O-N 3.33Å; D37-Q39 PolarHBondContact OD1-NE2 2.97Å | ||
| 38 | A | 55.7 | Low | 57.5 | Low | 70 Ų | 70 | 115.3 Ų | 115.3 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | trans | -77.2 | 50.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | A36 G40 A42 | A36-A38 VanDerWaalsContact C-N 3.34Å; A36-A38 PolarHBondContact O-N 3.43Å; A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 3.44Å; A38-A42 HydrophobicContact CB-CB 4.46Å | ||
| 39 | Q | 55.9 | Low | 58.6 | Low | 105 Ų | 105 | 120.4 Ų | 120.4 | 49% | 0.491 | 67% | 0.669 | S | S | . | * | trans | -78.2 | -14.8 | -168.5 | -94.1 | 179.6 | 21.6 | 0 | 0 | 113.6 | D37 R43 | D37-Q39 HydrophobicContact CB-CB 4.36Å; D37-Q39 HydrophobicContact CB-CG 4.09Å; D37-Q39 PolarHBondContact O-N 3.33Å; D37-Q39 PolarHBondContact OD1-NE2 2.97Å; Q39-R43 WeakPolarHBondContact O-CD 3.34Å | ||
| 40 | G | 58 | Low | 60 | Low | 58 Ų | 58 | 118 Ų | 118 | 60% | 0.598 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -91.2 | -61.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | A38 | A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 3.44Å |
| 41 | A | 59.4 | Low | 61.4 | Low | 75 Ų | 75 | 112.8 Ų | 112.8 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -89.5 | -39.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R43 Q44 | A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 3.27Å; A41-Q44 PolarHBondContact O-N 3.43Å |
| 42 | A | 57.2 | Low | 62.7 | Low | 47 Ų | 47 | 106.2 Ų | 106.2 | 39% | 0.388 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.9 | -31.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A38 Q44 V45 F46 | A38-A42 HydrophobicContact CB-CB 4.46Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.91Å; A42-V45 PolarHBondContact O-N 2.94Å; A42-F46 WeakPolarHBondContact O-CD2 3.49Å; A42-F46 PolarHBondContact O-N 2.66Å |
| 43 | R | 58.4 | Low | 63.7 | Low | 171 Ų | 171 | 103.8 Ų | 103.8 | 65% | 0.645 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.3 | -20.7 | 174.7 | -76.3 | -170.6 | 174.4 | -178.1 | -0.6 | 114 | Q39 A41 F46 | Q39-R43 WeakPolarHBondContact O-CD 3.34Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 3.27Å; R43-F46 VanDerWaalsContact O-O 3.1Å |
| 44 | Q | 60.7 | Low | 64.3 | Low | 176 Ų | 176 | 102.4 Ų | 102.4 | 82% | 0.822 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.1 | -31.4 | 175.1 | -88.9 | -178.3 | -3.1 | 0 | 0 | 112.5 | A41 A42 | A41-Q44 PolarHBondContact O-N 3.43Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.91Å |
| 45 | V | 67.1 | Low | 65 | Low | 112 Ų | 112 | 98.9 Ų | 98.9 | 68% | 0.679 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -88 | -33.6 | 180 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | A42 | A42-V45 PolarHBondContact O-N 2.94Å |
| 46 | F | 70.7 | Confident | 65.7 | Low | 154 Ų | 154 | 99.4 Ų | 99.4 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -113.7 | 121.2 | -178.9 | -61.3 | -75.9 | 0 | 0 | 0 | 111.5 | A42 R43 | A42-F46 WeakPolarHBondContact O-CD2 3.49Å; A42-F46 PolarHBondContact O-N 2.66Å; R43-F46 VanDerWaalsContact O-O 3.1Å |
| 47 | M | 77.8 | Confident | 66.1 | Low | 95 Ų | 95 | 98 Ų | 98 | 47% | 0.468 | 55% | 0.547 | S | S | . | . | trans | -67.9 | 144.1 | 173.1 | -178.6 | 170 | 53.4 | 0 | 0 | 110.9 | D51 A52 F55 | M47-D51 HydrophobicContact CG-CB 3.56Å; M47-D51 HydrophobicContact SD-CB 3.78Å; M47-A52 VanDerWaalsContact CE-CA 3.48Å; M47-A52 HydrophobicContact CE-CB 3.78Å; M47-F55 HydrophobicContact CE-CD2 3.4Å; M47-F55 HydrophobicContact CE-CE2 3.36Å; M47-F55 HydrophobicContact CE-CG 4.25Å; M47-F55 HydrophobicContact CE-CZ 4.16Å; M47-F55 HydrophobicContact SD-CD2 3.93Å; M47-F55 HydrophobicContact SD-CE2 3.29Å; M47-F55 WeakPolarHBondContact SD-CE2 3.34Å; M47-F55 HydrophobicContact SD-CZ 4.05Å | ||
| 48 | A | 79.6 | Confident | 65.9 | Low | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | trans | -59.8 | 146.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S50 D51 A52 | A48-S50 VanDerWaalsContact C-N 3.28Å; A48-S50 PolarHBondContact O-N 2.6Å; A48-D51 PolarHBondContact O-N 2.89Å; A48-A52 PolarHBondContact O-N 3.31Å | ||
| 49 | E | 73 | Confident | 65.9 | Low | 177 Ų | 177 | 101.1 Ų | 101.1 | 83% | 0.827 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.1 | -39.5 | -176.2 | -174.4 | -178.3 | 172.1 | 0 | 0 | 112.8 | D51 A52 S53 | E49-D51 VanDerWaalsContact C-N 3.33Å; E49-D51 PolarHBondContact O-N 2.76Å; E49-A52 PolarHBondContact O-N 3.15Å; E49-S53 WeakPolarHBondContact O-CB 3.39Å; E49-S53 PolarHBondContact O-N 3.02Å |
| 50 | S | 74.4 | Confident | 65.8 | Low | 76 Ų | 76 | 106.9 Ų | 106.9 | 53% | 0.531 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.2 | -42.1 | 175.8 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | A48 S53 N54 | A48-S50 VanDerWaalsContact C-N 3.28Å; A48-S50 PolarHBondContact O-N 2.6Å; S50-S53 PolarHBondContact O-OG 3.3Å; S50-N54 PolarHBondContact O-ND2 3.31Å |
| 51 | D | 75.9 | Confident | 65.5 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.5 | -39.6 | 177.9 | -72.7 | -15.4 | 0 | 0 | 0 | 111.1 | M47 A48 E49 S53 N54 F55 | M47-D51 HydrophobicContact CG-CB 3.56Å; M47-D51 HydrophobicContact SD-CB 3.78Å; A48-D51 PolarHBondContact O-N 2.89Å; E49-D51 VanDerWaalsContact C-N 3.33Å; E49-D51 PolarHBondContact O-N 2.76Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.97Å; D51-N54 WeakPolarHBondContact O-CB 3.46Å; D51-N54 PolarHBondContact O-N 2.96Å; D51-F55 VanDerWaalsContact O-CD2 3.23Å; D51-F55 WeakPolarHBondContact O-CD2 3.49Å |
| 52 | A | 75.5 | Confident | 65.2 | Low | 20 Ų | 20 | 114.7 Ų | 114.7 | 17% | 0.165 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -63.3 | -36.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M47 A48 E49 N54 F55 F56 | M47-A52 VanDerWaalsContact CE-CA 3.48Å; M47-A52 HydrophobicContact CE-CB 3.78Å; A48-A52 PolarHBondContact O-N 3.31Å; E49-A52 PolarHBondContact O-N 3.15Å; A52-N54 PolarHBondContact O-N 3.25Å; A52-F55 WeakPolarHBondContact O-CB 3.38Å; A52-F55 PolarHBondContact O-N 3.47Å; A52-F56 HydrophobicContact CB-CE2 4.38Å; A52-F56 WeakPolarHBondContact O-CD2 3.44Å; A52-F56 PolarHBondContact O-N 2.8Å |
