| 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 | 61.6 | Low | 79.1 | Confident | 210 Ų | 210 | 103.8 Ų | 103.8 | 100% | 1.034 | 59% | 0.586 | S | S | * | * | 0 | -27.2 | 0 | -75.2 | 145.8 | 71.7 | 0 | 0 | 113.3 | |||||
| 2 | S | 61.6 | Low | 79.7 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66 | -38.9 | 179.4 | 47.6 | 0 | 0 | 0 | 0 | 114.6 | F4 S5 T6 | S2-F4 PolarHBondContact O-N 2.96Å; S2-S5 WeakPolarHBondContact O-CB 3.39Å; S2-S5 PolarHBondContact O-N 3.37Å; S2-T6 PolarHBondContact O-N 2.92Å; S2-T6 VanDerWaalsContact O-N 3.12Å |
| 3 | S | 69.8 | Low | 80.3 | Confident | 73 Ų | 73 | 103.3 Ų | 103.3 | 51% | 0.51 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.8 | -32.5 | -175.9 | -44.5 | 0 | 0 | 0 | 0 | 114 | S5 T6 I7 | S3-S5 VanDerWaalsContact C-N 3.32Å; S3-T6 PolarHBondContact O-N 3.11Å; S3-T6 PolarHBondContact O-OG1 3.18Å; S3-I7 VanDerWaalsContact O-CD1 3.29Å; S3-I7 WeakPolarHBondContact O-CD1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.47Å; S3-I7 PolarHBondContact O-N 2.79Å; S3-I7 VanDerWaalsContact O-N 3.16Å |
| 4 | F | 72.4 | Confident | 80.6 | Confident | 162 Ų | 162 | 104.9 Ų | 104.9 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.2 | -34.7 | 175.6 | -66.1 | -73.2 | 0 | 0 | 0 | 111.6 | S2 S8 | S2-F4 PolarHBondContact O-N 2.96Å; F4-S8 PolarHBondContact O-N 3.27Å; F4-S8 PolarHBondContact O-OG 2.92Å |
| 5 | S | 80.1 | Confident | 80.6 | Confident | 68 Ų | 68 | 102.3 Ų | 102.3 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.1 | -35.6 | 176.8 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | S2 S3 S8 V9 | S2-S5 WeakPolarHBondContact O-CB 3.39Å; S2-S5 PolarHBondContact O-N 3.37Å; S3-S5 VanDerWaalsContact C-N 3.32Å; S5-S8 WeakPolarHBondContact CA-OG 3.38Å; S5-S8 PolarHBondContact O-OG 3.28Å; S5-V9 WeakPolarHBondContact O-CB 3.46Å; S5-V9 WeakPolarHBondContact O-CG2 3.18Å; S5-V9 PolarHBondContact O-N 3.47Å |
| 6 | T | 85.3 | Confident | 80.5 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.6 | -37.2 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | S2 S3 V9 S10 | S2-T6 PolarHBondContact O-N 2.92Å; S2-T6 VanDerWaalsContact O-N 3.12Å; S3-T6 PolarHBondContact O-N 3.11Å; S3-T6 PolarHBondContact O-OG1 3.18Å; T6-V9 PolarHBondContact O-N 2.92Å; T6-S10 VanDerWaalsContact O-CB 3.29Å; T6-S10 WeakPolarHBondContact O-CB 3.24Å; T6-S10 PolarHBondContact O-N 2.83Å |
| 7 | I | 87.2 | Confident | 80 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 57% | 0.574 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -44.7 | 174.7 | -65 | 163.1 | 0 | 0 | 0 | 110.6 | S3 S10 F11 | S3-I7 VanDerWaalsContact O-CD1 3.29Å; S3-I7 WeakPolarHBondContact O-CD1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.47Å; S3-I7 PolarHBondContact O-N 2.79Å; S3-I7 VanDerWaalsContact O-N 3.16Å; I7-S10 PolarHBondContact O-N 3.17Å; I7-F11 VanDerWaalsContact O-CB 3.31Å; I7-F11 WeakPolarHBondContact O-CB 3.09Å; I7-F11 PolarHBondContact O-N 3.36Å |
| 8 | S | 86.8 | Confident | 79.4 | Confident | 55 Ų | 55 | 104 Ų | 104 | 39% | 0.385 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65 | -40.9 | 177.6 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | F4 S5 F11 L12 | F4-S8 PolarHBondContact O-N 3.27Å; F4-S8 PolarHBondContact O-OG 2.92Å; S5-S8 WeakPolarHBondContact CA-OG 3.38Å; S5-S8 PolarHBondContact O-OG 3.28Å; S8-F11 PolarHBondContact O-N 2.88Å; S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.48Å |
| 9 | V | 88.6 | Confident | 78.4 | Confident | 76 Ų | 76 | 103.8 Ų | 103.8 | 46% | 0.461 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.1 | -42.4 | 177 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | S5 T6 L12 L13 | S5-V9 WeakPolarHBondContact O-CB 3.46Å; S5-V9 WeakPolarHBondContact O-CG2 3.18Å; S5-V9 PolarHBondContact O-N 3.47Å; T6-V9 PolarHBondContact O-N 2.92Å; V9-L12 PolarHBondContact O-N 2.88Å; V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 3.35Å |
| 10 | S | 87.9 | Confident | 77.5 | Confident | 78 Ų | 78 | 102.5 Ų | 102.5 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.2 | -41 | 177.2 | -162.2 | 0 | 0 | 0 | 0 | 111.9 | T6 I7 L13 F14 | T6-S10 VanDerWaalsContact O-CB 3.29Å; T6-S10 WeakPolarHBondContact O-CB 3.24Å; T6-S10 PolarHBondContact O-N 2.83Å; I7-S10 PolarHBondContact O-N 3.17Å; S10-L13 PolarHBondContact O-N 3.04Å; S10-F14 WeakPolarHBondContact O-CB 3.36Å; S10-F14 PolarHBondContact O-N 2.81Å |
| 11 | F | 88.6 | Confident | 76.5 | Confident | 127 Ų | 127 | 100.7 Ų | 100.7 | 56% | 0.557 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.3 | -42.2 | 175.5 | -174.8 | -106.8 | 0 | 0 | 0 | 112.3 | I7 S8 F14 L15 | I7-F11 VanDerWaalsContact O-CB 3.31Å; I7-F11 WeakPolarHBondContact O-CB 3.09Å; I7-F11 PolarHBondContact O-N 3.36Å; S8-F11 PolarHBondContact O-N 2.88Å; F11-F14 PolarHBondContact O-N 2.9Å; F11-L15 HydrophobicContact CD1-CD1 3.85Å; F11-L15 HydrophobicContact CD1-CG 4.4Å; F11-L15 HydrophobicContact CE1-CD1 3.42Å; F11-L15 VanDerWaalsContact CE1-CD1 3.42Å; F11-L15 HydrophobicContact CE1-CG 4.11Å; F11-L15 HydrophobicContact CZ-CD1 3.91Å; F11-L15 HydrophobicContact CZ-CD2 4.34Å; F11-L15 HydrophobicContact CZ-CG 4.22Å; F11-L15 WeakPolarHBondContact O-CG 3.2Å; F11-L15 PolarHBondContact O-N 3.4Å |
| 12 | L | 87.1 | Confident | 76.2 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 175.3 | -72.7 | 170.9 | 0 | 0 | 0 | 112.1 | S8 V9 L15 A16 | S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.48Å; V9-L12 PolarHBondContact O-N 2.88Å; L12-L15 PolarHBondContact O-N 2.76Å; L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 2.66Å |
| 13 | L | 86.9 | Confident | 75.9 | Confident | 91 Ų | 91 | 100 Ų | 100 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.4 | -47.4 | 172.3 | -91.3 | 159.6 | 0 | 0 | 0 | 110.9 | V9 S10 L15 A16 F17 | V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 3.35Å; S10-L13 PolarHBondContact O-N 3.04Å; L13-L15 PolarHBondContact O-N 3.37Å; L13-A16 PolarHBondContact O-N 2.98Å; L13-A16 VanDerWaalsContact O-N 3.15Å; L13-F17 HydrophobicContact CD2-CD2 4.35Å; L13-F17 HydrophobicContact CD2-CE2 3.6Å; L13-F17 HydrophobicContact CD2-CZ 4.41Å; L13-F17 WeakPolarHBondContact O-CD2 3.27Å; L13-F17 PolarHBondContact O-N 3.11Å |
