| 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 | 48.2 | Very low | 76.7 | Confident | 227 Ų | 227 | 100.9 Ų | 100.9 | 100% | 1.118 | 59% | 0.587 | S | S | * | * | 0 | 102.6 | 0 | -173.7 | 177.3 | -75.4 | 0 | 0 | 107.2 | |||||
| 2 | A | 58.9 | Low | 76.3 | Confident | 81 Ų | 81 | 98.5 Ų | 98.5 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | trans | -84.3 | 114.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S4 | A2-S4 PolarHBondContact O-N 2.87Å; A2-S4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | L | 64.7 | Low | 75.7 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | trans | -71.2 | 106.8 | 176.4 | -72.1 | 165.6 | 0 | 0 | 0 | 108.2 | L5 | L3-L5 HydrophobicContact CB-CG 4.35Å; L3-L5 PolarHBondContact O-N 2.82Å | ||
| 4 | S | 77.3 | Confident | 75.2 | Confident | 73 Ų | 73 | 94.4 Ų | 94.4 | 51% | 0.51 | 58% | 0.58 | S | S | . | * | trans | -75.3 | 103.2 | 169.5 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | A2 A24 | A2-S4 PolarHBondContact O-N 2.87Å; A2-S4 VanDerWaalsContact O-N 3.12Å; S4-A24 VanDerWaalsContact OG-CA 3.25Å; S4-A24 WeakPolarHBondContact OG-CA 3.29Å; S4-A24 PolarHBondContact OG-O 3.21Å | ||
| 5 | L | 84.7 | Confident | 75.3 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | trans | -105.3 | 142.4 | 176.8 | -64.6 | 173.1 | 0 | 0 | 0 | 109.3 | L3 A24 I28 | L3-L5 HydrophobicContact CB-CG 4.35Å; L3-L5 PolarHBondContact O-N 2.82Å; L5-A24 PolarHBondContact O-N 2.83Å; L5-I28 HydrophobicContact CB-CB 4.39Å; L5-I28 HydrophobicContact CB-CG1 4.23Å; L5-I28 HydrophobicContact CB-CG2 4.16Å; L5-I28 HydrophobicContact CD1-CG2 4.15Å | ||
| 6 | K | 87.1 | Confident | 75.6 | Confident | 181 Ų | 181 | 91.1 Ų | 91.1 | 79% | 0.787 | 58% | 0.575 | S | S | * | * | trans | -95.7 | 127.7 | 172.7 | -78 | 179.2 | -178.3 | -176.5 | 0 | 109.3 | S23 A24 | K6-S23 WeakPolarHBondContact CA-OG 3.38Å; K6-A24 HydrophobicContact CG-CB 3.88Å | ||
| 7 | A | 88.8 | Confident | 76.1 | Confident | 31 Ų | 31 | 94.4 Ų | 94.4 | 26% | 0.256 | 58% | 0.579 | S | S | . | * | trans | -130.5 | 148.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | L20 S23 I28 L31 | A7-L20 HydrophobicContact CB-CB 4.48Å; A7-L20 HydrophobicContact CB-CD1 3.78Å; A7-L20 PolarHBondContact O-N 3.3Å; A7-S23 PolarHBondContact N-OG 3.22Å; A7-S23 VanDerWaalsContact O-CB 3.32Å; A7-S23 WeakPolarHBondContact O-CB 3.44Å; A7-S23 PolarHBondContact O-OG 3.15Å; A7-I28 HydrophobicContact CB-CD1 3.79Å; A7-L31 HydrophobicContact CB-CD1 4.2Å | ||
| 8 | G | 90.9 | Very high | 76.8 | Confident | 40 Ų | 40 | 93.3 Ų | 93.3 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 168.9 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T18 | G8-T18 CarbonylContact C-O 3.51Å; G8-T18 WeakPolarHBondContact CA-O 3.23Å |
| 9 | F | 87.7 | Confident | 77.5 | Confident | 126 Ų | 126 | 92.8 Ų | 92.8 | 55% | 0.553 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 163.7 | 176.2 | -50.7 | -77.7 | 0 | 0 | 0 | 109.5 | F17 T18 L20 Y45 | F9-F17 WeakPolarHBondContact O-CA 3.45Å; F9-T18 PolarHBondContact N-O 2.75Å; F9-T18 PolarHBondContact O-N 2.88Å; F9-L20 HydrophobicContact CD2-CD2 4.33Å; F9-L20 HydrophobicContact CE2-CD1 4.27Å; F9-L20 HydrophobicContact CE2-CD2 3.55Å; F9-L20 HydrophobicContact CE2-CG 4.03Å; F9-L20 HydrophobicContact CZ-CD1 4.38Å; F9-L20 HydrophobicContact CZ-CD2 4.3Å; F9-Y45 HydrophobicContact CE2-CD2 4.29Å; F9-Y45 HydrophobicContact CE2-CE2 4.15Å |
| 10 | N | 82 | Confident | 78.1 | Confident | 72 Ų | 72 | 89.3 Ų | 89.3 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | trans | -137 | 171.9 | 172.2 | 71.1 | 19.2 | 0 | 0 | 0 | 109.8 | G12 T15 G16 F17 | N10-G12 PolarHBondContact O-N 3.33Å; N10-G12 PolarHBondContact OD1-N 3.19Å; N10-T15 WeakPolarHBondContact CB-O 3.47Å; N10-G16 WeakPolarHBondContact CA-O 3.36Å; N10-F17 HydrophobicContact CB-CD1 3.63Å; N10-F17 HydrophobicContact CB-CE1 3.84Å; N10-F17 HydrophobicContact CB-CG 4.17Å; N10-F17 WeakPolarHBondContact ND2-CE1 3.42Å | ||
| 11 | G | 73.1 | Confident | 78.7 | Confident | 61 Ų | 61 | 87.1 Ų | 87.1 | 63% | 0.629 | 54% | 0.538 | S | S | * | . | trans | -71.7 | 18 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N13 T15 | G11-N13 PolarHBondContact O-N 2.95Å; G11-T15 PolarHBondContact N-O 2.9Å | ||
| 12 | G | 72.2 | Confident | 80.7 | Confident | 72 Ų | 72 | 79.9 Ų | 79.9 | 74% | 0.742 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 77 | -18.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | N10 | N10-G12 PolarHBondContact O-N 3.33Å; N10-G12 PolarHBondContact OD1-N 3.19Å |
| 13 | N | 68.2 | Low | 82.2 | Confident | 103 Ų | 103 | 77 Ų | 77 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -95.6 | 9.2 | 176.6 | 68.7 | -5.1 | 0 | 0 | 0 | 113.7 | G11 T15 | G11-N13 PolarHBondContact O-N 2.95Å; N13-T15 VanDerWaalsContact C-N 3.31Å; N13-T15 PolarHBondContact ND2-OG1 3.17Å; N13-T15 WeakPolarHBondContact OD1-CB 3.3Å; N13-T15 PolarHBondContact OD1-N 2.85Å; N13-T15 PolarHBondContact OD1-OG1 2.61Å |
| 14 | G | 69.7 | Low | 83.3 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 37% | 0.371 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 75.7 | 16.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F17 | G14-F17 WeakPolarHBondContact O-CE2 3.24Å; G14-F17 WeakPolarHBondContact O-CZ 3.07Å |
| 15 | T | 75.7 | Confident | 83.7 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | trans | -129 | 172.3 | 174.4 | 72.9 | 0 | 0 | 0 | 0 | 110.3 | N10 G11 N13 | N10-T15 WeakPolarHBondContact CB-O 3.47Å; G11-T15 PolarHBondContact N-O 2.9Å; N13-T15 VanDerWaalsContact C-N 3.31Å; N13-T15 PolarHBondContact ND2-OG1 3.17Å; N13-T15 WeakPolarHBondContact OD1-CB 3.3Å; N13-T15 PolarHBondContact OD1-N 2.85Å; N13-T15 PolarHBondContact OD1-OG1 2.61Å | ||
| 16 | G | 80.1 | Confident | 83.8 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 64.5 | 54.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N10 | N10-G16 WeakPolarHBondContact CA-O 3.36Š|
| 17 | F | 84 | Confident | 84 | Confident | 147 Ų | 147 | 63.9 Ų | 63.9 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | trans | -77 | 129.4 | -177.8 | -62.6 | -91.5 | 0 | 0 | 0 | 111.3 | F9 N10 G14 | F9-F17 WeakPolarHBondContact O-CA 3.45Å; N10-F17 HydrophobicContact CB-CD1 3.63Å; N10-F17 HydrophobicContact CB-CE1 3.84Å; N10-F17 HydrophobicContact CB-CG 4.17Å; N10-F17 WeakPolarHBondContact ND2-CE1 3.42Å; G14-F17 WeakPolarHBondContact O-CE2 3.24Å; G14-F17 WeakPolarHBondContact O-CZ 3.07Å | ||
| 18 | T | 88.3 | Confident | 84 | Confident | 75 Ų | 75 | 64 Ų | 64 | 46% | 0.46 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.5 | 172.3 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | G8 F9 Y45 | G8-T18 CarbonylContact C-O 3.51Å; G8-T18 WeakPolarHBondContact CA-O 3.23Å; F9-T18 PolarHBondContact N-O 2.75Å; F9-T18 PolarHBondContact O-N 2.88Å; T18-Y45 HydrophobicContact CG2-CD1 4.36Å; T18-Y45 HydrophobicContact CG2-CE1 4.18Å |
| 19 | S | 90.2 | Very high | 83.8 | Confident | 85 Ų | 85 | 68.3 Ų | 68.3 | 59% | 0.594 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 139.3 | 177.3 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 20 | L | 90.6 | Very high | 84 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 154.1 | 165.1 | -74.2 | 174.4 | 0 | 0 | 0 | 110 | A7 F9 S23 L31 Y45 | A7-L20 HydrophobicContact CB-CB 4.48Å; A7-L20 HydrophobicContact CB-CD1 3.78Å; A7-L20 PolarHBondContact O-N 3.3Å; F9-L20 HydrophobicContact CD2-CD2 4.33Å; F9-L20 HydrophobicContact CE2-CD1 4.27Å; F9-L20 HydrophobicContact CE2-CD2 3.55Å; F9-L20 HydrophobicContact CE2-CG 4.03Å; F9-L20 HydrophobicContact CZ-CD1 4.38Å; F9-L20 HydrophobicContact CZ-CD2 4.3Å; L20-S23 WeakPolarHBondContact O-CB 3.4Å; L20-S23 PolarHBondContact O-N 2.82Å; L20-L31 HydrophobicContact CB-CD1 4.1Å; L20-L31 HydrophobicContact CB-CD2 4.03Å; L20-L31 HydrophobicContact CD1-CD1 3.84Å; L20-Y45 HydrophobicContact CD2-CE2 3.44Å; L20-Y45 VanDerWaalsContact CD2-CE2 3.44Å; L20-Y45 WeakPolarHBondContact CD2-OH 3.46Å |