| 53 | S | 70.9 | Confident | 65.2 | Low | 59 Ų | 59 | 123.5 Ų | 123.5 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.2 | -31.2 | 179 | 79.3 | 0 | 0 | 0 | 0 | 112 | E49 S50 D51 F56 S57 | E49-S53 WeakPolarHBondContact O-CB 3.39Å; E49-S53 PolarHBondContact O-N 3.02Å; S50-S53 PolarHBondContact O-OG 3.3Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.97Å; S53-F56 PolarHBondContact O-N 2.9Å; S53-S57 WeakPolarHBondContact O-CB 3.33Å; S53-S57 PolarHBondContact O-N 3.08Å; S53-S57 PolarHBondContact O-OG 2.81Å |
| 54 | N | 67.9 | Low | 65.4 | Low | 92 Ų | 92 | 125.1 Ų | 125.1 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.6 | -32.6 | 174.8 | -69.9 | -40.6 | 0 | 0 | 0 | 112.3 | S50 D51 A52 F56 S57 Q58 | S50-N54 PolarHBondContact O-ND2 3.31Å; D51-N54 WeakPolarHBondContact O-CB 3.46Å; D51-N54 PolarHBondContact O-N 2.96Å; A52-N54 PolarHBondContact O-N 3.25Å; N54-F56 VanDerWaalsContact C-N 3.32Å; N54-F56 PolarHBondContact O-N 3.43Å; N54-S57 WeakPolarHBondContact CA-OG 3.07Å; N54-S57 PolarHBondContact O-OG 2.94Å; N54-Q58 WeakPolarHBondContact O-CB 3.3Å; N54-Q58 PolarHBondContact O-N 3.13Å |
| 55 | F | 67.9 | Low | 65.5 | Low | 110 Ų | 110 | 121 Ų | 121 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.7 | -34.4 | 172.7 | -69.5 | -95.7 | 0 | 0 | 0 | 111.7 | M47 D51 A52 K59 | M47-F55 HydrophobicContact CE-CD2 3.4Å; M47-F55 HydrophobicContact CE-CE2 3.36Å; M47-F55 HydrophobicContact CE-CG 4.25Å; M47-F55 HydrophobicContact CE-CZ 4.16Å; M47-F55 HydrophobicContact SD-CD2 3.93Å; M47-F55 HydrophobicContact SD-CE2 3.29Å; M47-F55 WeakPolarHBondContact SD-CE2 3.34Å; M47-F55 HydrophobicContact SD-CZ 4.05Å; D51-F55 VanDerWaalsContact O-CD2 3.23Å; D51-F55 WeakPolarHBondContact O-CD2 3.49Å; A52-F55 WeakPolarHBondContact O-CB 3.38Å; A52-F55 PolarHBondContact O-N 3.47Å; F55-K59 WeakPolarHBondContact O-CB 3.45Å; F55-K59 WeakPolarHBondContact O-CD 3.38Å; F55-K59 WeakPolarHBondContact O-CG 3.36Å; F55-K59 PolarHBondContact O-N 3.29Å |
| 56 | F | 64.5 | Low | 65.6 | Low | 132 Ų | 132 | 121.8 Ų | 121.8 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78.4 | -36.6 | 176.8 | -63 | -69.9 | 0 | 0 | 0 | 112.8 | A52 S53 N54 K59 R60 | A52-F56 HydrophobicContact CB-CE2 4.38Å; A52-F56 WeakPolarHBondContact O-CD2 3.44Å; A52-F56 PolarHBondContact O-N 2.8Å; S53-F56 PolarHBondContact O-N 2.9Å; N54-F56 VanDerWaalsContact C-N 3.32Å; N54-F56 PolarHBondContact O-N 3.43Å; F56-K59 HydrophobicContact CD1-CD 4.41Å; F56-K59 CarbonylContact O-C 3.57Å; F56-K59 WeakPolarHBondContact O-CB 3.39Å; F56-K59 PolarHBondContact O-N 2.81Å; F56-R60 PolarHBondContact O-N 2.94Å |
| 57 | S | 58.8 | Low | 65.6 | Low | 63 Ų | 63 | 118.5 Ų | 118.5 | 44% | 0.441 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72 | -36 | 175.9 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | S53 N54 R60 | S53-S57 WeakPolarHBondContact O-CB 3.33Å; S53-S57 PolarHBondContact O-N 3.08Å; S53-S57 PolarHBondContact O-OG 2.81Å; N54-S57 WeakPolarHBondContact CA-OG 3.07Å; N54-S57 PolarHBondContact O-OG 2.94Å; S57-R60 WeakPolarHBondContact O-CB 3.06Å; S57-R60 PolarHBondContact O-N 3.02Å; S57-R60 VanDerWaalsContact O-N 3.12Å |
| 58 | Q | 55.3 | Low | 65.8 | Low | 125 Ų | 125 | 117 Ų | 117 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.5 | -31.3 | 171.1 | -153.3 | 168.4 | 43.3 | 0 | 0 | 111.1 | N54 R60 R61 | N54-Q58 WeakPolarHBondContact O-CB 3.3Å; N54-Q58 PolarHBondContact O-N 3.13Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.19Å; Q58-R61 VanDerWaalsContact O-CB 3.26Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.32Å |
| 59 | K | 54.6 | Low | 66.2 | Low | 134 Ų | 134 | 123.2 Ų | 123.2 | 58% | 0.583 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.7 | -16.4 | 165.4 | -81.7 | 173.2 | -174.7 | -178.9 | 0 | 113.9 | F55 F56 R61 S62 | F55-K59 WeakPolarHBondContact O-CB 3.45Å; F55-K59 WeakPolarHBondContact O-CD 3.38Å; F55-K59 WeakPolarHBondContact O-CG 3.36Å; F55-K59 PolarHBondContact O-N 3.29Å; F56-K59 HydrophobicContact CD1-CD 4.41Å; F56-K59 CarbonylContact O-C 3.57Å; F56-K59 WeakPolarHBondContact O-CB 3.39Å; F56-K59 PolarHBondContact O-N 2.81Å; K59-R61 PolarHBondContact O-N 3.09Å; K59-S62 WeakPolarHBondContact O-CA 3.48Å; K59-S62 WeakPolarHBondContact O-CB 3.4Å; K59-S62 PolarHBondContact O-N 3.23Å; K59-S62 PolarHBondContact O-OG 2.81Å |
| 60 | R | 54.4 | Low | 67 | Low | 225 Ų | 225 | 117.7 Ų | 117.7 | 85% | 0.849 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -7.3 | 166 | -69.7 | -176.3 | 178.2 | 176.9 | 0.1 | 112.5 | F56 S57 Q58 S62 | F56-R60 PolarHBondContact O-N 2.94Å; S57-R60 WeakPolarHBondContact O-CB 3.06Å; S57-R60 PolarHBondContact O-N 3.02Å; S57-R60 VanDerWaalsContact O-N 3.12Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.19Å; R60-S62 PolarHBondContact O-N 3.29Å |
| 61 | R | 51.8 | Low | 67.7 | Low | 199 Ų | 199 | 118.7 Ų | 118.7 | 75% | 0.751 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 18.9 | 157.9 | -60.9 | -174.9 | -172.7 | 179.5 | 2.5 | 113.3 | Q58 K59 R63 | Q58-R61 VanDerWaalsContact O-CB 3.26Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.32Å; K59-R61 PolarHBondContact O-N 3.09Å; R61-R63 CarbonylContact O-C 3.57Å; R61-R63 VanDerWaalsContact O-C 3.3Å; R61-R63 PolarHBondContact O-N 3.29Å; R61-R63 VanDerWaalsContact O-O 3.1Å |
| 62 | S | 52.1 | Low | 68.4 | Low | 99 Ų | 99 | 116.9 Ų | 116.9 | 69% | 0.692 | 57% | 0.569 | S | S | * | * | trans | -70.6 | 11.5 | 173.3 | 71.5 | 0 | 0 | 0 | 0 | 114.5 | K59 R60 R64 | K59-S62 WeakPolarHBondContact O-CA 3.48Å; K59-S62 WeakPolarHBondContact O-CB 3.4Å; K59-S62 PolarHBondContact O-N 3.23Å; K59-S62 PolarHBondContact O-OG 2.81Å; R60-S62 PolarHBondContact O-N 3.29Å; S62-R64 PolarHBondContact O-N 3.16Å; S62-R64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | R | 58.3 | Low | 69.2 | Low | 232 Ų | 232 | 119.5 Ų | 119.5 | 88% | 0.875 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -75.3 | 87.9 | 144 | -68.5 | 179.6 | 104.9 | 110.9 | -3 | 105.2 | R61 S65 | R61-R63 CarbonylContact O-C 3.57Å; R61-R63 VanDerWaalsContact O-C 3.3Å; R61-R63 PolarHBondContact O-N 3.29Å; R61-R63 VanDerWaalsContact O-O 3.1Å; R63-S65 PolarHBondContact O-N 3.4Å; R63-S65 VanDerWaalsContact O-N 3.11Å |
| 64 | R | 61.3 | Low | 70.3 | Confident | 204 Ų | 204 | 119.5 Ų | 119.5 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | trans | -34.9 | 125.9 | 160.6 | -68.6 | 175.2 | 176.3 | 154 | -1.5 | 106 | S62 | S62-R64 PolarHBondContact O-N 3.16Å; S62-R64 VanDerWaalsContact O-N 3.1Å | ||
