| 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 | 48.7 | Very low | 59.4 | Low | 230 Ų | 230 | 160.8 Ų | 160.8 | 100% | 1.133 | 85% | 0.849 | S | S | * | * | 0 | 132.6 | 0 | -60 | -133.9 | -170.1 | 0 | 0 | 106.8 | T3 | M1-T3 PolarHBondContact O-N 3Š| |||
| 2 | P | 56.5 | Low | 59.6 | Low | 132 Ų | 132 | 162.7 Ų | 162.7 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | trans | -67 | 122.2 | -168.4 | 29.4 | -31.5 | 0 | 0 | 0 | 109 | G4 | P2-G4 PolarHBondContact O-N 3.24Š| ||
| 3 | T | 56.3 | Low | 60.1 | Low | 129 Ų | 129 | 165.6 Ų | 165.6 | 79% | 0.791 | 85% | 0.846 | S | S | * | * | trans | -65.3 | 111.4 | 172 | 39.3 | 0 | 0 | 0 | 0 | 108.2 | M1 D5 | M1-T3 PolarHBondContact O-N 3Å; T3-D5 PolarHBondContact O-N 3.34Å | ||
| 4 | G | 58.1 | Low | 60.7 | Low | 71 Ų | 71 | 166.4 Ų | 166.4 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | trans | -67.8 | 111.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | P2 K6 | P2-G4 PolarHBondContact O-N 3.24Å; G4-K6 PolarHBondContact O-N 3.21Å | ||
| 5 | D | 59.7 | Low | 61.7 | Low | 155 Ų | 155 | 158.6 Ų | 158.6 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -58.9 | 104.5 | 168.6 | -74.8 | -41.9 | 0 | 0 | 0 | 109 | T3 Q7 | T3-D5 PolarHBondContact O-N 3.34Å; D5-Q7 PolarHBondContact O-N 2.86Å | ||
| 6 | K | 60.6 | Low | 63 | Low | 204 Ų | 204 | 159.5 Ų | 159.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -64.6 | 101.7 | 166.1 | -74.1 | -176.7 | 175.6 | -177.4 | 0 | 107.1 | G4 | G4-K6 PolarHBondContact O-N 3.21Š| ||
| 7 | Q | 61.9 | Low | 64.2 | Low | 175 Ų | 175 | 154.9 Ų | 154.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -53.2 | 129.9 | 167.4 | -78.2 | -177.8 | -12.3 | 0 | 0 | 108.3 | D5 E9 | D5-Q7 PolarHBondContact O-N 2.86Å; Q7-E9 PolarHBondContact O-N 3.15Å; Q7-E9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | P | 63.4 | Low | 65.6 | Low | 118 Ų | 118 | 150.3 Ų | 150.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -59.6 | 123.8 | 177.5 | 24 | -31.1 | 0 | 0 | 0 | 107.9 | K10 | P8-K10 PolarHBondContact O-N 3.21Š| ||
| 9 | E | 61.6 | Low | 66.9 | Low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -53.1 | 113.6 | 173.6 | -76.2 | -158.5 | 140.5 | 0 | 0 | 107.8 | Q7 H11 | Q7-E9 PolarHBondContact O-N 3.15Å; Q7-E9 VanDerWaalsContact O-N 3.15Å; E9-H11 VanDerWaalsContact C-N 3.35Å; E9-H11 PolarHBondContact O-CD2 2.99Å; E9-H11 PolarHBondContact O-N 3Å | ||
| 10 | K | 63.3 | Low | 68.2 | Low | 200 Ų | 200 | 140.5 Ų | 140.5 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | trans | -62.1 | 103.1 | 172.4 | -79.2 | 179.2 | 176.8 | 174.9 | 0 | 106.7 | P8 K12 | P8-K10 PolarHBondContact O-N 3.21Å; K10-K12 PolarHBondContact O-N 2.96Å | ||
| 11 | H | 62.9 | Low | 69.3 | Low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.815 | 72% | 0.715 | S | S | * | * | trans | -47.4 | 114.5 | 169.7 | -73.8 | -116.6 | 0 | 0 | 0 | 107.7 | E9 K13 | E9-H11 VanDerWaalsContact C-N 3.35Å; E9-H11 PolarHBondContact O-CD2 2.99Å; E9-H11 PolarHBondContact O-N 3Å; H11-K13 PolarHBondContact O-N 3.11Å; H11-K13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | K | 62.3 | Low | 71.5 | Confident | 183 Ų | 183 | 132.8 Ų | 132.8 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | trans | -57.9 | 119.9 | 175.7 | -78.5 | 177.4 | 177.3 | 174.4 | 0 | 106.7 | K10 E14 | K10-K12 PolarHBondContact O-N 2.96Å; K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E14 PolarHBondContact O-N 3.19Å | ||
| 13 | K | 65.9 | Low | 73.4 | Confident | 201 Ų | 201 | 129.5 Ų | 129.5 | 87% | 0.874 | 65% | 0.649 | S | S | * | * | trans | -68.3 | 97.2 | 171.7 | -71.5 | -175.6 | 176.7 | -176.1 | 0 | 106.9 | H11 | H11-K13 PolarHBondContact O-N 3.11Å; H11-K13 VanDerWaalsContact O-N 3.11Å | ||
| 14 | E | 68.4 | Low | 75.3 | Confident | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | trans | -66.7 | 137.8 | 171.9 | -66.3 | -176.2 | 172.3 | 0 | 0 | 109 | K12 | K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E14 PolarHBondContact O-N 3.19Å | ||
| 15 | S | 75.4 | Confident | 77.2 | Confident | 50 Ų | 50 | 130.3 Ų | 130.3 | 35% | 0.35 | 63% | 0.626 | S | S | . | * | trans | -67.8 | 132.1 | 174.3 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | I17 Q48 | S15-I17 PolarHBondContact O-N 3.2Å; S15-I17 PolarHBondContact OG-N 3.27Å; S15-I17 PolarHBondContact OG-O 2.94Å; S15-Q48 PolarHBondContact OG-NE2 2.9Å; S15-Q48 VanDerWaalsContact OG-NE2 3.17Å | ||
| 16 | I | 83 | Confident | 78.9 | Confident | 173 Ų | 173 | 129.4 Ų | 129.4 | 89% | 0.887 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -65.4 | -18.8 | 172 | 51.8 | 158.1 | 0 | 0 | 0 | 112.6 | ||
| 17 | I | 83.5 | Confident | 80.6 | Confident | 82 Ų | 82 | 119.7 Ų | 119.7 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -106.3 | 120.8 | 178.7 | -61.4 | 163.9 | 0 | 0 | 0 | 108.3 | S15 L19 | S15-I17 PolarHBondContact O-N 3.2Å; S15-I17 PolarHBondContact OG-N 3.27Å; S15-I17 PolarHBondContact OG-O 2.94Å; I17-L19 HydrophobicContact CG2-CD2 3.97Å; I17-L19 HydrophobicContact CG2-CG 4.16Å; I17-L19 PolarHBondContact O-N 3.36Å |
| 18 | D | 88.6 | Confident | 82.2 | Confident | 71 Ų | 71 | 113.6 Ų | 113.6 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | trans | -88.6 | 90.5 | 171.2 | -178 | 16.3 | 0 | 0 | 0 | 110.2 | N20 K21 | D18-N20 PolarHBondContact O-N 2.9Å; D18-N20 VanDerWaalsContact OD1-CB 3.27Å; D18-N20 WeakPolarHBondContact OD1-CB 3.22Å; D18-N20 PolarHBondContact OD1-N 3.15Å; D18-N20 PolarHBondContact OD1-ND2 3.17Å; D18-K21 HydrophobicContact CB-CD 4.27Å; D18-K21 HydrophobicContact CB-CG 4.34Å; D18-K21 PolarHBondContact O-N 2.95Å; D18-K21 VanDerWaalsContact OD2-CE 3.22Å; D18-K21 WeakPolarHBondContact OD2-CE 3.37Å; D18-K21 WeakPolarHBondContact OD2-CG 3.48Å | ||
| 19 | L | 91.5 | Very high | 83.8 | Confident | 10 Ų | 10 | 108 Ų | 108 | 5% | 0.052 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -65.3 | -18.6 | 177.9 | -72.3 | 175.3 | 0 | 0 | 0 | 112.8 | I17 K21 Y22 L41 C44 Q48 M50 V88 | I17-L19 HydrophobicContact CG2-CD2 3.97Å; I17-L19 HydrophobicContact CG2-CG 4.16Å; I17-L19 PolarHBondContact O-N 3.36Å; L19-K21 PolarHBondContact O-N 3.38Å; L19-K21 VanDerWaalsContact O-N 3.17Å; L19-Y22 PolarHBondContact O-N 3.28Å; L19-L41 HydrophobicContact CB-CD2 4.32Å; L19-L41 WeakPolarHBondContact O-CD2 3.27Å; L19-C44 HydrophobicContact CB-CB 4.21Å; L19-C44 WeakPolarHBondContact CB-SG 3.44Å; L19-C44 HydrophobicContact CD1-CB 4.03Å; L19-Q48 HydrophobicContact CD1-CB 4.3Å; L19-Q48 HydrophobicContact CD1-CG 4.28Å; L19-M50 HydrophobicContact CD1-CG 4.25Å; L19-M50 HydrophobicContact CD1-SD 4.24Å; L19-V88 HydrophobicContact CD2-CB 4.4Å; L19-V88 HydrophobicContact CD2-CG1 3.95Å |