| 21 | P | 90 | Very high | 84.4 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 28% | 0.279 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 150.2 | 171 | 22.7 | -30.1 | 0 | 0 | 0 | 110.7 | S23 L31 W43 Y45 | P21-S23 PolarHBondContact O-N 3.49Å; P21-L31 HydrophobicContact CG-CD2 4.04Å; P21-L31 WeakPolarHBondContact O-CD2 3.31Å; P21-W43 HydrophobicContact CB-CH2 4.3Å; P21-W43 HydrophobicContact CB-CZ3 4.39Å; P21-W43 HydrophobicContact CG-CD2 4.33Å; P21-W43 HydrophobicContact CG-CE3 3.73Å; P21-W43 HydrophobicContact CG-CH2 3.3Å; P21-W43 HydrophobicContact CG-CZ2 3.93Å; P21-W43 HydrophobicContact CG-CZ3 3.19Å; P21-Y45 WeakPolarHBondContact CD-OH 3.39Å |
| 22 | Y | 91.2 | Very high | 85.3 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 7 | -175.5 | -38.2 | -69.2 | 0 | 0 | 0 | 115.3 | S25 K30 L31 F34 W43 | Y22-S25 WeakPolarHBondContact CA-OG 3.26Å; Y22-S25 PolarHBondContact O-OG 2.82Å; Y22-K30 HydrophobicContact CD1-CB 4.32Å; Y22-K30 HydrophobicContact CD1-CD 3.83Å; Y22-K30 HydrophobicContact CD2-CB 3.62Å; Y22-K30 HydrophobicContact CE1-CD 3.86Å; Y22-K30 HydrophobicContact CE2-CB 3.9Å; Y22-K30 HydrophobicContact CG-CB 3.84Å; Y22-K30 HydrophobicContact CG-CD 4.19Å; Y22-L31 HydrophobicContact CD2-CD2 4.33Å; Y22-F34 HydrophobicContact CE2-CB 4.24Å; Y22-F34 HydrophobicContact CE2-CD2 4.42Å; Y22-F34 HydrophobicContact CE2-CG 4.5Å; Y22-W43 HydrophobicContact CE2-CH2 4.23Å |
| 23 | S | 89.2 | Confident | 86.2 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 137.5 | 170.5 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | K6 A7 L20 P21 S25 | K6-S23 WeakPolarHBondContact CA-OG 3.38Å; A7-S23 PolarHBondContact N-OG 3.22Å; A7-S23 VanDerWaalsContact O-CB 3.32Å; A7-S23 WeakPolarHBondContact O-CB 3.44Å; A7-S23 PolarHBondContact O-OG 3.15Å; L20-S23 WeakPolarHBondContact O-CB 3.4Å; L20-S23 PolarHBondContact O-N 2.82Å; P21-S23 PolarHBondContact O-N 3.49Å; S23-S25 PolarHBondContact O-N 3.2Å |
| 24 | A | 87.4 | Confident | 87.4 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 9.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S4 L5 K6 | S4-A24 VanDerWaalsContact OG-CA 3.25Å; S4-A24 WeakPolarHBondContact OG-CA 3.29Å; S4-A24 PolarHBondContact OG-O 3.21Å; L5-A24 PolarHBondContact O-N 2.83Å; K6-A24 HydrophobicContact CG-CB 3.88Å |
| 25 | S | 87.2 | Confident | 88.5 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -1.8 | 179.5 | 69.9 | 0 | 0 | 0 | 0 | 114 | Y22 S23 E27 | Y22-S25 WeakPolarHBondContact CA-OG 3.26Å; Y22-S25 PolarHBondContact O-OG 2.82Å; S23-S25 PolarHBondContact O-N 3.2Å; S25-E27 PolarHBondContact O-N 3.46Å; S25-E27 WeakPolarHBondContact OG-CB 3.45Å; S25-E27 PolarHBondContact OG-N 2.85Å |
| 26 | G | 87.1 | Confident | 89.2 | Confident | 16 Ų | 16 | 63 Ų | 63 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 2.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 27 | E | 90 | Very high | 89.7 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | trans | -111.7 | 24.8 | -179.3 | -51.7 | -171.5 | 117.9 | 0 | 0 | 112.4 | S25 F29 K30 | S25-E27 PolarHBondContact O-N 3.46Å; S25-E27 WeakPolarHBondContact OG-CB 3.45Å; S25-E27 PolarHBondContact OG-N 2.85Å; E27-F29 HydrophobicContact CB-CE1 4.3Å; E27-F29 PolarHBondContact O-N 2.81Å; E27-K30 HydrophobicContact CB-CD 3.9Å; E27-K30 HydrophobicContact CB-CG 4.16Å; E27-K30 WeakPolarHBondContact O-CB 3.37Å; E27-K30 WeakPolarHBondContact O-CG 3.44Å; E27-K30 PolarHBondContact O-N 3.07Å; E27-K30 VanDerWaalsContact OE1-CE 3.25Å; E27-K30 WeakPolarHBondContact OE1-CE 3.45Å; E27-K30 IonicContact OE1-NZ 3.48Å; E27-K30 PolarHBondContact OE1-NZ 2.89Å; E27-K30 IonicContact OE2-NZ 2.63Å; E27-K30 PolarHBondContact OE2-NZ 3.2Å | ||
| 28 | I | 89.2 | Confident | 90.1 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -28.5 | -174.1 | -163.7 | 70.6 | 0 | 0 | 0 | 113.3 | L5 A7 K30 L31 | L5-I28 HydrophobicContact CB-CB 4.39Å; L5-I28 HydrophobicContact CB-CG1 4.23Å; L5-I28 HydrophobicContact CB-CG2 4.16Å; L5-I28 HydrophobicContact CD1-CG2 4.15Å; A7-I28 HydrophobicContact CB-CD1 3.79Å; I28-K30 PolarHBondContact O-N 2.78Å; I28-L31 HydrophobicContact CD1-CD1 3.42Å; I28-L31 VanDerWaalsContact CD1-CD1 3.42Å; I28-L31 HydrophobicContact CD1-CG 4.33Å; I28-L31 HydrophobicContact CG1-CD1 4Å; I28-L31 VanDerWaalsContact O-CB 3.26Å; I28-L31 WeakPolarHBondContact O-CB 3.32Å; I28-L31 WeakPolarHBondContact O-CG 3.46Å; I28-L31 PolarHBondContact O-N 2.84Å |
| 29 | F | 87.6 | Confident | 90.3 | Very high | 131 Ų | 131 | 64.2 Ų | 64.2 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.9 | 175.6 | 63.4 | -92.4 | 0 | 0 | 0 | 112.9 | E27 L31 A32 | E27-F29 HydrophobicContact CB-CE1 4.3Å; E27-F29 PolarHBondContact O-N 2.81Å; F29-L31 PolarHBondContact O-N 2.79Å; F29-A32 PolarHBondContact O-N 3.3Å; F29-A32 VanDerWaalsContact O-N 3.1Å |
| 30 | K | 91.8 | Very high | 90.5 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.2 | -21.3 | 174.3 | -71.7 | -172.3 | -177.1 | 172 | 0 | 112.6 | Y22 E27 I28 A32 T33 F34 | Y22-K30 HydrophobicContact CD1-CB 4.32Å; Y22-K30 HydrophobicContact CD1-CD 3.83Å; Y22-K30 HydrophobicContact CD2-CB 3.62Å; Y22-K30 HydrophobicContact CE1-CD 3.86Å; Y22-K30 HydrophobicContact CE2-CB 3.9Å; Y22-K30 HydrophobicContact CG-CB 3.84Å; Y22-K30 HydrophobicContact CG-CD 4.19Å; E27-K30 HydrophobicContact CB-CD 3.9Å; E27-K30 HydrophobicContact CB-CG 4.16Å; E27-K30 WeakPolarHBondContact O-CB 3.37Å; E27-K30 WeakPolarHBondContact O-CG 3.44Å; E27-K30 PolarHBondContact O-N 3.07Å; E27-K30 VanDerWaalsContact OE1-CE 3.25Å; E27-K30 WeakPolarHBondContact OE1-CE 3.45Å; E27-K30 IonicContact OE1-NZ 3.48Å; E27-K30 PolarHBondContact OE1-NZ 2.89Å; E27-K30 IonicContact OE2-NZ 2.63Å; E27-K30 PolarHBondContact OE2-NZ 3.2Å; I28-K30 PolarHBondContact O-N 2.78Å; K30-A32 PolarHBondContact O-N 3.07Å; K30-T33 PolarHBondContact O-N 3.13Å; K30-T33 VanDerWaalsContact O-N 3.17Å; K30-F34 HydrophobicContact CB-CD2 3.74Å; K30-F34 HydrophobicContact CB-CE2 4.16Å; K30-F34 HydrophobicContact CD-CD2 4.31Å; K30-F34 HydrophobicContact CD-CE2 3.99Å; K30-F34 HydrophobicContact CG-CD2 4.09Å; K30-F34 HydrophobicContact CG-CE2 3.97Å; K30-F34 WeakPolarHBondContact O-CB 3.3Å; K30-F34 WeakPolarHBondContact O-CD2 3.29Å; K30-F34 PolarHBondContact O-N 3.2Å |
| 31 | L | 90 | Very high | 90.5 | Very high | 24 Ų | 24 | 65.6 Ų | 65.6 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61 | -24.7 | 174.1 | -72.5 | 176.9 | 0 | 0 | 0 | 113.8 | A7 L20 P21 Y22 I28 F29 G41 W43 | A7-L31 HydrophobicContact CB-CD1 4.2Å; L20-L31 HydrophobicContact CB-CD1 4.1Å; L20-L31 HydrophobicContact CB-CD2 4.03Å; L20-L31 HydrophobicContact CD1-CD1 3.84Å; P21-L31 HydrophobicContact CG-CD2 4.04Å; P21-L31 WeakPolarHBondContact O-CD2 3.31Å; Y22-L31 HydrophobicContact CD2-CD2 4.33Å; I28-L31 HydrophobicContact CD1-CD1 3.42Å; I28-L31 VanDerWaalsContact CD1-CD1 3.42Å; I28-L31 HydrophobicContact CD1-CG 4.33Å; I28-L31 HydrophobicContact CG1-CD1 4Å; I28-L31 VanDerWaalsContact O-CB 3.26Å; I28-L31 WeakPolarHBondContact O-CB 3.32Å; I28-L31 WeakPolarHBondContact O-CG 3.46Å; I28-L31 PolarHBondContact O-N 2.84Å; F29-L31 PolarHBondContact O-N 2.79Å; L31-G41 WeakPolarHBondContact O-CA 3.18Å; L31-W43 HydrophobicContact CD2-CD2 4.44Å; L31-W43 HydrophobicContact CD2-CH2 4.43Å; L31-W43 HydrophobicContact CD2-CZ2 3.61Å; L31-W43 PolarHBondContact O-NE1 2.87Å |