| 14 | F | 85 | Confident | 75 | Confident | 126 Ų | 126 | 106.3 Ų | 106.3 | 55% | 0.553 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.4 | -45 | 178.6 | -174.9 | -100.8 | 0 | 0 | 0 | 112.3 | S10 F11 F17 Q18 | S10-F14 WeakPolarHBondContact O-CB 3.36Å; S10-F14 PolarHBondContact O-N 2.81Å; F11-F14 PolarHBondContact O-N 2.9Å; F14-F17 PolarHBondContact O-N 3.17Å; F14-Q18 HydrophobicContact CD1-CG 4.26Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.2Å; F14-Q18 HydrophobicContact CZ-CG 3.89Å; F14-Q18 WeakPolarHBondContact O-CB 3.47Å; F14-Q18 VanDerWaalsContact O-CG 3.24Å; F14-Q18 WeakPolarHBondContact O-CG 3.17Å; F14-Q18 PolarHBondContact O-N 3.47Å; F14-Q18 VanDerWaalsContact O-N 3.07Å |
| 15 | L | 80.9 | Confident | 74.2 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.5 | -45 | 173.8 | -70.6 | 178.1 | 0 | 0 | 0 | 111.5 | F11 L12 L13 F17 Q18 L19 | F11-L15 HydrophobicContact CD1-CD1 3.85Å; F11-L15 HydrophobicContact CD1-CG 4.4Å; F11-L15 HydrophobicContact CE1-CD1 3.42Å; F11-L15 VanDerWaalsContact CE1-CD1 3.42Å; F11-L15 HydrophobicContact CE1-CG 4.11Å; F11-L15 HydrophobicContact CZ-CD1 3.91Å; F11-L15 HydrophobicContact CZ-CD2 4.34Å; F11-L15 HydrophobicContact CZ-CG 4.22Å; F11-L15 WeakPolarHBondContact O-CG 3.2Å; F11-L15 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 2.76Å; L13-L15 PolarHBondContact O-N 3.37Å; L15-F17 PolarHBondContact O-N 3.5Å; L15-Q18 PolarHBondContact O-N 2.93Å; L15-L19 HydrophobicContact CB-CD1 4Å; L15-L19 VanDerWaalsContact O-CB 3.25Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.1Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.98Å |
| 16 | A | 77.6 | Confident | 72.8 | Confident | 61 Ų | 61 | 105.2 Ų | 105.2 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -25 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L12 L13 P20 | L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 2.66Å; L13-A16 PolarHBondContact O-N 2.98Å; L13-A16 VanDerWaalsContact O-N 3.15Å; A16-P20 WeakPolarHBondContact O-CD 3.46Å; A16-P20 VanDerWaalsContact O-CG 3.28Å; A16-P20 WeakPolarHBondContact O-CG 3.42Å |
| 17 | F | 72.4 | Confident | 71.6 | Confident | 152 Ų | 152 | 105.3 Ų | 105.3 | 67% | 0.667 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -87.2 | -28.6 | 173.9 | -76.8 | -68.3 | 0 | 0 | 0 | 113.7 | L13 F14 L15 P20 | L13-F17 HydrophobicContact CD2-CD2 4.35Å; L13-F17 HydrophobicContact CD2-CE2 3.6Å; L13-F17 HydrophobicContact CD2-CZ 4.41Å; L13-F17 WeakPolarHBondContact O-CD2 3.27Å; L13-F17 PolarHBondContact O-N 3.11Å; F14-F17 PolarHBondContact O-N 3.17Å; L15-F17 PolarHBondContact O-N 3.5Å; F17-P20 WeakPolarHBondContact O-CD 3.44Å; F17-P20 WeakPolarHBondContact O-CG 2.93Å |
| 18 | Q | 69.3 | Low | 69.7 | Low | 125 Ų | 125 | 107.7 Ų | 107.7 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -85.1 | -35.2 | -179.9 | -67.7 | -77.7 | 92.4 | 0 | 0 | 113.1 | F14 L15 | F14-Q18 HydrophobicContact CD1-CG 4.26Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.2Å; F14-Q18 HydrophobicContact CZ-CG 3.89Å; F14-Q18 WeakPolarHBondContact O-CB 3.47Å; F14-Q18 VanDerWaalsContact O-CG 3.24Å; F14-Q18 WeakPolarHBondContact O-CG 3.17Å; F14-Q18 PolarHBondContact O-N 3.47Å; F14-Q18 VanDerWaalsContact O-N 3.07Å; L15-Q18 PolarHBondContact O-N 2.93Å |
| 19 | L | 60.7 | Low | 68.2 | Low | 100 Ų | 100 | 115 Ų | 115 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -64.6 | -36 | 179.1 | -71.5 | 161.1 | 0 | 0 | 0 | 115.9 | L15 G21 Q22 T23 | L15-L19 HydrophobicContact CB-CD1 4Å; L15-L19 VanDerWaalsContact O-CB 3.25Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.1Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.98Å; L19-G21 PolarHBondContact O-N 2.9Å; L19-G21 VanDerWaalsContact O-N 3.13Å; L19-Q22 PolarHBondContact O-N 2.93Å; L19-T23 PolarHBondContact O-N 3.31Å |
| 20 | P | 61.1 | Low | 66.9 | Low | 77 Ų | 77 | 118 Ų | 118 | 50% | 0.5 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -66.8 | -14.2 | -179.7 | 23.1 | -33.6 | 0 | 0 | 0 | 113.5 | A16 F17 Q22 | A16-P20 WeakPolarHBondContact O-CD 3.46Å; A16-P20 VanDerWaalsContact O-CG 3.28Å; A16-P20 WeakPolarHBondContact O-CG 3.42Å; F17-P20 WeakPolarHBondContact O-CD 3.44Å; F17-P20 WeakPolarHBondContact O-CG 2.93Å; P20-Q22 VanDerWaalsContact C-N 3.35Å |
| 21 | G | 56.5 | Low | 66 | Low | 66 Ų | 66 | 118.7 Ų | 118.7 | 68% | 0.68 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -74.5 | -20.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L19 | L19-G21 PolarHBondContact O-N 2.9Å; L19-G21 VanDerWaalsContact O-N 3.13Å |
| 22 | Q | 55.3 | Low | 65.2 | Low | 180 Ų | 180 | 116.7 Ų | 116.7 | 84% | 0.841 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -16.8 | 179.4 | -63.9 | -154.2 | -11.8 | 0 | 0 | 113.7 | L19 P20 R24 | L19-Q22 PolarHBondContact O-N 2.93Å; P20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-R24 PolarHBondContact O-N 2.74Å |
| 23 | T | 54.3 | Low | 64.9 | Low | 107 Ų | 107 | 113.8 Ų | 113.8 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | trans | -90.3 | 51.5 | 170.3 | 62 | 0 | 0 | 0 | 0 | 110.9 | L19 A25 | L19-T23 PolarHBondContact O-N 3.31Å; T23-A25 PolarHBondContact O-N 3.12Å | ||
| 24 | R | 50.8 | Low | 64.8 | Low | 204 Ų | 204 | 116.2 Ų | 116.2 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | trans | -73.2 | 94.5 | 155.7 | -139 | 179.5 | -166.3 | 169.1 | 2.9 | 104.4 | Q22 N26 | Q22-R24 PolarHBondContact O-N 2.74Å; R24-N26 PolarHBondContact O-N 2.93Å | ||
| 25 | A | 56.2 | Low | 64.9 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | trans | -54.7 | 99.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 104.1 | T23 P27 | T23-A25 PolarHBondContact O-N 3.12Å; A25-P27 WeakPolarHBondContact O-CD 3.03Å | ||
| 26 | N | 49.4 | Very low | 65.3 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | trans | -57.1 | 111.5 | 173.8 | -79.8 | -66.1 | 0 | 0 | 0 | 104.4 | R24 M28 | R24-N26 PolarHBondContact O-N 2.93Å; N26-M28 PolarHBondContact O-N 3.28Å | ||
| 27 | P | 60 | Low | 65.9 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 59% | 0.591 | 64% | 0.636 | S | S | * | * | trans | -57.6 | 121.8 | 167.1 | 25.9 | -30.4 | 0 | 0 | 0 | 104.5 | A25 Y29 | A25-P27 WeakPolarHBondContact O-CD 3.03Å; P27-Y29 HydrophobicContact CB-CD2 4.25Å; P27-Y29 PolarHBondContact O-N 2.94Å | ||
| 28 | M | 48.3 | Very low | 66.9 | Low | 163 Ų | 163 | 113.3 Ų | 113.3 | 80% | 0.803 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -69 | 44.1 | 171.5 | -77.8 | -82.2 | 155 | 0 | 0 | 110.2 | N26 N30 | N26-M28 PolarHBondContact O-N 3.28Å; M28-N30 VanDerWaalsContact C-N 3.3Å |
| 29 | Y | 56 | Low | 68 | Low | 209 Ų | 209 | 111.9 Ų | 111.9 | 82% | 0.82 | 63% | 0.626 | S | S | * | * | trans | -99 | 68.7 | 150.1 | -67 | -80.8 | 0 | 0 | 0 | 105 | P27 A31 | P27-Y29 HydrophobicContact CB-CD2 4.25Å; P27-Y29 PolarHBondContact O-N 2.94Å; Y29-A31 PolarHBondContact O-N 2.82Å | ||