| 20 | N | 91.9 | Very high | 85.3 | Confident | 95 Ų | 95 | 102.6 Ų | 102.6 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -62.1 | -26.8 | 178.8 | -59.8 | -68.4 | 0 | 0 | 0 | 112.1 | D18 Y22 I23 | D18-N20 PolarHBondContact O-N 2.9Å; D18-N20 VanDerWaalsContact OD1-CB 3.27Å; D18-N20 WeakPolarHBondContact OD1-CB 3.22Å; D18-N20 PolarHBondContact OD1-N 3.15Å; D18-N20 PolarHBondContact OD1-ND2 3.17Å; N20-Y22 PolarHBondContact O-N 2.8Å; N20-Y22 VanDerWaalsContact O-N 3.15Å; N20-I23 HydrophobicContact CB-CD1 4.2Å; N20-I23 PolarHBondContact O-N 3.22Å; N20-I23 VanDerWaalsContact O-N 3.17Å |
| 21 | K | 92.6 | Very high | 86.9 | Confident | 138 Ų | 138 | 94.2 Ų | 94.2 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -63.7 | -16.3 | 174.8 | -62.2 | 179.9 | -177.6 | 175.3 | 0 | 113.7 | D18 L19 K25 | D18-K21 HydrophobicContact CB-CD 4.27Å; D18-K21 HydrophobicContact CB-CG 4.34Å; D18-K21 PolarHBondContact O-N 2.95Å; D18-K21 VanDerWaalsContact OD2-CE 3.22Å; D18-K21 WeakPolarHBondContact OD2-CE 3.37Å; D18-K21 WeakPolarHBondContact OD2-CG 3.48Å; L19-K21 PolarHBondContact O-N 3.38Å; L19-K21 VanDerWaalsContact O-N 3.17Å; K21-K25 WeakPolarHBondContact O-CE 3.35Å; K21-K25 PolarHBondContact O-NZ 3.32Å |
| 22 | Y | 94.6 | Very high | 88.3 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -108.8 | 5.2 | -179.6 | -56.8 | -77.5 | 0 | 0 | 0 | 113.1 | L19 N20 D24 K25 I27 L41 P90 | L19-Y22 PolarHBondContact O-N 3.28Å; N20-Y22 PolarHBondContact O-N 2.8Å; N20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-D24 PolarHBondContact O-N 3.17Å; Y22-K25 HydrophobicContact CD1-CD 4.48Å; Y22-K25 WeakPolarHBondContact O-CB 3.36Å; Y22-K25 PolarHBondContact O-N 2.9Å; Y22-I27 HydrophobicContact CD1-CG2 4.47Å; Y22-I27 HydrophobicContact CG-CG2 4.33Å; Y22-L41 WeakPolarHBondContact O-CB 3.47Å; Y22-P90 HydrophobicContact CD1-CB 4.23Å; Y22-P90 HydrophobicContact CE1-CB 3.88Å; Y22-P90 HydrophobicContact CE1-CG 4.01Å |
| 23 | I | 95.8 | Very high | 89.5 | Confident | 63 Ų | 63 | 83.8 Ų | 83.8 | 32% | 0.323 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 137.2 | 171.8 | -71.1 | 176.2 | 0 | 0 | 0 | 109.6 | N20 K25 | N20-I23 HydrophobicContact CB-CD1 4.2Å; N20-I23 PolarHBondContact O-N 3.22Å; N20-I23 VanDerWaalsContact O-N 3.17Å; I23-K25 PolarHBondContact O-N 3.17Å; I23-K25 VanDerWaalsContact O-N 3.13Å |
| 24 | D | 96.8 | Very high | 90.7 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 15.7 | -174 | -67.6 | -50 | 0 | 0 | 0 | 115 | Y22 L41 K42 | Y22-D24 PolarHBondContact O-N 3.17Å; D24-L41 PolarHBondContact N-O 3Å; D24-K42 IonicContact OD1-NZ 2.8Å; D24-K42 PolarHBondContact OD1-NZ 2.98Å |
| 25 | K | 96.8 | Very high | 91.8 | Very high | 113 Ų | 113 | 72.4 Ų | 72.4 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -105.2 | 151.7 | 171.1 | -59.1 | -175 | -174.4 | 159.8 | 0 | 111.1 | K21 Y22 I23 I27 I40 L41 | K21-K25 WeakPolarHBondContact O-CE 3.35Å; K21-K25 PolarHBondContact O-NZ 3.32Å; Y22-K25 HydrophobicContact CD1-CD 4.48Å; Y22-K25 WeakPolarHBondContact O-CB 3.36Å; Y22-K25 PolarHBondContact O-N 2.9Å; I23-K25 PolarHBondContact O-N 3.17Å; I23-K25 VanDerWaalsContact O-N 3.13Å; K25-I27 PolarHBondContact O-N 3.04Å; K25-I40 WeakPolarHBondContact O-CA 3.45Å; K25-L41 PolarHBondContact O-N 3.42Å |
| 26 | R | 96.5 | Very high | 92.7 | Very high | 137 Ų | 137 | 70.2 Ų | 70.2 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.8 | 172.7 | -164.7 | 172 | -175.7 | 137.4 | 8.2 | 109.2 | V38 G39 A91 | R26-V38 HydrophobicContact CG-CG1 3.73Å; R26-G39 CarbonylContact C-O 3.59Å; R26-G39 VanDerWaalsContact CA-O 3.29Å; R26-G39 WeakPolarHBondContact CA-O 3.49Å; R26-A91 HydrophobicContact CB-CB 4.01Å; R26-A91 HydrophobicContact CG-CB 3.78Å; R26-A91 WeakPolarHBondContact O-CB 3.47Å; R26-A91 PolarHBondContact O-N 3.31Å |
| 27 | I | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 152.1 | 176.9 | 60.8 | 166.2 | 0 | 0 | 0 | 110 | Y22 K25 V29 V38 G39 L41 M50 I52 V88 C89 | Y22-I27 HydrophobicContact CD1-CG2 4.47Å; Y22-I27 HydrophobicContact CG-CG2 4.33Å; K25-I27 PolarHBondContact O-N 3.04Å; I27-V29 HydrophobicContact CD1-CG2 3.71Å; I27-V29 HydrophobicContact CG1-CG2 4.15Å; I27-V38 VanDerWaalsContact O-CA 3.3Å; I27-V38 WeakPolarHBondContact O-CA 3.47Å; I27-G39 PolarHBondContact N-O 3.15Å; I27-G39 PolarHBondContact O-N 3.46Å; I27-G39 VanDerWaalsContact O-N 3.08Å; I27-L41 HydrophobicContact CD1-CB 3.86Å; I27-L41 HydrophobicContact CD1-CD1 4.07Å; I27-L41 HydrophobicContact CD1-CD2 4.39Å; I27-L41 HydrophobicContact CD1-CG 4.33Å; I27-L41 HydrophobicContact CG1-CB 4.17Å; I27-L41 HydrophobicContact CG2-CB 4.48Å; I27-M50 HydrophobicContact CD1-SD 4.05Å; I27-I52 HydrophobicContact CD1-CD1 4.03Å; I27-I52 HydrophobicContact CG1-CD1 4.44Å; I27-V88 HydrophobicContact CB-CG1 4.38Å; I27-V88 HydrophobicContact CD1-CG1 4.09Å; I27-C89 CarbonylContact C-O 3.57Å; I27-C89 WeakPolarHBondContact CA-O 3.22Å |
| 28 | R | 95.6 | Very high | 93.9 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 18% | 0.177 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.2 | 168.2 | 179.5 | -180 | -76.2 | -91.8 | 1.8 | 108.2 | E36 A37 V38 V88 C89 M94 | R28-E36 WeakPolarHBondContact CD-OE1 3.37Å; R28-E36 HydrophobicContact CG-CG 4.31Å; R28-E36 IonicContact CZ-OE1 3.53Å; R28-E36 IonicContact NE-OE1 3.69Å; R28-E36 IonicContact NH1-OE1 2.65Å; R28-E36 PolarHBondContact NH1-OE1 3.48Å; R28-A37 CarbonylContact C-O 3.52Å; R28-A37 WeakPolarHBondContact CA-O 3.36Å; R28-V38 HydrophobicContact CB-CG2 3.76Å; R28-V38 HydrophobicContact CG-CG2 3.71Å; R28-V88 WeakPolarHBondContact O-CA 3.46Å; R28-C89 PolarHBondContact N-O 3.42Å; R28-C89 PolarHBondContact O-N 3.5Å; R28-M94 WeakPolarHBondContact CD-SD 3.47Å; R28-M94 PolarHBondContact NE-SD 2.65Å; R28-M94 VanDerWaalsContact NE-SD 3.36Å |