| 32 | A | 91 | Very high | 90.7 | Very high | 71 Ų | 71 | 70.7 Ų | 70.7 | 59% | 0.587 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -87.6 | -27 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F29 K30 G41 | F29-A32 PolarHBondContact O-N 3.3Å; F29-A32 VanDerWaalsContact O-N 3.1Å; K30-A32 PolarHBondContact O-N 3.07Å; A32-G41 PolarHBondContact O-N 2.01Å |
| 33 | T | 91.5 | Very high | 90.7 | Very high | 94 Ų | 94 | 70 Ų | 70 | 58% | 0.577 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -89.1 | -40 | -177.8 | -47 | 0 | 0 | 0 | 0 | 112.3 | K30 | K30-T33 PolarHBondContact O-N 3.13Å; K30-T33 VanDerWaalsContact O-N 3.17Å |
| 34 | F | 93 | Very high | 90.7 | Very high | 101 Ų | 101 | 74.7 Ų | 74.7 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | trans | -99.1 | 166.1 | 179 | -64.2 | -86.3 | 0 | 0 | 0 | 110.6 | Y22 K30 G41 W43 | Y22-F34 HydrophobicContact CE2-CB 4.24Å; Y22-F34 HydrophobicContact CE2-CD2 4.42Å; Y22-F34 HydrophobicContact CE2-CG 4.5Å; K30-F34 HydrophobicContact CB-CD2 3.74Å; K30-F34 HydrophobicContact CB-CE2 4.16Å; K30-F34 HydrophobicContact CD-CD2 4.31Å; K30-F34 HydrophobicContact CD-CE2 3.99Å; K30-F34 HydrophobicContact CG-CD2 4.09Å; K30-F34 HydrophobicContact CG-CE2 3.97Å; K30-F34 WeakPolarHBondContact O-CB 3.3Å; K30-F34 WeakPolarHBondContact O-CD2 3.29Å; K30-F34 PolarHBondContact O-N 3.2Å; F34-G41 PolarHBondContact O-N 2.91Å; F34-W43 HydrophobicContact CB-CH2 4.32Å; F34-W43 HydrophobicContact CB-CZ2 4.3Å; F34-W43 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 35 | S | 93.4 | Very high | 90.7 | Very high | 40 Ų | 40 | 76.6 Ų | 76.6 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | trans | -157.2 | 159.4 | -177.4 | 47.7 | 0 | 0 | 0 | 0 | 110 | V37 L39 R42 | S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 WeakPolarHBondContact CB-O 3.32Å; S35-V37 PolarHBondContact OG-O 3.42Å; S35-L39 WeakPolarHBondContact CB-O 3.16Å; S35-L39 PolarHBondContact OG-O 3.19Å; S35-R42 WeakPolarHBondContact CA-O 3Å; S35-R42 WeakPolarHBondContact CB-O 3.03Å | ||
| 36 | S | 90.2 | Very high | 90.7 | Very high | 61 Ų | 61 | 83.5 Ų | 83.5 | 43% | 0.427 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -92.4 | 2.8 | 168.1 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | R42 W43 I44 | S36-R42 PolarHBondContact N-O 3.14Å; S36-W43 WeakPolarHBondContact OG-CA 3.47Å; S36-I44 PolarHBondContact OG-N 3.42Å |
| 37 | V | 91.4 | Very high | 90.4 | Very high | 42 Ų | 42 | 86.5 Ų | 86.5 | 26% | 0.255 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -133.4 | 168.2 | 176.8 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | S35 L39 R42 I44 | S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 WeakPolarHBondContact CB-O 3.32Å; S35-V37 PolarHBondContact OG-O 3.42Å; V37-L39 HydrophobicContact CG2-CB 4.24Å; V37-L39 PolarHBondContact O-N 2.79Å; V37-R42 HydrophobicContact CG2-CB 3.54Å; V37-R42 HydrophobicContact CG2-CG 3.62Å; V37-R42 WeakPolarHBondContact CG2-O 3.35Å; V37-I44 HydrophobicContact CG1-CB 4.07Å; V37-I44 HydrophobicContact CG1-CG2 3.72Å |
| 38 | D | 91 | Very high | 90.1 | Very high | 173 Ų | 173 | 88.5 Ų | 88.5 | 93% | 0.925 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -69.4 | 17.7 | -177.4 | -60.9 | -35.1 | 0 | 0 | 0 | 115.1 | ||
| 39 | L | 93.7 | Very high | 89.5 | Confident | 89 Ų | 89 | 93.7 Ų | 93.7 | 47% | 0.466 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -125.7 | 113.8 | 179.1 | -77.3 | 145.7 | 0 | 0 | 0 | 109.2 | S35 V37 G41 R42 | S35-L39 WeakPolarHBondContact CB-O 3.16Å; S35-L39 PolarHBondContact OG-O 3.19Å; V37-L39 HydrophobicContact CG2-CB 4.24Å; V37-L39 PolarHBondContact O-N 2.79Å; L39-G41 PolarHBondContact O-N 2.76Å; L39-R42 HydrophobicContact CB-CB 4.17Å; L39-R42 WeakPolarHBondContact O-CB 3.49Å; L39-R42 PolarHBondContact O-N 2.94Å; L39-R42 VanDerWaalsContact O-N 3.16Å |
| 40 | P | 93.1 | Very high | 88.8 | Confident | 100 Ų | 100 | 96 Ų | 96 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 137.7 | 179.5 | -27.6 | 34.7 | 0 | 0 | 0 | 112.6 | R42 | P40-R42 PolarHBondContact O-N 3.38Š|
| 41 | G | 91.4 | Very high | 87.9 | Confident | 37 Ų | 37 | 100.2 Ų | 100.2 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -7.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L31 A32 F34 L39 | L31-G41 WeakPolarHBondContact O-CA 3.18Å; A32-G41 PolarHBondContact O-N 2.01Å; F34-G41 PolarHBondContact O-N 2.91Å; L39-G41 PolarHBondContact O-N 2.76Å |
| 42 | R | 93.5 | Very high | 87 | Confident | 149 Ų | 149 | 104.6 Ų | 104.6 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | trans | -95.9 | 135.2 | 178.3 | -172.3 | 175.2 | -67.6 | -175.5 | 1.2 | 110.6 | S35 S36 V37 L39 P40 | S35-R42 WeakPolarHBondContact CA-O 3Å; S35-R42 WeakPolarHBondContact CB-O 3.03Å; S36-R42 PolarHBondContact N-O 3.14Å; V37-R42 HydrophobicContact CG2-CB 3.54Å; V37-R42 HydrophobicContact CG2-CG 3.62Å; V37-R42 WeakPolarHBondContact CG2-O 3.35Å; L39-R42 HydrophobicContact CB-CB 4.17Å; L39-R42 WeakPolarHBondContact O-CB 3.49Å; L39-R42 PolarHBondContact O-N 2.94Å; L39-R42 VanDerWaalsContact O-N 3.16Å; P40-R42 PolarHBondContact O-N 3.38Å | ||
| 43 | W | 91.1 | Very high | 85.8 | Confident | 61 Ų | 61 | 104 Ų | 104 | 23% | 0.231 | 54% | 0.537 | C | S | . | . | trans | -128.4 | 129.2 | -179.4 | -61.6 | 87.4 | 0 | 0 | 0 | 109.6 | P21 Y22 L31 F34 S36 Y45 | P21-W43 HydrophobicContact CB-CH2 4.3Å; P21-W43 HydrophobicContact CB-CZ3 4.39Å; P21-W43 HydrophobicContact CG-CD2 4.33Å; P21-W43 HydrophobicContact CG-CE3 3.73Å; P21-W43 HydrophobicContact CG-CH2 3.3Å; P21-W43 HydrophobicContact CG-CZ2 3.93Å; P21-W43 HydrophobicContact CG-CZ3 3.19Å; Y22-W43 HydrophobicContact CE2-CH2 4.23Å; L31-W43 HydrophobicContact CD2-CD2 4.44Å; L31-W43 HydrophobicContact CD2-CH2 4.43Å; L31-W43 HydrophobicContact CD2-CZ2 3.61Å; L31-W43 PolarHBondContact O-NE1 2.87Å; F34-W43 HydrophobicContact CB-CH2 4.32Å; F34-W43 HydrophobicContact CB-CZ2 4.3Å; F34-W43 WeakPolarHBondContact O-CZ2 3.43Å; S36-W43 WeakPolarHBondContact OG-CA 3.47Å; W43-Y45 HydrophobicContact CB-CD2 4.39Å; W43-Y45 HydrophobicContact CB-CE2 3.8Å | ||
| 44 | I | 90.5 | Very high | 84.6 | Confident | 119 Ų | 119 | 102.9 Ų | 102.9 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | trans | -105.4 | 137.2 | 172.1 | -164.1 | 167.2 | 0 | 0 | 0 | 109.9 | S36 V37 | S36-I44 PolarHBondContact OG-N 3.42Å; V37-I44 HydrophobicContact CG1-CB 4.07Å; V37-I44 HydrophobicContact CG1-CG2 3.72Å | ||
| 45 | Y | 87.3 | Confident | 83.4 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 34% | 0.341 | 54% | 0.544 | S | S | . | . | trans | -129.2 | 140.3 | 175.8 | -75.2 | -88.8 | 0 | 0 | 0 | 109.3 | F9 T18 L20 P21 W43 | F9-Y45 HydrophobicContact CE2-CD2 4.29Å; F9-Y45 HydrophobicContact CE2-CE2 4.15Å; T18-Y45 HydrophobicContact CG2-CD1 4.36Å; T18-Y45 HydrophobicContact CG2-CE1 4.18Å; L20-Y45 HydrophobicContact CD2-CE2 3.44Å; L20-Y45 VanDerWaalsContact CD2-CE2 3.44Å; L20-Y45 WeakPolarHBondContact CD2-OH 3.46Å; P21-Y45 WeakPolarHBondContact CD-OH 3.39Å; W43-Y45 HydrophobicContact CB-CD2 4.39Å; W43-Y45 HydrophobicContact CB-CE2 3.8Å | ||
| 46 | R | 86 | Confident | 82.7 | Confident | 209 Ų | 209 | 105.2 Ų | 105.2 | 79% | 0.789 | 56% | 0.562 | S | S | * | * | trans | -79.5 | 131.4 | 170.1 | -179.4 | 176.2 | 173.4 | -171.5 | -8.7 | 108.4 | D48 | R46-D48 IonicContact CZ-OD1 2.83Å; R46-D48 IonicContact CZ-OD2 2.82Å; R46-D48 IonicContact NE-OD1 2.83Å; R46-D48 PolarHBondContact NE-OD1 3.35Å; R46-D48 IonicContact NE-OD2 2.69Å; R46-D48 IonicContact NH2-OD1 2.75Å; R46-D48 PolarHBondContact NH2-OD1 3.21Å; R46-D48 IonicContact NH2-OD2 3.88Å | ||
| 47 | V | 82.8 | Confident | 82.5 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | trans | -116.5 | 118.4 | 169.8 | -176.5 | 0 | 0 | 0 | 0 | 105.5 | E49 I51 | V47-E49 VanDerWaalsContact C-N 3.34Å; V47-E49 HydrophobicContact CG1-CB 4.36Å; V47-E49 WeakPolarHBondContact CG1-OE2 3.25Å; V47-I51 HydrophobicContact CG1-CG1 4.15Å | ||
