| 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 | 44.3 | Very low | 58.5 | Low | 241 Ų | 241 | 137.6 Ų | 137.6 | 100% | 1.187 | 82% | 0.816 | S | S | * | * | 0 | 98.4 | 0 | -66.9 | -64.9 | -169.1 | 0 | 0 | 107.5 | |||||
| 2 | S | 50.1 | Low | 60.3 | Low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 117.8 | -177.2 | -172 | 0 | 0 | 0 | 0 | 109.2 | G4 | S2-G4 PolarHBondContact O-N 3.26Š| ||
| 3 | T | 53 | Low | 62.2 | Low | 135 Ų | 135 | 137.7 Ų | 137.7 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -82.1 | 97.3 | 177.2 | 40.9 | 0 | 0 | 0 | 0 | 109.6 | C5 | T3-C5 PolarHBondContact O-N 3.08Š| ||
| 4 | G | 50.2 | Low | 64.1 | Low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -66.5 | 109.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | S2 Q6 | S2-G4 PolarHBondContact O-N 3.26Å; G4-Q6 PolarHBondContact O-N 3.19Å; G4-Q6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | C | 56.8 | Low | 66.1 | Low | 107 Ų | 107 | 130.3 Ų | 130.3 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | -74.7 | 92.8 | 172 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | T3 K7 | T3-C5 PolarHBondContact O-N 3.08Å; C5-K7 PolarHBondContact O-N 3.15Å | ||
| 6 | Q | 59.6 | Low | 67.8 | Low | 177 Ų | 177 | 127.2 Ų | 127.2 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -71 | 92.6 | 170.3 | -65.1 | -178.3 | 5.7 | 0 | 0 | 108.7 | G4 T8 | G4-Q6 PolarHBondContact O-N 3.19Å; G4-Q6 VanDerWaalsContact O-N 3.08Å; Q6-T8 VanDerWaalsContact C-N 3.31Å; Q6-T8 PolarHBondContact O-N 3.01Å | ||
| 7 | K | 60.2 | Low | 69.4 | Low | 175 Ų | 175 | 129.1 Ų | 129.1 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -74.5 | 87.5 | 169.8 | -69.6 | -176.8 | -177.7 | 177.1 | 0 | 108.6 | C5 T9 | C5-K7 PolarHBondContact O-N 3.15Å; K7-T9 VanDerWaalsContact C-N 3.31Å; K7-T9 PolarHBondContact O-N 3.01Å; K7-T9 PolarHBondContact O-OG1 2.87Å | ||
| 8 | T | 60.1 | Low | 70.8 | Confident | 116 Ų | 116 | 131.4 Ų | 131.4 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | trans | -62.4 | 93.4 | 166.8 | 53.3 | 0 | 0 | 0 | 0 | 108.5 | Q6 T10 | Q6-T8 VanDerWaalsContact C-N 3.31Å; Q6-T8 PolarHBondContact O-N 3.01Å; T8-T10 PolarHBondContact O-N 3.44Å; T8-T10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | T | 64.2 | Low | 72.1 | Confident | 136 Ų | 136 | 126.5 Ų | 126.5 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | trans | -77.8 | 100.2 | 177.4 | -6.1 | 0 | 0 | 0 | 0 | 107.3 | K7 S11 | K7-T9 VanDerWaalsContact C-N 3.31Å; K7-T9 PolarHBondContact O-N 3.01Å; K7-T9 PolarHBondContact O-OG1 2.87Å; T9-S11 PolarHBondContact O-N 3.31Å | ||
| 10 | T | 72.3 | Confident | 73.3 | Confident | 117 Ų | 117 | 123.3 Ų | 123.3 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | trans | -71 | 102.4 | 173.4 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | T8 K12 | T8-T10 PolarHBondContact O-N 3.44Å; T8-T10 VanDerWaalsContact O-N 3.15Å; T10-K12 PolarHBondContact O-N 3.15Å; T10-K12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | S | 72.9 | Confident | 74.2 | Confident | 120 Ų | 120 | 117.9 Ų | 117.9 | 84% | 0.839 | 66% | 0.662 | S | S | * | * | trans | -59.8 | 115.8 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | T9 | T9-S11 PolarHBondContact O-N 3.31Š| ||
| 12 | K | 79.4 | Confident | 76.6 | Confident | 179 Ų | 179 | 111.7 Ų | 111.7 | 78% | 0.778 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 140.7 | 172 | -66.9 | -177.8 | -179.8 | 178.2 | 0 | 109.4 | T10 | T10-K12 PolarHBondContact O-N 3.15Å; T10-K12 VanDerWaalsContact O-N 3.16Å |
| 13 | A | 85.6 | Confident | 78.6 | Confident | 97 Ų | 97 | 109.2 Ų | 109.2 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 14 | I | 88.8 | Confident | 80.3 | Confident | 83 Ų | 83 | 105.7 Ų | 105.7 | 43% | 0.426 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -70 | 125.8 | 177.2 | -60.7 | 178.1 | 0 | 0 | 0 | 109 | T16 G46 R48 | I14-T16 PolarHBondContact O-N 3.17Å; I14-T16 PolarHBondContact O-OG1 3Å; I14-G46 WeakPolarHBondContact CG2-O 3.16Å; I14-R48 HydrophobicContact CG2-CB 3.87Å |
| 15 | P | 93.4 | Very high | 82.2 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 53% | 0.526 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 128.8 | 174.6 | -24.4 | 34 | 0 | 0 | 0 | 110.7 | T47 R48 | P15-T47 HydrophobicContact CB-CG2 4.4Å; P15-R48 PolarHBondContact O-N 2.83Å |
| 16 | T | 94.3 | Very high | 83.8 | Confident | 81 Ų | 81 | 107 Ų | 107 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121 | 128.8 | -175 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | I14 R48 I50 | I14-T16 PolarHBondContact O-N 3.17Å; I14-T16 PolarHBondContact O-OG1 3Å; T16-R48 CarbonylContact C-O 3.46Å; T16-R48 VanDerWaalsContact CA-O 3.29Å; T16-R48 WeakPolarHBondContact CA-O 3.36Å; T16-I50 HydrophobicContact CG2-CD1 3.68Å; T16-I50 HydrophobicContact CG2-CG1 4.09Å |
| 17 | R | 94.8 | Very high | 85.3 | Confident | 160 Ų | 160 | 100.4 Ų | 100.4 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.9 | 173.6 | 178.1 | 179.9 | 173.9 | 175.7 | -1.6 | 109.8 | V19 T47 R48 I49 I50 | R17-V19 HydrophobicContact CG-CG2 4.2Å; R17-T47 HydrophobicContact CB-CG2 4.45Å; R17-R48 PolarHBondContact N-O 3.31Å; R17-I49 CarbonylContact O-C 3.52Å; R17-I49 WeakPolarHBondContact O-CA 3.41Å; R17-I50 PolarHBondContact O-N 3.19Å |