| 30 | N | 61.2 | Low | 69.6 | Low | 139 Ų | 139 | 113 Ų | 113 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | -58.9 | 100.3 | 153.1 | -98.3 | -41.9 | 0 | 0 | 0 | 104 | M28 V32 | M28-N30 VanDerWaalsContact C-N 3.3Å; N30-V32 PolarHBondContact O-N 3.2Å | ||
| 31 | A | 68 | Low | 71.2 | Confident | 91 Ų | 91 | 115 Ų | 115 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 117.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | Y29 S33 | Y29-A31 PolarHBondContact O-N 2.82Å; A31-S33 PolarHBondContact O-N 3.31Å |
| 32 | V | 72.6 | Confident | 73 | Confident | 85 Ų | 85 | 115.9 Ų | 115.9 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -48.8 | 121.1 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 106.4 | N30 D36 L37 | N30-V32 PolarHBondContact O-N 3.2Å; V32-D36 HydrophobicContact CG1-CB 3.75Å; V32-L37 HydrophobicContact CG1-CD1 4.41Å; V32-L37 HydrophobicContact CG1-CG 3.84Å |
| 33 | S | 81.2 | Confident | 74.9 | Confident | 50 Ų | 50 | 112.3 Ų | 112.3 | 35% | 0.35 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 151.8 | -176.3 | 74.7 | 0 | 0 | 0 | 0 | 108.6 | A31 A35 D36 L37 | A31-S33 PolarHBondContact O-N 3.31Å; S33-A35 PolarHBondContact O-N 3.14Å; S33-A35 VanDerWaalsContact O-N 3.09Å; S33-D36 WeakPolarHBondContact CB-OD2 3.44Å; S33-D36 PolarHBondContact N-OD2 2.61Å; S33-D36 VanDerWaalsContact N-OD2 3.13Å; S33-D36 PolarHBondContact O-N 3.34Å; S33-D36 PolarHBondContact OG-N 3.47Å; S33-D36 PolarHBondContact OG-OD2 3.18Å; S33-L37 PolarHBondContact O-N 2.86Å; S33-L37 VanDerWaalsContact O-N 3.08Å |
| 34 | N | 83.4 | Confident | 76.8 | Confident | 142 Ų | 142 | 112.7 Ų | 112.7 | 76% | 0.759 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.6 | -25.6 | 176 | -77.5 | -70.9 | 0 | 0 | 0 | 112.2 | M38 | N34-M38 PolarHBondContact O-N 3.19Å |
| 35 | A | 87.1 | Confident | 78.9 | Confident | 63 Ų | 63 | 106.7 Ų | 106.7 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.3 | -49.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S33 L37 M38 D39 | S33-A35 PolarHBondContact O-N 3.14Å; S33-A35 VanDerWaalsContact O-N 3.09Å; A35-L37 VanDerWaalsContact C-N 3.28Å; A35-L37 PolarHBondContact O-N 3Å; A35-M38 WeakPolarHBondContact O-CB 3.19Å; A35-M38 PolarHBondContact O-N 3.36Å; A35-D39 PolarHBondContact O-N 3.36Å |
| 36 | D | 89.4 | Confident | 80.6 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 40% | 0.401 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.7 | -39.1 | 178.2 | -55.3 | -42.9 | 0 | 0 | 0 | 111.5 | V32 S33 M38 D39 F40 | V32-D36 HydrophobicContact CG1-CB 3.75Å; S33-D36 WeakPolarHBondContact CB-OD2 3.44Å; S33-D36 PolarHBondContact N-OD2 2.61Å; S33-D36 VanDerWaalsContact N-OD2 3.13Å; S33-D36 PolarHBondContact O-N 3.34Å; S33-D36 PolarHBondContact OG-N 3.47Å; S33-D36 PolarHBondContact OG-OD2 3.18Å; D36-M38 VanDerWaalsContact C-N 3.34Å; D36-M38 PolarHBondContact O-N 2.02Å; D36-D39 PolarHBondContact O-N 2.96Å; D36-F40 WeakPolarHBondContact O-CD2 2.95Å; D36-F40 PolarHBondContact O-N 3.25Å |
| 37 | L | 90.9 | Very high | 82.5 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62 | -39.6 | 174.8 | -93.7 | 163.9 | 0 | 0 | 0 | 112.6 | V32 S33 A35 K41 | V32-L37 HydrophobicContact CG1-CD1 4.41Å; V32-L37 HydrophobicContact CG1-CG 3.84Å; S33-L37 PolarHBondContact O-N 2.86Å; S33-L37 VanDerWaalsContact O-N 3.08Å; A35-L37 VanDerWaalsContact C-N 3.28Å; A35-L37 PolarHBondContact O-N 3Å; L37-K41 PolarHBondContact O-N 2.75Å |
| 38 | M | 92.3 | Very high | 83.9 | Confident | 107 Ų | 107 | 108.4 Ų | 108.4 | 53% | 0.527 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.8 | -40.2 | 176.8 | -167.8 | 65.5 | 72.4 | 0 | 0 | 111.1 | N34 A35 D36 K41 N42 | N34-M38 PolarHBondContact O-N 3.19Å; A35-M38 WeakPolarHBondContact O-CB 3.19Å; A35-M38 PolarHBondContact O-N 3.36Å; D36-M38 VanDerWaalsContact C-N 3.34Å; D36-M38 PolarHBondContact O-N 2.02Å; M38-K41 WeakPolarHBondContact O-CB 3.41Å; M38-K41 PolarHBondContact O-N 3.15Å; M38-K41 HydrophobicContact SD-CD 4.41Å; M38-N42 PolarHBondContact O-N 3.17Å; M38-N42 PolarHBondContact O-ND2 2.81Å; M38-N42 VanDerWaalsContact O-ND2 3.11Å |
| 39 | D | 93.8 | Very high | 85.6 | Confident | 94 Ų | 94 | 108.2 Ų | 108.2 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -42.5 | 176.1 | -71.9 | -16.8 | 0 | 0 | 0 | 111.7 | A35 D36 K41 N42 L43 | A35-D39 PolarHBondContact O-N 3.36Å; D36-D39 PolarHBondContact O-N 2.96Å; D39-K41 VanDerWaalsContact C-N 3.31Å; D39-K41 PolarHBondContact O-N 3.15Å; D39-N42 PolarHBondContact O-N 3.05Å; D39-L43 WeakPolarHBondContact O-CG 3.2Å; D39-L43 PolarHBondContact O-N 3.06Å |
| 40 | F | 94.4 | Very high | 86.9 | Confident | 125 Ų | 125 | 104.7 Ų | 104.7 | 55% | 0.548 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.6 | -40.6 | 172.8 | -80.8 | -61.5 | 0 | 0 | 0 | 112.4 | D36 L43 L44 | D36-F40 WeakPolarHBondContact O-CD2 2.95Å; D36-F40 PolarHBondContact O-N 3.25Å; F40-L43 PolarHBondContact O-N 3.04Å; F40-L44 WeakPolarHBondContact O-CG 3.41Å; F40-L44 PolarHBondContact O-N 3.4Å |
| 41 | K | 94 | Very high | 87.4 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 175.4 | -179.2 | 177.1 | 173.5 | 174.3 | 0 | 111.5 | L37 M38 D39 L43 L44 D45 | L37-K41 PolarHBondContact O-N 2.75Å; M38-K41 WeakPolarHBondContact O-CB 3.41Å; M38-K41 PolarHBondContact O-N 3.15Å; M38-K41 HydrophobicContact SD-CD 4.41Å; D39-K41 VanDerWaalsContact C-N 3.31Å; D39-K41 PolarHBondContact O-N 3.15Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.05Å; K41-L44 PolarHBondContact O-N 2.89Å; K41-L44 VanDerWaalsContact O-N 3.14Å; K41-D45 PolarHBondContact O-N 3.13Å |
| 42 | N | 94.7 | Very high | 87.1 | Confident | 85 Ų | 85 | 104.5 Ų | 104.5 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 178.2 | -65.7 | -34.2 | 0 | 0 | 0 | 112.1 | M38 D39 H46 | M38-N42 PolarHBondContact O-N 3.17Å; M38-N42 PolarHBondContact O-ND2 2.81Å; M38-N42 VanDerWaalsContact O-ND2 3.11Å; D39-N42 PolarHBondContact O-N 3.05Å; N42-H46 WeakPolarHBondContact O-CB 3.08Å; N42-H46 PolarHBondContact O-N 3.23Å; N42-H46 VanDerWaalsContact O-N 3.16Å |
| 43 | L | 95.4 | Very high | 86.5 | Confident | 106 Ų | 106 | 108 Ų | 108 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.7 | -41.4 | 176.4 | -71.7 | 173.1 | 0 | 0 | 0 | 112.3 | D39 F40 K41 H46 L47 | D39-L43 WeakPolarHBondContact O-CG 3.2Å; D39-L43 PolarHBondContact O-N 3.06Å; F40-L43 PolarHBondContact O-N 3.04Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.05Å; L43-H46 PolarHBondContact O-N 3.5Å; L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 2.98Å |