| 65 | S | 64.1 | Low | 71.5 | Confident | 89 Ų | 89 | 118.8 Ų | 118.8 | 62% | 0.622 | 58% | 0.575 | S | S | * | * | trans | -44.8 | 138.6 | 168.4 | 51.4 | 0 | 0 | 0 | 0 | 107.1 | R63 K67 | R63-S65 PolarHBondContact O-N 3.4Å; R63-S65 VanDerWaalsContact O-N 3.11Å; S65-K67 PolarHBondContact O-N 3.14Å | ||
| 66 | P | 68.8 | Low | 72.8 | Confident | 129 Ų | 129 | 118.2 Ų | 118.2 | 84% | 0.838 | 57% | 0.573 | S | S | * | * | trans | -45.7 | 117.5 | 178.2 | -5.4 | 2.5 | 0 | 0 | 0 | 107.2 | S68 | P66-S68 PolarHBondContact O-N 3.35Å; P66-S68 VanDerWaalsContact O-N 3.16Å | ||
| 67 | K | 70.7 | Confident | 74.3 | Confident | 85 Ų | 85 | 119.5 Ų | 119.5 | 37% | 0.37 | 57% | 0.574 | S | S | . | * | trans | -51.5 | 129.2 | -173.4 | -90.7 | -175 | 165.9 | 176 | 0 | 107.5 | S65 Y69 V72 E75 | S65-K67 PolarHBondContact O-N 3.14Å; K67-Y69 PolarHBondContact O-N 2.72Å; K67-V72 HydrophobicContact CB-CG2 3.73Å; K67-V72 HydrophobicContact CD-CG2 4.23Å; K67-E75 WeakPolarHBondContact CE-OE1 3.45Å; K67-E75 IonicContact NZ-OE1 2.6Å; K67-E75 PolarHBondContact NZ-OE1 3.35Å; K67-E75 IonicContact NZ-OE2 2.66Å; K67-E75 PolarHBondContact NZ-OE2 3.18Å | ||
| 68 | S | 82.5 | Confident | 76.1 | Confident | 64 Ų | 64 | 123.4 Ų | 123.4 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | trans | -60 | 142.5 | 177.1 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | P66 A70 E71 V72 | P66-S68 PolarHBondContact O-N 3.35Å; P66-S68 VanDerWaalsContact O-N 3.16Å; S68-A70 PolarHBondContact O-N 3.3Å; S68-A70 VanDerWaalsContact O-N 3.1Å; S68-E71 PolarHBondContact N-OE2 2.81Å; S68-E71 WeakPolarHBondContact O-CB 3.36Å; S68-E71 PolarHBondContact O-N 3.08Å; S68-V72 PolarHBondContact O-N 3.09Å; S68-V72 VanDerWaalsContact O-N 3.16Å | ||
| 69 | Y | 87.8 | Confident | 78 | Confident | 186 Ų | 186 | 124.6 Ų | 124.6 | 73% | 0.729 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -52.3 | -36.8 | 179.3 | -179.8 | -98.6 | 0 | 0 | 0 | 111.9 | K67 E71 V72 Q73 | K67-Y69 PolarHBondContact O-N 2.72Å; Y69-E71 PolarHBondContact O-N 3.36Å; Y69-V72 PolarHBondContact O-N 3.41Å; Y69-Q73 PolarHBondContact O-N 3.18Å |
| 70 | A | 89.8 | Confident | 80 | Confident | 60 Ų | 60 | 125.7 Ų | 125.7 | 50% | 0.496 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.7 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S68 Q73 A74 | S68-A70 PolarHBondContact O-N 3.3Å; S68-A70 VanDerWaalsContact O-N 3.1Å; A70-Q73 PolarHBondContact O-N 2.83Å; A70-A74 WeakPolarHBondContact O-CB 3.42Å; A70-A74 PolarHBondContact O-N 3.41Å |
| 71 | E | 88.1 | Confident | 82 | Confident | 97 Ų | 97 | 117 Ų | 117 | 45% | 0.453 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.7 | -42.9 | 177.6 | -64.9 | 170.5 | 175.9 | 0 | 0 | 110.9 | S68 Y69 Q73 A74 E75 | S68-E71 PolarHBondContact N-OE2 2.81Å; S68-E71 WeakPolarHBondContact O-CB 3.36Å; S68-E71 PolarHBondContact O-N 3.08Å; Y69-E71 PolarHBondContact O-N 3.36Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.24Å; E71-A74 PolarHBondContact O-N 3.46Å; E71-E75 WeakPolarHBondContact O-CG 3.38Å; E71-E75 PolarHBondContact O-N 2.85Å |
| 72 | V | 90.6 | Very high | 84.2 | Confident | 51 Ų | 51 | 109.1 Ų | 109.1 | 31% | 0.309 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | K67 S68 Y69 E75 Q76 | K67-V72 HydrophobicContact CB-CG2 3.73Å; K67-V72 HydrophobicContact CD-CG2 4.23Å; S68-V72 PolarHBondContact O-N 3.09Å; S68-V72 VanDerWaalsContact O-N 3.16Å; Y69-V72 PolarHBondContact O-N 3.41Å; V72-E75 PolarHBondContact O-N 3.44Å; V72-Q76 WeakPolarHBondContact O-CB 3.41Å; V72-Q76 WeakPolarHBondContact O-CG 3.41Å; V72-Q76 PolarHBondContact O-N 3.05Å |
| 73 | Q | 94 | Very high | 86.3 | Confident | 75 Ų | 75 | 107.9 Ų | 107.9 | 35% | 0.35 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 177.9 | -167.2 | 177.6 | 37.5 | 0 | 0 | 111.9 | Y69 A70 E71 Q76 R77 | Y69-Q73 PolarHBondContact O-N 3.18Å; A70-Q73 PolarHBondContact O-N 2.83Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.24Å; Q73-Q76 PolarHBondContact O-N 2.86Å; Q73-R77 WeakPolarHBondContact O-CG 3.19Å; Q73-R77 PolarHBondContact O-N 3.03Å |
| 74 | A | 92.8 | Very high | 88.2 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A70 E71 Q76 R77 M78 | A70-A74 WeakPolarHBondContact O-CB 3.42Å; A70-A74 PolarHBondContact O-N 3.41Å; E71-A74 PolarHBondContact O-N 3.46Å; A74-Q76 PolarHBondContact O-N 2.98Å; A74-R77 PolarHBondContact O-N 3.32Å; A74-M78 PolarHBondContact O-N 2.88Å |
| 75 | E | 92.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 99.9 Ų | 99.9 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.3 | -75.1 | -176.7 | 171 | 0 | 0 | 112.6 | K67 E71 V72 R77 M78 K79 | K67-E75 WeakPolarHBondContact CE-OE1 3.45Å; K67-E75 IonicContact NZ-OE1 2.6Å; K67-E75 PolarHBondContact NZ-OE1 3.35Å; K67-E75 IonicContact NZ-OE2 2.66Å; K67-E75 PolarHBondContact NZ-OE2 3.18Å; E71-E75 WeakPolarHBondContact O-CG 3.38Å; E71-E75 PolarHBondContact O-N 2.85Å; V72-E75 PolarHBondContact O-N 3.44Å; E75-R77 VanDerWaalsContact C-N 3.35Å; E75-M78 PolarHBondContact O-N 3.33Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 2.85Å |
| 76 | Q | 95.8 | Very high | 91.4 | Very high | 97 Ų | 97 | 104.7 Ų | 104.7 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176 | -77.3 | -176.6 | 3.5 | 0 | 0 | 111.7 | V72 Q73 A74 M78 K79 R80 | V72-Q76 WeakPolarHBondContact O-CB 3.41Å; V72-Q76 WeakPolarHBondContact O-CG 3.41Å; V72-Q76 PolarHBondContact O-N 3.05Å; Q73-Q76 PolarHBondContact O-N 2.86Å; A74-Q76 PolarHBondContact O-N 2.98Å; Q76-M78 VanDerWaalsContact C-N 3.34Å; Q76-K79 PolarHBondContact O-N 2.84Å; Q76-R80 WeakPolarHBondContact O-CG 3.49Å; Q76-R80 PolarHBondContact O-N 2.93Å |
| 77 | R | 96.1 | Very high | 92.7 | Very high | 159 Ų | 159 | 106 Ų | 106 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 174.4 | -71.9 | 175 | -175.4 | 174.6 | 4.3 | 111.2 | Q73 A74 E75 K79 R80 A81 | Q73-R77 WeakPolarHBondContact O-CG 3.19Å; Q73-R77 PolarHBondContact O-N 3.03Å; A74-R77 PolarHBondContact O-N 3.32Å; E75-R77 VanDerWaalsContact C-N 3.35Å; R77-K79 VanDerWaalsContact C-N 3.34Å; R77-K79 PolarHBondContact O-N 3.12Å; R77-R80 PolarHBondContact O-N 3.15Å; R77-A81 WeakPolarHBondContact O-CB 3.18Å; R77-A81 PolarHBondContact O-N 3.22Å |