| 18 | R | 95.3 | Very high | 86.8 | Confident | 171 Ų | 171 | 93.4 Ų | 93.4 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.3 | 171.8 | -61.3 | -171.3 | 67.5 | 136.5 | 1.5 | 110.9 | I50 D52 | R18-I50 CarbonylContact C-O 3.55Å; R18-I50 WeakPolarHBondContact CA-O 3.45Å; R18-I50 HydrophobicContact CG-CB 4.3Å; R18-D52 IonicContact CZ-OD1 3.71Å; R18-D52 IonicContact NE-OD1 3.68Å; R18-D52 IonicContact NH2-OD1 2.85Å; R18-D52 PolarHBondContact NH2-OD1 3.32Å |
| 19 | V | 95.4 | Very high | 88.3 | Confident | 38 Ų | 38 | 96 Ų | 96 | 23% | 0.23 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.4 | -179.1 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | R17 I21 I49 I50 Y51 D52 | R17-V19 HydrophobicContact CG-CG2 4.2Å; V19-I21 HydrophobicContact CG1-CD1 4.22Å; V19-I49 HydrophobicContact CB-CG2 4.37Å; V19-I49 HydrophobicContact CG2-CG2 3.77Å; V19-I50 PolarHBondContact N-O 2.9Å; V19-Y51 HydrophobicContact CB-CD1 4.06Å; V19-Y51 HydrophobicContact CB-CE1 4.37Å; V19-Y51 HydrophobicContact CG1-CD1 4.38Å; V19-Y51 CarbonylContact O-C 3.6Å; V19-Y51 WeakPolarHBondContact O-CA 3.29Å; V19-D52 PolarHBondContact O-N 2.88Å |
| 20 | T | 94.6 | Very high | 89.7 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.5 | 174 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | N22 K54 | T20-N22 WeakPolarHBondContact CG2-OD1 3.47Å; T20-K54 HydrophobicContact CG2-CB 4.35Å; T20-K54 HydrophobicContact CG2-CD 3.77Å; T20-K54 HydrophobicContact CG2-CG 4.19Å |
| 21 | I | 93.9 | Very high | 90.8 | Very high | 10 Ų | 10 | 94.7 Ų | 94.7 | 5% | 0.051 | 51% | 0.511 | C | S | . | . | trans | -98.5 | 121.1 | 173.8 | -55.7 | -58 | 0 | 0 | 0 | 109.1 | V19 D23 H26 M27 Y51 F55 | V19-I21 HydrophobicContact CG1-CD1 4.22Å; I21-D23 WeakPolarHBondContact CG2-O 3.39Å; I21-H26 HydrophobicContact CD1-CB 4.12Å; I21-H26 WeakPolarHBondContact CD1-O 3.29Å; I21-H26 HydrophobicContact CG2-CB 4.28Å; I21-M27 HydrophobicContact CD1-SD 4.36Å; I21-M27 HydrophobicContact CG1-SD 3.94Å; I21-Y51 HydrophobicContact CD1-CD1 3.91Å; I21-Y51 HydrophobicContact CG1-CD1 4.29Å; I21-F55 HydrophobicContact CG2-CB 4.32Å; I21-F55 VanDerWaalsContact O-CB 3.26Å; I21-F55 WeakPolarHBondContact O-CB 3.19Å; I21-F55 PolarHBondContact O-N 3.19Å | ||
| 22 | N | 92.7 | Very high | 91.8 | Very high | 112 Ų | 112 | 91.9 Ų | 91.9 | 60% | 0.599 | 49% | 0.492 | S | S | * | . | trans | -108 | -17.6 | -179.9 | -60.9 | -28 | 0 | 0 | 0 | 113 | T20 F55 | T20-N22 WeakPolarHBondContact CG2-OD1 3.47Å; N22-F55 WeakPolarHBondContact O-CD2 3.48Å | ||
| 23 | D | 92.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 87.2 Ų | 87.2 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -143.5 | 154.3 | 179.3 | -178.3 | 31.6 | 0 | 0 | 0 | 109.8 | I21 S25 H26 | I21-D23 WeakPolarHBondContact CG2-O 3.39Å; D23-S25 PolarHBondContact O-N 3.29Å; D23-S25 WeakPolarHBondContact OD2-CB 3.49Å; D23-S25 PolarHBondContact OD2-OG 2.83Å; D23-H26 PolarHBondContact O-N 3.07Å |
| 24 | A | 89.4 | Confident | 93.1 | Very high | 61 Ų | 61 | 85 Ų | 85 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -59.1 | -35.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H26 M27 F55 | A24-H26 PolarHBondContact O-N 3.16Å; A24-M27 WeakPolarHBondContact O-CB 3.06Å; A24-M27 PolarHBondContact O-N 3.38Å; A24-M27 VanDerWaalsContact O-N 3.12Å; A24-F55 HydrophobicContact CB-CE1 3.68Å; A24-F55 HydrophobicContact CB-CZ 3.89Å |
| 25 | S | 91 | Very high | 93.5 | Very high | 88 Ų | 88 | 88.2 Ų | 88.2 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -64.6 | -21.4 | -179.7 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | D23 M27 | D23-S25 PolarHBondContact O-N 3.29Å; D23-S25 WeakPolarHBondContact OD2-CB 3.49Å; D23-S25 PolarHBondContact OD2-OG 2.83Å; S25-M27 VanDerWaalsContact C-N 3.3Å |
| 26 | H | 89.6 | Confident | 93.6 | Very high | 113 Ų | 113 | 87.5 Ų | 87.5 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -84 | -7.9 | 178.9 | -64.8 | 176.8 | 0 | 0 | 0 | 112.9 | I21 D23 A24 | I21-H26 HydrophobicContact CD1-CB 4.12Å; I21-H26 WeakPolarHBondContact CD1-O 3.29Å; I21-H26 HydrophobicContact CG2-CB 4.28Å; D23-H26 PolarHBondContact O-N 3.07Å; A24-H26 PolarHBondContact O-N 3.16Å |
| 27 | M | 91.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 85 Ų | 85 | 19% | 0.187 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -77.8 | 128.2 | 179.5 | -161.1 | 58.3 | -157.8 | 0 | 0 | 109.9 | I21 A24 S25 Y31 L39 Y51 | I21-M27 HydrophobicContact CD1-SD 4.36Å; I21-M27 HydrophobicContact CG1-SD 3.94Å; A24-M27 WeakPolarHBondContact O-CB 3.06Å; A24-M27 PolarHBondContact O-N 3.38Å; A24-M27 VanDerWaalsContact O-N 3.12Å; S25-M27 VanDerWaalsContact C-N 3.3Å; M27-Y31 HydrophobicContact CE-CD1 3.48Å; M27-Y31 VanDerWaalsContact CE-CD1 3.48Å; M27-Y31 HydrophobicContact CE-CD2 3.55Å; M27-Y31 HydrophobicContact CE-CE1 4Å; M27-Y31 HydrophobicContact CE-CE2 4.08Å; M27-Y31 HydrophobicContact CE-CG 3.2Å; M27-Y31 HydrophobicContact CG-CD1 4.09Å; M27-Y31 HydrophobicContact CG-CE1 3.99Å; M27-L39 HydrophobicContact CE-CB 4.2Å; M27-L39 HydrophobicContact CE-CD2 3.38Å; M27-L39 HydrophobicContact CE-CG 4.41Å; M27-L39 HydrophobicContact SD-CD2 4.23Å; M27-Y51 HydrophobicContact CE-CD2 4.04Å; M27-Y51 HydrophobicContact CE-CG 4.11Å; M27-Y51 HydrophobicContact SD-CG 4.45Å |
| 28 | P | 92.5 | Very high | 93.5 | Very high | 28 Ų | 28 | 80.5 Ų | 80.5 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | trans | -57.4 | 158 | 173.6 | -19.1 | 25.2 | 0 | 0 | 0 | 112.1 | D30 Y31 Y51 | P28-D30 WeakPolarHBondContact CB-OD1 3.41Å; P28-Y31 WeakPolarHBondContact O-CD1 3.47Å; P28-Y51 HydrophobicContact CG-CD1 4.37Å; P28-Y51 HydrophobicContact CG-CD2 4.48Å; P28-Y51 HydrophobicContact CG-CE1 3.61Å; P28-Y51 HydrophobicContact CG-CE2 3.77Å; P28-Y51 WeakPolarHBondContact CG-OH 3.26Å | ||