| 44 | L | 94.6 | Very high | 85.3 | Confident | 114 Ų | 114 | 114 Ų | 114 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -45.1 | 177.2 | -72.6 | 173.8 | 0 | 0 | 0 | 111.5 | F40 K41 H46 L47 E48 | F40-L44 WeakPolarHBondContact O-CG 3.41Å; F40-L44 PolarHBondContact O-N 3.4Å; K41-L44 PolarHBondContact O-N 2.89Å; K41-L44 VanDerWaalsContact O-N 3.14Å; L44-H46 VanDerWaalsContact C-N 3.26Å; L44-H46 PolarHBondContact O-N 3.49Å; L44-L47 WeakPolarHBondContact O-CB 2.93Å; L44-L47 PolarHBondContact O-N 3.32Å; L44-E48 PolarHBondContact O-N 3.34Å |
| 45 | D | 94.3 | Very high | 83.8 | Confident | 79 Ų | 79 | 113.6 Ų | 113.6 | 42% | 0.422 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.4 | -40.7 | 177.5 | -69.5 | -9 | 0 | 0 | 0 | 110.9 | K41 L47 E48 E49 | K41-D45 PolarHBondContact O-N 3.13Å; D45-L47 PolarHBondContact O-N 2.88Å; D45-E48 PolarHBondContact O-N 3Å; D45-E49 PolarHBondContact O-N 2.93Å |
| 46 | H | 92 | Very high | 82.2 | Confident | 91 Ų | 91 | 118.3 Ų | 118.3 | 42% | 0.421 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.2 | -27.3 | 177.4 | -179.4 | -106 | 0 | 0 | 0 | 113.6 | N42 L43 L44 K50 | N42-H46 WeakPolarHBondContact O-CB 3.08Å; N42-H46 PolarHBondContact O-N 3.23Å; N42-H46 VanDerWaalsContact O-N 3.16Å; L43-H46 PolarHBondContact O-N 3.5Å; L44-H46 VanDerWaalsContact C-N 3.26Å; L44-H46 PolarHBondContact O-N 3.49Å; H46-K50 WeakPolarHBondContact CE1-CE 3.37Å; H46-K50 WeakPolarHBondContact NE2-CE 3.49Å; H46-K50 WeakPolarHBondContact O-CB 3.07Å; H46-K50 VanDerWaalsContact O-CG 3.31Å; H46-K50 WeakPolarHBondContact O-CG 3.44Å; H46-K50 PolarHBondContact O-N 3.32Å |
| 47 | L | 89.8 | Confident | 80.2 | Confident | 107 Ų | 107 | 121.6 Ų | 121.6 | 56% | 0.56 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.8 | -37.7 | 171.2 | -73.1 | 174.8 | 0 | 0 | 0 | 111.3 | L43 L44 D45 E49 K50 M51 | L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 2.98Å; L44-L47 WeakPolarHBondContact O-CB 2.93Å; L44-L47 PolarHBondContact O-N 3.32Å; D45-L47 PolarHBondContact O-N 2.88Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-K50 CarbonylContact O-C 3.57Å; L47-K50 PolarHBondContact O-N 3.14Å; L47-K50 VanDerWaalsContact O-N 3.13Å; L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 2.99Å |
| 48 | E | 88.3 | Confident | 78 | Confident | 136 Ų | 136 | 121.4 Ų | 121.4 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.6 | -37.6 | 173.4 | -173.9 | 174.2 | 175.7 | 0 | 0 | 112 | L44 D45 K50 M51 | L44-E48 PolarHBondContact O-N 3.34Å; D45-E48 PolarHBondContact O-N 3Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.46Å; E48-M51 HydrophobicContact CB-SD 4.39Å; E48-M51 HydrophobicContact CG-SD 4.39Å; E48-M51 WeakPolarHBondContact O-CG 3.37Å |
| 49 | E | 84.8 | Confident | 76.5 | Confident | 160 Ų | 160 | 121.1 Ų | 121.1 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.7 | -29.8 | 173.2 | -169 | -173.3 | 168.2 | 0 | 0 | 112.6 | D45 L47 | D45-E49 PolarHBondContact O-N 2.93Å; L47-E49 VanDerWaalsContact C-N 3.31Å |
| 50 | K | 82.5 | Confident | 74 | Confident | 135 Ų | 135 | 122.9 Ų | 122.9 | 59% | 0.587 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -92 | -15 | -176.6 | -77.7 | -170.8 | -173.9 | -67.9 | 0 | 114.9 | H46 L47 E48 P52 | H46-K50 WeakPolarHBondContact CE1-CE 3.37Å; H46-K50 WeakPolarHBondContact NE2-CE 3.49Å; H46-K50 WeakPolarHBondContact O-CB 3.07Å; H46-K50 VanDerWaalsContact O-CG 3.31Å; H46-K50 WeakPolarHBondContact O-CG 3.44Å; H46-K50 PolarHBondContact O-N 3.32Å; L47-K50 CarbonylContact O-C 3.57Å; L47-K50 PolarHBondContact O-N 3.14Å; L47-K50 VanDerWaalsContact O-N 3.13Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.46Å; K50-P52 WeakPolarHBondContact O-CD 3.33Å |
| 51 | M | 72.9 | Confident | 71.8 | Confident | 126 Ų | 126 | 125.2 Ų | 125.2 | 62% | 0.621 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -68.9 | 113.9 | 170.3 | 47.3 | -160.5 | -72.2 | 0 | 0 | 107.2 | L47 E48 L53 | L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 2.99Å; E48-M51 HydrophobicContact CB-SD 4.39Å; E48-M51 HydrophobicContact CG-SD 4.39Å; E48-M51 WeakPolarHBondContact O-CG 3.37Å; M51-L53 PolarHBondContact O-N 3.29Å |
| 52 | P | 61.3 | Low | 69.4 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | trans | -56.1 | 122.9 | 173.6 | 24.3 | -32 | 0 | 0 | 0 | 106.8 | K50 E54 | K50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 PolarHBondContact O-N 3.16Å | ||
| 53 | L | 58.6 | Low | 66.6 | Low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | trans | -59.6 | 93.5 | 175.9 | -137.2 | 141.2 | 0 | 0 | 0 | 106 | M51 D55 | M51-L53 PolarHBondContact O-N 3.29Å; L53-D55 PolarHBondContact O-N 3.2Å | ||
| 54 | E | 56.3 | Low | 64.4 | Low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -63.8 | 96.6 | 167.6 | -58.3 | -86.2 | 123.2 | 0 | 0 | 104.5 | P52 | P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 PolarHBondContact O-N 3.16Å | ||
| 55 | D | 53.5 | Low | 61.8 | Low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | trans | -59.8 | 148.4 | -174.6 | -156.5 | 8.8 | 0 | 0 | 0 | 110.6 | L53 V57 | L53-D55 PolarHBondContact O-N 3.2Å; D55-V57 PolarHBondContact O-N 3.04Å | ||
| 56 | E | 53.2 | Low | 59.3 | Low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | -48.5 | 115.4 | -176.3 | -167.2 | -167.9 | -152 | 0 | 0 | 112.7 | V58 | E56-V58 HydrophobicContact CG-CG2 3.93Š| ||
| 57 | V | 46.5 | Very low | 56.7 | Low | 143 Ų | 143 | 142.6 Ų | 142.6 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | trans | -112.9 | 94.1 | 155.6 | -175 | 0 | 0 | 0 | 0 | 108.2 | D55 | D55-V57 PolarHBondContact O-N 3.04Š| ||
| 58 | V | 45.3 | Very low | 54.8 | Low | 95 Ų | 95 | 146.4 Ų | 146.4 | 58% | 0.576 | 75% | 0.746 | S | S | * | * | trans | -41.9 | 142.4 | 170.2 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | E56 | E56-V58 HydrophobicContact CG-CG2 3.93Š| ||
| 59 | P | 60.5 | Low | 52.6 | Low | 101 Ų | 101 | 148.6 Ų | 148.6 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | trans | -83 | 149.4 | -174.9 | 34.4 | -34.4 | 0 | 0 | 0 | 111.9 | ||||
| 60 | P | 42 | Very low | 51 | Low | 130 Ų | 130 | 145.4 Ų | 145.4 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | trans | -105.9 | 94 | 161.6 | 33.7 | -21.8 | 0 | 0 | 0 | 109.3 | ||||
| 61 | Q | 47 | Very low | 49.1 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -86.6 | 128.1 | 149.5 | -57.3 | -169.7 | 31.3 | 0 | 0 | 106.9 | ||||