| 29 | V | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.4 | -176.5 | -174.1 | 0 | 0 | 0 | 0 | 109 | I27 F31 E36 A37 M50 I52 V85 L87 V88 | I27-V29 HydrophobicContact CD1-CG2 3.71Å; I27-V29 HydrophobicContact CG1-CG2 4.15Å; V29-F31 HydrophobicContact CB-CE2 4.19Å; V29-F31 HydrophobicContact CB-CZ 4.16Å; V29-F31 HydrophobicContact CG1-CD1 4.49Å; V29-F31 HydrophobicContact CG1-CD2 4.45Å; V29-F31 HydrophobicContact CG1-CE1 3.9Å; V29-F31 HydrophobicContact CG1-CE2 3.85Å; V29-F31 HydrophobicContact CG1-CZ 3.52Å; V29-E36 WeakPolarHBondContact O-CA 3.48Å; V29-A37 PolarHBondContact N-O 3.49Å; V29-A37 PolarHBondContact O-N 3.17Å; V29-M50 HydrophobicContact CG1-CE 3.82Å; V29-M50 HydrophobicContact CG2-CE 4.09Å; V29-M50 HydrophobicContact CG2-SD 4.36Å; V29-I52 HydrophobicContact CG2-CD1 3.78Å; V29-V85 HydrophobicContact CG1-CG1 3.96Å; V29-V85 HydrophobicContact CG1-CG2 4.19Å; V29-L87 WeakPolarHBondContact CA-O 3.47Å; V29-V88 HydrophobicContact CG1-CG2 4.4Å; V29-V88 HydrophobicContact CG2-CG2 4.4Å |
| 30 | K | 94.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.3 | 170 | -59.6 | -171.3 | 176.9 | -164.7 | 0 | 109.7 | E36 E86 L87 | K30-E36 VanDerWaalsContact CE-CD 3.44Å; K30-E36 VanDerWaalsContact CE-OE1 3.27Å; K30-E36 WeakPolarHBondContact CE-OE1 3.39Å; K30-E36 WeakPolarHBondContact CE-OE2 3.14Å; K30-E36 HydrophobicContact CG-CG 4.18Å; K30-E36 IonicContact NZ-OE2 3.61Å; K30-E86 PolarHBondContact O-N 2.91Å; K30-L87 HydrophobicContact CB-CB 4.05Å; K30-L87 HydrophobicContact CD-CD2 4.01Å; K30-L87 HydrophobicContact CG-CB 4.37Å; K30-L87 HydrophobicContact CG-CD2 4.27Å; K30-L87 PolarHBondContact N-O 3.24Å; K30-L87 PolarHBondContact O-N 2.81Å |
| 31 | F | 95.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 154.8 | 179.2 | -59.1 | -85.4 | 0 | 0 | 0 | 111.3 | V29 G33 G34 R35 A37 C80 S84 V85 | V29-F31 HydrophobicContact CB-CE2 4.19Å; V29-F31 HydrophobicContact CB-CZ 4.16Å; V29-F31 HydrophobicContact CG1-CD1 4.49Å; V29-F31 HydrophobicContact CG1-CD2 4.45Å; V29-F31 HydrophobicContact CG1-CE1 3.9Å; V29-F31 HydrophobicContact CG1-CE2 3.85Å; V29-F31 HydrophobicContact CG1-CZ 3.52Å; F31-G33 PolarHBondContact O-N 3.43Å; F31-G34 WeakPolarHBondContact O-CA 3.42Å; F31-G34 PolarHBondContact O-N 3.01Å; F31-R35 HydrophobicContact CB-CB 4.22Å; F31-R35 HydrophobicContact CD2-CB 4.11Å; F31-R35 WeakPolarHBondContact CD2-O 3.39Å; F31-R35 PolarHBondContact N-O 2.82Å; F31-A37 HydrophobicContact CE2-CB 4.1Å; F31-C80 HydrophobicContact CE1-CB 3.85Å; F31-C80 HydrophobicContact CZ-CB 3.8Å; F31-S84 CarbonylContact C-O 3.6Å; F31-S84 WeakPolarHBondContact CA-O 3.34Å; F31-S84 WeakPolarHBondContact CB-O 3.49Å; F31-V85 HydrophobicContact CD1-CG2 4.1Å; F31-V85 HydrophobicContact CE1-CG2 3.79Å |
| 32 | S | 93.4 | Very high | 95.1 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 133.4 | 165.9 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | G34 S84 E86 | S32-G34 VanDerWaalsContact C-N 3.32Å; S32-S84 PolarHBondContact N-O 2.85Å; S32-S84 PolarHBondContact OG-O 2.86Å; S32-E86 VanDerWaalsContact CA-OE1 3.23Å; S32-E86 WeakPolarHBondContact CA-OE1 3.41Å |
| 33 | G | 88.3 | Confident | 95.2 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 84% | 0.835 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 3.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F31 | F31-G33 PolarHBondContact O-N 3.43Š|
| 34 | G | 89.7 | Confident | 95.2 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 95.8 | -11.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F31 S32 E36 R60 | F31-G34 WeakPolarHBondContact O-CA 3.42Å; F31-G34 PolarHBondContact O-N 3.01Å; S32-G34 VanDerWaalsContact C-N 3.32Å; G34-E36 PolarHBondContact O-N 3.13Å; G34-R60 VanDerWaalsContact C-CZ 3.42Å; G34-R60 VanDerWaalsContact C-NH2 3.34Å; G34-R60 PolarHBondContact O-NE 2.92Å; G34-R60 PolarHBondContact O-NH2 2.65Å |
| 35 | R | 92.1 | Very high | 95 | Very high | 128 Ų | 128 | 45.1 Ų | 45.1 | 48% | 0.483 | 24% | 0.238 | S | C | . | . | trans | -55.5 | 139.6 | -179.3 | -61.7 | 177.5 | 65 | -163.5 | -2.1 | 110.8 | F31 E57 | F31-R35 HydrophobicContact CB-CB 4.22Å; F31-R35 HydrophobicContact CD2-CB 4.11Å; F31-R35 WeakPolarHBondContact CD2-O 3.39Å; F31-R35 PolarHBondContact N-O 2.82Å; R35-E57 IonicContact CZ-OE1 2.9Å; R35-E57 VanDerWaalsContact CZ-OE1 3.25Å; R35-E57 IonicContact NE-OE1 3.25Å; R35-E57 PolarHBondContact NE-OE1 2.79Å; R35-E57 VanDerWaalsContact NH2-CD 3.34Å; R35-E57 IonicContact NH2-OE1 3.34Å; R35-E57 PolarHBondContact NH2-OE1 3.07Å; R35-E57 IonicContact NH2-OE2 3.07Å; R35-E57 PolarHBondContact NH2-OE2 2.8Å | ||
| 36 | E | 94.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.8 | -175.5 | -178.1 | 158.4 | -177.9 | 0 | 0 | 109.6 | R28 V29 K30 G34 E57 F58 L68 | R28-E36 WeakPolarHBondContact CD-OE1 3.37Å; R28-E36 HydrophobicContact CG-CG 4.31Å; R28-E36 IonicContact CZ-OE1 3.53Å; R28-E36 IonicContact NE-OE1 3.69Å; R28-E36 IonicContact NH1-OE1 2.65Å; R28-E36 PolarHBondContact NH1-OE1 3.48Å; V29-E36 WeakPolarHBondContact O-CA 3.48Å; K30-E36 VanDerWaalsContact CE-CD 3.44Å; K30-E36 VanDerWaalsContact CE-OE1 3.27Å; K30-E36 WeakPolarHBondContact CE-OE1 3.39Å; K30-E36 WeakPolarHBondContact CE-OE2 3.14Å; K30-E36 HydrophobicContact CG-CG 4.18Å; K30-E36 IonicContact NZ-OE2 3.61Å; G34-E36 PolarHBondContact O-N 3.13Å; E36-E57 CarbonylContact O-C 3.56Å; E36-E57 WeakPolarHBondContact O-CA 3.16Å; E36-F58 HydrophobicContact CB-CB 4.39Å; E36-F58 HydrophobicContact CG-CD2 4.28Å; E36-F58 PolarHBondContact O-N 2.78Å; E36-L68 HydrophobicContact CB-CD2 4.26Å; E36-L68 WeakPolarHBondContact OE2-CD1 3.36Å |
| 37 | A | 95.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.4 | -177 | 0 | 0 | 0 | 0 | 0 | 110.9 | R28 V29 F31 T55 T56 | R28-A37 CarbonylContact C-O 3.52Å; R28-A37 WeakPolarHBondContact CA-O 3.36Å; V29-A37 PolarHBondContact N-O 3.49Å; V29-A37 PolarHBondContact O-N 3.17Å; F31-A37 HydrophobicContact CE2-CB 4.1Å; A37-T55 HydrophobicContact CB-CG2 3.92Å; A37-T56 CarbonylContact C-O 3.44Å; A37-T56 WeakPolarHBondContact CA-O 3.23Å |
| 38 | V | 96.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.4 | 175.9 | 176.3 | 0 | 0 | 0 | 0 | 109 | R26 I27 R28 T55 T56 F58 | R26-V38 HydrophobicContact CG-CG1 3.73Å; I27-V38 VanDerWaalsContact O-CA 3.3Å; I27-V38 WeakPolarHBondContact O-CA 3.47Å; R28-V38 HydrophobicContact CB-CG2 3.76Å; R28-V38 HydrophobicContact CG-CG2 3.71Å; V38-T55 CarbonylContact O-C 3.59Å; V38-T55 WeakPolarHBondContact O-CA 3.42Å; V38-T56 PolarHBondContact N-O 2.83Å; V38-T56 PolarHBondContact O-N 2.96Å; V38-F58 HydrophobicContact CB-CE2 4.13Å; V38-F58 HydrophobicContact CG2-CD2 4.34Å; V38-F58 HydrophobicContact CG2-CE2 3.55Å; V38-F58 HydrophobicContact CG2-CZ 4.42Å |