| 29 | N | 91.4 | Very high | 93.5 | Very high | 171 Ų | 171 | 73.6 Ų | 73.6 | 91% | 0.914 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -82.3 | -18.6 | 174.5 | -67.1 | -29.9 | 0 | 0 | 0 | 112.7 | ||
| 30 | D | 93.4 | Very high | 93.5 | Very high | 122 Ų | 122 | 74 Ų | 74 | 65% | 0.652 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -118.2 | 26.8 | -168.7 | 62.4 | -24.1 | 0 | 0 | 0 | 113 | P28 | P28-D30 WeakPolarHBondContact CB-OD1 3.41Š|
| 31 | Y | 93.9 | Very high | 93.6 | Very high | 103 Ų | 103 | 71.6 Ų | 71.6 | 40% | 0.404 | 43% | 0.429 | S | S | . | . | trans | -73.8 | 155.7 | 174.6 | 72.5 | -81.7 | 0 | 0 | 0 | 112.1 | M27 P28 L39 | M27-Y31 HydrophobicContact CE-CD1 3.48Å; M27-Y31 VanDerWaalsContact CE-CD1 3.48Å; M27-Y31 HydrophobicContact CE-CD2 3.55Å; M27-Y31 HydrophobicContact CE-CE1 4Å; M27-Y31 HydrophobicContact CE-CE2 4.08Å; M27-Y31 HydrophobicContact CE-CG 3.2Å; M27-Y31 HydrophobicContact CG-CD1 4.09Å; M27-Y31 HydrophobicContact CG-CE1 3.99Å; P28-Y31 WeakPolarHBondContact O-CD1 3.47Å; Y31-L39 HydrophobicContact CD2-CB 4.43Å; Y31-L39 HydrophobicContact CD2-CD2 3.75Å; Y31-L39 HydrophobicContact CD2-CG 4.19Å; Y31-L39 HydrophobicContact CE2-CD2 3.67Å; Y31-L39 HydrophobicContact CE2-CG 4.35Å | ||
| 32 | S | 95.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 74.7 Ų | 74.7 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 164.4 | 173.4 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | L39 F40 | S32-L39 WeakPolarHBondContact O-CA 3.14Å; S32-F40 PolarHBondContact N-O 3.01Å; S32-F40 WeakPolarHBondContact O-CD1 3.2Å; S32-F40 PolarHBondContact O-N 3.06Å |
| 33 | T | 95.8 | Very high | 93.7 | Very high | 80 Ų | 80 | 71.9 Ų | 71.9 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.4 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | T38 | T33-T38 WeakPolarHBondContact CA-O 3.29Å |
| 34 | T | 95.8 | Very high | 93.8 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 31% | 0.313 | 46% | 0.463 | S | S | . | . | trans | -74.4 | 160.2 | 171.9 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | G36 G37 T38 F40 | T34-G36 PolarHBondContact O-N 3.14Å; T34-G37 WeakPolarHBondContact O-CA 3.43Å; T34-G37 PolarHBondContact O-N 3.27Å; T34-T38 PolarHBondContact N-O 2.79Å; T34-T38 WeakPolarHBondContact OG1-CB 3.33Å; T34-T38 PolarHBondContact OG1-N 2.79Å; T34-F40 HydrophobicContact CG2-CD1 3.83Å; T34-F40 HydrophobicContact CG2-CE1 3.63Å | ||
| 35 | P | 97.4 | Very high | 94.1 | Very high | 150 Ų | 150 | 76 Ų | 76 | 97% | 0.974 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.6 | 172.4 | -28.6 | 36.3 | 0 | 0 | 0 | 114.1 | G37 | P35-G37 PolarHBondContact O-N 3.32Š|
| 36 | G | 95.1 | Very high | 94.2 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 69% | 0.691 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | T34 | T34-G36 PolarHBondContact O-N 3.14Š|
| 37 | G | 92.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 70.2 Ų | 70.2 | 29% | 0.289 | 45% | 0.45 | S | S | . | . | trans | 76.6 | 19.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T34 P35 | T34-G37 WeakPolarHBondContact O-CA 3.43Å; T34-G37 PolarHBondContact O-N 3.27Å; P35-G37 PolarHBondContact O-N 3.32Å | ||
| 38 | T | 94.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 73 Ų | 73 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | trans | -85.3 | 124.7 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | T33 T34 I50 | T33-T38 WeakPolarHBondContact CA-O 3.29Å; T34-T38 PolarHBondContact N-O 2.79Å; T34-T38 WeakPolarHBondContact OG1-CB 3.33Å; T34-T38 PolarHBondContact OG1-N 2.79Å; T38-I50 HydrophobicContact CG2-CG2 3.81Å | ||
| 39 | L | 95.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 14% | 0.141 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.8 | 176.5 | -66.3 | 83.9 | 0 | 0 | 0 | 109.6 | M27 Y31 S32 Y51 R53 | M27-L39 HydrophobicContact CE-CB 4.2Å; M27-L39 HydrophobicContact CE-CD2 3.38Å; M27-L39 HydrophobicContact CE-CG 4.41Å; M27-L39 HydrophobicContact SD-CD2 4.23Å; Y31-L39 HydrophobicContact CD2-CB 4.43Å; Y31-L39 HydrophobicContact CD2-CD2 3.75Å; Y31-L39 HydrophobicContact CD2-CG 4.19Å; Y31-L39 HydrophobicContact CE2-CD2 3.67Å; Y31-L39 HydrophobicContact CE2-CG 4.35Å; S32-L39 WeakPolarHBondContact O-CA 3.14Å; L39-Y51 PolarHBondContact O-N 2.77Å; L39-R53 HydrophobicContact CD1-CB 4.21Å |
| 40 | F | 96.4 | Very high | 95 | Very high | 47 Ų | 47 | 66.3 Ų | 66.3 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 160.4 | 180 | 74.5 | -76.8 | 0 | 0 | 0 | 112.3 | S32 T34 I49 | S32-F40 PolarHBondContact N-O 3.01Å; S32-F40 WeakPolarHBondContact O-CD1 3.2Å; S32-F40 PolarHBondContact O-N 3.06Å; T34-F40 HydrophobicContact CG2-CD1 3.83Å; T34-F40 HydrophobicContact CG2-CE1 3.63Å; F40-I49 CarbonylContact C-O 3.58Å; F40-I49 WeakPolarHBondContact CA-O 3.4Å; F40-I49 VanDerWaalsContact CB-O 3.29Å; F40-I49 WeakPolarHBondContact CB-O 3.4Å |
| 41 | S | 96 | Very high | 95.2 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 167.2 | 166.2 | 68.2 | 0 | 0 | 0 | 0 | 109.1 | R48 I49 Y51 | S41-R48 WeakPolarHBondContact O-CA 3.31Å; S41-I49 PolarHBondContact N-O 3.02Å; S41-I49 PolarHBondContact O-N 2.86Å; S41-Y51 VanDerWaalsContact OG-CE2 3.31Å; S41-Y51 WeakPolarHBondContact OG-CE2 3.42Å; S41-Y51 PolarHBondContact OG-OH 2.92Å |