| 78 | M | 95.9 | Very high | 93.9 | Very high | 146 Ų | 146 | 106.6 Ų | 106.6 | 72% | 0.719 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 176.5 | -169.9 | -163.9 | -157.9 | 0 | 0 | 112 | A74 E75 Q76 A81 A82 | A74-M78 PolarHBondContact O-N 2.88Å; E75-M78 PolarHBondContact O-N 3.33Å; Q76-M78 VanDerWaalsContact C-N 3.34Å; M78-A81 PolarHBondContact O-N 3.41Å; M78-A82 WeakPolarHBondContact O-CB 3.3Å; M78-A82 PolarHBondContact O-N 2.86Å |
| 79 | K | 96.3 | Very high | 94.6 | Very high | 150 Ų | 150 | 110 Ų | 110 | 65% | 0.652 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 177.1 | -74.7 | 179.3 | -179.4 | -177.5 | 0 | 112.2 | E75 Q76 R77 A82 S83 | E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 2.85Å; Q76-K79 PolarHBondContact O-N 2.84Å; R77-K79 VanDerWaalsContact C-N 3.34Å; R77-K79 PolarHBondContact O-N 3.12Å; K79-A82 PolarHBondContact O-N 3.46Å; K79-S83 WeakPolarHBondContact O-CB 3.37Å; K79-S83 PolarHBondContact O-N 3.06Å |
| 80 | R | 96.6 | Very high | 95 | Very high | 157 Ų | 157 | 106.1 Ų | 106.1 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -49.5 | 175.7 | -69.7 | -179.2 | -159.7 | -166.7 | 5 | 111.2 | Q76 R77 A82 S83 E84 | Q76-R80 WeakPolarHBondContact O-CG 3.49Å; Q76-R80 PolarHBondContact O-N 2.93Å; R77-R80 PolarHBondContact O-N 3.15Å; R80-A82 VanDerWaalsContact C-N 3.26Å; R80-A82 PolarHBondContact O-N 2.83Å; R80-S83 CarbonylContact O-C 3.3Å; R80-S83 WeakPolarHBondContact O-CA 3.24Å; R80-S83 VanDerWaalsContact O-CB 3.3Å; R80-S83 WeakPolarHBondContact O-CB 3.35Å; R80-S83 PolarHBondContact O-N 3.12Å; R80-E84 WeakPolarHBondContact O-CB 3.48Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 2.98Å |
| 81 | A | 97 | Very high | 95.3 | Very high | 42 Ų | 42 | 106.4 Ų | 106.4 | 35% | 0.347 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -33 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R77 M78 R85 | R77-A81 WeakPolarHBondContact O-CB 3.18Å; R77-A81 PolarHBondContact O-N 3.22Å; M78-A81 PolarHBondContact O-N 3.41Å; A81-R85 WeakPolarHBondContact O-CG 3.39Å; A81-R85 PolarHBondContact O-N 3.43Å; A81-R85 VanDerWaalsContact O-N 3.15Å; A81-R85 PolarHBondContact O-NE 3.02Å |
| 82 | A | 97.2 | Very high | 95.7 | Very high | 33 Ų | 33 | 107.1 Ų | 107.1 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.8 | -36.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M78 K79 R80 R86 | M78-A82 WeakPolarHBondContact O-CB 3.3Å; M78-A82 PolarHBondContact O-N 2.86Å; K79-A82 PolarHBondContact O-N 3.46Å; R80-A82 VanDerWaalsContact C-N 3.26Å; R80-A82 PolarHBondContact O-N 2.83Å; A82-R86 WeakPolarHBondContact O-CG 3.48Å; A82-R86 PolarHBondContact O-N 2.99Å |
| 83 | S | 97.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 108.8 Ų | 108.8 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | K79 R80 R86 R87 | K79-S83 WeakPolarHBondContact O-CB 3.37Å; K79-S83 PolarHBondContact O-N 3.06Å; R80-S83 CarbonylContact O-C 3.3Å; R80-S83 WeakPolarHBondContact O-CA 3.24Å; R80-S83 VanDerWaalsContact O-CB 3.3Å; R80-S83 WeakPolarHBondContact O-CB 3.35Å; R80-S83 PolarHBondContact O-N 3.12Å; S83-R86 PolarHBondContact O-N 3.31Å; S83-R87 PolarHBondContact O-N 3.19Å |
| 84 | E | 96.9 | Very high | 95.8 | Very high | 106 Ų | 106 | 111.9 Ų | 111.9 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -51.3 | 178.4 | -74.6 | 161.9 | -176.9 | 0 | 0 | 110.5 | R80 R86 R87 E88 | R80-E84 WeakPolarHBondContact O-CB 3.48Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 2.98Å; E84-R86 VanDerWaalsContact C-N 3.27Å; E84-R86 PolarHBondContact O-N 3.16Å; E84-R87 CarbonylContact O-C 3.5Å; E84-R87 WeakPolarHBondContact O-CA 3.25Å; E84-R87 WeakPolarHBondContact O-CB 3.3Å; E84-R87 PolarHBondContact O-N 3.39Å; E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.41Å |
| 85 | R | 96.8 | Very high | 96 | Very high | 162 Ų | 162 | 113 Ų | 113 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57 | -36.9 | 176.6 | -75.7 | -174.9 | -67.5 | 139.6 | -7.3 | 114.2 | A81 R87 Y89 | A81-R85 WeakPolarHBondContact O-CG 3.39Å; A81-R85 PolarHBondContact O-N 3.43Å; A81-R85 VanDerWaalsContact O-N 3.15Å; A81-R85 PolarHBondContact O-NE 3.02Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R85-Y89 WeakPolarHBondContact O-CB 3.42Å; R85-Y89 PolarHBondContact O-N 2.99Å; R85-Y89 VanDerWaalsContact O-N 3.09Å |
| 86 | R | 95.2 | Very high | 96 | Very high | 190 Ų | 190 | 114.3 Ų | 114.3 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.4 | -36.6 | 175.8 | -77 | 178.4 | 177.3 | -175.3 | -1.7 | 111.9 | A82 S83 E84 N90 | A82-R86 WeakPolarHBondContact O-CG 3.48Å; A82-R86 PolarHBondContact O-N 2.99Å; S83-R86 PolarHBondContact O-N 3.31Å; E84-R86 VanDerWaalsContact C-N 3.27Å; E84-R86 PolarHBondContact O-N 3.16Å; R86-N90 PolarHBondContact O-N 3.45Å; R86-N90 PolarHBondContact O-ND2 2.91Å |
| 87 | R | 97.4 | Very high | 95.9 | Very high | 155 Ų | 155 | 117 Ų | 117 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.8 | -49.5 | 177.2 | -179.7 | -178.3 | 170.6 | -161.1 | -11.5 | 110.6 | S83 E84 R85 Y89 N90 E91 | S83-R87 PolarHBondContact O-N 3.19Å; E84-R87 CarbonylContact O-C 3.5Å; E84-R87 WeakPolarHBondContact O-CA 3.25Å; E84-R87 WeakPolarHBondContact O-CB 3.3Å; E84-R87 PolarHBondContact O-N 3.39Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R87-Y89 VanDerWaalsContact C-N 3.34Å; R87-Y89 PolarHBondContact O-N 2.69Å; R87-N90 PolarHBondContact O-N 3.5Å; R87-N90 VanDerWaalsContact O-N 3.09Å; R87-E91 HydrophobicContact CG-CG 4.35Å; R87-E91 IonicContact CZ-OE1 3.2Å; R87-E91 IonicContact NE-OE1 2.72Å; R87-E91 PolarHBondContact NE-OE1 3.23Å; R87-E91 IonicContact NE-OE2 3.82Å; R87-E91 IonicContact NH2-OE1 2.81Å; R87-E91 PolarHBondContact NH2-OE1 3.44Å; R87-E91 WeakPolarHBondContact O-CG 3.43Å; R87-E91 PolarHBondContact O-N 2.97Å |
| 88 | E | 96 | Very high | 95.7 | Very high | 99 Ų | 99 | 114.3 Ų | 114.3 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54.3 | -50.1 | 176.5 | -71.9 | 167.4 | 178.8 | 0 | 0 | 110.7 | E84 N90 E91 E92 | E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.41Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 2.95Å; E88-E91 PolarHBondContact O-N 3.37Å; E88-E91 VanDerWaalsContact O-N 3.13Å; E88-E92 WeakPolarHBondContact O-CB 3.34Å; E88-E92 WeakPolarHBondContact O-CG 3.25Å; E88-E92 PolarHBondContact O-N 2.9Å |