| 62 | V | 43.3 | Very low | 47.2 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | trans | 88.6 | 78.4 | 169.8 | -159.7 | 0 | 0 | 0 | 0 | 117 | R64 | V62-R64 HydrophobicContact CG1-CB 4.4Š| ||
| 63 | L | 37.8 | Very low | 46 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -124.7 | 63.7 | 130.2 | -149.5 | 160.6 | 0 | 0 | 0 | 107.8 | ||||
| 64 | R | 47.3 | Very low | 44.9 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -71.9 | 135.4 | 160.1 | -179.4 | -175.9 | 171.3 | 164.5 | 6.9 | 106.3 | V62 | V62-R64 HydrophobicContact CG1-CB 4.4Š| ||
| 65 | E | 41.9 | Very low | 44 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | trans | 77.2 | 87.8 | 170.4 | -67.4 | 149.3 | -155.9 | 0 | 0 | 117.2 | ||||
| 66 | Q | 40.6 | Very low | 43.4 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | 177.9 | 83.2 | 116.2 | -94.7 | 165.2 | 79.8 | 0 | 0 | 110.8 | |||||
| 67 | N | 37.3 | Very low | 42.8 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -154.5 | 80.6 | 143.7 | -150 | -27.9 | 0 | 0 | 0 | 107.3 | ||||
| 68 | E | 49.7 | Very low | 42.6 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -79.5 | 141.5 | 160.7 | -77.1 | -164.5 | 147.9 | 0 | 0 | 108.6 | ||||
| 69 | E | 43 | Very low | 42.7 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 95.7 | 79.4 | 177.8 | -141.3 | 80.1 | -140.4 | 0 | 0 | 115.4 | ||
| 70 | A | 51.1 | Low | 42.2 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | S | Bend | cis | -146.3 | 105.4 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 71 | G | 42.8 | Very low | 42.7 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 71.9 | 57.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 72 | A | 33 | Very low | 42.8 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 62.9 | 82.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 73 | A | 34.5 | Very low | 42.6 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | 4.7 | 125.8 | 128.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 74 | L | 36 | Very low | 43.4 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | 79.5 | 103.3 | 126.6 | -57.5 | 174.6 | 0 | 0 | 0 | 121.5 | |||||
| 75 | S | 37.5 | Very low | 43.2 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | 87 | 151.7 | 120.6 | -75 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 76 | P | 41.8 | Very low | 43.8 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -104.1 | 146 | -134.4 | 37.8 | -32.3 | 0 | 0 | 0 | 113.5 | ||||
| 77 | L | 40.5 | Very low | 44 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -66.1 | 138 | 175.4 | -132.8 | 151.7 | 0 | 0 | 0 | 110.1 | E79 | L77-E79 PolarHBondContact O-N 3.43Š| ||
| 78 | P | 42.3 | Very low | 44.7 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 93.4 | 171 | -16.6 | 30.5 | 0 | 0 | 0 | 110.2 | V80 | P78-V80 PolarHBondContact O-N 3.31Š| ||
| 79 | E | 46.7 | Very low | 44.8 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -62.6 | 120.6 | 168.1 | -137 | 102.4 | -164.3 | 0 | 0 | 108.6 | L77 | L77-E79 PolarHBondContact O-N 3.43Š| ||
| 80 | V | 50.1 | Low | 44.6 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -44.4 | 130.6 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 111 | P78 P82 | P78-V80 PolarHBondContact O-N 3.31Å; V80-P82 VanDerWaalsContact O-CD 3.3Å; V80-P82 WeakPolarHBondContact O-CD 3.07Å | ||
| 81 | P | 53 | Low | 44.9 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | trans | -58.8 | 123.4 | 177.6 | -24.8 | 33.8 | 0 | 0 | 0 | 111.6 | W83 | P81-W83 PolarHBondContact O-N 2.66Š| ||
| 82 | P | 47.6 | Very low | 45 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 115.1 | 171.1 | -11.9 | 27.4 | 0 | 0 | 0 | 108.2 | V80 T84 | V80-P82 VanDerWaalsContact O-CD 3.3Å; V80-P82 WeakPolarHBondContact O-CD 3.07Å; P82-T84 PolarHBondContact O-N 3.13Å | ||
| 83 | W | 39 | Very low | 46.1 | Very low | 242 Ų | 242 | 137 Ų | 137 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -71.9 | 75.2 | 176.1 | -59.3 | 81.2 | 0 | 0 | 0 | 110.1 | P81 | P81-W83 PolarHBondContact O-N 2.66Š| ||
| 84 | T | 55.8 | Low | 46.3 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -144.2 | 100.8 | 169.7 | 56 | 0 | 0 | 0 | 0 | 109 | P82 | P82-T84 PolarHBondContact O-N 3.13Š| ||
| 85 | G | 42.4 | Very low | 46.9 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -157.5 | 74 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 86 | D | 54.7 | Low | 47.5 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -65.8 | 121.2 | 165.1 | -158.7 | -12.6 | 0 | 0 | 0 | 108 | ||||
| 87 | V | 44.4 | Very low | 48.2 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | -173 | 111.1 | 146.2 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 88 | S | 52.7 | Low | 48.3 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -85.7 | 141.8 | 152.2 | -75.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 89 | P | 51.3 | Low | 48.5 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | -145.1 | 170.7 | 92.6 | 37.1 | -18.7 | 0 | 0 | 0 | 111.2 | |||||
| 90 | A | 39.5 | Very low | 48.6 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | cis | -155.7 | 152.5 | 23.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 91 | Q | 56.8 | Low | 48.7 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 130.7 | 172.4 | 172.8 | 176.1 | -18.1 | 0 | 0 | 112 | ||||
| 92 | R | 46.2 | Very low | 48.4 | Very low | 247 Ų | 247 | 134.6 Ų | 134.6 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -157.9 | 125.5 | 144.3 | -121.7 | -179.4 | -174.4 | -179.1 | 2.2 | 112.6 | ||||
| 93 | D | 54.4 | Low | 48.7 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -59.7 | 145.8 | -177.9 | -57.3 | -73.2 | 0 | 0 | 0 | 114.2 | ||||
| 94 | G | 40.3 | Very low | 49.6 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 169 | 78.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 95 | G | 48.8 | Very low | 49.7 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 32.8 | 129.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 96 | A | 49.4 | Very low | 50.5 | Low | 96 Ų | 96 | 126.3 Ų | 126.3 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 72.6 | 128.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 97 | L | 55.7 | Low | 50.8 | Low | 181 Ų | 181 | 127.9 Ų | 127.9 | 95% | 0.948 | 75% | 0.753 | S | S | * | * | trans | 87 | 111.1 | 167.8 | -48.7 | 177 | 0 | 0 | 0 | 116.6 | ||||