| 48 | D | 82.7 | Confident | 82.3 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | trans | -87.2 | -12.9 | 180 | -77 | -42.6 | 0 | 0 | 0 | 111.8 | R46 | R46-D48 IonicContact CZ-OD1 2.83Å; R46-D48 IonicContact CZ-OD2 2.82Å; R46-D48 IonicContact NE-OD1 2.83Å; R46-D48 PolarHBondContact NE-OD1 3.35Å; R46-D48 IonicContact NE-OD2 2.69Å; R46-D48 IonicContact NH2-OD1 2.75Å; R46-D48 PolarHBondContact NH2-OD1 3.21Å; R46-D48 IonicContact NH2-OD2 3.88Å | ||
| 49 | E | 76.1 | Confident | 82.3 | Confident | 141 Ų | 141 | 94.9 Ų | 94.9 | 66% | 0.659 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -92.7 | 160.1 | 178.3 | -52.6 | 85.2 | 175 | 0 | 0 | 113 | V47 I51 | V47-E49 VanDerWaalsContact C-N 3.34Å; V47-E49 HydrophobicContact CG1-CB 4.36Å; V47-E49 WeakPolarHBondContact CG1-OE2 3.25Å; E49-I51 PolarHBondContact O-N 3.4Å |
| 50 | Q | 74.3 | Confident | 82 | Confident | 179 Ų | 179 | 93 Ų | 93 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | trans | -67.4 | 121.4 | 172.9 | -175.1 | 175.8 | 11.4 | 0 | 0 | 110.5 | I52 | Q50-I52 PolarHBondContact O-N 2.87Š| ||
| 51 | I | 72.9 | Confident | 81.8 | Confident | 136 Ų | 136 | 91.3 Ų | 91.3 | 70% | 0.697 | 49% | 0.487 | S | S | * | . | trans | -76.2 | 114.2 | 171.8 | -57.1 | 175.1 | 0 | 0 | 0 | 108.5 | V47 E49 | V47-I51 HydrophobicContact CG1-CG1 4.15Å; E49-I51 PolarHBondContact O-N 3.4Å | ||
| 52 | I | 70 | Confident | 81.5 | Confident | 116 Ų | 116 | 94.1 Ų | 94.1 | 60% | 0.595 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 117.7 | 175.5 | -54.1 | 175.3 | 0 | 0 | 0 | 108.1 | Q50 G54 T58 | Q50-I52 PolarHBondContact O-N 2.87Å; I52-G54 PolarHBondContact O-N 2.81Å; I52-T58 HydrophobicContact CG2-CG2 3.3Å |
| 53 | A | 66.9 | Low | 81.2 | Confident | 58 Ų | 58 | 92.8 Ų | 92.8 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 134.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F56 | A53-F56 HydrophobicContact CB-CD2 4.33Š|
| 54 | G | 64.7 | Low | 81 | Confident | 70 Ų | 70 | 90.5 Ų | 90.5 | 72% | 0.722 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 159 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I52 | I52-G54 PolarHBondContact O-N 2.81Š|
| 55 | G | 69.3 | Low | 80.8 | Confident | 43 Ų | 43 | 86.6 Ų | 86.6 | 44% | 0.443 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -27.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 56 | F | 77.9 | Confident | 80.8 | Confident | 147 Ų | 147 | 84 Ų | 84 | 65% | 0.645 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -85.4 | 147 | 170.5 | -61.8 | -79.5 | 0 | 0 | 0 | 111.2 | A53 T58 G76 | A53-F56 HydrophobicContact CB-CD2 4.33Å; F56-T58 WeakPolarHBondContact O-CG2 3.47Å; F56-T58 PolarHBondContact O-N 2.84Å; F56-G76 WeakPolarHBondContact O-CA 3.38Å |
| 57 | L | 86.5 | Confident | 80.9 | Confident | 13 Ų | 13 | 78 Ų | 78 | 7% | 0.068 | 45% | 0.445 | C | S | . | . | trans | -66.9 | 119.6 | 175.7 | -177.9 | 62.5 | 0 | 0 | 0 | 109.7 | V74 V119 I121 | L57-V74 HydrophobicContact CD1-CG1 3.36Å; L57-V74 HydrophobicContact CG-CG1 4.47Å; L57-V119 HydrophobicContact CD2-CG1 4.29Å; L57-I121 HydrophobicContact CD1-CB 4.01Å; L57-I121 HydrophobicContact CD1-CD1 4.22Å; L57-I121 HydrophobicContact CD1-CG2 3.7Å; L57-I121 HydrophobicContact CD2-CB 4.14Å; L57-I121 HydrophobicContact CD2-CG2 3.96Å; L57-I121 HydrophobicContact CG-CG2 4.37Å | ||
| 58 | T | 87.5 | Confident | 81.2 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 17% | 0.172 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.2 | -176.4 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | I52 F56 V74 S75 | I52-T58 HydrophobicContact CG2-CG2 3.3Å; F56-T58 WeakPolarHBondContact O-CG2 3.47Å; F56-T58 PolarHBondContact O-N 2.84Å; T58-V74 WeakPolarHBondContact O-CA 3.26Å; T58-S75 PolarHBondContact N-O 2.78Å; T58-S75 PolarHBondContact O-N 3.25Å; T58-S75 PolarHBondContact O-OG 2.83Å; T58-S75 PolarHBondContact OG1-O 2.84Å; T58-S75 PolarHBondContact OG1-OG 2.88Å |
| 59 | I | 89.4 | Confident | 81.4 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.097 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.4 | -176.5 | -53.8 | 177.5 | 0 | 0 | 0 | 108 | P61 D62 V72 N73 V74 F89 V119 F135 | I59-P61 CarbonylContact C-O 3.59Å; I59-P61 CarbonylContact O-C 3.38Å; I59-D62 PolarHBondContact O-N 3.04Å; I59-V72 HydrophobicContact CG2-CB 4Å; I59-V72 HydrophobicContact CG2-CG2 4.38Å; I59-N73 CarbonylContact C-O 3.55Å; I59-N73 VanDerWaalsContact CA-O 3.3Å; I59-N73 WeakPolarHBondContact CA-O 3.29Å; I59-V74 HydrophobicContact CG1-CG1 4.35Å; I59-V74 HydrophobicContact CG1-CG2 4.22Å; I59-V74 HydrophobicContact CG2-CG2 4.33Å; I59-F89 HydrophobicContact CD1-CE1 4.03Å; I59-F89 HydrophobicContact CD1-CZ 4.36Å; I59-V119 HydrophobicContact CD1-CB 3.66Å; I59-V119 HydrophobicContact CD1-CG1 3.42Å; I59-V119 VanDerWaalsContact CD1-CG1 3.42Å; I59-V119 HydrophobicContact CD1-CG2 3.71Å; I59-F135 HydrophobicContact CB-CD2 4.25Å; I59-F135 HydrophobicContact CD1-CB 4.42Å; I59-F135 HydrophobicContact CG2-CD2 3.73Å; I59-F135 HydrophobicContact CG2-CE2 3.96Å |
| 60 | A | 87.7 | Confident | 82 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N73 | A60-N73 PolarHBondContact N-O 2.8Å; A60-N73 PolarHBondContact O-N 2.76Å |
| 61 | P | 88.6 | Confident | 82.9 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 41% | 0.409 | 39% | 0.394 | S | S | . | . | S | Bend | cis | -60.9 | 162.8 | -8.1 | 29.1 | -37 | 0 | 0 | 0 | 112.2 | I59 K63 F135 | I59-P61 CarbonylContact C-O 3.59Å; I59-P61 CarbonylContact O-C 3.38Å; P61-K63 WeakPolarHBondContact CG-O 3.47Å; P61-K63 PolarHBondContact O-N 2.91Å; P61-F135 VanDerWaalsContact O-CE2 3.23Å; P61-F135 WeakPolarHBondContact O-CE2 3.35Å |
| 62 | D | 86.3 | Confident | 83.8 | Confident | 97 Ų | 97 | 56.7 Ų | 56.7 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -79.7 | -7.3 | 176.1 | 65.2 | -42.9 | 0 | 0 | 0 | 112.7 | I59 F135 Y136 | I59-D62 PolarHBondContact O-N 3.04Å; D62-F135 WeakPolarHBondContact O-CD2 3.01Å; D62-Y136 PolarHBondContact O-N 3.48Å; D62-Y136 VanDerWaalsContact O-N 3.08Å |
| 63 | K | 86.6 | Confident | 84.8 | Confident | 121 Ų | 121 | 54.4 Ų | 54.4 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.1 | -177.3 | -42.6 | -173.5 | -174.2 | 178.7 | 0 | 111 | P61 F135 Y136 | P61-K63 WeakPolarHBondContact CG-O 3.47Å; P61-K63 PolarHBondContact O-N 2.91Å; K63-F135 VanDerWaalsContact C-CZ 3.46Å; K63-Y136 CarbonylContact C-O 3.58Å; K63-Y136 VanDerWaalsContact CA-O 3.27Å; K63-Y136 WeakPolarHBondContact CA-O 3.46Å; K63-Y136 HydrophobicContact CB-CD1 4.34Å; K63-Y136 HydrophobicContact CD-CD1 4.36Å; K63-Y136 HydrophobicContact CG-CD1 4.45Å |
| 64 | G | 88.1 | Confident | 86 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 167.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | I70 F135 Y136 F137 G138 | G64-I70 VanDerWaalsContact CA-CD1 3.46Å; G64-F135 VanDerWaalsContact N-CZ 3.3Å; G64-Y136 PolarHBondContact N-O 3.2Å; G64-F137 CarbonylContact O-C 3.53Å; G64-F137 WeakPolarHBondContact O-CA 3.46Å; G64-G138 PolarHBondContact O-N 3.21Å |
| 65 | S | 86.2 | Confident | 87.1 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 139.9 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | L67 G68 | S65-L67 PolarHBondContact O-N 2.75Å; S65-L67 VanDerWaalsContact O-N 3.13Å; S65-L67 PolarHBondContact OG-N 2.88Å; S65-G68 PolarHBondContact O-N 3.08Å; S65-G68 VanDerWaalsContact O-N 3.07Å |
| 66 | M | 87.4 | Confident | 87.7 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 16% | 0.163 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.2 | 170.1 | 66.8 | 168 | -88.4 | 0 | 0 | 113.5 | G68 R110 F111 V114 G138 L139 | M66-G68 PolarHBondContact O-N 2.8Å; M66-R110 WeakPolarHBondContact O-CA 3.08Å; M66-F111 WeakPolarHBondContact CB-O 3.07Å; M66-F111 PolarHBondContact O-N 3.04Å; M66-F111 VanDerWaalsContact O-O 3.07Å; M66-V114 HydrophobicContact CB-CG2 4.39Å; M66-V114 HydrophobicContact SD-CG2 3.76Å; M66-G138 PolarHBondContact N-O 2.83Å; M66-G138 VanDerWaalsContact N-O 3.07Å; M66-L139 HydrophobicContact SD-CD2 3.71Å |