| 89 | Y | 96.5 | Very high | 95.6 | Very high | 135 Ų | 135 | 111.5 Ų | 111.5 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.4 | -42.8 | 176 | 176.6 | -96.8 | 0 | 0 | 0 | 113 | R85 R87 Q93 | R85-Y89 WeakPolarHBondContact O-CB 3.42Å; R85-Y89 PolarHBondContact O-N 2.99Å; R85-Y89 VanDerWaalsContact O-N 3.09Å; R87-Y89 VanDerWaalsContact C-N 3.34Å; R87-Y89 PolarHBondContact O-N 2.69Å; Y89-Q93 HydrophobicContact CD1-CG 4.44Å; Y89-Q93 HydrophobicContact CE1-CG 4.02Å; Y89-Q93 HydrophobicContact CE2-CG 4.28Å; Y89-Q93 VanDerWaalsContact O-CG 3.24Å; Y89-Q93 WeakPolarHBondContact O-CG 3.29Å; Y89-Q93 PolarHBondContact O-N 3.44Å |
| 90 | N | 96.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 112.6 Ų | 112.6 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.7 | -34 | 179.1 | -69.8 | -17.8 | 0 | 0 | 0 | 112.5 | R86 R87 E88 R94 | R86-N90 PolarHBondContact O-N 3.45Å; R86-N90 PolarHBondContact O-ND2 2.91Å; R87-N90 PolarHBondContact O-N 3.5Å; R87-N90 VanDerWaalsContact O-N 3.09Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 2.95Å; N90-R94 PolarHBondContact O-N 2.84Å |
| 91 | E | 96.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 109.1 Ų | 109.1 | 31% | 0.308 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -47.7 | 175 | -74.8 | 175.1 | 170.7 | 0 | 0 | 109.9 | R87 E88 Q93 R94 D95 | R87-E91 HydrophobicContact CG-CG 4.35Å; R87-E91 IonicContact CZ-OE1 3.2Å; R87-E91 IonicContact NE-OE1 2.72Å; R87-E91 PolarHBondContact NE-OE1 3.23Å; R87-E91 IonicContact NE-OE2 3.82Å; R87-E91 IonicContact NH2-OE1 2.81Å; R87-E91 PolarHBondContact NH2-OE1 3.44Å; R87-E91 WeakPolarHBondContact O-CG 3.43Å; R87-E91 PolarHBondContact O-N 2.97Å; E88-E91 PolarHBondContact O-N 3.37Å; E88-E91 VanDerWaalsContact O-N 3.13Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.34Å; E91-R94 PolarHBondContact O-N 2.95Å; E91-R94 VanDerWaalsContact O-N 3.08Å; E91-D95 WeakPolarHBondContact O-CB 3.16Å; E91-D95 VanDerWaalsContact O-CG 3.22Å; E91-D95 PolarHBondContact O-N 3.05Å |
| 92 | E | 95.6 | Very high | 94.8 | Very high | 113 Ų | 113 | 111.9 Ų | 111.9 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.3 | -46.8 | 174.2 | -74.4 | 174.7 | 177 | 0 | 0 | 111.8 | E88 R94 D95 E96 | E88-E92 WeakPolarHBondContact O-CB 3.34Å; E88-E92 WeakPolarHBondContact O-CG 3.25Å; E88-E92 PolarHBondContact O-N 2.9Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.77Å; E92-D95 PolarHBondContact O-N 3.23Å; E92-E96 WeakPolarHBondContact O-CB 3.35Å; E92-E96 VanDerWaalsContact O-CG 3.3Å; E92-E96 WeakPolarHBondContact O-CG 3.42Å; E92-E96 PolarHBondContact O-N 3.5Å |
| 93 | Q | 93.6 | Very high | 94.4 | Very high | 86 Ų | 86 | 115.9 Ų | 115.9 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 178 | -72.3 | -62.2 | -76.8 | 0 | 0 | 113.3 | Y89 E91 E96 Y97 | Y89-Q93 HydrophobicContact CD1-CG 4.44Å; Y89-Q93 HydrophobicContact CE1-CG 4.02Å; Y89-Q93 HydrophobicContact CE2-CG 4.28Å; Y89-Q93 VanDerWaalsContact O-CG 3.24Å; Y89-Q93 WeakPolarHBondContact O-CG 3.29Å; Y89-Q93 PolarHBondContact O-N 3.44Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.34Å; Q93-E96 PolarHBondContact NE2-OE2 2.91Å; Q93-Y97 PolarHBondContact O-N 3.4Å |
| 94 | R | 94.3 | Very high | 94.1 | Very high | 140 Ų | 140 | 118.1 Ų | 118.1 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.8 | -44.4 | 176.1 | -167.2 | -172.1 | 71.1 | -158.8 | -5.4 | 110.8 | N90 E91 E92 Y97 E98 | N90-R94 PolarHBondContact O-N 2.84Å; E91-R94 PolarHBondContact O-N 2.95Å; E91-R94 VanDerWaalsContact O-N 3.08Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.77Å; R94-Y97 WeakPolarHBondContact O-CB 3.32Å; R94-Y97 PolarHBondContact O-N 3.36Å; R94-E98 IonicContact NE-OE1 3.41Å; R94-E98 PolarHBondContact NE-OE1 3.28Å; R94-E98 WeakPolarHBondContact O-CG 3.3Å; R94-E98 PolarHBondContact O-N 2.95Å |
| 95 | D | 96 | Very high | 93.8 | Very high | 82 Ų | 82 | 120.4 Ų | 120.4 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | -177.7 | -67.6 | -4.7 | 0 | 0 | 0 | 111 | E91 E92 Y97 E98 N99 | E91-D95 WeakPolarHBondContact O-CB 3.16Å; E91-D95 VanDerWaalsContact O-CG 3.22Å; E91-D95 PolarHBondContact O-N 3.05Å; E92-D95 PolarHBondContact O-N 3.23Å; D95-Y97 VanDerWaalsContact C-N 3.33Å; D95-Y97 PolarHBondContact O-N 2.85Å; D95-E98 PolarHBondContact O-N 3.44Å; D95-N99 WeakPolarHBondContact O-CB 3.43Å; D95-N99 PolarHBondContact O-N 3.23Å |
| 96 | E | 93.7 | Very high | 93.7 | Very high | 105 Ų | 105 | 117.1 Ų | 117.1 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 170.9 | -77.8 | 176.8 | 179.3 | 0 | 0 | 111.5 | E92 Q93 N99 Y100 | E92-E96 WeakPolarHBondContact O-CB 3.35Å; E92-E96 VanDerWaalsContact O-CG 3.3Å; E92-E96 WeakPolarHBondContact O-CG 3.42Å; E92-E96 PolarHBondContact O-N 3.5Å; Q93-E96 PolarHBondContact NE2-OE2 2.91Å; E96-N99 PolarHBondContact O-N 3.14Å; E96-Y100 WeakPolarHBondContact O-CD2 3.45Å; E96-Y100 PolarHBondContact O-N 2.99Å |
| 97 | Y | 92.3 | Very high | 93.5 | Very high | 152 Ų | 152 | 110.1 Ų | 110.1 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | 178.9 | 178.7 | -102.1 | 0 | 0 | 0 | 112.5 | Q93 R94 D95 N99 Y100 L101 | Q93-Y97 PolarHBondContact O-N 3.4Å; R94-Y97 WeakPolarHBondContact O-CB 3.32Å; R94-Y97 PolarHBondContact O-N 3.36Å; D95-Y97 VanDerWaalsContact C-N 3.33Å; D95-Y97 PolarHBondContact O-N 2.85Å; Y97-N99 VanDerWaalsContact C-N 3.32Å; Y97-Y100 PolarHBondContact O-N 3.32Å; Y97-L101 HydrophobicContact CD1-CD1 4.02Å; Y97-L101 HydrophobicContact CE1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CG 4.25Å; Y97-L101 HydrophobicContact CE2-CD1 4.42Å; Y97-L101 WeakPolarHBondContact O-CG 3.23Å; Y97-L101 PolarHBondContact O-N 2.93Å; Y97-L101 VanDerWaalsContact O-N 3.16Å |
| 98 | E | 92.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 107.8 Ų | 107.8 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.1 | -73.1 | 179.4 | -166.7 | 0 | 0 | 111.3 | R94 D95 L101 E102 | R94-E98 IonicContact NE-OE1 3.41Å; R94-E98 PolarHBondContact NE-OE1 3.28Å; R94-E98 WeakPolarHBondContact O-CG 3.3Å; R94-E98 PolarHBondContact O-N 2.95Å; D95-E98 PolarHBondContact O-N 3.44Å; E98-L101 PolarHBondContact O-N 2.82Å; E98-E102 PolarHBondContact O-N 2.93Å |
| 99 | N | 94.4 | Very high | 93 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 176.6 | -170.7 | -44.6 | 0 | 0 | 0 | 111.6 | D95 E96 Y97 L101 E102 E103 | D95-N99 WeakPolarHBondContact O-CB 3.43Å; D95-N99 PolarHBondContact O-N 3.23Å; E96-N99 PolarHBondContact O-N 3.14Å; Y97-N99 VanDerWaalsContact C-N 3.32Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 3.44Å; N99-E102 PolarHBondContact O-N 3.37Å; N99-E102 VanDerWaalsContact O-N 3.12Å; N99-E103 PolarHBondContact O-N 2.98Å; N99-E103 WeakPolarHBondContact OD1-CG 3.41Å; N99-E103 PolarHBondContact OD1-OE1 3.09Å |