| 98 | G | 43.7 | Very low | 51.6 | Low | 79 Ų | 79 | 124.6 Ų | 124.6 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | trans | 124 | 75.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G100 | G98-G100 PolarHBondContact O-N 3.48Š| ||
| 99 | Q | 46.6 | Very low | 52.2 | Low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -79.2 | 98.7 | 171.3 | -165.8 | 164.9 | -32.7 | 0 | 0 | 109.1 | ||||
| 100 | G | 48.2 | Very low | 52.9 | Low | 39 Ų | 39 | 120.3 Ų | 120.3 | 40% | 0.402 | 71% | 0.705 | S | S | . | * | trans | -80.9 | 158.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G98 W102 | G98-G100 PolarHBondContact O-N 3.48Å; G100-W102 PolarHBondContact O-N 2.96Å | ||
| 101 | P | 51.3 | Low | 54.3 | Low | 126 Ų | 126 | 120.5 Ų | 120.5 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 10.8 | -176.9 | -25.1 | 36.1 | 0 | 0 | 0 | 118.3 | ||
| 102 | W | 46.8 | Very low | 55 | Low | 221 Ų | 221 | 119.4 Ų | 119.4 | 84% | 0.837 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 12.6 | -167.1 | -64 | 100.5 | 0 | 0 | 0 | 115.8 | G100 S104 | G100-W102 PolarHBondContact O-N 2.96Å; W102-S104 PolarHBondContact O-N 3.33Å |
| 103 | D | 55 | Low | 56 | Low | 100 Ų | 100 | 111 Ų | 111 | 54% | 0.535 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | 23.6 | 176.4 | -74.2 | -29.2 | 0 | 0 | 0 | 114.9 | S105 | D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 3.33Å |
| 104 | S | 57.1 | Low | 56.9 | Low | 82 Ų | 82 | 110.2 Ų | 110.2 | 57% | 0.573 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.2 | -23.9 | -177.8 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | W102 S108 | W102-S104 PolarHBondContact O-N 3.33Å; S104-S108 WeakPolarHBondContact O-CB 3.44Å; S104-S108 PolarHBondContact O-N 3Å |
| 105 | S | 58.2 | Low | 58.5 | Low | 80 Ų | 80 | 111.5 Ų | 111.5 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.4 | -46.2 | -176.4 | -170 | 0 | 0 | 0 | 0 | 112.9 | D103 R107 S108 A109 | D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 3.33Å; S105-R107 PolarHBondContact O-N 2.92Å; S105-S108 WeakPolarHBondContact O-CB 3.05Å; S105-S108 PolarHBondContact O-N 2.8Å; S105-S108 VanDerWaalsContact O-N 3.11Å; S105-S108 PolarHBondContact O-OG 2.74Å; S105-A109 PolarHBondContact O-N 2.85Å |
| 106 | D | 60.1 | Low | 59.9 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 66% | 0.663 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.4 | -35.4 | -176.3 | -75 | -21.3 | 0 | 0 | 0 | 113.1 | S108 A109 L110 | D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.07Å; D106-A109 PolarHBondContact O-N 2.99Å; D106-L110 PolarHBondContact O-N 3.11Å; D106-L110 VanDerWaalsContact O-N 3.11Å |
| 107 | R | 60.7 | Low | 61 | Low | 193 Ų | 193 | 114 Ų | 114 | 73% | 0.728 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.6 | -40.9 | 170.1 | -72.7 | -76.1 | -172.2 | 162.5 | 1 | 110.6 | S105 L111 | S105-R107 PolarHBondContact O-N 2.92Å; R107-L111 WeakPolarHBondContact O-CB 3.41Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.01Å |
| 108 | S | 61.9 | Low | 61.6 | Low | 60 Ų | 60 | 111.3 Ų | 111.3 | 42% | 0.42 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.1 | -38.2 | 179 | 86.4 | 0 | 0 | 0 | 0 | 112 | S104 S105 D106 L111 K112 | S104-S108 WeakPolarHBondContact O-CB 3.44Å; S104-S108 PolarHBondContact O-N 3Å; S105-S108 WeakPolarHBondContact O-CB 3.05Å; S105-S108 PolarHBondContact O-N 2.8Å; S105-S108 VanDerWaalsContact O-N 3.11Å; S105-S108 PolarHBondContact O-OG 2.74Å; D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.07Å; S108-L111 PolarHBondContact O-N 3.24Å; S108-K112 WeakPolarHBondContact O-CB 3.13Å; S108-K112 PolarHBondContact O-N 3.08Å |
| 109 | A | 63.8 | Low | 62.9 | Low | 54 Ų | 54 | 113.3 Ų | 113.3 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.7 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S105 D106 K112 S113 | S105-A109 PolarHBondContact O-N 2.85Å; D106-A109 PolarHBondContact O-N 2.99Å; A109-K112 PolarHBondContact O-N 3.04Å; A109-S113 WeakPolarHBondContact O-CB 3.25Å; A109-S113 PolarHBondContact O-N 3.09Å; A109-S113 PolarHBondContact O-OG 3.17Å |
| 110 | L | 65.8 | Low | 63.9 | Low | 89 Ų | 89 | 109.4 Ų | 109.4 | 47% | 0.466 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.9 | -42.7 | 173.9 | -166.5 | 163.9 | 0 | 0 | 0 | 111 | D106 S113 K114 | D106-L110 PolarHBondContact O-N 3.11Å; D106-L110 VanDerWaalsContact O-N 3.11Å; L110-S113 WeakPolarHBondContact CA-OG 3.28Å; L110-S113 PolarHBondContact O-OG 3.05Å; L110-K114 HydrophobicContact CD2-CD 3.78Å; L110-K114 HydrophobicContact CD2-CG 4.26Å; L110-K114 WeakPolarHBondContact O-CB 3.3Å; L110-K114 WeakPolarHBondContact O-CG 3.2Å; L110-K114 PolarHBondContact O-N 3.13Å |
| 111 | L | 69 | Low | 64.6 | Low | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -40.8 | 175.1 | -70.7 | 170.1 | 0 | 0 | 0 | 111.5 | R107 S108 K114 L115 | R107-L111 WeakPolarHBondContact O-CB 3.41Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.01Å; S108-L111 PolarHBondContact O-N 3.24Å; L111-K114 PolarHBondContact O-N 3.32Å; L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 WeakPolarHBondContact O-CG 3.21Å; L111-L115 PolarHBondContact O-N 3.04Å |
| 112 | K | 72.1 | Confident | 64.9 | Low | 147 Ų | 147 | 108.5 Ų | 108.5 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.7 | -34.8 | -178.6 | -157.9 | 170.4 | -174.3 | -178.9 | 0 | 112.1 | S108 A109 R116 | S108-K112 WeakPolarHBondContact O-CB 3.13Å; S108-K112 PolarHBondContact O-N 3.08Å; A109-K112 PolarHBondContact O-N 3.04Å; K112-R116 VanDerWaalsContact O-CB 3.24Å; K112-R116 WeakPolarHBondContact O-CB 3.38Å; K112-R116 PolarHBondContact O-N 3.04Å |
| 113 | S | 67.2 | Low | 65.7 | Low | 69 Ų | 69 | 108.5 Ų | 108.5 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.4 | -39.2 | 171.9 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | A109 L110 A117 | A109-S113 WeakPolarHBondContact O-CB 3.25Å; A109-S113 PolarHBondContact O-N 3.09Å; A109-S113 PolarHBondContact O-OG 3.17Å; L110-S113 WeakPolarHBondContact CA-OG 3.28Å; L110-S113 PolarHBondContact O-OG 3.05Å; S113-A117 WeakPolarHBondContact O-CB 2.92Å; S113-A117 PolarHBondContact O-N 3.01Å |
| 114 | K | 73.5 | Confident | 65.9 | Low | 131 Ų | 131 | 107.9 Ų | 107.9 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.6 | -42.8 | 171.9 | -79.2 | -173.9 | 176.8 | 179 | 0 | 112.7 | L110 L111 A117 L118 | L110-K114 HydrophobicContact CD2-CD 3.78Å; L110-K114 HydrophobicContact CD2-CG 4.26Å; L110-K114 WeakPolarHBondContact O-CB 3.3Å; L110-K114 WeakPolarHBondContact O-CG 3.2Å; L110-K114 PolarHBondContact O-N 3.13Å; L111-K114 PolarHBondContact O-N 3.32Å; K114-A117 PolarHBondContact O-N 3.42Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.91Å |