| 39 | G | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | -172.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R26 I27 I52 D53 | R26-G39 CarbonylContact C-O 3.59Å; R26-G39 VanDerWaalsContact CA-O 3.29Å; R26-G39 WeakPolarHBondContact CA-O 3.49Å; I27-G39 PolarHBondContact N-O 3.15Å; I27-G39 PolarHBondContact O-N 3.46Å; I27-G39 VanDerWaalsContact O-N 3.08Å; G39-I52 VanDerWaalsContact C-CG2 3.44Å; G39-I52 VanDerWaalsContact CA-CG2 3.43Å; G39-D53 WeakPolarHBondContact CA-O 3.29Å |
| 40 | I | 97.7 | Very high | 93.9 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.2 | -177.3 | -57.6 | 175.3 | 0 | 0 | 0 | 109.5 | K25 K42 I52 D53 | K25-I40 WeakPolarHBondContact O-CA 3.45Å; I40-K42 HydrophobicContact CG2-CD 4.37Å; I40-K42 PolarHBondContact O-N 2.87Å; I40-I52 CarbonylContact O-C 3.53Å; I40-I52 WeakPolarHBondContact O-CA 3.49Å; I40-D53 PolarHBondContact N-O 2.94Å; I40-D53 PolarHBondContact O-N 3.29Å |
| 41 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.2 | 176.8 | -179.2 | 64.5 | 0 | 0 | 0 | 110.3 | L19 Y22 D24 K25 I27 G43 M50 | L19-L41 HydrophobicContact CB-CD2 4.32Å; L19-L41 WeakPolarHBondContact O-CD2 3.27Å; Y22-L41 WeakPolarHBondContact O-CB 3.47Å; D24-L41 PolarHBondContact N-O 3Å; K25-L41 PolarHBondContact O-N 3.42Å; I27-L41 HydrophobicContact CD1-CB 3.86Å; I27-L41 HydrophobicContact CD1-CD1 4.07Å; I27-L41 HydrophobicContact CD1-CD2 4.39Å; I27-L41 HydrophobicContact CD1-CG 4.33Å; I27-L41 HydrophobicContact CG1-CB 4.17Å; I27-L41 HydrophobicContact CG2-CB 4.48Å; L41-G43 WeakPolarHBondContact CD1-O 3.39Å; L41-M50 HydrophobicContact CD1-CB 3.81Å; L41-M50 HydrophobicContact CD1-CG 3.91Å; L41-M50 HydrophobicContact CD1-SD 4.38Å |
| 42 | K | 97.9 | Very high | 94.2 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -23.6 | 177.8 | -66.4 | -59.7 | -179.7 | -178 | 0 | 113.9 | D24 I40 V51 D53 | D24-K42 IonicContact OD1-NZ 2.8Å; D24-K42 PolarHBondContact OD1-NZ 2.98Å; I40-K42 HydrophobicContact CG2-CD 4.37Å; I40-K42 PolarHBondContact O-N 2.87Å; K42-V51 HydrophobicContact CB-CB 4.37Å; K42-V51 HydrophobicContact CB-CG1 4.17Å; K42-V51 PolarHBondContact N-O 2.8Å; K42-D53 HydrophobicContact CD-CB 4.32Å; K42-D53 HydrophobicContact CG-CB 3.63Å |
| 43 | G | 96.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 161 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L41 M50 V51 | L41-G43 WeakPolarHBondContact CD1-O 3.39Å; G43-M50 WeakPolarHBondContact O-CA 3.13Å; G43-V51 PolarHBondContact O-N 3.04Å |
| 44 | C | 94.4 | Very high | 94.8 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 160.2 | 176.3 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | L19 N49 M50 | L19-C44 HydrophobicContact CB-CB 4.21Å; L19-C44 WeakPolarHBondContact CB-SG 3.44Å; L19-C44 HydrophobicContact CD1-CB 4.03Å; C44-N49 CarbonylContact C-O 3.58Å; C44-N49 WeakPolarHBondContact CA-O 3.39Å; C44-M50 HydrophobicContact CB-CG 4.25Å |
| 45 | D | 92.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 44.6 Ų | 44.6 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | trans | -114.5 | 178.5 | 171.9 | 72.5 | 13.8 | 0 | 0 | 0 | 112.5 | L47 Q48 N49 | D45-L47 PolarHBondContact O-N 3.09Å; D45-L47 WeakPolarHBondContact OD1-CA 3.27Å; D45-L47 WeakPolarHBondContact OD1-CB 3.45Å; D45-L47 PolarHBondContact OD1-N 2.77Å; D45-Q48 PolarHBondContact O-N 3.26Å; D45-Q48 PolarHBondContact OD1-N 3.29Å; D45-Q48 VanDerWaalsContact OD1-N 3.11Å; D45-N49 PolarHBondContact N-O 2.83Å; D45-N49 VanDerWaalsContact N-O 3.09Å; D45-N49 WeakPolarHBondContact OD1-CB 3.29Å; D45-N49 PolarHBondContact OD1-N 3.22Å; D45-N49 PolarHBondContact OD1-ND2 2.88Å; D45-N49 WeakPolarHBondContact OD2-CB 3.21Å; D45-N49 PolarHBondContact OD2-ND2 3.11Å | ||
| 46 | N | 88 | Confident | 95.4 | Very high | 144 Ų | 144 | 39.2 Ų | 39.2 | 77% | 0.77 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.3 | -179.8 | -67.8 | -19.7 | 0 | 0 | 0 | 113.9 | Q48 | N46-Q48 VanDerWaalsContact C-N 3.26Š|
| 47 | L | 89 | Confident | 95.5 | Very high | 125 Ų | 125 | 39.5 Ų | 39.5 | 65% | 0.654 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 9.4 | 174.7 | -62.2 | 179.1 | 0 | 0 | 0 | 111.5 | D45 N49 G82 | D45-L47 PolarHBondContact O-N 3.09Å; D45-L47 WeakPolarHBondContact OD1-CA 3.27Å; D45-L47 WeakPolarHBondContact OD1-CB 3.45Å; D45-L47 PolarHBondContact OD1-N 2.77Å; L47-N49 PolarHBondContact O-N 3.36Å; L47-G82 WeakPolarHBondContact O-CA 3.47Å |
| 48 | Q | 90.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 27% | 0.271 | 23% | 0.226 | S | C | . | . | trans | 60.2 | 24.8 | -177.4 | -56.4 | 172.4 | -19.1 | 0 | 0 | 113 | S15 L19 D45 N46 G82 | S15-Q48 PolarHBondContact OG-NE2 2.9Å; S15-Q48 VanDerWaalsContact OG-NE2 3.17Å; L19-Q48 HydrophobicContact CD1-CB 4.3Å; L19-Q48 HydrophobicContact CD1-CG 4.28Å; D45-Q48 PolarHBondContact O-N 3.26Å; D45-Q48 PolarHBondContact OD1-N 3.29Å; D45-Q48 VanDerWaalsContact OD1-N 3.11Å; N46-Q48 VanDerWaalsContact C-N 3.26Å; Q48-G82 WeakPolarHBondContact O-CA 3.38Å | ||
| 49 | N | 94.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | trans | -67.8 | 136.9 | 162.9 | -57.1 | -58.4 | 0 | 0 | 0 | 107.7 | C44 D45 L47 C80 G82 | C44-N49 CarbonylContact C-O 3.58Å; C44-N49 WeakPolarHBondContact CA-O 3.39Å; D45-N49 PolarHBondContact N-O 2.83Å; D45-N49 VanDerWaalsContact N-O 3.09Å; D45-N49 WeakPolarHBondContact OD1-CB 3.29Å; D45-N49 PolarHBondContact OD1-N 3.22Å; D45-N49 PolarHBondContact OD1-ND2 2.88Å; D45-N49 WeakPolarHBondContact OD2-CB 3.21Å; D45-N49 PolarHBondContact OD2-ND2 3.11Å; L47-N49 PolarHBondContact O-N 3.36Å; N49-C80 VanDerWaalsContact CA-O 3.29Å; N49-C80 WeakPolarHBondContact CA-O 3.34Å; N49-G82 PolarHBondContact OD1-N 3.07Å | ||