| 67 | L | 87.8 | Confident | 87.9 | Confident | 84 Ų | 84 | 42.5 Ų | 42.5 | 44% | 0.44 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.1 | 177.7 | -64.1 | 177.8 | 0 | 0 | 0 | 113.1 | S65 | S65-L67 PolarHBondContact O-N 2.75Å; S65-L67 VanDerWaalsContact O-N 3.13Å; S65-L67 PolarHBondContact OG-N 2.88Å |
| 68 | G | 88.5 | Confident | 87.9 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | trans | 67.3 | -154.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S65 M66 I70 L108 P109 | S65-G68 PolarHBondContact O-N 3.08Å; S65-G68 VanDerWaalsContact O-N 3.07Å; M66-G68 PolarHBondContact O-N 2.8Å; G68-I70 PolarHBondContact O-N 2.87Å; G68-L108 CarbonylContact C-O 3.52Å; G68-L108 WeakPolarHBondContact CA-O 3.41Å; G68-P109 WeakPolarHBondContact CA-O 3.49Å | ||
| 69 | G | 87.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | trans | 77.2 | 5.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L108 | G69-L108 PolarHBondContact N-O 2.66Š| ||
| 70 | I | 88.7 | Confident | 87.7 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | trans | -102.5 | 148.5 | 175.7 | 69.3 | 166.4 | 0 | 0 | 0 | 110.9 | G64 G68 V72 L108 | G64-I70 VanDerWaalsContact CA-CD1 3.46Å; G68-I70 PolarHBondContact O-N 2.87Å; I70-V72 HydrophobicContact CD1-CG1 4.1Å; I70-V72 HydrophobicContact CG1-CG1 4.28Å; I70-L108 HydrophobicContact CD1-CD1 4.05Å; I70-L108 HydrophobicContact CG1-CB 4.25Å; I70-L108 HydrophobicContact CG1-CD1 3.93Å; I70-L108 HydrophobicContact CG1-CG 4.35Å; I70-L108 PolarHBondContact O-N 2.83Å | ||
| 71 | T | 91.9 | Very high | 87.5 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.7 | 174.4 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | Q105 C106 | T71-Q105 HydrophobicContact CG2-CG 3.26Å; T71-Q105 VanDerWaalsContact CG2-NE2 3.33Å; T71-C106 CarbonylContact C-O 3.4Å; T71-C106 WeakPolarHBondContact CA-O 3.37Å |
| 72 | V | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.1 | 175.3 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | I59 I70 V74 F89 C106 L108 F135 | I59-V72 HydrophobicContact CG2-CB 4Å; I59-V72 HydrophobicContact CG2-CG2 4.38Å; I70-V72 HydrophobicContact CD1-CG1 4.1Å; I70-V72 HydrophobicContact CG1-CG1 4.28Å; V72-V74 HydrophobicContact CG2-CG2 4.49Å; V72-F89 HydrophobicContact CG2-CZ 4.3Å; V72-C106 HydrophobicContact CG2-CB 3.76Å; V72-C106 PolarHBondContact N-O 2.65Å; V72-C106 PolarHBondContact O-N 2.96Å; V72-L108 HydrophobicContact CG1-CD1 3.58Å; V72-L108 HydrophobicContact CG1-CG 3.85Å; V72-L108 HydrophobicContact CG2-CD1 4.36Å; V72-L108 HydrophobicContact CG2-CD2 3.92Å; V72-L108 HydrophobicContact CG2-CG 3.87Å; V72-F135 HydrophobicContact CG1-CE2 4.06Å; V72-F135 HydrophobicContact CG1-CZ 4.15Å |
| 73 | N | 90.7 | Very high | 87.1 | Confident | 67 Ų | 67 | 48.4 Ų | 48.4 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.4 | 173.5 | -68.7 | -23.4 | 0 | 0 | 0 | 108.7 | I59 A60 Q105 | I59-N73 CarbonylContact C-O 3.55Å; I59-N73 VanDerWaalsContact CA-O 3.3Å; I59-N73 WeakPolarHBondContact CA-O 3.29Å; A60-N73 PolarHBondContact N-O 2.8Å; A60-N73 PolarHBondContact O-N 2.76Å; N73-Q105 PolarHBondContact OD1-NE2 3.06Å |
| 74 | V | 91.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.9 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 108 | L57 T58 I59 V72 V87 R103 A104 I121 | L57-V74 HydrophobicContact CD1-CG1 3.36Å; L57-V74 HydrophobicContact CG-CG1 4.47Å; T58-V74 WeakPolarHBondContact O-CA 3.26Å; I59-V74 HydrophobicContact CG1-CG1 4.35Å; I59-V74 HydrophobicContact CG1-CG2 4.22Å; I59-V74 HydrophobicContact CG2-CG2 4.33Å; V72-V74 HydrophobicContact CG2-CG2 4.49Å; V74-V87 HydrophobicContact CG1-CG2 4.27Å; V74-V87 HydrophobicContact CG2-CG2 4.24Å; V74-R103 WeakPolarHBondContact O-CA 3.5Å; V74-A104 PolarHBondContact N-O 2.95Å; V74-A104 PolarHBondContact O-N 3.06Å; V74-I121 HydrophobicContact CG1-CD1 3.91Å |
| 75 | S | 88.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 170.8 | -175.9 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | T58 H102 | T58-S75 PolarHBondContact N-O 2.78Å; T58-S75 PolarHBondContact O-N 3.25Å; T58-S75 PolarHBondContact O-OG 2.83Å; T58-S75 PolarHBondContact OG1-O 2.84Å; T58-S75 PolarHBondContact OG1-OG 2.88Å; S75-H102 VanDerWaalsContact CA-O 3.32Å; S75-H102 WeakPolarHBondContact CA-O 3.39Å; S75-H102 WeakPolarHBondContact CB-O 3.42Å |
| 76 | G | 81.6 | Confident | 88 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 128.2 | -76.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F56 | F56-G76 WeakPolarHBondContact O-CA 3.38Š|
| 77 | P | 82.6 | Confident | 88.3 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -73.4 | 148.6 | -178.7 | 30.2 | -34.3 | 0 | 0 | 0 | 111.8 | L79 I121 Y131 | P77-L79 HydrophobicContact CG-CD2 4.34Å; P77-L79 PolarHBondContact O-N 3.34Å; P77-I121 HydrophobicContact CG-CD1 4.27Å; P77-I121 HydrophobicContact CG-CG2 4.11Å; P77-Y131 HydrophobicContact CB-CD1 4.17Å; P77-Y131 HydrophobicContact CB-CD2 3.56Å; P77-Y131 HydrophobicContact CB-CE1 3.98Å; P77-Y131 HydrophobicContact CB-CE2 3.35Å; P77-Y131 HydrophobicContact CB-CG 3.98Å; P77-Y131 HydrophobicContact CG-CD2 3.87Å; P77-Y131 HydrophobicContact CG-CE2 4.14Å; P77-Y131 HydrophobicContact CG-CG 4.25Å |
| 78 | C | 86.4 | Confident | 88.7 | Confident | 88 Ų | 88 | 41.8 Ų | 41.8 | 60% | 0.595 | 28% | 0.282 | S | S | * | . | trans | -73.2 | 111.3 | 169.8 | -162.9 | 0 | 0 | 0 | 0 | 108.7 | V101 | C78-V101 CarbonylContact C-O 3.6Å; C78-V101 WeakPolarHBondContact CA-O 3.19Å | ||
| 79 | L | 86.6 | Confident | 88.9 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 125.5 | 179.4 | -61.2 | 173 | 0 | 0 | 0 | 108.9 | P77 V85 Q98 V101 A104 I121 H123 | P77-L79 HydrophobicContact CG-CD2 4.34Å; P77-L79 PolarHBondContact O-N 3.34Å; L79-V85 HydrophobicContact CD1-CG2 4Å; L79-V85 HydrophobicContact CD2-CG2 4.42Å; L79-Q98 VanDerWaalsContact CB-NE2 3.31Å; L79-Q98 HydrophobicContact CD1-CG 4.44Å; L79-Q98 PolarHBondContact O-NE2 2.74Å; L79-V101 PolarHBondContact N-O 3.31Å; L79-V101 WeakPolarHBondContact O-CA 3.27Å; L79-A104 HydrophobicContact CD1-CB 4.05Å; L79-I121 HydrophobicContact CD2-CD1 4.06Å; L79-H123 HydrophobicContact CD2-CB 3.95Å |
| 80 | P | 86.6 | Confident | 89.1 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 142.8 | 171.2 | -23.6 | 33.4 | 0 | 0 | 0 | 110.7 | S82 S83 Q98 | P80-S82 PolarHBondContact O-N 2.96Å; P80-S83 WeakPolarHBondContact O-CB 3.23Å; P80-S83 PolarHBondContact O-N 3.16Å; P80-S83 PolarHBondContact O-OG 3.4Å; P80-Q98 PolarHBondContact O-NE2 3.21Å; P80-Q98 PolarHBondContact O-OE1 3.17Å |
| 81 | S | 83.3 | Confident | 89.2 | Confident | 92 Ų | 92 | 45 Ų | 45 | 64% | 0.643 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 134.3 | 174.4 | -59 | 0 | 0 | 0 | 0 | 109.9 | ||
| 82 | S | 82 | Confident | 89.2 | Confident | 122 Ų | 122 | 43.4 Ų | 43.4 | 85% | 0.853 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 27.7 | 179.3 | 68.8 | 0 | 0 | 0 | 0 | 116.3 | P80 | P80-S82 PolarHBondContact O-N 2.96Š|
| 83 | S | 84.3 | Confident | 89.3 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | trans | -77.6 | 144.4 | 173.9 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | P80 V85 Q98 H123 | P80-S83 WeakPolarHBondContact O-CB 3.23Å; P80-S83 PolarHBondContact O-N 3.16Å; P80-S83 PolarHBondContact O-OG 3.4Å; S83-V85 PolarHBondContact O-N 3.26Å; S83-Q98 PolarHBondContact OG-OE1 2.79Å; S83-H123 WeakPolarHBondContact CB-O 3.32Å | ||