| 115 | L | 74.4 | Confident | 65.7 | Low | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.2 | -41 | 177.3 | -71.6 | 172.9 | 0 | 0 | 0 | 111.3 | L111 A117 L118 L119 | L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 WeakPolarHBondContact O-CG 3.21Å; L111-L115 PolarHBondContact O-N 3.04Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-L118 PolarHBondContact O-N 3.46Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.93Å |
| 116 | R | 77.1 | Confident | 65.6 | Low | 170 Ų | 170 | 117.4 Ų | 117.4 | 64% | 0.642 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.4 | -46.8 | 171.8 | -175.9 | 176.6 | -68.8 | -174.6 | -2.6 | 110.7 | K112 L118 L119 T120 | K112-R116 VanDerWaalsContact O-CB 3.24Å; K112-R116 WeakPolarHBondContact O-CB 3.38Å; K112-R116 PolarHBondContact O-N 3.04Å; R116-L118 VanDerWaalsContact C-N 3.3Å; R116-L118 PolarHBondContact O-N 3.2Å; R116-L119 PolarHBondContact O-N 3.28Å; R116-T120 HydrophobicContact CG-CG2 4.18Å; R116-T120 WeakPolarHBondContact O-CB 3.4Å; R116-T120 WeakPolarHBondContact O-CG2 3.31Å; R116-T120 PolarHBondContact O-N 2.96Å; R116-T120 PolarHBondContact O-OG1 3.42Å |
| 117 | A | 72.8 | Confident | 65.4 | Low | 55 Ų | 55 | 123.1 Ų | 123.1 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.9 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S113 K114 L115 T120 A121 | S113-A117 WeakPolarHBondContact O-CB 2.92Å; S113-A117 PolarHBondContact O-N 3.01Å; K114-A117 PolarHBondContact O-N 3.42Å; L115-A117 VanDerWaalsContact C-N 3.35Å; A117-T120 PolarHBondContact O-OG1 3.4Å; A117-A121 WeakPolarHBondContact O-CA 3.13Å; A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 2.93Å |
| 118 | L | 69.5 | Low | 65.3 | Low | 126 Ų | 126 | 117.5 Ų | 117.5 | 66% | 0.66 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.6 | -31.8 | 175.6 | -70 | 175.1 | 0 | 0 | 0 | 113.4 | K114 L115 R116 | K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.91Å; L115-L118 PolarHBondContact O-N 3.46Å; R116-L118 VanDerWaalsContact C-N 3.3Å; R116-L118 PolarHBondContact O-N 3.2Å |
| 119 | L | 69 | Low | 65.2 | Low | 120 Ų | 120 | 119 Ų | 119 | 63% | 0.628 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.4 | -32.4 | 177.4 | -70.1 | 172.5 | 0 | 0 | 0 | 112.5 | L115 R116 | L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.93Å; R116-L119 PolarHBondContact O-N 3.28Å |
| 120 | T | 68 | Low | 64.9 | Low | 104 Ų | 104 | 119.1 Ų | 119.1 | 64% | 0.638 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -86.4 | -13.3 | 173.5 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | R116 A117 | R116-T120 HydrophobicContact CG-CG2 4.18Å; R116-T120 WeakPolarHBondContact O-CB 3.4Å; R116-T120 WeakPolarHBondContact O-CG2 3.31Å; R116-T120 PolarHBondContact O-N 2.96Å; R116-T120 PolarHBondContact O-OG1 3.42Å; A117-T120 PolarHBondContact O-OG1 3.4Å |
| 121 | A | 64.2 | Low | 64.5 | Low | 43 Ų | 43 | 119.4 Ų | 119.4 | 36% | 0.355 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -61 | 125.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | A117 R123 | A117-A121 WeakPolarHBondContact O-CA 3.13Å; A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 2.93Å; A121-R123 PolarHBondContact O-N 2.91Å; A121-R123 VanDerWaalsContact O-N 3.12Å |
| 122 | P | 56.8 | Low | 64 | Low | 103 Ų | 103 | 117.1 Ų | 117.1 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | trans | -60.3 | 123 | 177.4 | 24.3 | -31.6 | 0 | 0 | 0 | 108.1 | S124 | P122-S124 PolarHBondContact O-N 3.4Š| ||
| 123 | R | 62.5 | Low | 63.3 | Low | 220 Ų | 220 | 114.1 Ų | 114.1 | 83% | 0.83 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 36.6 | 175.4 | -73.6 | -173.7 | 166.8 | 98.2 | -4.1 | 112.5 | A121 | A121-R123 PolarHBondContact O-N 2.91Å; A121-R123 VanDerWaalsContact O-N 3.12Å |
| 124 | S | 59.7 | Low | 63 | Low | 88 Ų | 88 | 120.6 Ų | 120.6 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 4.9 | -172.3 | 66.4 | 0 | 0 | 0 | 0 | 114.6 | P122 R126 | P122-S124 PolarHBondContact O-N 3.4Å; S124-R126 PolarHBondContact O-N 3.29Å |
| 125 | L | 53.5 | Low | 62.4 | Low | 156 Ų | 156 | 123.3 Ų | 123.3 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | trans | -84.5 | 27.3 | 174 | -89.2 | 168.6 | 0 | 0 | 0 | 114.5 | ||||
| 126 | R | 55.6 | Low | 61.8 | Low | 205 Ų | 205 | 121.9 Ų | 121.9 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | trans | -99.3 | 94 | 154.5 | -98.5 | -163.4 | 177 | -160.9 | 2 | 108.8 | S124 S128 | S124-R126 PolarHBondContact O-N 3.29Å; R126-S128 PolarHBondContact O-N 3.22Å | ||
| 127 | R | 55.8 | Low | 61.7 | Low | 244 Ų | 244 | 124.5 Ų | 124.5 | 92% | 0.921 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -63.1 | 23 | 169 | -74.9 | -173.8 | 179.2 | 177.7 | 0.1 | 114.2 | ||
| 128 | S | 59.3 | Low | 61.1 | Low | 75 Ų | 75 | 130.8 Ų | 130.8 | 52% | 0.524 | 68% | 0.677 | S | S | . | * | trans | -144.8 | 61.1 | 173.3 | 55.1 | 0 | 0 | 0 | 0 | 109.4 | R126 C130 | R126-S128 PolarHBondContact O-N 3.22Å; S128-C130 PolarHBondContact O-N 3.28Å | ||
| 129 | S | 59.8 | Low | 60.9 | Low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -78.7 | 74.4 | 170.6 | -177 | 0 | 0 | 0 | 0 | 109.1 | C146 | S129-C146 PolarHBondContact O-SG 3.07Å; S129-C146 VanDerWaalsContact O-SG 3.36Å | ||
| 130 | C | 58 | Low | 60.4 | Low | 57 Ų | 57 | 125.7 Ų | 125.7 | 39% | 0.385 | 68% | 0.679 | S | S | . | * | trans | -90.3 | 101.8 | 165.7 | -52.4 | 0 | 0 | 0 | 0 | 106 | S128 C146 | S128-C130 PolarHBondContact O-N 3.28Å; C130-C146 WeakPolarHBondContact CA-SG 3.37Å; C130-C146 HydrophobicContact CB-CB 4.14Å; C130-C146 VanDerWaalsContact CB-N 3.35Å; C130-C146 WeakPolarHBondContact CB-SG 3.19Å; C130-C146 PolarHBondContact N-SG 3.33Å; C130-C146 WeakPolarHBondContact SG-CA 3.09Å; C130-C146 WeakPolarHBondContact SG-CB 3.29Å; C130-C146 PolarHBondContact SG-N 3.03Å; C130-C146 CovalentContact SG-SG 2.02Å; C130-C146 PolarHBondContact SG-SG 2.9Å | ||
| 131 | F | 57.1 | Low | 60.1 | Low | 95 Ų | 95 | 129.9 Ų | 129.9 | 42% | 0.417 | 69% | 0.691 | S | S | . | * | S | Bend | trans | 63.8 | 145.8 | -172.4 | -68.9 | -70.2 | 0 | 0 | 0 | 116.5 | S142 G145 | F131-S142 WeakPolarHBondContact CE1-O 3.43Å; F131-S142 WeakPolarHBondContact CE1-OG 3.42Å; F131-S142 WeakPolarHBondContact CZ-O 3.29Å; F131-G145 VanDerWaalsContact CD2-CA 3.45Å |