| 42 | T | 95 | Very high | 95.2 | Very high | 75 Ų | 75 | 58.3 Ų | 58.3 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.9 | 171.5 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | T47 | T42-T47 WeakPolarHBondContact CA-O 3.4Å |
| 43 | T | 94 | Very high | 95 | Very high | 53 Ų | 53 | 61.8 Ų | 61.8 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | trans | -74.9 | 157.3 | 176.5 | 63 | 0 | 0 | 0 | 0 | 110 | G45 G46 T47 I49 | T43-G45 PolarHBondContact O-N 3.05Å; T43-G46 PolarHBondContact O-N 3.18Å; T43-T47 PolarHBondContact N-O 2.92Å; T43-I49 HydrophobicContact CG2-CD1 3.64Å; T43-I49 HydrophobicContact CG2-CG1 4.38Å | ||
| 44 | P | 94.8 | Very high | 94.8 | Very high | 147 Ų | 147 | 63.9 Ų | 63.9 | 96% | 0.955 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -25.1 | 174.9 | -29.4 | 36.2 | 0 | 0 | 0 | 114.5 | G46 | P44-G46 PolarHBondContact O-N 2.86Š|
| 45 | G | 94.2 | Very high | 94.6 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 75% | 0.753 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 2.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T43 | T43-G45 PolarHBondContact O-N 3.05Š|
| 46 | G | 93.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 82.7 | 7.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | I14 T43 P44 | I14-G46 WeakPolarHBondContact CG2-O 3.16Å; T43-G46 PolarHBondContact O-N 3.18Å; P44-G46 PolarHBondContact O-N 2.86Å |
| 47 | T | 95 | Very high | 94.2 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 27% | 0.27 | 35% | 0.352 | S | S | . | . | trans | -82.7 | 127.9 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | P15 R17 T42 T43 | P15-T47 HydrophobicContact CB-CG2 4.4Å; R17-T47 HydrophobicContact CB-CG2 4.45Å; T42-T47 WeakPolarHBondContact CA-O 3.4Å; T43-T47 PolarHBondContact N-O 2.92Å | ||
| 48 | R | 95.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 67.6 Ų | 67.6 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.1 | 171.1 | -177.9 | 173.7 | -70.7 | 172.1 | -2.4 | 109.8 | I14 P15 T16 R17 S41 | I14-R48 HydrophobicContact CG2-CB 3.87Å; P15-R48 PolarHBondContact O-N 2.83Å; T16-R48 CarbonylContact C-O 3.46Å; T16-R48 VanDerWaalsContact CA-O 3.29Å; T16-R48 WeakPolarHBondContact CA-O 3.36Å; R17-R48 PolarHBondContact N-O 3.31Å; S41-R48 WeakPolarHBondContact O-CA 3.31Å |
| 49 | I | 96.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 67.2 Ų | 67.2 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.6 | 173.8 | -52.1 | 175.5 | 0 | 0 | 0 | 107.9 | R17 V19 F40 S41 T43 Y51 | R17-I49 CarbonylContact O-C 3.52Å; R17-I49 WeakPolarHBondContact O-CA 3.41Å; V19-I49 HydrophobicContact CB-CG2 4.37Å; V19-I49 HydrophobicContact CG2-CG2 3.77Å; F40-I49 CarbonylContact C-O 3.58Å; F40-I49 WeakPolarHBondContact CA-O 3.4Å; F40-I49 VanDerWaalsContact CB-O 3.29Å; F40-I49 WeakPolarHBondContact CB-O 3.4Å; S41-I49 PolarHBondContact N-O 3.02Å; S41-I49 PolarHBondContact O-N 2.86Å; T43-I49 HydrophobicContact CG2-CD1 3.64Å; T43-I49 HydrophobicContact CG2-CG1 4.38Å; I49-Y51 HydrophobicContact CB-CE1 4.44Å; I49-Y51 HydrophobicContact CB-CE2 4.19Å; I49-Y51 HydrophobicContact CG2-CD1 4.11Å; I49-Y51 HydrophobicContact CG2-CE1 3.53Å; I49-Y51 HydrophobicContact CG2-CE2 4.04Å; I49-Y51 VanDerWaalsContact CG2-CZ 3.47Å |
| 50 | I | 96 | Very high | 94.1 | Very high | 35 Ų | 35 | 74.7 Ų | 74.7 | 18% | 0.179 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125 | 173.2 | -60.6 | 174.8 | 0 | 0 | 0 | 108 | T16 R17 R18 V19 T38 | T16-I50 HydrophobicContact CG2-CD1 3.68Å; T16-I50 HydrophobicContact CG2-CG1 4.09Å; R17-I50 PolarHBondContact O-N 3.19Å; R18-I50 CarbonylContact C-O 3.55Å; R18-I50 WeakPolarHBondContact CA-O 3.45Å; R18-I50 HydrophobicContact CG-CB 4.3Å; V19-I50 PolarHBondContact N-O 2.9Å; T38-I50 HydrophobicContact CG2-CG2 3.81Å |
| 51 | Y | 95.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 76.9 Ų | 76.9 | 9% | 0.094 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.5 | 179.8 | -56.2 | -78.1 | 0 | 0 | 0 | 110.1 | V19 I21 M27 P28 L39 S41 I49 | V19-Y51 HydrophobicContact CB-CD1 4.06Å; V19-Y51 HydrophobicContact CB-CE1 4.37Å; V19-Y51 HydrophobicContact CG1-CD1 4.38Å; V19-Y51 CarbonylContact O-C 3.6Å; V19-Y51 WeakPolarHBondContact O-CA 3.29Å; I21-Y51 HydrophobicContact CD1-CD1 3.91Å; I21-Y51 HydrophobicContact CG1-CD1 4.29Å; M27-Y51 HydrophobicContact CE-CD2 4.04Å; M27-Y51 HydrophobicContact CE-CG 4.11Å; M27-Y51 HydrophobicContact SD-CG 4.45Å; P28-Y51 HydrophobicContact CG-CD1 4.37Å; P28-Y51 HydrophobicContact CG-CD2 4.48Å; P28-Y51 HydrophobicContact CG-CE1 3.61Å; P28-Y51 HydrophobicContact CG-CE2 3.77Å; P28-Y51 WeakPolarHBondContact CG-OH 3.26Å; L39-Y51 PolarHBondContact O-N 2.77Å; S41-Y51 VanDerWaalsContact OG-CE2 3.31Å; S41-Y51 WeakPolarHBondContact OG-CE2 3.42Å; S41-Y51 PolarHBondContact OG-OH 2.92Å; I49-Y51 HydrophobicContact CB-CE1 4.44Å; I49-Y51 HydrophobicContact CB-CE2 4.19Å; I49-Y51 HydrophobicContact CG2-CD1 4.11Å; I49-Y51 HydrophobicContact CG2-CE1 3.53Å; I49-Y51 HydrophobicContact CG2-CE2 4.04Å; I49-Y51 VanDerWaalsContact CG2-CZ 3.47Å |
| 52 | D | 94.4 | Very high | 93.9 | Very high | 34 Ų | 34 | 78.3 Ų | 78.3 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 134 | 175.6 | -69.8 | -13.5 | 0 | 0 | 0 | 110.4 | R18 V19 K54 | R18-D52 IonicContact CZ-OD1 3.71Å; R18-D52 IonicContact NE-OD1 3.68Å; R18-D52 IonicContact NH2-OD1 2.85Å; R18-D52 PolarHBondContact NH2-OD1 3.32Å; V19-D52 PolarHBondContact O-N 2.88Å; D52-K54 HydrophobicContact CB-CG 4.24Å; D52-K54 PolarHBondContact O-N 2.8Å; D52-K54 VanDerWaalsContact O-N 3.07Å |