| 84 | T | 91.6 | Very high | 89.4 | Confident | 78 Ų | 78 | 45 Ų | 45 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -83.3 | 90.7 | 170.5 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | H86 G125 | T84-H86 PolarHBondContact O-N 3.42Å; T84-H86 PolarHBondContact O-ND1 3.48Å; T84-G125 PolarHBondContact O-N 3.04Å; T84-G125 VanDerWaalsContact OG1-CA 3.26Å; T84-G125 WeakPolarHBondContact OG1-CA 3.4Å; T84-G125 PolarHBondContact OG1-N 3.2Å; T84-G125 VanDerWaalsContact OG1-N 3.15Å |
| 85 | V | 93.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | trans | -77.3 | 120.5 | -175 | -174 | 0 | 0 | 0 | 0 | 110.8 | L79 S83 V87 C96 Q98 A104 I121 S122 | L79-V85 HydrophobicContact CD1-CG2 4Å; L79-V85 HydrophobicContact CD2-CG2 4.42Å; S83-V85 PolarHBondContact O-N 3.26Å; V85-V87 HydrophobicContact CG1-CG2 4.37Å; V85-C96 HydrophobicContact CB-CB 4.26Å; V85-C96 HydrophobicContact CG1-CB 4.1Å; V85-C96 PolarHBondContact O-N 2.84Å; V85-Q98 HydrophobicContact CG2-CB 4.16Å; V85-A104 HydrophobicContact CB-CB 4.37Å; V85-A104 HydrophobicContact CG1-CB 3.87Å; V85-A104 HydrophobicContact CG2-CB 4.41Å; V85-I121 HydrophobicContact CG1-CD1 3.82Å; V85-I121 HydrophobicContact CG1-CG1 3.96Å; V85-S122 CarbonylContact C-O 3.54Å; V85-S122 VanDerWaalsContact CA-O 3.31Å; V85-S122 WeakPolarHBondContact CA-O 3.44Å | ||
| 86 | H | 94.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.5 | 171.2 | -68.4 | 73.4 | 0 | 0 | 0 | 109.5 | T84 L93 V94 S122 | T84-H86 PolarHBondContact O-N 3.42Å; T84-H86 PolarHBondContact O-ND1 3.48Å; H86-L93 HydrophobicContact CB-CD1 3.89Å; H86-L93 HydrophobicContact CB-CG 4.45Å; H86-V94 WeakPolarHBondContact CA-O 3.13Å; H86-S122 PolarHBondContact N-O 3.22Å; H86-S122 PolarHBondContact O-N 3.32Å |
| 87 | V | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.8 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | V74 V85 F89 V94 C96 V119 K120 I121 | V74-V87 HydrophobicContact CG1-CG2 4.27Å; V74-V87 HydrophobicContact CG2-CG2 4.24Å; V85-V87 HydrophobicContact CG1-CG2 4.37Å; V87-F89 HydrophobicContact CB-CE2 3.93Å; V87-F89 HydrophobicContact CG1-CD2 3.97Å; V87-F89 HydrophobicContact CG1-CE1 4.48Å; V87-F89 HydrophobicContact CG1-CE2 3.36Å; V87-F89 HydrophobicContact CG1-CZ 3.64Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.47Å; V87-C96 WeakPolarHBondContact CG2-SG 3.35Å; V87-V119 HydrophobicContact CG1-CG1 3.25Å; V87-K120 CarbonylContact C-O 3.57Å; V87-K120 WeakPolarHBondContact CA-O 3.11Å; V87-I121 HydrophobicContact CG2-CB 4.36Å; V87-I121 HydrophobicContact CG2-CD1 4.3Å; V87-I121 HydrophobicContact CG2-CG1 4.04Å |
| 88 | L | 94.7 | Very high | 90.9 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 111.3 | -179.8 | -179.5 | 68.2 | 0 | 0 | 0 | 108.8 | D90 L92 L93 V119 K120 F129 | L88-D90 WeakPolarHBondContact CD1-O 3.45Å; L88-D90 VanDerWaalsContact CG-O 3.3Å; L88-D90 WeakPolarHBondContact CG-O 3.21Å; L88-L92 CarbonylContact C-O 3.57Å; L88-L92 WeakPolarHBondContact CA-O 3.44Å; L88-L93 HydrophobicContact CB-CD1 4.11Å; L88-L93 HydrophobicContact CD1-CB 4.2Å; L88-L93 HydrophobicContact CD1-CD1 4.15Å; L88-V119 CarbonylContact O-C 3.55Å; L88-V119 VanDerWaalsContact O-CA 3.29Å; L88-V119 WeakPolarHBondContact O-CA 3.43Å; L88-K120 HydrophobicContact CB-CB 4.47Å; L88-K120 PolarHBondContact N-O 3.29Å; L88-K120 PolarHBondContact O-N 3Å; L88-F129 HydrophobicContact CB-CD1 4.16Å; L88-F129 HydrophobicContact CB-CE1 3.57Å; L88-F129 HydrophobicContact CB-CZ 4.01Å; L88-F129 HydrophobicContact CD2-CE1 4.41Å; L88-F129 HydrophobicContact CD2-CE2 4.49Å; L88-F129 HydrophobicContact CD2-CZ 4.31Å |
| 89 | F | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 92.8 | 172.3 | -65 | -96.2 | 0 | 0 | 0 | 108.5 | I59 V72 V87 E91 L92 V94 L108 V117 V119 F135 F137 | I59-F89 HydrophobicContact CD1-CE1 4.03Å; I59-F89 HydrophobicContact CD1-CZ 4.36Å; V72-F89 HydrophobicContact CG2-CZ 4.3Å; V87-F89 HydrophobicContact CB-CE2 3.93Å; V87-F89 HydrophobicContact CG1-CD2 3.97Å; V87-F89 HydrophobicContact CG1-CE1 4.48Å; V87-F89 HydrophobicContact CG1-CE2 3.36Å; V87-F89 HydrophobicContact CG1-CZ 3.64Å; F89-E91 PolarHBondContact O-N 2.83Å; F89-L92 HydrophobicContact CB-CB 4.28Å; F89-L92 PolarHBondContact N-O 2.98Å; F89-L92 WeakPolarHBondContact O-CB 3.24Å; F89-L92 PolarHBondContact O-N 2.83Å; F89-V94 HydrophobicContact CD2-CB 4.47Å; F89-V94 HydrophobicContact CD2-CG2 3.86Å; F89-V94 HydrophobicContact CE2-CB 4.32Å; F89-V94 HydrophobicContact CE2-CG2 4.06Å; F89-L108 HydrophobicContact CD1-CD2 4.41Å; F89-L108 HydrophobicContact CD2-CD2 4.04Å; F89-L108 HydrophobicContact CE1-CD2 3.92Å; F89-L108 HydrophobicContact CE2-CD2 3.49Å; F89-L108 VanDerWaalsContact CE2-CD2 3.49Å; F89-L108 HydrophobicContact CG-CD2 4.49Å; F89-L108 HydrophobicContact CZ-CD2 3.44Å; F89-L108 VanDerWaalsContact CZ-CD2 3.44Å; F89-V117 HydrophobicContact CD1-CG2 4.38Å; F89-V119 HydrophobicContact CD1-CB 4.35Å; F89-V119 HydrophobicContact CD1-CG1 3.99Å; F89-V119 HydrophobicContact CD1-CG2 3.41Å; F89-V119 VanDerWaalsContact CD1-CG2 3.41Å; F89-V119 HydrophobicContact CE1-CB 4.46Å; F89-V119 HydrophobicContact CE1-CG1 3.89Å; F89-V119 HydrophobicContact CE1-CG2 3.69Å; F89-V119 HydrophobicContact CG-CG1 4.34Å; F89-V119 HydrophobicContact CG-CG2 4.26Å; F89-V119 HydrophobicContact CZ-CG1 4.15Å; F89-F135 HydrophobicContact CD1-CB 4.24Å; F89-F135 HydrophobicContact CD1-CD1 4.22Å; F89-F135 HydrophobicContact CD1-CG 4.31Å; F89-F135 HydrophobicContact CE1-CB 4.16Å; F89-F135 HydrophobicContact CE1-CD1 4.19Å; F89-F135 HydrophobicContact CE1-CD2 4.4Å; F89-F135 HydrophobicContact CE1-CG 4.01Å; F89-F137 HydrophobicContact CB-CE2 4.17Å; F89-F137 HydrophobicContact CB-CZ 4.43Å; F89-F137 HydrophobicContact CD1-CE2 4.13Å; F89-F137 HydrophobicContact CD1-CZ 4.19Å; F89-F137 HydrophobicContact CG-CE2 4.44Å; F89-F137 HydrophobicContact CG-CZ 4.42Å |
| 90 | D | 91.7 | Very high | 91 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.353 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -95.9 | -172.1 | -162.7 | 28.9 | 0 | 0 | 0 | 111.8 | L88 F111 R113 V117 T118 | L88-D90 WeakPolarHBondContact CD1-O 3.45Å; L88-D90 VanDerWaalsContact CG-O 3.3Å; L88-D90 WeakPolarHBondContact CG-O 3.21Å; D90-F111 HydrophobicContact CB-CZ 4.35Å; D90-R113 IonicContact OD2-NH1 3.64Å; D90-R113 PolarHBondContact OD2-NH1 3.14Å; D90-V117 HydrophobicContact CB-CB 4.14Å; D90-V117 HydrophobicContact CB-CG1 4.19Å; D90-T118 PolarHBondContact N-O 2.69Å |
| 91 | E | 90.5 | Very high | 91 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -10.6 | 177.8 | -61.5 | 170 | -157.7 | 0 | 0 | 112.8 | F89 R113 | F89-E91 PolarHBondContact O-N 2.83Å; E91-R113 IonicContact OE1-CZ 2.66Å; E91-R113 VanDerWaalsContact OE1-CZ 3.24Å; E91-R113 IonicContact OE1-NH1 3.03Å; E91-R113 PolarHBondContact OE1-NH1 2.79Å; E91-R113 IonicContact OE1-NH2 3.7Å; E91-R113 PolarHBondContact OE1-NH2 3.49Å; E91-R113 IonicContact OE2-NH2 3.51Å |
| 92 | L | 91.8 | Very high | 91 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 108.2 | -174.1 | 175.6 | 71.1 | 0 | 0 | 0 | 111.5 | L88 F89 V94 P109 F111 | L88-L92 CarbonylContact C-O 3.57Å; L88-L92 WeakPolarHBondContact CA-O 3.44Å; F89-L92 HydrophobicContact CB-CB 4.28Å; F89-L92 PolarHBondContact N-O 2.98Å; F89-L92 WeakPolarHBondContact O-CB 3.24Å; F89-L92 PolarHBondContact O-N 2.83Å; L92-V94 HydrophobicContact CD2-CG2 4.04Å; L92-V94 HydrophobicContact CG-CG2 3.9Å; L92-P109 HydrophobicContact CD1-CG 3.74Å; L92-P109 HydrophobicContact CD2-CG 3.77Å; L92-P109 HydrophobicContact CG-CG 4.15Å; L92-F111 HydrophobicContact CB-CD2 3.7Å; L92-F111 HydrophobicContact CB-CE2 3.72Å; L92-F111 HydrophobicContact CD2-CB 4.03Å; L92-F111 HydrophobicContact CD2-CD2 3.81Å; L92-F111 HydrophobicContact CD2-CG 4.11Å; L92-F111 HydrophobicContact CG-CD2 4.25Å |