| 50 | M | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.8 | -174.3 | -64.5 | 170.5 | -72.3 | 0 | 0 | 110.1 | L19 I27 V29 L41 G43 C44 I52 V79 C80 V85 V88 | L19-M50 HydrophobicContact CD1-CG 4.25Å; L19-M50 HydrophobicContact CD1-SD 4.24Å; I27-M50 HydrophobicContact CD1-SD 4.05Å; V29-M50 HydrophobicContact CG1-CE 3.82Å; V29-M50 HydrophobicContact CG2-CE 4.09Å; V29-M50 HydrophobicContact CG2-SD 4.36Å; L41-M50 HydrophobicContact CD1-CB 3.81Å; L41-M50 HydrophobicContact CD1-CG 3.91Å; L41-M50 HydrophobicContact CD1-SD 4.38Å; G43-M50 WeakPolarHBondContact O-CA 3.13Å; C44-M50 HydrophobicContact CB-CG 4.25Å; M50-I52 HydrophobicContact CB-CD1 4.42Å; M50-I52 HydrophobicContact CB-CG1 4.11Å; M50-V79 CarbonylContact O-C 3.59Å; M50-V79 WeakPolarHBondContact O-CA 3.43Å; M50-C80 HydrophobicContact CB-CB 4.17Å; M50-C80 HydrophobicContact CE-CB 4.08Å; M50-C80 PolarHBondContact N-O 3.41Å; M50-C80 VanDerWaalsContact N-O 3.07Å; M50-C80 PolarHBondContact O-N 3.04Å; M50-V85 HydrophobicContact CE-CB 4.47Å; M50-V85 HydrophobicContact CE-CG1 4.17Å; M50-V85 HydrophobicContact CE-CG2 3.5Å; M50-V85 VanDerWaalsContact CE-CG2 3.5Å; M50-V88 HydrophobicContact CE-CG2 4.23Å; M50-V88 HydrophobicContact SD-CG2 4.14Å |
| 51 | V | 98 | Very high | 94 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.3 | 165.5 | -176.7 | 0 | 0 | 0 | 0 | 106.9 | K42 G43 L77 V78 | K42-V51 HydrophobicContact CB-CB 4.37Å; K42-V51 HydrophobicContact CB-CG1 4.17Å; K42-V51 PolarHBondContact N-O 2.8Å; G43-V51 PolarHBondContact O-N 3.04Å; V51-L77 HydrophobicContact CG1-CD1 3.67Å; V51-L77 HydrophobicContact CG1-CG 4.49Å; V51-V78 WeakPolarHBondContact CA-O 3.3Å |
| 52 | I | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.5 | -178 | -52.2 | -176.2 | 0 | 0 | 0 | 108.6 | I27 V29 G39 I40 M50 T55 L77 V78 C80 | I27-I52 HydrophobicContact CD1-CD1 4.03Å; I27-I52 HydrophobicContact CG1-CD1 4.44Å; V29-I52 HydrophobicContact CG2-CD1 3.78Å; G39-I52 VanDerWaalsContact C-CG2 3.44Å; G39-I52 VanDerWaalsContact CA-CG2 3.43Å; I40-I52 CarbonylContact O-C 3.53Å; I40-I52 WeakPolarHBondContact O-CA 3.49Å; M50-I52 HydrophobicContact CB-CD1 4.42Å; M50-I52 HydrophobicContact CB-CG1 4.11Å; I52-T55 WeakPolarHBondContact CG2-OG1 3.39Å; I52-T55 PolarHBondContact O-OG1 3.25Å; I52-T55 VanDerWaalsContact O-OG1 3.11Å; I52-L77 WeakPolarHBondContact O-CA 3.35Å; I52-V78 HydrophobicContact CB-CG2 3.93Å; I52-V78 PolarHBondContact N-O 3.04Å; I52-V78 PolarHBondContact O-N 2.8Å; I52-C80 VanDerWaalsContact CD1-SG 3.52Å |
| 53 | D | 98 | Very high | 92.7 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 156.7 | 178.6 | -166.2 | 14.4 | 0 | 0 | 0 | 111.1 | G39 I40 K42 T55 L77 | G39-D53 WeakPolarHBondContact CA-O 3.29Å; I40-D53 PolarHBondContact N-O 2.94Å; I40-D53 PolarHBondContact O-N 3.29Å; K42-D53 HydrophobicContact CD-CB 4.32Å; K42-D53 HydrophobicContact CG-CB 3.63Å; D53-T55 VanDerWaalsContact C-N 3.27Å; D53-T55 PolarHBondContact O-N 3.08Å; D53-L77 HydrophobicContact CB-CD1 3.98Å |
| 54 | C | 97 | Very high | 91.9 | Very high | 67 Ų | 67 | 58 Ų | 58 | 45% | 0.453 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.3 | 49.1 | -173.2 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | A76 | C54-A76 PolarHBondContact N-O 2.82Å |
| 55 | T | 97.7 | Very high | 91 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121 | -172.7 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | A37 V38 I52 D53 L75 A76 V78 | A37-T55 HydrophobicContact CB-CG2 3.92Å; V38-T55 CarbonylContact O-C 3.59Å; V38-T55 WeakPolarHBondContact O-CA 3.42Å; I52-T55 WeakPolarHBondContact CG2-OG1 3.39Å; I52-T55 PolarHBondContact O-OG1 3.25Å; I52-T55 VanDerWaalsContact O-OG1 3.11Å; D53-T55 VanDerWaalsContact C-N 3.27Å; D53-T55 PolarHBondContact O-N 3.08Å; T55-L75 PolarHBondContact O-N 3.32Å; T55-A76 WeakPolarHBondContact CB-O 3.43Å; T55-A76 PolarHBondContact N-O 2.97Å; T55-A76 PolarHBondContact OG1-O 2.88Å; T55-A76 VanDerWaalsContact OG1-O 3.07Å; T55-V78 HydrophobicContact CG2-CG1 4.27Å; T55-V78 HydrophobicContact CG2-CG2 3.91Å; T55-V78 WeakPolarHBondContact OG1-CG2 3.46Å |
| 56 | T | 96.6 | Very high | 90.1 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.3 | 168.8 | -49.2 | 0 | 0 | 0 | 0 | 109 | A37 V38 T72 R73 E74 | A37-T56 CarbonylContact C-O 3.44Å; A37-T56 WeakPolarHBondContact CA-O 3.23Å; V38-T56 PolarHBondContact N-O 2.83Å; V38-T56 PolarHBondContact O-N 2.96Å; T56-T72 HydrophobicContact CG2-CG2 3.79Å; T56-R73 WeakPolarHBondContact CA-O 3.36Å; T56-E74 WeakPolarHBondContact CB-OE1 3.35Å; T56-E74 WeakPolarHBondContact CG2-OE1 3.33Å; T56-E74 PolarHBondContact OG1-OE1 2.64Å |
| 57 | E | 95.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133 | 171.7 | 178.1 | 174.1 | -164.8 | 0 | 0 | 110.7 | R35 E36 T72 R73 L75 | R35-E57 IonicContact CZ-OE1 2.9Å; R35-E57 VanDerWaalsContact CZ-OE1 3.25Å; R35-E57 IonicContact NE-OE1 3.25Å; R35-E57 PolarHBondContact NE-OE1 2.79Å; R35-E57 VanDerWaalsContact NH2-CD 3.34Å; R35-E57 IonicContact NH2-OE1 3.34Å; R35-E57 PolarHBondContact NH2-OE1 3.07Å; R35-E57 IonicContact NH2-OE2 3.07Å; R35-E57 PolarHBondContact NH2-OE2 2.8Å; E36-E57 CarbonylContact O-C 3.56Å; E36-E57 WeakPolarHBondContact O-CA 3.16Å; E57-T72 CarbonylContact O-C 3.56Å; E57-T72 WeakPolarHBondContact O-CA 3.45Å; E57-R73 HydrophobicContact CB-CG 3.91Å; E57-R73 VanDerWaalsContact CD-NH2 3.31Å; E57-R73 PolarHBondContact N-O 2.62Å; E57-R73 PolarHBondContact O-N 2.86Å; E57-R73 IonicContact OE1-NH2 2.65Å; E57-R73 PolarHBondContact OE1-NH2 3.41Å; E57-R73 IonicContact OE2-CZ 3.07Å; E57-R73 IonicContact OE2-NE 2.71Å; E57-R73 PolarHBondContact OE2-NE 3.47Å; E57-R73 IonicContact OE2-NH2 2.74Å; E57-R73 PolarHBondContact OE2-NH2 2.67Å; E57-L75 HydrophobicContact CB-CD1 4.1Å |
| 58 | F | 93.1 | Very high | 88.7 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 21% | 0.211 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.1 | 172.1 | -66.5 | -96.8 | 0 | 0 | 0 | 109 | E36 V38 L68 T72 | E36-F58 HydrophobicContact CB-CB 4.39Å; E36-F58 HydrophobicContact CG-CD2 4.28Å; E36-F58 PolarHBondContact O-N 2.78Å; V38-F58 HydrophobicContact CB-CE2 4.13Å; V38-F58 HydrophobicContact CG2-CD2 4.34Å; V38-F58 HydrophobicContact CG2-CE2 3.55Å; V38-F58 HydrophobicContact CG2-CZ 4.42Å; F58-L68 HydrophobicContact CB-CD2 3.73Å; F58-T72 HydrophobicContact CD1-CG2 3.87Å; F58-T72 HydrophobicContact CE1-CG2 3.91Å; F58-T72 HydrophobicContact CG-CG2 4.39Å; F58-T72 HydrophobicContact CZ-CG2 4.45Å |