| 53 | R | 91 | Very high | 93.9 | Very high | 134 Ų | 134 | 79.9 Ų | 79.9 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | trans | -78.4 | 23.1 | 178.9 | 62.8 | 174.9 | -176.5 | -170.1 | 3.8 | 115 | L39 F55 L56 L57 | L39-R53 HydrophobicContact CD1-CB 4.21Å; R53-F55 PolarHBondContact O-N 3.3Å; R53-L56 PolarHBondContact O-N 3.06Å; R53-L57 HydrophobicContact CG-CD1 3.78Å; R53-L57 HydrophobicContact CG-CG 3.85Å; R53-L57 WeakPolarHBondContact O-CG 3.4Å; R53-L57 PolarHBondContact O-N 3.16Å | ||
| 54 | K | 92.1 | Very high | 93.7 | Very high | 125 Ų | 125 | 84.2 Ų | 84.2 | 54% | 0.543 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.9 | -52.6 | -171.3 | -71.8 | -160.5 | -173.2 | 177.6 | 0 | 112.2 | T20 D52 L56 L57 E58 | T20-K54 HydrophobicContact CG2-CB 4.35Å; T20-K54 HydrophobicContact CG2-CD 3.77Å; T20-K54 HydrophobicContact CG2-CG 4.19Å; D52-K54 HydrophobicContact CB-CG 4.24Å; D52-K54 PolarHBondContact O-N 2.8Å; D52-K54 VanDerWaalsContact O-N 3.07Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L56 PolarHBondContact O-N 3.12Å; K54-L57 PolarHBondContact O-N 3.09Å; K54-E58 PolarHBondContact O-N 2.85Å |
| 55 | F | 92.6 | Very high | 93.6 | Very high | 58 Ų | 58 | 80.1 Ų | 80.1 | 25% | 0.254 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -52.6 | -49.4 | 175.5 | 171.7 | -106.6 | 0 | 0 | 0 | 112.7 | I21 N22 A24 R53 L57 E58 C59 | I21-F55 HydrophobicContact CG2-CB 4.32Å; I21-F55 VanDerWaalsContact O-CB 3.26Å; I21-F55 WeakPolarHBondContact O-CB 3.19Å; I21-F55 PolarHBondContact O-N 3.19Å; N22-F55 WeakPolarHBondContact O-CD2 3.48Å; A24-F55 HydrophobicContact CB-CE1 3.68Å; A24-F55 HydrophobicContact CB-CZ 3.89Å; R53-F55 PolarHBondContact O-N 3.3Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 3.4Å; F55-E58 WeakPolarHBondContact O-CB 3.36Å; F55-E58 PolarHBondContact O-N 3.28Å; F55-E58 VanDerWaalsContact O-N 3.11Å; F55-C59 PolarHBondContact O-N 3.07Å; F55-C59 PolarHBondContact O-SG 2.56Å |
| 56 | L | 90.7 | Very high | 93.4 | Very high | 116 Ų | 116 | 86.6 Ų | 86.6 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.5 | -37.1 | -179.1 | -168.5 | 142.9 | 0 | 0 | 0 | 112.4 | R53 K54 E58 C59 | R53-L56 PolarHBondContact O-N 3.06Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L56 PolarHBondContact O-N 3.12Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-C59 PolarHBondContact O-N 2.84Å |
| 57 | L | 92.1 | Very high | 93.3 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 34% | 0.335 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.7 | -30 | 174.6 | -70.8 | 179.8 | 0 | 0 | 0 | 113 | R53 K54 F55 R60 | R53-L57 HydrophobicContact CG-CD1 3.78Å; R53-L57 HydrophobicContact CG-CG 3.85Å; R53-L57 WeakPolarHBondContact O-CG 3.4Å; R53-L57 PolarHBondContact O-N 3.16Å; K54-L57 PolarHBondContact O-N 3.09Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 3.4Å; L57-R60 VanDerWaalsContact O-CB 3.29Å; L57-R60 WeakPolarHBondContact O-CB 3.1Å; L57-R60 PolarHBondContact O-N 3.02Å |
| 58 | E | 93.7 | Very high | 92.9 | Very high | 136 Ų | 136 | 92.3 Ų | 92.3 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.1 | -39.6 | 173.7 | -171.7 | 171.1 | -172.9 | 0 | 0 | 110.8 | K54 F55 L56 R60 S61 | K54-E58 PolarHBondContact O-N 2.85Å; F55-E58 WeakPolarHBondContact O-CB 3.36Å; F55-E58 PolarHBondContact O-N 3.28Å; F55-E58 VanDerWaalsContact O-N 3.11Å; L56-E58 VanDerWaalsContact C-N 3.33Å; E58-R60 PolarHBondContact O-N 3.12Å; E58-S61 PolarHBondContact O-N 3.22Å; E58-S61 PolarHBondContact O-OG 3.38Å |
| 59 | C | 92.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 91.9 Ų | 91.9 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.2 | -26.3 | 174.1 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | F55 L56 S61 S62 | F55-C59 PolarHBondContact O-N 3.07Å; F55-C59 PolarHBondContact O-SG 2.56Å; L56-C59 PolarHBondContact O-N 2.84Å; C59-S61 PolarHBondContact O-N 2.86Å; C59-S62 WeakPolarHBondContact O-CB 3.49Å; C59-S62 PolarHBondContact O-N 3.39Å; C59-S62 VanDerWaalsContact O-N 3.09Å |
| 60 | R | 94.1 | Very high | 92 | Very high | 183 Ų | 183 | 96.5 Ų | 96.5 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.7 | 176.1 | -179.3 | -174.9 | 58.8 | 170.1 | -0.5 | 113.4 | L57 E58 S62 | L57-R60 VanDerWaalsContact O-CB 3.29Å; L57-R60 WeakPolarHBondContact O-CB 3.1Å; L57-R60 PolarHBondContact O-N 3.02Å; E58-R60 PolarHBondContact O-N 3.12Å; R60-S62 VanDerWaalsContact C-N 3.31Å |
| 61 | S | 93.3 | Very high | 91.6 | Very high | 93 Ų | 93 | 100.9 Ų | 100.9 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.8 | 178.8 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | E58 C59 | E58-S61 PolarHBondContact O-N 3.22Å; E58-S61 PolarHBondContact O-OG 3.38Å; C59-S61 PolarHBondContact O-N 2.86Å |
| 62 | S | 95.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 104.1 Ų | 104.1 | 27% | 0.273 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -60.8 | 142.4 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | C59 R60 L64 A65 | C59-S62 WeakPolarHBondContact O-CB 3.49Å; C59-S62 PolarHBondContact O-N 3.39Å; C59-S62 VanDerWaalsContact O-N 3.09Å; R60-S62 VanDerWaalsContact C-N 3.31Å; S62-L64 PolarHBondContact O-N 2.99Å; S62-L64 PolarHBondContact OG-N 3.42Å; S62-A65 WeakPolarHBondContact O-CB 3.4Å; S62-A65 PolarHBondContact O-N 3.26Å |