| 100 | Y | 90.3 | Very high | 92.8 | Very high | 172 Ų | 172 | 103.5 Ų | 103.5 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.3 | -42.4 | 175.5 | -102.4 | -81.2 | 0 | 0 | 0 | 113 | E96 Y97 D104 | E96-Y100 WeakPolarHBondContact O-CD2 3.45Å; E96-Y100 PolarHBondContact O-N 2.99Å; Y97-Y100 PolarHBondContact O-N 3.32Å; Y100-D104 WeakPolarHBondContact O-CB 3.38Å; Y100-D104 PolarHBondContact O-N 3.22Å |
| 101 | L | 91.2 | Very high | 92.5 | Very high | 84 Ų | 84 | 104.2 Ų | 104.2 | 44% | 0.44 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 178.3 | -71.8 | 178.8 | 0 | 0 | 0 | 112.7 | Y97 E98 N99 R105 | Y97-L101 HydrophobicContact CD1-CD1 4.02Å; Y97-L101 HydrophobicContact CE1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CG 4.25Å; Y97-L101 HydrophobicContact CE2-CD1 4.42Å; Y97-L101 WeakPolarHBondContact O-CG 3.23Å; Y97-L101 PolarHBondContact O-N 2.93Å; Y97-L101 VanDerWaalsContact O-N 3.16Å; E98-L101 PolarHBondContact O-N 2.82Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 3.44Å; L101-R105 WeakPolarHBondContact O-CB 3.26Å; L101-R105 PolarHBondContact O-N 3.17Å; L101-R105 VanDerWaalsContact O-N 3.14Å |
| 102 | E | 90.7 | Very high | 92.4 | Very high | 101 Ų | 101 | 107.3 Ų | 107.3 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.1 | -44.3 | 177 | -163.2 | 72.2 | 177.4 | 0 | 0 | 110.7 | E98 N99 D104 R105 D106 | E98-E102 PolarHBondContact O-N 2.93Å; N99-E102 PolarHBondContact O-N 3.37Å; N99-E102 VanDerWaalsContact O-N 3.12Å; E102-D104 PolarHBondContact O-N 3.48Å; E102-R105 PolarHBondContact O-N 3.14Å; E102-D106 WeakPolarHBondContact O-CB 3.45Å; E102-D106 PolarHBondContact O-N 3.02Å |
| 103 | E | 89.6 | Confident | 92.2 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 175 | -77.5 | -173.6 | 171.6 | 0 | 0 | 111.9 | N99 D106 A107 | N99-E103 PolarHBondContact O-N 2.98Å; N99-E103 WeakPolarHBondContact OD1-CG 3.41Å; N99-E103 PolarHBondContact OD1-OE1 3.09Å; E103-D106 PolarHBondContact O-N 3.4Å; E103-A107 WeakPolarHBondContact O-CB 3.37Å; E103-A107 PolarHBondContact O-N 2.96Å |
| 104 | D | 90.1 | Very high | 92.2 | Very high | 122 Ų | 122 | 107.2 Ų | 107.2 | 65% | 0.652 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 178.6 | -164.2 | 48.5 | 0 | 0 | 0 | 111.3 | Y100 E102 E108 | Y100-D104 WeakPolarHBondContact O-CB 3.38Å; Y100-D104 PolarHBondContact O-N 3.22Å; E102-D104 PolarHBondContact O-N 3.48Å; D104-E108 WeakPolarHBondContact O-CB 3.26Å; D104-E108 PolarHBondContact O-N 2.73Å |
| 105 | R | 92.1 | Very high | 92.1 | Very high | 154 Ų | 154 | 105.7 Ų | 105.7 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 176.4 | -176.5 | -173.4 | -61.4 | -154.4 | 2 | 112.1 | L101 E102 A107 E108 V109 | L101-R105 WeakPolarHBondContact O-CB 3.26Å; L101-R105 PolarHBondContact O-N 3.17Å; L101-R105 VanDerWaalsContact O-N 3.14Å; E102-R105 PolarHBondContact O-N 3.14Å; R105-A107 VanDerWaalsContact C-N 3.33Å; R105-E108 PolarHBondContact O-N 2.94Å; R105-V109 WeakPolarHBondContact O-CB 3.42Å; R105-V109 VanDerWaalsContact O-CG2 3.26Å; R105-V109 WeakPolarHBondContact O-CG2 3.31Å; R105-V109 PolarHBondContact O-N 3.02Å |
| 106 | D | 92.8 | Very high | 91.9 | Very high | 92 Ų | 92 | 105 Ų | 105 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | -179.9 | -82.5 | -10.5 | 0 | 0 | 0 | 111.2 | E102 E103 N110 | E102-D106 WeakPolarHBondContact O-CB 3.45Å; E102-D106 PolarHBondContact O-N 3.02Å; E103-D106 PolarHBondContact O-N 3.4Å; D106-N110 WeakPolarHBondContact O-CB 3.3Å; D106-N110 PolarHBondContact O-N 3.09Å |
| 107 | A | 90.9 | Very high | 91.7 | Very high | 43 Ų | 43 | 105 Ų | 105 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | E103 R105 V109 N110 E111 | E103-A107 WeakPolarHBondContact O-CB 3.37Å; E103-A107 PolarHBondContact O-N 2.96Å; R105-A107 VanDerWaalsContact C-N 3.33Å; A107-V109 PolarHBondContact O-N 2.82Å; A107-N110 PolarHBondContact O-N 2.86Å; A107-E111 WeakPolarHBondContact O-CB 3.37Å; A107-E111 WeakPolarHBondContact O-CG 3.22Å; A107-E111 PolarHBondContact O-N 3.46Å |
| 108 | E | 90.9 | Very high | 91.6 | Very high | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 178.7 | -166.6 | -154 | 167.3 | 0 | 0 | 111.7 | D104 R105 N110 E111 R112 | D104-E108 WeakPolarHBondContact O-CB 3.26Å; D104-E108 PolarHBondContact O-N 2.73Å; R105-E108 PolarHBondContact O-N 2.94Å; E108-N110 PolarHBondContact O-N 3.32Å; E108-E111 PolarHBondContact O-N 2.95Å; E108-R112 VanDerWaalsContact CD-NH2 3.29Å; E108-R112 WeakPolarHBondContact O-CB 3.35Å; E108-R112 PolarHBondContact O-N 3.5Å; E108-R112 IonicContact OE1-CZ 3.79Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.17Å; E108-R112 IonicContact OE2-NH2 3.7Å |
| 109 | V | 92.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 104.7 Ų | 104.7 | 39% | 0.394 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 179.5 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | R105 A107 S113 | R105-V109 WeakPolarHBondContact O-CB 3.42Å; R105-V109 VanDerWaalsContact O-CG2 3.26Å; R105-V109 WeakPolarHBondContact O-CG2 3.31Å; R105-V109 PolarHBondContact O-N 3.02Å; A107-V109 PolarHBondContact O-N 2.82Å; V109-S113 VanDerWaalsContact O-CB 3.26Å; V109-S113 WeakPolarHBondContact O-CB 3.33Å; V109-S113 PolarHBondContact O-N 3.42Å; V109-S113 PolarHBondContact O-OG 3.29Å |
| 110 | N | 92.5 | Very high | 91.2 | Very high | 78 Ų | 78 | 105.2 Ų | 105.2 | 42% | 0.417 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 177.6 | -169.3 | -6.7 | 0 | 0 | 0 | 111.1 | D106 A107 E108 S113 R114 | D106-N110 WeakPolarHBondContact O-CB 3.3Å; D106-N110 PolarHBondContact O-N 3.09Å; A107-N110 PolarHBondContact O-N 2.86Å; E108-N110 PolarHBondContact O-N 3.32Å; N110-S113 PolarHBondContact O-N 3.17Å; N110-R114 VanDerWaalsContact O-CG 3.29Å; N110-R114 WeakPolarHBondContact O-CG 3.26Å; N110-R114 PolarHBondContact O-N 2.87Å; N110-R114 PolarHBondContact OD1-NE 3.06Å |
| 111 | E | 91.2 | Very high | 91 | Very high | 119 Ų | 119 | 104.5 Ų | 104.5 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.9 | -49.9 | 175.8 | -73.9 | -177.8 | 177.7 | 0 | 0 | 111.4 | A107 E108 S113 R114 E115 | A107-E111 WeakPolarHBondContact O-CB 3.37Å; A107-E111 WeakPolarHBondContact O-CG 3.22Å; A107-E111 PolarHBondContact O-N 3.46Å; E108-E111 PolarHBondContact O-N 2.95Å; E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 2.89Å; E111-R114 WeakPolarHBondContact O-CB 3.38Å; E111-R114 PolarHBondContact O-N 3.5Å; E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 2.92Å |