| 132 | G | 57.8 | Low | 59.9 | Low | 56 Ų | 56 | 130.4 Ų | 130.4 | 58% | 0.577 | 69% | 0.692 | S | S | * | * | trans | 94.8 | 48.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | R134 | G132-R134 PolarHBondContact O-N 2.98Š| ||
| 133 | G | 58.2 | Low | 60.1 | Low | 85 Ų | 85 | 128.2 Ų | 128.2 | 88% | 0.876 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -66.4 | -20.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 134 | R | 61.2 | Low | 60 | Low | 204 Ų | 204 | 125.5 Ų | 125.5 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -147.8 | 148.2 | 175.9 | 50.3 | -175.3 | 176.3 | -101.1 | -0.7 | 108.1 | G132 D136 | G132-R134 PolarHBondContact O-N 2.98Å; R134-D136 PolarHBondContact O-N 3.15Å |
| 135 | M | 59.2 | Low | 59.7 | Low | 188 Ų | 188 | 122.8 Ų | 122.8 | 93% | 0.926 | 68% | 0.675 | S | S | * | * | trans | -69.7 | 109.4 | 179 | -169.3 | 172 | 67.5 | 0 | 0 | 108.8 | ||||
| 136 | D | 63.8 | Low | 59.8 | Low | 74 Ų | 74 | 118.4 Ų | 118.4 | 40% | 0.396 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 136.6 | 172.8 | -70.7 | -33.9 | 0 | 0 | 0 | 109 | R134 S142 | R134-D136 PolarHBondContact O-N 3.15Å; D136-S142 WeakPolarHBondContact OD2-CB 3.47Å; D136-S142 PolarHBondContact OD2-OG 2.94Å |
| 137 | R | 73.2 | Confident | 59.6 | Low | 226 Ų | 226 | 115.4 Ų | 115.4 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 143.1 | 176.3 | -72.5 | 178.7 | 163.3 | 159.7 | -4.9 | 109.8 | G139 A140 | R137-G139 PolarHBondContact O-N 2.91Å; R137-G139 VanDerWaalsContact O-N 3.15Å; R137-A140 PolarHBondContact O-N 3.17Å; R137-A140 VanDerWaalsContact O-N 3.15Å |
| 138 | I | 61.2 | Low | 59.6 | Low | 186 Ų | 186 | 108.8 Ų | 108.8 | 95% | 0.954 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 119.7 | 175.7 | -56.9 | 173.6 | 0 | 0 | 0 | 108.5 | ||
| 139 | G | 64.2 | Low | 59.2 | Low | 80 Ų | 80 | 113.9 Ų | 113.9 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.7 | -10.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R137 Q141 | R137-G139 PolarHBondContact O-N 2.91Å; R137-G139 VanDerWaalsContact O-N 3.15Å; G139-Q141 PolarHBondContact O-N 3.12Å |
| 140 | A | 60.1 | Low | 59.1 | Low | 60 Ų | 60 | 120 Ų | 120 | 50% | 0.496 | 67% | 0.67 | S | S | . | * | trans | -75.5 | 117.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | R137 S142 | R137-A140 PolarHBondContact O-N 3.17Å; R137-A140 VanDerWaalsContact O-N 3.15Å; A140-S142 PolarHBondContact O-N 3.39Å | ||
| 141 | Q | 61.8 | Low | 58.8 | Low | 191 Ų | 191 | 127.3 Ų | 127.3 | 89% | 0.893 | 69% | 0.691 | S | S | * | * | trans | -67.9 | 80.6 | 171.4 | -171.1 | -175 | 8.4 | 0 | 0 | 108.5 | G139 G143 | G139-Q141 PolarHBondContact O-N 3.12Å; Q141-G143 PolarHBondContact O-N 3.16Å | ||
| 142 | S | 58.8 | Low | 58.8 | Low | 55 Ų | 55 | 133.5 Ų | 133.5 | 39% | 0.385 | 71% | 0.711 | S | S | . | * | trans | -74.5 | 101.4 | 173.9 | -131.1 | 0 | 0 | 0 | 0 | 105.3 | F131 D136 A140 | F131-S142 WeakPolarHBondContact CE1-O 3.43Å; F131-S142 WeakPolarHBondContact CE1-OG 3.42Å; F131-S142 WeakPolarHBondContact CZ-O 3.29Å; D136-S142 WeakPolarHBondContact OD2-CB 3.47Å; D136-S142 PolarHBondContact OD2-OG 2.94Å; A140-S142 PolarHBondContact O-N 3.39Å | ||
| 143 | G | 61.6 | Low | 58.4 | Low | 56 Ų | 56 | 145.3 Ų | 145.3 | 58% | 0.577 | 74% | 0.738 | S | S | * | * | trans | -99.1 | 2 | -158.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q141 | Q141-G143 PolarHBondContact O-N 3.16Š| ||
| 144 | L | 59.6 | Low | 58.4 | Low | 163 Ų | 163 | 148.4 Ų | 148.4 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -143.3 | 85.1 | -178.4 | -70.8 | 168.5 | 0 | 0 | 0 | 111.8 | ||||
| 145 | G | 53.9 | Low | 58.3 | Low | 32 Ų | 32 | 145.4 Ų | 145.4 | 33% | 0.33 | 73% | 0.729 | S | S | . | * | trans | -87.6 | 129.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108 | F131 N147 | F131-G145 VanDerWaalsContact CD2-CA 3.45Å; G145-N147 PolarHBondContact O-N 3.48Å | ||
| 146 | C | 56.1 | Low | 58.2 | Low | 64 Ų | 64 | 143.1 Ų | 143.1 | 43% | 0.432 | 72% | 0.719 | S | S | . | * | trans | -51.2 | 120.4 | -162.5 | 4 | 0 | 0 | 0 | 0 | 115.3 | S129 C130 S148 | S129-C146 PolarHBondContact O-SG 3.07Å; S129-C146 VanDerWaalsContact O-SG 3.36Å; C130-C146 WeakPolarHBondContact CA-SG 3.37Å; C130-C146 HydrophobicContact CB-CB 4.14Å; C130-C146 VanDerWaalsContact CB-N 3.35Å; C130-C146 WeakPolarHBondContact CB-SG 3.19Å; C130-C146 PolarHBondContact N-SG 3.33Å; C130-C146 WeakPolarHBondContact SG-CA 3.09Å; C130-C146 WeakPolarHBondContact SG-CB 3.29Å; C130-C146 PolarHBondContact SG-N 3.03Å; C130-C146 CovalentContact SG-SG 2.02Å; C130-C146 PolarHBondContact SG-SG 2.9Å; C146-S148 PolarHBondContact O-N 3.39Å | ||
| 147 | N | 51.4 | Low | 57.9 | Low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -76.5 | 101.6 | 158.1 | -86.4 | -23.4 | 0 | 0 | 0 | 109.1 | G145 F149 | G145-N147 PolarHBondContact O-N 3.48Å; N147-F149 VanDerWaalsContact C-N 3.34Å; N147-F149 PolarHBondContact O-N 2.92Å | ||
| 148 | S | 55.8 | Low | 56.9 | Low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -89.5 | 75.2 | 158.2 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | C146 R150 | C146-S148 PolarHBondContact O-N 3.39Å; S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.47Å | ||
| 149 | F | 51.6 | Low | 56.6 | Low | 183 Ų | 183 | 139.3 Ų | 139.3 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | trans | -68.1 | 92.2 | 159.6 | -100.8 | -87.9 | 0 | 0 | 0 | 108 | N147 | N147-F149 VanDerWaalsContact C-N 3.34Å; N147-F149 PolarHBondContact O-N 2.92Å | ||
| 150 | R | 56.2 | Low | 56.1 | Low | 220 Ų | 220 | 143.5 Ų | 143.5 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | -94.7 | 82.6 | 162.8 | -74.3 | -106.1 | -159.6 | -163.4 | 2.6 | 107.7 | S148 R152 | S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.47Å; R150-R152 PolarHBondContact O-N 2.9Å | ||
| 151 | Y | 52.6 | Low | 55.8 | Low | 210 Ų | 210 | 149.9 Ų | 149.9 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -72.9 | 108.1 | 157.6 | -157.5 | -94 | 0 | 0 | 0 | 106.4 | ||||
| 152 | R | 57 | Low | 55.3 | Low | 225 Ų | 225 | 146.5 Ų | 146.5 | 85% | 0.849 | 71% | 0.71 | S | S | * | * | trans | -81.5 | 123 | 165.5 | -77.5 | -157.6 | -167.4 | -140.8 | 8.9 | 107.1 | R150 | R150-R152 PolarHBondContact O-N 2.9Š| ||
| 153 | R | 48.8 | Very low | 55 | Low | 304 Ų | 304 | 154.8 Ų | 154.8 | 100% | 1.147 | 74% | 0.739 | S | S | * | * | trans | -75.9 | 0 | 170.3 | -144.3 | -175.1 | -143 | 148.8 | 2.6 | 109.9 |
Retrieved 153 of 153 residues in 119.4 ms
(Link to these results)