| 63 | P | 94.2 | Very high | 91.1 | Very high | 108 Ų | 108 | 106.5 Ų | 106.5 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -52.6 | -34.4 | 171.4 | -26.9 | 35.2 | 0 | 0 | 0 | 113.7 | A65 R66 T67 | P63-A65 VanDerWaalsContact C-N 3.3Å; P63-A65 PolarHBondContact O-N 3.18Å; P63-R66 PolarHBondContact O-N 3.33Å; P63-R66 VanDerWaalsContact O-N 3.11Å; P63-T67 PolarHBondContact O-OG1 2.7Å |
| 64 | L | 91.6 | Very high | 91 | Very high | 144 Ų | 144 | 106.2 Ų | 106.2 | 75% | 0.754 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -64 | -34.3 | 178.2 | -68.4 | 174.4 | 0 | 0 | 0 | 112.4 | S62 R66 T67 | S62-L64 PolarHBondContact O-N 2.99Å; S62-L64 PolarHBondContact OG-N 3.42Å; L64-R66 PolarHBondContact O-N 3.37Å; L64-T67 PolarHBondContact O-N 3.44Å; L64-T67 PolarHBondContact O-OG1 3.18Å |
| 65 | A | 92.5 | Very high | 91 | Very high | 62 Ų | 62 | 104 Ų | 104 | 51% | 0.512 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -72.7 | -14.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S62 P63 | S62-A65 WeakPolarHBondContact O-CB 3.4Å; S62-A65 PolarHBondContact O-N 3.26Å; P63-A65 VanDerWaalsContact C-N 3.3Å; P63-A65 PolarHBondContact O-N 3.18Å |
| 66 | R | 89.8 | Confident | 90.8 | Very high | 208 Ų | 208 | 106.5 Ų | 106.5 | 79% | 0.785 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -94.4 | -3 | 179.4 | -56.5 | 178.6 | 79.5 | 173.5 | 4.8 | 112.7 | P63 L64 | P63-R66 PolarHBondContact O-N 3.33Å; P63-R66 VanDerWaalsContact O-N 3.11Å; L64-R66 PolarHBondContact O-N 3.37Å |
| 67 | T | 90.3 | Very high | 90.7 | Very high | 89 Ų | 89 | 104.6 Ų | 104.6 | 55% | 0.546 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -86.9 | 120.7 | 179.1 | -15.7 | 0 | 0 | 0 | 0 | 109 | P63 L64 | P63-T67 PolarHBondContact O-OG1 2.7Å; L64-T67 PolarHBondContact O-N 3.44Å; L64-T67 PolarHBondContact O-OG1 3.18Å |
| 68 | P | 87.2 | Confident | 90.7 | Very high | 109 Ų | 109 | 107 Ų | 107 | 71% | 0.708 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138.2 | 177.3 | -23.9 | 34.1 | 0 | 0 | 0 | 111.1 | C70 | P68-C70 PolarHBondContact O-N 2.94Š|
| 69 | P | 87.7 | Confident | 90.5 | Very high | 90 Ų | 90 | 102.9 Ų | 102.9 | 58% | 0.584 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 133.4 | 177.7 | 24.7 | -32.1 | 0 | 0 | 0 | 110.6 | L72 | P69-L72 HydrophobicContact CB-CD1 3.87Å; P69-L72 HydrophobicContact CG-CB 4.28Å; P69-L72 HydrophobicContact CG-CD1 3.48Å; P69-L72 VanDerWaalsContact CG-CD1 3.48Å; P69-L72 HydrophobicContact CG-CG 4.44Å |
| 70 | C | 85.6 | Confident | 90.1 | Very high | 119 Ų | 119 | 101.9 Ų | 101.9 | 80% | 0.804 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 142.4 | 174 | -60.8 | 0 | 0 | 0 | 0 | 110 | P68 L72 | P68-C70 PolarHBondContact O-N 2.94Å; C70-L72 PolarHBondContact O-N 3.47Å |
| 71 | S | 87.7 | Confident | 89.5 | Confident | 126 Ų | 126 | 98.3 Ų | 98.3 | 88% | 0.881 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.6 | 24.4 | 168.8 | -46.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 72 | L | 88.1 | Confident | 88.6 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | trans | -84.3 | 133 | 176.5 | -139.9 | 133.7 | 0 | 0 | 0 | 110.6 | P69 C70 T79 | P69-L72 HydrophobicContact CB-CD1 3.87Å; P69-L72 HydrophobicContact CG-CB 4.28Å; P69-L72 HydrophobicContact CG-CD1 3.48Å; P69-L72 VanDerWaalsContact CG-CD1 3.48Å; P69-L72 HydrophobicContact CG-CG 4.44Å; C70-L72 PolarHBondContact O-N 3.47Å; L72-T79 VanDerWaalsContact CD2-CB 3.42Å; L72-T79 HydrophobicContact CD2-CG2 3.07Å | ||
| 73 | P | 91.3 | Very high | 87.4 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | trans | -63.6 | 145.8 | -177.6 | 25.6 | -34 | 0 | 0 | 0 | 110.8 | I75 T79 | P73-I75 HydrophobicContact CB-CG1 4.41Å; P73-I75 HydrophobicContact CG-CD1 4.06Å; P73-I75 HydrophobicContact CG-CG1 4.37Å; P73-I75 PolarHBondContact O-N 3.2Å; P73-I75 VanDerWaalsContact O-N 3.16Å; P73-T79 WeakPolarHBondContact O-CB 3.29Å; P73-T79 PolarHBondContact O-OG1 3.28Å | ||
| 74 | N | 88.8 | Confident | 85.8 | Confident | 127 Ų | 127 | 107.1 Ų | 107.1 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | trans | -80.5 | 96.1 | 178.2 | -173.6 | 27.2 | 0 | 0 | 0 | 110.5 | S80 | N74-S80 VanDerWaalsContact OD1-CB 3.29Å; N74-S80 WeakPolarHBondContact OD1-CB 3.13Å | ||
| 75 | I | 92.6 | Very high | 84 | Confident | 79 Ų | 79 | 107.3 Ų | 107.3 | 41% | 0.405 | 64% | 0.642 | S | S | . | * | trans | -108.7 | 111.4 | 178.4 | -58.3 | 169.5 | 0 | 0 | 0 | 106.7 | P73 G77 V78 T79 S80 | P73-I75 HydrophobicContact CB-CG1 4.41Å; P73-I75 HydrophobicContact CG-CD1 4.06Å; P73-I75 HydrophobicContact CG-CG1 4.37Å; P73-I75 PolarHBondContact O-N 3.2Å; P73-I75 VanDerWaalsContact O-N 3.16Å; I75-G77 PolarHBondContact O-N 3.43Å; I75-V78 HydrophobicContact CB-CB 4.21Å; I75-V78 HydrophobicContact CG2-CB 3.97Å; I75-V78 HydrophobicContact CG2-CG2 3.8Å; I75-V78 PolarHBondContact O-N 2.61Å; I75-V78 VanDerWaalsContact O-N 3.12Å; I75-T79 HydrophobicContact CB-CG2 4.37Å; I75-T79 HydrophobicContact CD1-CG2 4.42Å; I75-T79 PolarHBondContact N-OG1 2.94Å; I75-T79 PolarHBondContact O-N 2.89Å; I75-T79 PolarHBondContact O-OG1 3.12Å; I75-S80 PolarHBondContact O-N 3.03Å | ||
| 76 | P | 88.9 | Confident | 82.1 | Confident | 110 Ų | 110 | 110.9 Ų | 110.9 | 71% | 0.714 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | 128.6 | 178.7 | -26.9 | 35.1 | 0 | 0 | 0 | 111.8 | V78 | P76-V78 VanDerWaalsContact C-N 3.28Å; P76-V78 PolarHBondContact O-N 3.49Å |