| 93 | L | 93.9 | Very high | 91.3 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.1 | 174.1 | -167.8 | 70 | 0 | 0 | 0 | 111.1 | H86 L88 F129 | H86-L93 HydrophobicContact CB-CD1 3.89Å; H86-L93 HydrophobicContact CB-CG 4.45Å; L88-L93 HydrophobicContact CB-CD1 4.11Å; L88-L93 HydrophobicContact CD1-CB 4.2Å; L88-L93 HydrophobicContact CD1-CD1 4.15Å; L93-F129 HydrophobicContact CD1-CE1 4.28Å; L93-F129 HydrophobicContact CD1-CZ 3.83Å |
| 94 | V | 94.7 | Very high | 91.6 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.8 | -179.4 | -176 | 0 | 0 | 0 | 0 | 109.8 | H86 V87 F89 L92 C106 I107 P109 | H86-V94 WeakPolarHBondContact CA-O 3.13Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.47Å; F89-V94 HydrophobicContact CD2-CB 4.47Å; F89-V94 HydrophobicContact CD2-CG2 3.86Å; F89-V94 HydrophobicContact CE2-CB 4.32Å; F89-V94 HydrophobicContact CE2-CG2 4.06Å; L92-V94 HydrophobicContact CD2-CG2 4.04Å; L92-V94 HydrophobicContact CG-CG2 3.9Å; V94-C106 HydrophobicContact CG1-CB 4.05Å; V94-I107 WeakPolarHBondContact CG1-O 3.45Å; V94-P109 HydrophobicContact CG2-CG 4.09Å |
| 95 | L | 94.1 | Very high | 91.7 | Very high | 122 Ų | 122 | 57 Ų | 57 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.5 | 170.6 | 179.2 | 66.2 | 0 | 0 | 0 | 109.7 | ||
| 96 | C | 94.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.1 | -176.6 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | V85 V87 A104 Q105 C106 | V85-C96 HydrophobicContact CB-CB 4.26Å; V85-C96 HydrophobicContact CG1-CB 4.1Å; V85-C96 PolarHBondContact O-N 2.84Å; V87-C96 WeakPolarHBondContact CG2-SG 3.35Å; C96-A104 HydrophobicContact CB-CB 4.29Å; C96-Q105 CarbonylContact C-O 3.59Å; C96-Q105 WeakPolarHBondContact CA-O 3.49Å; C96-C106 HydrophobicContact CB-CB 3.97Å; C96-C106 WeakPolarHBondContact CB-SG 3.28Å; C96-C106 WeakPolarHBondContact SG-CB 3.3Å; C96-C106 CovalentContact SG-SG 2.01Å; C96-C106 PolarHBondContact SG-SG 2.92Å |
| 97 | K | 93.1 | Very high | 91.7 | Very high | 149 Ų | 149 | 60.9 Ų | 60.9 | 65% | 0.648 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121 | 174.3 | -174.6 | 176.1 | -179.4 | 178.4 | 0 | 110 | L99 A104 Q105 | K97-L99 HydrophobicContact CD-CD2 4.44Å; K97-L99 PolarHBondContact O-N 2.82Å; K97-A104 CarbonylContact O-C 3.37Å; K97-A104 WeakPolarHBondContact O-CA 3.14Å; K97-Q105 PolarHBondContact N-O 3Å; K97-Q105 PolarHBondContact O-N 3Å |
| 98 | Q | 91.8 | Very high | 91.6 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.8 | 169.7 | -170.4 | -179.3 | 23.8 | 0 | 0 | 109.7 | L79 P80 S83 V85 N100 | L79-Q98 VanDerWaalsContact CB-NE2 3.31Å; L79-Q98 HydrophobicContact CD1-CG 4.44Å; L79-Q98 PolarHBondContact O-NE2 2.74Å; P80-Q98 PolarHBondContact O-NE2 3.21Å; P80-Q98 PolarHBondContact O-OE1 3.17Å; S83-Q98 PolarHBondContact OG-OE1 2.79Å; V85-Q98 HydrophobicContact CG2-CB 4.16Å; Q98-N100 VanDerWaalsContact CG-O 3.24Å; Q98-N100 WeakPolarHBondContact CG-O 3.48Å; Q98-N100 PolarHBondContact NE2-O 2.81Å |
| 99 | L | 89.3 | Confident | 91.4 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -31.9 | 175.8 | -60.9 | 177.6 | 0 | 0 | 0 | 112 | K97 R103 Q105 | K97-L99 HydrophobicContact CD-CD2 4.44Å; K97-L99 PolarHBondContact O-N 2.82Å; L99-R103 HydrophobicContact CB-CG 3.62Å; L99-R103 HydrophobicContact CD1-CG 4.15Å; L99-R103 HydrophobicContact CG-CG 4.38Å; L99-R103 PolarHBondContact N-O 3.3Å; L99-Q105 HydrophobicContact CD1-CB 3.83Å; L99-Q105 HydrophobicContact CG-CB 4.07Å |
| 100 | N | 86.1 | Confident | 91.3 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | -173.6 | 170.7 | 68 | 18.5 | 0 | 0 | 0 | 110.1 | Q98 H102 R103 | Q98-N100 VanDerWaalsContact CG-O 3.24Å; Q98-N100 WeakPolarHBondContact CG-O 3.48Å; Q98-N100 PolarHBondContact NE2-O 2.81Å; N100-H102 PolarHBondContact O-N 3.11Å; N100-H102 VanDerWaalsContact O-N 3.16Å; N100-H102 WeakPolarHBondContact OD1-CA 3.28Å; N100-H102 PolarHBondContact OD1-N 3.12Å; N100-R103 PolarHBondContact N-O 3.29Å; N100-R103 VanDerWaalsContact ND2-CD 3.28Å; N100-R103 WeakPolarHBondContact ND2-CD 3.33Å; N100-R103 PolarHBondContact ND2-NE 3.46Å; N100-R103 VanDerWaalsContact ND2-NE 3.11Å; N100-R103 WeakPolarHBondContact OD1-CB 3.32Å; N100-R103 WeakPolarHBondContact OD1-CG 3.4Å; N100-R103 PolarHBondContact OD1-N 3.5Å |
| 101 | V | 87.3 | Confident | 91.2 | Very high | 53 Ų | 53 | 66.8 Ų | 66.8 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.9 | 178.2 | -66 | 0 | 0 | 0 | 0 | 114.6 | C78 L79 | C78-V101 CarbonylContact C-O 3.6Å; C78-V101 WeakPolarHBondContact CA-O 3.19Å; L79-V101 PolarHBondContact N-O 3.31Å; L79-V101 WeakPolarHBondContact O-CA 3.27Å |
| 102 | H | 83.9 | Confident | 91 | Very high | 109 Ų | 109 | 67.7 Ų | 67.7 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -9.6 | -176.4 | -57.2 | -48.1 | 0 | 0 | 0 | 113.9 | S75 N100 | S75-H102 VanDerWaalsContact CA-O 3.32Å; S75-H102 WeakPolarHBondContact CA-O 3.39Å; S75-H102 WeakPolarHBondContact CB-O 3.42Å; N100-H102 PolarHBondContact O-N 3.11Å; N100-H102 VanDerWaalsContact O-N 3.16Å; N100-H102 WeakPolarHBondContact OD1-CA 3.28Å; N100-H102 PolarHBondContact OD1-N 3.12Å |
| 103 | R | 87.3 | Confident | 90.7 | Very high | 120 Ų | 120 | 71.8 Ų | 71.8 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 128.9 | -169.4 | 90.8 | -162.5 | 162.7 | 169.5 | -4.3 | 111.1 | V74 L99 N100 | V74-R103 WeakPolarHBondContact O-CA 3.5Å; L99-R103 HydrophobicContact CB-CG 3.62Å; L99-R103 HydrophobicContact CD1-CG 4.15Å; L99-R103 HydrophobicContact CG-CG 4.38Å; L99-R103 PolarHBondContact N-O 3.3Å; N100-R103 PolarHBondContact N-O 3.29Å; N100-R103 VanDerWaalsContact ND2-CD 3.28Å; N100-R103 WeakPolarHBondContact ND2-CD 3.33Å; N100-R103 PolarHBondContact ND2-NE 3.46Å; N100-R103 VanDerWaalsContact ND2-NE 3.11Å; N100-R103 WeakPolarHBondContact OD1-CB 3.32Å; N100-R103 WeakPolarHBondContact OD1-CG 3.4Å; N100-R103 PolarHBondContact OD1-N 3.5Å |
| 104 | A | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 151.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V74 L79 V85 C96 K97 | V74-A104 PolarHBondContact N-O 2.95Å; V74-A104 PolarHBondContact O-N 3.06Å; L79-A104 HydrophobicContact CD1-CB 4.05Å; V85-A104 HydrophobicContact CB-CB 4.37Å; V85-A104 HydrophobicContact CG1-CB 3.87Å; V85-A104 HydrophobicContact CG2-CB 4.41Å; C96-A104 HydrophobicContact CB-CB 4.29Å; K97-A104 CarbonylContact O-C 3.37Å; K97-A104 WeakPolarHBondContact O-CA 3.14Å |
| 105 | Q | 93.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 71 Ų | 71 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.7 | 179.4 | -178 | 173.2 | 73.8 | 0 | 0 | 108.9 | T71 N73 C96 K97 L99 | T71-Q105 HydrophobicContact CG2-CG 3.26Å; T71-Q105 VanDerWaalsContact CG2-NE2 3.33Å; N73-Q105 PolarHBondContact OD1-NE2 3.06Å; C96-Q105 CarbonylContact C-O 3.59Å; C96-Q105 WeakPolarHBondContact CA-O 3.49Å; K97-Q105 PolarHBondContact N-O 3Å; K97-Q105 PolarHBondContact O-N 3Å; L99-Q105 HydrophobicContact CD1-CB 3.83Å; L99-Q105 HydrophobicContact CG-CB 4.07Å |
| 106 | C | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.9 | -179.4 | -43.6 | 0 | 0 | 0 | 0 | 109.2 | T71 V72 V94 C96 | T71-C106 CarbonylContact C-O 3.4Å; T71-C106 WeakPolarHBondContact CA-O 3.37Å; V72-C106 HydrophobicContact CG2-CB 3.76Å; V72-C106 PolarHBondContact N-O 2.65Å; V72-C106 PolarHBondContact O-N 2.96Å; V94-C106 HydrophobicContact CG1-CB 4.05Å; C96-C106 HydrophobicContact CB-CB 3.97Å; C96-C106 WeakPolarHBondContact CB-SG 3.28Å; C96-C106 WeakPolarHBondContact SG-CB 3.3Å; C96-C106 CovalentContact SG-SG 2.01Å; C96-C106 PolarHBondContact SG-SG 2.92Å |
| 107 | I | 94.6 | Very high | 90.1 | Very high | 116 Ų | 116 | 72.3 Ų | 72.3 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.9 | 168 | -60.1 | 173.7 | 0 | 0 | 0 | 106.2 | V94 P109 | V94-I107 WeakPolarHBondContact CG1-O 3.45Å; I107-P109 WeakPolarHBondContact O-CD 3.47Å |