| 59 | L | 91 | Very high | 88.2 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 151.2 | 178.6 | -58.6 | 179.6 | 0 | 0 | 0 | 109.8 | T69 D71 R73 | L59-T69 PolarHBondContact O-N 2.85Å; L59-T69 PolarHBondContact O-OG1 3.04Å; L59-T69 VanDerWaalsContact O-OG1 3.07Å; L59-D71 HydrophobicContact CB-CB 4.18Å; L59-D71 WeakPolarHBondContact CB-O 3.11Å; L59-D71 HydrophobicContact CD1-CB 4Å; L59-D71 HydrophobicContact CG-CB 4.43Å; L59-D71 PolarHBondContact N-O 2.91Å; L59-R73 HydrophobicContact CD2-CG 4.11Å |
| 60 | R | 86.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 69 Ų | 69 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 152.1 | 174.7 | -71.9 | -170.5 | 171.8 | -131.3 | -2.7 | 109.4 | G34 P65 | G34-R60 VanDerWaalsContact C-CZ 3.42Å; G34-R60 VanDerWaalsContact C-NH2 3.34Å; G34-R60 PolarHBondContact O-NE 2.92Å; G34-R60 PolarHBondContact O-NH2 2.65Å; R60-P65 WeakPolarHBondContact CD-O 3.44Å; R60-P65 PolarHBondContact NH1-O 2.82Å |
| 61 | D | 84.1 | Confident | 87.3 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 20% | 0.198 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 125.2 | 173.7 | -166.9 | -40.1 | 0 | 0 | 0 | 108.3 | D63 D64 R67 T69 | D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 WeakPolarHBondContact OD1-CB 3.48Å; D61-D63 PolarHBondContact OD1-N 2.93Å; D61-D64 HydrophobicContact CB-CB 4.43Å; D61-D64 CarbonylContact O-C 3.3Å; D61-D64 VanDerWaalsContact O-C 3.3Å; D61-D64 PolarHBondContact O-N 2.85Å; D61-D64 PolarHBondContact OD1-N 2.83Å; D61-R67 HydrophobicContact CB-CB 4.12Å; D61-R67 PolarHBondContact N-O 3.22Å; D61-T69 HydrophobicContact CB-CG2 3.85Å |
| 62 | P | 83 | Confident | 87.1 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -63.4 | -24.6 | 177.9 | 24.5 | -32.4 | 0 | 0 | 0 | 112.8 | ||
| 63 | D | 84.5 | Confident | 87 | Confident | 153 Ų | 153 | 80 Ų | 80 | 82% | 0.818 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -90.2 | -29.1 | -179.8 | -63.1 | -38.9 | 0 | 0 | 0 | 112.3 | D61 | D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 WeakPolarHBondContact OD1-CB 3.48Å; D61-D63 PolarHBondContact OD1-N 2.93Å |
| 64 | D | 81.1 | Confident | 87 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | trans | -129.3 | 97.2 | 175.3 | -175.2 | -1.5 | 0 | 0 | 0 | 111.8 | D61 H66 R67 | D61-D64 HydrophobicContact CB-CB 4.43Å; D61-D64 CarbonylContact O-C 3.3Å; D61-D64 VanDerWaalsContact O-C 3.3Å; D61-D64 PolarHBondContact O-N 2.85Å; D61-D64 PolarHBondContact OD1-N 2.83Å; D64-H66 PolarHBondContact O-N 3.07Å; D64-H66 WeakPolarHBondContact OD1-CB 3.4Å; D64-H66 IonicContact OD1-CD2 3.7Å; D64-H66 IonicContact OD1-CG 3.93Å; D64-H66 PolarHBondContact OD1-N 3.11Å; D64-R67 HydrophobicContact CB-CB 4.11Å; D64-R67 PolarHBondContact O-N 3.34Å | ||
| 65 | P | 75.4 | Confident | 87 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.7 | 177.3 | -24.7 | 34 | 0 | 0 | 0 | 114.1 | R60 | R60-P65 WeakPolarHBondContact CD-O 3.44Å; R60-P65 PolarHBondContact NH1-O 2.82Å |
| 66 | H | 73.9 | Confident | 86.9 | Confident | 165 Ų | 165 | 86.2 Ų | 86.2 | 76% | 0.764 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -11.5 | 177.8 | -61.9 | -74.3 | 0 | 0 | 0 | 113.6 | D64 | D64-H66 PolarHBondContact O-N 3.07Å; D64-H66 WeakPolarHBondContact OD1-CB 3.4Å; D64-H66 IonicContact OD1-CD2 3.7Å; D64-H66 IonicContact OD1-CG 3.93Å; D64-H66 PolarHBondContact OD1-N 3.11Å |
| 67 | R | 76 | Confident | 87 | Confident | 160 Ų | 160 | 90.7 Ų | 90.7 | 60% | 0.604 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 119.6 | -179.6 | -168.7 | 174.4 | 179.6 | 170.8 | -2.2 | 110.8 | D61 D64 | D61-R67 HydrophobicContact CB-CB 4.12Å; D61-R67 PolarHBondContact N-O 3.22Å; D64-R67 HydrophobicContact CB-CB 4.11Å; D64-R67 PolarHBondContact O-N 3.34Å |
| 68 | L | 71.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 91.7 Ų | 91.7 | 36% | 0.361 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.4 | 163.9 | -75.4 | 153.9 | 0 | 0 | 0 | 107.8 | E36 F58 | E36-L68 HydrophobicContact CB-CD2 4.26Å; E36-L68 WeakPolarHBondContact OE2-CD1 3.36Å; F58-L68 HydrophobicContact CB-CD2 3.73Å |
| 69 | T | 79.3 | Confident | 87.3 | Confident | 29 Ų | 29 | 94.5 Ų | 94.5 | 18% | 0.178 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 164.5 | 166.4 | 62.4 | 0 | 0 | 0 | 0 | 108.9 | L59 D61 D71 | L59-T69 PolarHBondContact O-N 2.85Å; L59-T69 PolarHBondContact O-OG1 3.04Å; L59-T69 VanDerWaalsContact O-OG1 3.07Å; D61-T69 HydrophobicContact CB-CG2 3.85Å; T69-D71 PolarHBondContact O-N 2.93Å; T69-D71 WeakPolarHBondContact OG1-CB 3.39Å; T69-D71 PolarHBondContact OG1-N 2.86Å |
| 70 | E | 82.1 | Confident | 87.5 | Confident | 190 Ų | 190 | 92.2 Ų | 92.2 | 89% | 0.888 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -6.4 | 169.3 | -63.9 | -172.7 | 170.5 | 0 | 0 | 111.7 | T72 | E70-T72 PolarHBondContact O-N 2.97Å |
| 71 | D | 89.9 | Confident | 88 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.8 | -178.9 | -58.7 | -43.1 | 0 | 0 | 0 | 110.8 | L59 T69 | L59-D71 HydrophobicContact CB-CB 4.18Å; L59-D71 WeakPolarHBondContact CB-O 3.11Å; L59-D71 HydrophobicContact CD1-CB 4Å; L59-D71 HydrophobicContact CG-CB 4.43Å; L59-D71 PolarHBondContact N-O 2.91Å; T69-D71 PolarHBondContact O-N 2.93Å; T69-D71 WeakPolarHBondContact OG1-CB 3.39Å; T69-D71 PolarHBondContact OG1-N 2.86Å |
| 72 | T | 94.8 | Very high | 88.5 | Confident | 74 Ų | 74 | 95 Ų | 95 | 45% | 0.454 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | T56 E57 F58 E70 | T56-T72 HydrophobicContact CG2-CG2 3.79Å; E57-T72 CarbonylContact O-C 3.56Å; E57-T72 WeakPolarHBondContact O-CA 3.45Å; F58-T72 HydrophobicContact CD1-CG2 3.87Å; F58-T72 HydrophobicContact CE1-CG2 3.91Å; F58-T72 HydrophobicContact CG-CG2 4.39Å; F58-T72 HydrophobicContact CZ-CG2 4.45Å; E70-T72 PolarHBondContact O-N 2.97Å |
| 73 | R | 95.5 | Very high | 89 | Confident | 112 Ų | 112 | 94.5 Ų | 94.5 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.8 | 167.4 | 67.4 | 175.3 | 179.6 | -165 | -2.7 | 111.9 | T56 E57 L59 L75 | T56-R73 WeakPolarHBondContact CA-O 3.36Å; E57-R73 HydrophobicContact CB-CG 3.91Å; E57-R73 VanDerWaalsContact CD-NH2 3.31Å; E57-R73 PolarHBondContact N-O 2.62Å; E57-R73 PolarHBondContact O-N 2.86Å; E57-R73 IonicContact OE1-NH2 2.65Å; E57-R73 PolarHBondContact OE1-NH2 3.41Å; E57-R73 IonicContact OE2-CZ 3.07Å; E57-R73 IonicContact OE2-NE 2.71Å; E57-R73 PolarHBondContact OE2-NE 3.47Å; E57-R73 IonicContact OE2-NH2 2.74Å; E57-R73 PolarHBondContact OE2-NH2 2.67Å; L59-R73 HydrophobicContact CD2-CG 4.11Å; R73-L75 HydrophobicContact CG-CD2 4.34Å |