| 112 | R | 92.7 | Very high | 90.6 | Very high | 131 Ų | 131 | 107.8 Ų | 107.8 | 49% | 0.494 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 175.7 | -168.1 | -169.7 | -58 | 155.2 | 0.9 | 112.2 | E108 T116 | E108-R112 VanDerWaalsContact CD-NH2 3.29Å; E108-R112 WeakPolarHBondContact O-CB 3.35Å; E108-R112 PolarHBondContact O-N 3.5Å; E108-R112 IonicContact OE1-CZ 3.79Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.17Å; E108-R112 IonicContact OE2-NH2 3.7Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 WeakPolarHBondContact O-CG2 3.44Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.65Å |
| 113 | S | 93 | Very high | 90.3 | Very high | 51 Ų | 51 | 112 Ų | 112 | 36% | 0.357 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 177.5 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | V109 N110 E111 T116 N117 | V109-S113 VanDerWaalsContact O-CB 3.26Å; V109-S113 WeakPolarHBondContact O-CB 3.33Å; V109-S113 PolarHBondContact O-N 3.42Å; V109-S113 PolarHBondContact O-OG 3.29Å; N110-S113 PolarHBondContact O-N 3.17Å; E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 2.89Å; S113-T116 WeakPolarHBondContact CA-OG1 3.36Å; S113-T116 PolarHBondContact O-OG1 3.49Å; S113-N117 WeakPolarHBondContact O-CB 3.36Å; S113-N117 PolarHBondContact O-N 2.91Å; S113-N117 VanDerWaalsContact O-N 3.14Å; S113-N117 PolarHBondContact O-ND2 3.03Å |
| 114 | R | 92.9 | Very high | 89.8 | Confident | 147 Ų | 147 | 112.8 Ų | 112.8 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.6 | -50.6 | 174.8 | -74.2 | 172.1 | -177.5 | -170.4 | -4 | 111 | N110 E111 T116 N117 E118 | N110-R114 VanDerWaalsContact O-CG 3.29Å; N110-R114 WeakPolarHBondContact O-CG 3.26Å; N110-R114 PolarHBondContact O-N 2.87Å; N110-R114 PolarHBondContact OD1-NE 3.06Å; E111-R114 WeakPolarHBondContact O-CB 3.38Å; E111-R114 PolarHBondContact O-N 3.5Å; R114-T116 VanDerWaalsContact C-N 3.33Å; R114-T116 PolarHBondContact O-N 3.37Å; R114-N117 PolarHBondContact O-N 3.26Å; R114-N117 VanDerWaalsContact O-N 3.17Å; R114-E118 WeakPolarHBondContact O-CG 3.36Å; R114-E118 PolarHBondContact O-N 3.38Å |
| 115 | E | 91.9 | Very high | 89.2 | Confident | 107 Ų | 107 | 112.8 Ų | 112.8 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 178.9 | -70.4 | 178.8 | 174.5 | 0 | 0 | 112 | E111 N117 E118 Q119 | E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 2.92Å; E115-N117 PolarHBondContact O-N 3.26Å; E115-E118 PolarHBondContact O-N 3.02Å; E115-Q119 WeakPolarHBondContact O-CB 3.44Å; E115-Q119 VanDerWaalsContact O-CG 3.3Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.09Å |
| 116 | T | 92.3 | Very high | 88.6 | Confident | 67 Ų | 67 | 109.8 Ų | 109.8 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 178.3 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | R112 S113 R114 L120 | R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 WeakPolarHBondContact O-CG2 3.44Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.65Å; S113-T116 WeakPolarHBondContact CA-OG1 3.36Å; S113-T116 PolarHBondContact O-OG1 3.49Å; R114-T116 VanDerWaalsContact C-N 3.33Å; R114-T116 PolarHBondContact O-N 3.37Å; T116-L120 WeakPolarHBondContact O-CG 3.48Å; T116-L120 PolarHBondContact O-N 2.92Å |
| 117 | N | 89.9 | Confident | 87.6 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 174.3 | -81 | -55.9 | 0 | 0 | 0 | 112.4 | S113 R114 E115 L120 R121 | S113-N117 WeakPolarHBondContact O-CB 3.36Å; S113-N117 PolarHBondContact O-N 2.91Å; S113-N117 VanDerWaalsContact O-N 3.14Å; S113-N117 PolarHBondContact O-ND2 3.03Å; R114-N117 PolarHBondContact O-N 3.26Å; R114-N117 VanDerWaalsContact O-N 3.17Å; E115-N117 PolarHBondContact O-N 3.26Å; N117-L120 PolarHBondContact O-N 3.42Å; N117-R121 VanDerWaalsContact O-CB 3.31Å; N117-R121 WeakPolarHBondContact O-CB 3.45Å; N117-R121 PolarHBondContact O-N 3.02Å |
| 118 | E | 88.5 | Confident | 86.7 | Confident | 130 Ų | 130 | 111.2 Ų | 111.2 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 176 | -74 | 177.6 | -178.2 | 0 | 0 | 111.7 | R114 E115 L120 R121 E122 | R114-E118 WeakPolarHBondContact O-CG 3.36Å; R114-E118 PolarHBondContact O-N 3.38Å; E115-E118 PolarHBondContact O-N 3.02Å; E118-L120 PolarHBondContact O-N 3Å; E118-R121 WeakPolarHBondContact O-CB 3.28Å; E118-R121 PolarHBondContact O-N 3.03Å; E118-E122 PolarHBondContact O-N 2.95Å |
| 119 | Q | 90.2 | Very high | 85.5 | Confident | 121 Ų | 121 | 113.2 Ų | 113.2 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 175.2 | -73.2 | 176.9 | 37.5 | 0 | 0 | 112.2 | E115 R121 E122 Y123 | E115-Q119 WeakPolarHBondContact O-CB 3.44Å; E115-Q119 VanDerWaalsContact O-CG 3.3Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.09Å; Q119-R121 VanDerWaalsContact C-N 3.3Å; Q119-R121 PolarHBondContact O-N 3.32Å; Q119-E122 PolarHBondContact O-N 3.5Å; Q119-Y123 WeakPolarHBondContact O-CB 3.2Å; Q119-Y123 PolarHBondContact O-N 3.34Å |
| 120 | L | 89.1 | Confident | 84.2 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.3 | -78 | 170.4 | 0 | 0 | 0 | 111.2 | T116 N117 E118 E122 Y123 H124 | T116-L120 WeakPolarHBondContact O-CG 3.48Å; T116-L120 PolarHBondContact O-N 2.92Å; N117-L120 PolarHBondContact O-N 3.42Å; E118-L120 PolarHBondContact O-N 3Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.14Å; L120-Y123 PolarHBondContact O-N 3.46Å; L120-H124 WeakPolarHBondContact O-CB 3.49Å; L120-H124 PolarHBondContact O-CD2 2.9Å; L120-H124 PolarHBondContact O-N 3.49Å |
| 121 | R | 85.6 | Confident | 82.8 | Confident | 157 Ų | 157 | 117.2 Ų | 117.2 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.7 | -39.9 | 178.1 | -171.4 | 178.6 | -178.1 | -82.6 | -2.5 | 111.8 | N117 E118 Q119 Y125 | N117-R121 VanDerWaalsContact O-CB 3.31Å; N117-R121 WeakPolarHBondContact O-CB 3.45Å; N117-R121 PolarHBondContact O-N 3.02Å; E118-R121 WeakPolarHBondContact O-CB 3.28Å; E118-R121 PolarHBondContact O-N 3.03Å; Q119-R121 VanDerWaalsContact C-N 3.3Å; Q119-R121 PolarHBondContact O-N 3.32Å; R121-Y125 WeakPolarHBondContact O-CB 3.13Å; R121-Y125 PolarHBondContact O-N 2.86Å; R121-Y125 VanDerWaalsContact O-N 3.09Å |