| 77 | G | 88.6 | Confident | 79.9 | Confident | 77 Ų | 77 | 107 Ų | 107 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.1 | -6.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I75 S80 | I75-G77 PolarHBondContact O-N 3.43Å; G77-S80 PolarHBondContact N-OG 3.09Å; G77-S80 VanDerWaalsContact N-OG 3.09Å |
| 78 | V | 91.3 | Very high | 77.8 | Confident | 115 Ų | 115 | 109.8 Ų | 109.8 | 70% | 0.697 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -55.1 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | I75 P76 | I75-V78 HydrophobicContact CB-CB 4.21Å; I75-V78 HydrophobicContact CG2-CB 3.97Å; I75-V78 HydrophobicContact CG2-CG2 3.8Å; I75-V78 PolarHBondContact O-N 2.61Å; I75-V78 VanDerWaalsContact O-N 3.12Å; P76-V78 VanDerWaalsContact C-N 3.28Å; P76-V78 PolarHBondContact O-N 3.49Å |
| 79 | T | 88.9 | Confident | 75.7 | Confident | 48 Ų | 48 | 111.2 Ų | 111.2 | 29% | 0.294 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.5 | -16.9 | -168.5 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | L72 P73 I75 | L72-T79 VanDerWaalsContact CD2-CB 3.42Å; L72-T79 HydrophobicContact CD2-CG2 3.07Å; P73-T79 WeakPolarHBondContact O-CB 3.29Å; P73-T79 PolarHBondContact O-OG1 3.28Å; I75-T79 HydrophobicContact CB-CG2 4.37Å; I75-T79 HydrophobicContact CD1-CG2 4.42Å; I75-T79 PolarHBondContact N-OG1 2.94Å; I75-T79 PolarHBondContact O-N 2.89Å; I75-T79 PolarHBondContact O-OG1 3.12Å |
| 80 | S | 84.8 | Confident | 73.5 | Confident | 37 Ų | 37 | 116.4 Ų | 116.4 | 26% | 0.259 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -61.6 | 132.4 | 172 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | N74 I75 G77 | N74-S80 VanDerWaalsContact OD1-CB 3.29Å; N74-S80 WeakPolarHBondContact OD1-CB 3.13Å; I75-S80 PolarHBondContact O-N 3.03Å; G77-S80 PolarHBondContact N-OG 3.09Å; G77-S80 VanDerWaalsContact N-OG 3.09Å |
| 81 | P | 81.3 | Confident | 71.6 | Confident | 107 Ų | 107 | 115.3 Ų | 115.3 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | trans | -54.8 | 143.5 | 172.7 | -21.9 | 31.2 | 0 | 0 | 0 | 110.8 | S83 | P81-S83 PolarHBondContact O-N 3.3Š| ||
| 82 | P | 75.3 | Confident | 69.4 | Low | 124 Ų | 124 | 117.8 Ų | 117.8 | 81% | 0.805 | 67% | 0.674 | S | S | * | * | trans | -60.9 | 113.7 | 175.2 | 22.7 | -30.4 | 0 | 0 | 0 | 109.4 | K84 | P82-K84 PolarHBondContact O-N 3.11Å; P82-K84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | S | 69 | Low | 67 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | trans | -63.5 | 112.7 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | P81 H85 | P81-S83 PolarHBondContact O-N 3.3Å; S83-H85 VanDerWaalsContact C-N 3.32Å; S83-H85 PolarHBondContact O-N 2.97Å | ||
| 84 | K | 61.1 | Low | 64.6 | Low | 192 Ų | 192 | 124.8 Ų | 124.8 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | trans | -69.9 | 94.6 | 166.6 | -70.5 | -177.2 | -178.6 | -179.1 | 0 | 106.9 | P82 I86 | P82-K84 PolarHBondContact O-N 3.11Å; P82-K84 VanDerWaalsContact O-N 3.12Å; K84-I86 VanDerWaalsContact C-N 3.32Å; K84-I86 PolarHBondContact O-N 3.37Å | ||
| 85 | H | 54.4 | Low | 62.1 | Low | 149 Ų | 149 | 127.1 Ų | 127.1 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | -67.1 | 93.1 | 172.2 | -156 | -91.9 | 0 | 0 | 0 | 108.5 | S83 N87 | S83-H85 VanDerWaalsContact C-N 3.32Å; S83-H85 PolarHBondContact O-N 2.97Å; H85-N87 PolarHBondContact CE1-OD1 3.03Å; H85-N87 PolarHBondContact ND1-OD1 3.12Å; H85-N87 PolarHBondContact O-N 2.9Å; H85-N87 VanDerWaalsContact O-N 3.12Å | ||
| 86 | I | 50.7 | Low | 60.1 | Low | 137 Ų | 137 | 127.7 Ų | 127.7 | 70% | 0.703 | 71% | 0.706 | S | S | * | * | trans | -74.2 | 99.1 | 170 | -56.1 | 173.7 | 0 | 0 | 0 | 105.7 | K84 N88 | K84-I86 VanDerWaalsContact C-N 3.32Å; K84-I86 PolarHBondContact O-N 3.37Å; I86-N88 PolarHBondContact O-N 2.88Å | ||
| 87 | N | 44.5 | Very low | 57.8 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | trans | -65 | 91.1 | 179.5 | -67.7 | -30.7 | 0 | 0 | 0 | 110.7 | H85 | H85-N87 PolarHBondContact CE1-OD1 3.03Å; H85-N87 PolarHBondContact ND1-OD1 3.12Å; H85-N87 PolarHBondContact O-N 2.9Å; H85-N87 VanDerWaalsContact O-N 3.12Å | ||
| 88 | N | 46.1 | Very low | 55.6 | Low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | -106.3 | 76.9 | 160.4 | -86.3 | -16 | 0 | 0 | 0 | 109.2 | I86 | I86-N88 PolarHBondContact O-N 2.88Š| ||
| 89 | V | 43.6 | Very low | 53.2 | Low | 139 Ų | 139 | 134.3 Ų | 134.3 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | trans | -140 | 122.2 | 163.2 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 90 | K | 40.3 | Very low | 50.9 | Low | 199 Ų | 199 | 137.9 Ų | 137.9 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | trans | -59.9 | 141.4 | 173.8 | -75.3 | 170.1 | 171.1 | 175.3 | 0 | 111.9 | ||||
| 91 | A | 45.7 | Very low | 49.1 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | 3.3 | 121.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 92 | H | 42.2 | Very low | 46.9 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -156.5 | 104.2 | 131.8 | -144.9 | -68.4 | 0 | 0 | 0 | 112.4 | ||||
| 93 | N | 38.3 | Very low | 45.4 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 54% | 0.54 | 76% | 0.758 | S | S | . | * | trans | 57.3 | 110.3 | 139.1 | -142.3 | -53.5 | 0 | 0 | 0 | 122.6 | ||||
| 94 | R | 39.5 | Very low | 44.1 | Very low | 223 Ų | 223 | 144.7 Ų | 144.7 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | 49 | 135.6 | 138.5 | -56.6 | 178.5 | -170.6 | 133.5 | -5.2 | 119.1 | ||||