| 74 | E | 97.1 | Very high | 89.6 | Confident | 125 Ų | 125 | 89.5 Ų | 89.5 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.3 | 175.3 | -68.1 | -61.5 | 135.1 | 0 | 0 | 110.4 | T56 | T56-E74 WeakPolarHBondContact CB-OE1 3.35Å; T56-E74 WeakPolarHBondContact CG2-OE1 3.33Å; T56-E74 PolarHBondContact OG1-OE1 2.64Å |
| 75 | L | 97.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 87.4 Ų | 87.4 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -5.6 | 178.4 | -60.3 | 179 | 0 | 0 | 0 | 112.9 | T55 E57 R73 L77 V78 | T55-L75 PolarHBondContact O-N 3.32Å; E57-L75 HydrophobicContact CB-CD1 4.1Å; R73-L75 HydrophobicContact CG-CD2 4.34Å; L75-L77 PolarHBondContact O-N 2.7Å; L75-V78 HydrophobicContact CB-CG1 3.51Å; L75-V78 HydrophobicContact CD1-CG1 4.09Å; L75-V78 HydrophobicContact CG-CG1 4.47Å |
| 76 | A | 96.7 | Very high | 91.1 | Very high | 58 Ų | 58 | 90.1 Ų | 90.1 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.2 | -116.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C54 T55 | C54-A76 PolarHBondContact N-O 2.82Å; T55-A76 WeakPolarHBondContact CB-O 3.43Å; T55-A76 PolarHBondContact N-O 2.97Å; T55-A76 PolarHBondContact OG1-O 2.88Å; T55-A76 VanDerWaalsContact OG1-O 3.07Å |
| 77 | L | 98 | Very high | 92 | Very high | 109 Ų | 109 | 86.2 Ų | 86.2 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.1 | -178.5 | -174.6 | 68.9 | 0 | 0 | 0 | 110.8 | V51 I52 D53 L75 | V51-L77 HydrophobicContact CG1-CD1 3.67Å; V51-L77 HydrophobicContact CG1-CG 4.49Å; I52-L77 WeakPolarHBondContact O-CA 3.35Å; D53-L77 HydrophobicContact CB-CD1 3.98Å; L75-L77 PolarHBondContact O-N 2.7Å |
| 78 | V | 97.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 80.6 Ų | 80.6 | 18% | 0.176 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.5 | -179.8 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | V51 I52 T55 L75 | V51-V78 WeakPolarHBondContact CA-O 3.3Å; I52-V78 HydrophobicContact CB-CG2 3.93Å; I52-V78 PolarHBondContact N-O 3.04Å; I52-V78 PolarHBondContact O-N 2.8Å; T55-V78 HydrophobicContact CG2-CG1 4.27Å; T55-V78 HydrophobicContact CG2-CG2 3.91Å; T55-V78 WeakPolarHBondContact OG1-CG2 3.46Å; L75-V78 HydrophobicContact CB-CG1 3.51Å; L75-V78 HydrophobicContact CD1-CG1 4.09Å; L75-V78 HydrophobicContact CG-CG1 4.47Å |
| 79 | V | 97.4 | Very high | 93.9 | Very high | 108 Ų | 108 | 78.7 Ų | 78.7 | 66% | 0.655 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.1 | 166.6 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | M50 | M50-V79 CarbonylContact O-C 3.59Å; M50-V79 WeakPolarHBondContact O-CA 3.43Å |
| 80 | C | 96.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 79.5 Ų | 79.5 | 6% | 0.061 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.2 | 177.3 | -58 | 0 | 0 | 0 | 0 | 110.1 | F31 N49 M50 I52 | F31-C80 HydrophobicContact CE1-CB 3.85Å; F31-C80 HydrophobicContact CZ-CB 3.8Å; N49-C80 VanDerWaalsContact CA-O 3.29Å; N49-C80 WeakPolarHBondContact CA-O 3.34Å; M50-C80 HydrophobicContact CB-CB 4.17Å; M50-C80 HydrophobicContact CE-CB 4.08Å; M50-C80 PolarHBondContact N-O 3.41Å; M50-C80 VanDerWaalsContact N-O 3.07Å; M50-C80 PolarHBondContact O-N 3.04Å; I52-C80 VanDerWaalsContact CD1-SG 3.52Å |
| 81 | R | 96.3 | Very high | 94.9 | Very high | 166 Ų | 166 | 71.8 Ų | 71.8 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | trans | -84.9 | 113.5 | 178.9 | -65.5 | -72.1 | -67.1 | -178.4 | -0.8 | 109.7 | P83 S84 | R81-P83 VanDerWaalsContact C-CD 3.44Å; R81-P83 VanDerWaalsContact C-N 3.35Å; R81-S84 PolarHBondContact O-N 3.05Å | ||
| 82 | G | 94.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 74 Ų | 74 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -52.3 | -40.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L47 Q48 N49 S84 V85 | L47-G82 WeakPolarHBondContact O-CA 3.47Å; Q48-G82 WeakPolarHBondContact O-CA 3.38Å; N49-G82 PolarHBondContact OD1-N 3.07Å; G82-S84 PolarHBondContact O-N 2.87Å; G82-V85 WeakPolarHBondContact O-CB 3.42Å; G82-V85 PolarHBondContact O-N 2.89Å |
| 83 | P | 94.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 74.2 Ų | 74.2 | 70% | 0.695 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -60.7 | -17.5 | 177.5 | -27.6 | 36.3 | 0 | 0 | 0 | 115.8 | R81 | R81-P83 VanDerWaalsContact C-CD 3.44Å; R81-P83 VanDerWaalsContact C-N 3.35Å |
| 84 | S | 95.5 | Very high | 94.1 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -99.2 | -1.1 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | F31 S32 R81 G82 | F31-S84 CarbonylContact C-O 3.6Å; F31-S84 WeakPolarHBondContact CA-O 3.34Å; F31-S84 WeakPolarHBondContact CB-O 3.49Å; S32-S84 PolarHBondContact N-O 2.85Å; S32-S84 PolarHBondContact OG-O 2.86Å; R81-S84 PolarHBondContact O-N 3.05Å; G82-S84 PolarHBondContact O-N 2.87Å |
| 85 | V | 94.9 | Very high | 93.7 | Very high | 26 Ų | 26 | 75.1 Ų | 75.1 | 16% | 0.158 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126 | -177.3 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | V29 F31 M50 G82 V88 | V29-V85 HydrophobicContact CG1-CG1 3.96Å; V29-V85 HydrophobicContact CG1-CG2 4.19Å; F31-V85 HydrophobicContact CD1-CG2 4.1Å; F31-V85 HydrophobicContact CE1-CG2 3.79Å; M50-V85 HydrophobicContact CE-CB 4.47Å; M50-V85 HydrophobicContact CE-CG1 4.17Å; M50-V85 HydrophobicContact CE-CG2 3.5Å; M50-V85 VanDerWaalsContact CE-CG2 3.5Å; G82-V85 WeakPolarHBondContact O-CB 3.42Å; G82-V85 PolarHBondContact O-N 2.89Å; V85-V88 HydrophobicContact CG1-CG2 3.6Å |
| 86 | E | 94.1 | Very high | 93.2 | Very high | 137 Ų | 137 | 78.1 Ų | 78.1 | 64% | 0.64 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -38.8 | 176.1 | -69.6 | -176.2 | 167.9 | 0 | 0 | 112.1 | K30 S32 | K30-E86 PolarHBondContact O-N 2.91Å; S32-E86 VanDerWaalsContact CA-OE1 3.23Å; S32-E86 WeakPolarHBondContact CA-OE1 3.41Å |
| 87 | L | 93.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 80.2 Ų | 80.2 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.4 | -177.2 | -175 | 79.4 | 0 | 0 | 0 | 110.2 | V29 K30 | V29-L87 WeakPolarHBondContact CA-O 3.47Å; K30-L87 HydrophobicContact CB-CB 4.05Å; K30-L87 HydrophobicContact CD-CD2 4.01Å; K30-L87 HydrophobicContact CG-CB 4.37Å; K30-L87 HydrophobicContact CG-CD2 4.27Å; K30-L87 PolarHBondContact N-O 3.24Å; K30-L87 PolarHBondContact O-N 2.81Å |