| 122 | E | 84.5 | Confident | 81.5 | Confident | 153 Ų | 153 | 118.8 Ų | 118.8 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.5 | -45.4 | 176.5 | -172.1 | 175.1 | -165.5 | 0 | 0 | 111.8 | E118 Q119 L120 H124 Y125 | E118-E122 PolarHBondContact O-N 2.95Å; Q119-E122 PolarHBondContact O-N 3.5Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.14Å; E122-H124 VanDerWaalsContact C-N 3.26Å; E122-H124 PolarHBondContact O-N 3.3Å; E122-Y125 VanDerWaalsContact O-CB 3.22Å; E122-Y125 WeakPolarHBondContact O-CB 3.48Å; E122-Y125 PolarHBondContact O-N 3.43Å |
| 123 | Y | 83.5 | Confident | 80.1 | Confident | 189 Ų | 189 | 120.4 Ų | 120.4 | 74% | 0.741 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.7 | -37.8 | 177.4 | -178.5 | -99.8 | 0 | 0 | 0 | 112.5 | Q119 L120 | Q119-Y123 WeakPolarHBondContact O-CB 3.2Å; Q119-Y123 PolarHBondContact O-N 3.34Å; L120-Y123 PolarHBondContact O-N 3.46Å |
| 124 | H | 79.8 | Confident | 78.5 | Confident | 132 Ų | 132 | 127.9 Ų | 127.9 | 61% | 0.611 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 8.7 | 177.1 | -65.9 | -62.5 | 0 | 0 | 0 | 113.8 | L120 E122 D126 | L120-H124 WeakPolarHBondContact O-CB 3.49Å; L120-H124 PolarHBondContact O-CD2 2.9Å; L120-H124 PolarHBondContact O-N 3.49Å; E122-H124 VanDerWaalsContact C-N 3.26Å; E122-H124 PolarHBondContact O-N 3.3Å; H124-D126 PolarHBondContact O-N 3.02Å; H124-D126 VanDerWaalsContact O-N 3.09Å |
| 125 | Y | 76.7 | Confident | 76.8 | Confident | 123 Ų | 123 | 129.7 Ų | 129.7 | 48% | 0.482 | 59% | 0.594 | S | S | . | * | trans | -74.7 | 102.7 | 180 | -164.8 | -108.9 | 0 | 0 | 0 | 110.4 | R121 E122 G127 Y129 | R121-Y125 WeakPolarHBondContact O-CB 3.13Å; R121-Y125 PolarHBondContact O-N 2.86Å; R121-Y125 VanDerWaalsContact O-N 3.09Å; E122-Y125 VanDerWaalsContact O-CB 3.22Å; E122-Y125 WeakPolarHBondContact O-CB 3.48Å; E122-Y125 PolarHBondContact O-N 3.43Å; Y125-G127 PolarHBondContact O-N 3.41Å; Y125-Y129 PolarHBondContact OH-O 3.04Å | ||
| 126 | D | 78.7 | Confident | 75 | Confident | 91 Ų | 91 | 136.1 Ų | 136.1 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | trans | -82.9 | 3.7 | 178.1 | 62.6 | -1.3 | 0 | 0 | 0 | 113.5 | H124 L128 | H124-D126 PolarHBondContact O-N 3.02Å; H124-D126 VanDerWaalsContact O-N 3.09Å; D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.17Å; D126-L128 PolarHBondContact OD1-N 2.97Å; D126-L128 VanDerWaalsContact OD1-N 3.09Å | ||
| 127 | G | 73.5 | Confident | 74.1 | Confident | 52 Ų | 52 | 139.6 Ų | 139.6 | 54% | 0.536 | 63% | 0.634 | S | S | . | * | S | Bend | trans | 70.2 | 1.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y125 | Y125-G127 PolarHBondContact O-N 3.41Š|
| 128 | L | 70.8 | Confident | 73.3 | Confident | 113 Ų | 113 | 141.4 Ų | 141.4 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | trans | -102.6 | 6 | -174.1 | -70.7 | 160.6 | 0 | 0 | 0 | 112.9 | D126 P130 R131 | D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.17Å; D126-L128 PolarHBondContact OD1-N 2.97Å; D126-L128 VanDerWaalsContact OD1-N 3.09Å; L128-P130 CarbonylContact O-C 3.49Å; L128-R131 VanDerWaalsContact O-CG 3.25Å; L128-R131 WeakPolarHBondContact O-CG 3.38Å; L128-R131 PolarHBondContact O-N 3.4Å | ||
| 129 | Y | 66.5 | Low | 72.4 | Confident | 148 Ų | 148 | 142 Ų | 142 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | trans | -106.3 | 130.6 | -177.3 | -149 | -89.6 | 0 | 0 | 0 | 112 | Y125 | Y125-Y129 PolarHBondContact OH-O 3.04Š| ||
| 130 | P | 63.5 | Low | 71.4 | Confident | 75 Ų | 75 | 143.2 Ų | 143.2 | 49% | 0.487 | 64% | 0.644 | S | S | . | * | S | Bend | cis | -85.4 | 134.3 | 8.2 | -4.8 | 24.7 | 0 | 0 | 0 | 111.9 | L128 F132 | L128-P130 CarbonylContact O-C 3.49Å; P130-F132 VanDerWaalsContact C-N 3.26Å; P130-F132 HydrophobicContact CB-CD2 3.91Å; P130-F132 HydrophobicContact CB-CE2 3.53Å; P130-F132 HydrophobicContact CB-CZ 3.88Å; P130-F132 HydrophobicContact CG-CD2 4.26Å; P130-F132 HydrophobicContact CG-CE2 3.56Å; P130-F132 HydrophobicContact CG-CZ 4.06Å; P130-F132 PolarHBondContact O-N 3.44Å |
| 131 | R | 63.2 | Low | 70.2 | Confident | 152 Ų | 152 | 146.1 Ų | 146.1 | 57% | 0.574 | 65% | 0.652 | S | S | * | * | trans | -71.3 | 82.1 | 169.4 | -79.9 | -166.7 | -90.4 | -139.3 | -11.4 | 109.9 | L128 Y133 | L128-R131 VanDerWaalsContact O-CG 3.25Å; L128-R131 WeakPolarHBondContact O-CG 3.38Å; L128-R131 PolarHBondContact O-N 3.4Å; R131-Y133 HydrophobicContact CB-CD2 4.32Å; R131-Y133 HydrophobicContact CB-CE2 4.02Å; R131-Y133 HydrophobicContact CG-CE2 4.41Å; R131-Y133 PolarHBondContact O-N 3.22Å | ||
| 132 | F | 64.9 | Low | 69.2 | Low | 153 Ų | 153 | 145.3 Ų | 145.3 | 67% | 0.671 | 66% | 0.656 | S | S | * | * | trans | -79.8 | 94.3 | 165.7 | -66.1 | -68.2 | 0 | 0 | 0 | 108.9 | P130 W134 | P130-F132 VanDerWaalsContact C-N 3.26Å; P130-F132 HydrophobicContact CB-CD2 3.91Å; P130-F132 HydrophobicContact CB-CE2 3.53Å; P130-F132 HydrophobicContact CB-CZ 3.88Å; P130-F132 HydrophobicContact CG-CD2 4.26Å; P130-F132 HydrophobicContact CG-CE2 3.56Å; P130-F132 HydrophobicContact CG-CZ 4.06Å; P130-F132 PolarHBondContact O-N 3.44Å; F132-W134 PolarHBondContact O-N 3.42Å; F132-W134 VanDerWaalsContact O-N 3.15Å | ||
| 133 | Y | 63.5 | Low | 68.1 | Low | 165 Ų | 165 | 144.8 Ų | 144.8 | 65% | 0.647 | 65% | 0.652 | S | S | * | * | trans | -76.3 | 93.6 | 161.6 | -69.7 | -77.9 | 0 | 0 | 0 | 108 | R131 F135 | R131-Y133 HydrophobicContact CB-CD2 4.32Å; R131-Y133 HydrophobicContact CB-CE2 4.02Å; R131-Y133 HydrophobicContact CG-CE2 4.41Å; R131-Y133 PolarHBondContact O-N 3.22Å; Y133-F135 PolarHBondContact O-N 3.13Å | ||
| 134 | W | 59.8 | Low | 66.9 | Low | 207 Ų | 207 | 141.4 Ų | 141.4 | 78% | 0.784 | 65% | 0.645 | S | S | * | * | trans | -74 | 99.3 | 161.2 | -75 | 91.8 | 0 | 0 | 0 | 107.1 | F132 H136 | F132-W134 PolarHBondContact O-N 3.42Å; F132-W134 VanDerWaalsContact O-N 3.15Å; W134-H136 PolarHBondContact O-N 3.24Å | ||
| 135 | F | 56.9 | Low | 65.9 | Low | 185 Ų | 185 | 142.2 Ų | 142.2 | 81% | 0.811 | 65% | 0.648 | S | S | * | * | trans | -66.8 | 124 | 167 | -71.2 | -86.7 | 0 | 0 | 0 | 108 | Y133 | Y133-F135 PolarHBondContact O-N 3.13Š| ||
| 136 | H | 52.5 | Low | 64.9 | Low | 242 Ų | 242 | 143.9 Ų | 143.9 | 100% | 1.12 | 66% | 0.663 | S | S | * | * | trans | -115.4 | 0 | 167.3 | -72.6 | -14.9 | 0 | 0 | 0 | 108.5 | W134 | W134-H136 PolarHBondContact O-N 3.24Š|
Retrieved 136 of 136 residues in 348.2 ms
(Link to these results)