| 95 | E | 37.5 | Very low | 42.9 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | cis | -162.3 | 165.6 | 36 | -122.9 | -97 | 132.4 | 0 | 0 | 109 | ||||
| 96 | P | 50.8 | Low | 42.5 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | trans | -97 | 136.5 | -166.2 | 34.7 | -22.6 | 0 | 0 | 0 | 113.1 | ||||
| 97 | L | 39.3 | Very low | 42.2 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -120 | 94.9 | 160.4 | -82 | 163.3 | 0 | 0 | 0 | 109.7 | ||||
| 98 | N | 43.8 | Very low | 42.3 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 57% | 0.572 | 78% | 0.784 | S | S | * | * | trans | -34.8 | 129.6 | 148 | 165 | 22.3 | 0 | 0 | 0 | 110.6 | N100 | N98-N100 PolarHBondContact OD1-N 3.24Å; N98-N100 PolarHBondContact OD1-OD1 3Å | ||
| 99 | N | 39.3 | Very low | 42.3 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -141.2 | 101.4 | 151.6 | -93.5 | -13.6 | 0 | 0 | 0 | 110.6 | ||||
| 100 | N | 40.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 144.8 | 165.1 | -66.2 | -32.8 | 0 | 0 | 0 | 112.1 | N98 T102 | N98-N100 PolarHBondContact OD1-N 3.24Å; N98-N100 PolarHBondContact OD1-OD1 3Å; N100-T102 PolarHBondContact O-N 3.38Å | ||
| 101 | I | 48.2 | Very low | 43 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | trans | -45 | 122.6 | 163.4 | -62.7 | 164.9 | 0 | 0 | 0 | 109.5 | ||||
| 102 | T | 35 | Very low | 43.3 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -122.9 | 121.7 | 166.5 | -48.4 | 0 | 0 | 0 | 0 | 108.5 | N100 | N100-T102 PolarHBondContact O-N 3.38Š| ||
| 103 | A | 42.8 | Very low | 44.4 | Very low | 78 Ų | 78 | 136 Ų | 136 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 156.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A105 | A103-A105 PolarHBondContact O-N 3.41Š|
| 104 | P | 42 | Very low | 46 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 125.4 | -178.7 | 31 | -31.2 | 0 | 0 | 0 | 109.6 | ||
| 105 | A | 36.2 | Very low | 47.1 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 133 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | A103 | A103-A105 PolarHBondContact O-N 3.41Š|
| 106 | D | 45.3 | Very low | 48.5 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -45.9 | 129.5 | 168.6 | -76 | -56.8 | 0 | 0 | 0 | 113.1 | ||||
| 107 | K | 46 | Very low | 49.5 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -143 | 118.7 | 144.1 | -74.6 | -163.6 | -179.5 | 175.1 | 0 | 111 | ||||
| 108 | S | 46.4 | Very low | 51.1 | Low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -59.9 | 158.9 | 165.5 | 165.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 109 | T | 45.7 | Very low | 52 | Low | 140 Ų | 140 | 144.2 Ų | 144.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | 89.8 | 107.5 | 159.7 | -33.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 110 | G | 44.1 | Very low | 52.6 | Low | 75 Ų | 75 | 143.5 Ų | 143.5 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 172.7 | 62.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D112 | G110-D112 PolarHBondContact O-N 3.03Š| ||
| 111 | D | 54.9 | Low | 53.3 | Low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | -60.3 | 112 | 170.8 | -165.7 | 12 | 0 | 0 | 0 | 108.3 | ||||
| 112 | D | 52.3 | Low | 53.5 | Low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -165.2 | 108.7 | 153.5 | -87.2 | -34.3 | 0 | 0 | 0 | 107.3 | G110 Q114 | G110-D112 PolarHBondContact O-N 3.03Å; D112-Q114 PolarHBondContact O-N 3.17Å; D112-Q114 VanDerWaalsContact O-N 3.17Å | ||
| 113 | A | 65.6 | Low | 54.6 | Low | 82 Ų | 82 | 143.4 Ų | 143.4 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -53.6 | 115.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | F115 | A113-F115 PolarHBondContact O-N 3.32Š| ||
| 114 | Q | 70.8 | Confident | 55.4 | Low | 167 Ų | 167 | 147.5 Ų | 147.5 | 78% | 0.78 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -62.8 | -12.7 | -179.6 | -166.8 | 172.2 | -7.9 | 0 | 0 | 113.4 | D112 | D112-Q114 PolarHBondContact O-N 3.17Å; D112-Q114 VanDerWaalsContact O-N 3.17Å |
| 115 | F | 63.3 | Low | 56.3 | Low | 174 Ų | 174 | 148.3 Ų | 148.3 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | -149.3 | 109.1 | 167.8 | -57.3 | -79.4 | 0 | 0 | 0 | 110.1 | A113 M117 | A113-F115 PolarHBondContact O-N 3.32Å; F115-M117 PolarHBondContact O-N 3.3Å | ||
| 116 | E | 67 | Low | 57.7 | Low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | -72.6 | 117.4 | 162.3 | -169.3 | 171.6 | -171.3 | 0 | 0 | 107.5 | ||||
| 117 | M | 71.3 | Confident | 58.7 | Low | 155 Ų | 155 | 151.3 Ų | 151.3 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | trans | -91.7 | 106.4 | 171.8 | 180 | 78.3 | 71.4 | 0 | 0 | 106.7 | F115 I119 | F115-M117 PolarHBondContact O-N 3.3Å; M117-I119 HydrophobicContact CG-CG2 3.91Å; M117-I119 PolarHBondContact O-N 3.11Å; M117-I119 VanDerWaalsContact O-N 3.15Å | ||
| 118 | D | 73.1 | Confident | 59.7 | Low | 148 Ų | 148 | 146.5 Ų | 146.5 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -59.8 | 116.2 | 168.5 | -67.7 | -38.5 | 0 | 0 | 0 | 108.6 | ||||
| 119 | I | 62 | Low | 60.9 | Low | 227 Ų | 227 | 150.1 Ų | 150.1 | 100% | 1.164 | 82% | 0.822 | S | S | * | * | trans | -121.3 | 0 | 170.7 | 55.5 | 166.7 | 0 | 0 | 0 | 111.3 | M117 | M117-I119 HydrophobicContact CG-CG2 3.91Å; M117-I119 PolarHBondContact O-N 3.11Å; M117-I119 VanDerWaalsContact O-N 3.15Å |
Retrieved 119 of 119 residues in 474.2 ms
(Link to these results)