| 88 | V | 94.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 79.6 Ų | 79.6 | 26% | 0.261 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.7 | 164.6 | -176.8 | 0 | 0 | 0 | 0 | 108 | L19 I27 R28 V29 M50 V85 | L19-V88 HydrophobicContact CD2-CB 4.4Å; L19-V88 HydrophobicContact CD2-CG1 3.95Å; I27-V88 HydrophobicContact CB-CG1 4.38Å; I27-V88 HydrophobicContact CD1-CG1 4.09Å; R28-V88 WeakPolarHBondContact O-CA 3.46Å; V29-V88 HydrophobicContact CG1-CG2 4.4Å; V29-V88 HydrophobicContact CG2-CG2 4.4Å; M50-V88 HydrophobicContact CE-CG2 4.23Å; M50-V88 HydrophobicContact SD-CG2 4.14Å; V85-V88 HydrophobicContact CG1-CG2 3.6Å |
| 89 | C | 93.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 82.8 Ų | 82.8 | 19% | 0.189 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.7 | 173.3 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | I27 R28 A91 | I27-C89 CarbonylContact C-O 3.57Å; I27-C89 WeakPolarHBondContact CA-O 3.22Å; R28-C89 PolarHBondContact N-O 3.42Å; R28-C89 PolarHBondContact O-N 3.5Å; C89-A91 PolarHBondContact O-N 2.74Å |
| 90 | P | 94.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 82.2 Ų | 82.2 | 31% | 0.305 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 138.6 | 166.3 | 26.7 | -32.4 | 0 | 0 | 0 | 109.2 | Y22 | Y22-P90 HydrophobicContact CD1-CB 4.23Å; Y22-P90 HydrophobicContact CE1-CB 3.88Å; Y22-P90 HydrophobicContact CE1-CG 4.01Å |
| 91 | A | 88 | Confident | 91.6 | Very high | 27 Ų | 27 | 90.8 Ų | 90.8 | 22% | 0.223 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -72.5 | -25.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R26 C89 M94 | R26-A91 HydrophobicContact CB-CB 4.01Å; R26-A91 HydrophobicContact CG-CB 3.78Å; R26-A91 WeakPolarHBondContact O-CB 3.47Å; R26-A91 PolarHBondContact O-N 3.31Å; C89-A91 PolarHBondContact O-N 2.74Å; A91-M94 PolarHBondContact O-N 2.9Å |
| 92 | D | 87.8 | Confident | 91.2 | Very high | 149 Ų | 149 | 87.4 Ų | 87.4 | 80% | 0.797 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 134.6 | 174.3 | -168.7 | 18.4 | 0 | 0 | 0 | 110.9 | M94 | D92-M94 VanDerWaalsContact C-N 3.28Å; D92-M94 PolarHBondContact O-N 3.34Å |
| 93 | G | 87.1 | Confident | 90.5 | Very high | 78 Ų | 78 | 95.6 Ų | 95.6 | 80% | 0.804 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 2.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 94 | M | 87.4 | Confident | 89.5 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | trans | -91.5 | 120 | 173.2 | -177 | 178.9 | -177 | 0 | 0 | 110.5 | R28 A91 D92 | R28-M94 WeakPolarHBondContact CD-SD 3.47Å; R28-M94 PolarHBondContact NE-SD 2.65Å; R28-M94 VanDerWaalsContact NE-SD 3.36Å; A91-M94 PolarHBondContact O-N 2.9Å; D92-M94 VanDerWaalsContact C-N 3.28Å; D92-M94 PolarHBondContact O-N 3.34Å | ||
| 95 | E | 88.4 | Confident | 88 | Confident | 157 Ų | 157 | 109.2 Ų | 109.2 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | trans | -133.4 | 150.1 | 173.4 | 62 | 178.4 | -178 | 0 | 0 | 111.5 | I97 | E95-I97 HydrophobicContact CG-CG2 3.87Š| ||
| 96 | S | 87 | Confident | 87.6 | Confident | 128 Ų | 128 | 113.4 Ų | 113.4 | 90% | 0.895 | 62% | 0.617 | S | S | * | * | trans | -80.6 | 121.1 | 169.8 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 97 | I | 89.8 | Confident | 87.3 | Confident | 103 Ų | 103 | 112.2 Ų | 112.2 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | trans | -109.8 | 151 | 179.1 | 61.8 | 172.4 | 0 | 0 | 0 | 110.5 | E95 | E95-I97 HydrophobicContact CG-CG2 3.87Š| ||
| 98 | P | 89.8 | Confident | 86.9 | Confident | 95 Ų | 95 | 113.8 Ų | 113.8 | 62% | 0.617 | 63% | 0.626 | S | S | * | * | trans | -61.8 | 164.9 | 165.3 | 29.4 | -35.3 | 0 | 0 | 0 | 110.3 | P100 | P98-P100 WeakPolarHBondContact O-CD 3.45Å; P98-P100 VanDerWaalsContact O-N 3.11Å | ||
| 99 | N | 91.2 | Very high | 86.5 | Confident | 97 Ų | 97 | 118 Ų | 118 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | trans | -57.5 | 117.3 | 176.9 | -177.4 | -21.8 | 0 | 0 | 0 | 110.4 | F101 V102 | N99-F101 PolarHBondContact O-N 2.71Å; N99-F101 VanDerWaalsContact O-N 3.15Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.44Å; N99-F101 PolarHBondContact OD1-N 3.07Å; N99-V102 HydrophobicContact CB-CB 4.49Å; N99-V102 HydrophobicContact CB-CG2 3.83Å; N99-V102 PolarHBondContact O-N 3.42Å | ||
| 100 | P | 91.2 | Very high | 86.1 | Confident | 96 Ų | 96 | 123.6 Ų | 123.6 | 62% | 0.623 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -5.2 | -172.3 | 31.1 | -36.7 | 0 | 0 | 0 | 113.8 | P98 | P98-P100 WeakPolarHBondContact O-CD 3.45Å; P98-P100 VanDerWaalsContact O-N 3.11Å |
| 101 | F | 91.1 | Very high | 85.5 | Confident | 188 Ų | 188 | 128.7 Ų | 128.7 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -10.8 | 179.5 | -55.8 | -74 | 0 | 0 | 0 | 113.3 | N99 Q103 | N99-F101 PolarHBondContact O-N 2.71Å; N99-F101 VanDerWaalsContact O-N 3.15Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.44Å; N99-F101 PolarHBondContact OD1-N 3.07Å; F101-Q103 PolarHBondContact O-N 3.38Å |
| 102 | V | 88.8 | Confident | 85.4 | Confident | 96 Ų | 96 | 136 Ų | 136 | 58% | 0.582 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -79.8 | 117 | 173.5 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | N99 Q104 | N99-V102 HydrophobicContact CB-CB 4.49Å; N99-V102 HydrophobicContact CB-CG2 3.83Å; N99-V102 PolarHBondContact O-N 3.42Å; V102-Q104 PolarHBondContact O-N 3.44Å; V102-Q104 VanDerWaalsContact O-N 3.17Å |
| 103 | Q | 78.9 | Confident | 85.2 | Confident | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.9 | 169.5 | -72.3 | 177.7 | -18.6 | 0 | 0 | 107.4 | F101 E105 | F101-Q103 PolarHBondContact O-N 3.38Å; Q103-E105 PolarHBondContact O-N 2.86Å |
| 104 | Q | 73.9 | Confident | 85 | Confident | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 118 | 168.6 | -68.7 | 177 | -5.5 | 0 | 0 | 106.5 | V102 | V102-Q104 PolarHBondContact O-N 3.44Å; V102-Q104 VanDerWaalsContact O-N 3.17Å |
| 105 | E | 62.7 | Low | 84.8 | Confident | 270 Ų | 270 | 143.5 Ų | 143.5 | 100% | 1.262 | 75% | 0.746 | S | S | * | * | trans | -62.6 | 0 | 172.3 | -74.5 | -178.1 | 160.5 | 0 | 0 | 111.8 | Q103 | Q103-E105 PolarHBondContact O-N 2.86Š|
Retrieved 105 of 105 residues in 408.3 ms
(Link to these results)