| 108 | L | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -71.8 | 122.2 | 179.7 | -68.6 | -176.5 | 0 | 0 | 0 | 109.6 | G68 G69 I70 V72 F89 F135 F137 | G68-L108 CarbonylContact C-O 3.52Å; G68-L108 WeakPolarHBondContact CA-O 3.41Å; G69-L108 PolarHBondContact N-O 2.66Å; I70-L108 HydrophobicContact CD1-CD1 4.05Å; I70-L108 HydrophobicContact CG1-CB 4.25Å; I70-L108 HydrophobicContact CG1-CD1 3.93Å; I70-L108 HydrophobicContact CG1-CG 4.35Å; I70-L108 PolarHBondContact O-N 2.83Å; V72-L108 HydrophobicContact CG1-CD1 3.58Å; V72-L108 HydrophobicContact CG1-CG 3.85Å; V72-L108 HydrophobicContact CG2-CD1 4.36Å; V72-L108 HydrophobicContact CG2-CD2 3.92Å; V72-L108 HydrophobicContact CG2-CG 3.87Å; F89-L108 HydrophobicContact CD1-CD2 4.41Å; F89-L108 HydrophobicContact CD2-CD2 4.04Å; F89-L108 HydrophobicContact CE1-CD2 3.92Å; F89-L108 HydrophobicContact CE2-CD2 3.49Å; F89-L108 VanDerWaalsContact CE2-CD2 3.49Å; F89-L108 HydrophobicContact CG-CD2 4.49Å; F89-L108 HydrophobicContact CZ-CD2 3.44Å; F89-L108 VanDerWaalsContact CZ-CD2 3.44Å; L108-F135 HydrophobicContact CD1-CE1 3.71Å; L108-F135 HydrophobicContact CD1-CE2 4.43Å; L108-F135 HydrophobicContact CD1-CZ 3.52Å; L108-F137 HydrophobicContact CD1-CE1 4.03Å; L108-F137 HydrophobicContact CD1-CZ 4.3Å | ||
| 109 | P | 91.9 | Very high | 90.2 | Very high | 55 Ų | 55 | 66.5 Ų | 66.5 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | trans | -75.6 | 177.2 | 167.9 | 34.8 | -35.7 | 0 | 0 | 0 | 110.1 | G68 L92 V94 I107 F111 | G68-P109 WeakPolarHBondContact CA-O 3.49Å; L92-P109 HydrophobicContact CD1-CG 3.74Å; L92-P109 HydrophobicContact CD2-CG 3.77Å; L92-P109 HydrophobicContact CG-CG 4.15Å; V94-P109 HydrophobicContact CG2-CG 4.09Å; I107-P109 WeakPolarHBondContact O-CD 3.47Å; P109-F111 PolarHBondContact O-N 2.94Å | ||
| 110 | R | 90.9 | Very high | 90.5 | Very high | 152 Ų | 152 | 67.4 Ų | 67.4 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | trans | -63.1 | 135.1 | 173.7 | -177.6 | 177.6 | -70.5 | -170.7 | -1.8 | 110.4 | M66 | M66-R110 WeakPolarHBondContact O-CA 3.08Š| ||
| 111 | F | 88.6 | Confident | 90.8 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -130.2 | 125.7 | 178.7 | -170.7 | -123.3 | 0 | 0 | 0 | 109.7 | M66 D90 L92 P109 R113 V117 F137 | M66-F111 WeakPolarHBondContact CB-O 3.07Å; M66-F111 PolarHBondContact O-N 3.04Å; M66-F111 VanDerWaalsContact O-O 3.07Å; D90-F111 HydrophobicContact CB-CZ 4.35Å; L92-F111 HydrophobicContact CB-CD2 3.7Å; L92-F111 HydrophobicContact CB-CE2 3.72Å; L92-F111 HydrophobicContact CD2-CB 4.03Å; L92-F111 HydrophobicContact CD2-CD2 3.81Å; L92-F111 HydrophobicContact CD2-CG 4.11Å; L92-F111 HydrophobicContact CG-CD2 4.25Å; P109-F111 PolarHBondContact O-N 2.94Å; F111-R113 HydrophobicContact CD1-CB 4.06Å; F111-R113 HydrophobicContact CE1-CB 3.55Å; F111-R113 HydrophobicContact CZ-CB 4Å; F111-R113 PolarHBondContact O-N 2.85Å; F111-V117 HydrophobicContact CE1-CG1 3.83Å; F111-V117 HydrophobicContact CZ-CG1 4.46Å; F111-F137 HydrophobicContact CB-CD1 4.37Å; F111-F137 HydrophobicContact CB-CE1 4.03Å; F111-F137 HydrophobicContact CB-CZ 4.15Å; F111-F137 HydrophobicContact CD1-CD1 4.23Å; F111-F137 AromaticContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CD2 3.49Å; F111-F137 VanDerWaalsContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CE1 4.27Å; F111-F137 AromaticContact CD1-CE2 3.52Å; F111-F137 HydrophobicContact CD1-CE2 3.52Å; F111-F137 AromaticContact CD1-CG 3.86Å; F111-F137 HydrophobicContact CD1-CG 3.86Å; F111-F137 AromaticContact CD1-CZ 3.93Å; F111-F137 HydrophobicContact CD1-CZ 3.93Å; F111-F137 AromaticContact CE1-CD2 3.85Å; F111-F137 HydrophobicContact CE1-CD2 3.85Å; F111-F137 AromaticContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CG-CE2 4.23Å; F111-F137 HydrophobicContact CG-CZ 4.23Å | ||
| 112 | H | 86.1 | Confident | 91 | Very high | 153 Ų | 153 | 62.3 Ų | 62.3 | 71% | 0.708 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -88.4 | 23.4 | -170.8 | -60.1 | 95.5 | 0 | 0 | 0 | 114 | ||
| 113 | R | 85.6 | Confident | 91.4 | Very high | 118 Ų | 118 | 60.2 Ų | 60.2 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | trans | -127.2 | 151 | 174.7 | -80.1 | -173.2 | -179.9 | 158.2 | 11.3 | 110.3 | D90 E91 F111 F137 | D90-R113 IonicContact OD2-NH1 3.64Å; D90-R113 PolarHBondContact OD2-NH1 3.14Å; E91-R113 IonicContact OE1-CZ 2.66Å; E91-R113 VanDerWaalsContact OE1-CZ 3.24Å; E91-R113 IonicContact OE1-NH1 3.03Å; E91-R113 PolarHBondContact OE1-NH1 2.79Å; E91-R113 IonicContact OE1-NH2 3.7Å; E91-R113 PolarHBondContact OE1-NH2 3.49Å; E91-R113 IonicContact OE2-NH2 3.51Å; F111-R113 HydrophobicContact CD1-CB 4.06Å; F111-R113 HydrophobicContact CE1-CB 3.55Å; F111-R113 HydrophobicContact CZ-CB 4Å; F111-R113 PolarHBondContact O-N 2.85Å; R113-F137 WeakPolarHBondContact O-CB 3.38Å | ||
| 114 | V | 88.7 | Confident | 91.6 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | trans | -123.7 | 140.5 | 179.8 | 174.2 | 0 | 0 | 0 | 0 | 107.2 | M66 F137 L139 | M66-V114 HydrophobicContact CB-CG2 4.39Å; M66-V114 HydrophobicContact SD-CG2 3.76Å; V114-F137 CarbonylContact C-O 3.45Å; V114-F137 WeakPolarHBondContact CA-O 3.43Å; V114-F137 VanDerWaalsContact CG1-O 3.26Å; V114-F137 WeakPolarHBondContact CG1-O 3.44Å; V114-L139 HydrophobicContact CB-CG 4.27Å; V114-L139 HydrophobicContact CG1-CD1 4.38Å; V114-L139 HydrophobicContact CG1-CG 3.87Å; V114-L139 HydrophobicContact CG2-CD2 3.6Å; V114-L139 HydrophobicContact CG2-CG 3.59Å | ||
| 115 | G | 91.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.5 | -172.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F137 | G115-F137 PolarHBondContact N-O 3.38Å; G115-F137 PolarHBondContact O-N 2.9Å |
| 116 | H | 92.5 | Very high | 91.2 | Very high | 147 Ų | 147 | 56.3 Ų | 56.3 | 68% | 0.681 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 126.4 | 173.5 | -74.4 | -86.3 | 0 | 0 | 0 | 110.1 | F135 Y136 | H116-F135 WeakPolarHBondContact CA-O 3.5Å; H116-Y136 AromaticContact CD2-CD2 3.56Å; H116-Y136 AromaticContact CE1-CD2 3.88Å; H116-Y136 AromaticContact CG-CD2 3.9Å; H116-Y136 AromaticContact NE2-CD2 3.54Å |
| 117 | V | 93.1 | Very high | 90.9 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 149.2 | 173.7 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | F89 D90 F111 V119 S134 F135 F137 | F89-V117 HydrophobicContact CD1-CG2 4.38Å; D90-V117 HydrophobicContact CB-CB 4.14Å; D90-V117 HydrophobicContact CB-CG1 4.19Å; F111-V117 HydrophobicContact CE1-CG1 3.83Å; F111-V117 HydrophobicContact CZ-CG1 4.46Å; V117-V119 HydrophobicContact CG2-CG2 4.18Å; V117-S134 WeakPolarHBondContact O-CA 3.25Å; V117-F135 HydrophobicContact CG2-CB 3.99Å; V117-F135 HydrophobicContact CG2-CD1 4.39Å; V117-F135 VanDerWaalsContact CG2-O 3.25Å; V117-F135 WeakPolarHBondContact CG2-O 3.2Å; V117-F135 PolarHBondContact N-O 2.61Å; V117-F135 PolarHBondContact O-N 3.19Å; V117-F137 HydrophobicContact CB-CD2 4.44Å; V117-F137 HydrophobicContact CG1-CD2 3.86Å; V117-F137 HydrophobicContact CG1-CE2 4.27Å; V117-F137 HydrophobicContact CG2-CD2 3.69Å; V117-F137 HydrophobicContact CG2-CE2 3.64Å |
| 118 | T | 93.4 | Very high | 90.8 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.8 | 169.4 | -58.6 | 0 | 0 | 0 | 0 | 108.4 | D90 K120 T132 | D90-T118 PolarHBondContact N-O 2.69Å; T118-K120 HydrophobicContact CG2-CG 4.32Å; T118-T132 HydrophobicContact CG2-CG2 3.4Å |
| 119 | V | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136 | 175.8 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | L57 I59 V87 L88 F89 V117 T132 G133 F135 | L57-V119 HydrophobicContact CD2-CG1 4.29Å; I59-V119 HydrophobicContact CD1-CB 3.66Å; I59-V119 HydrophobicContact CD1-CG1 3.42Å; I59-V119 VanDerWaalsContact CD1-CG1 3.42Å; I59-V119 HydrophobicContact CD1-CG2 3.71Å; V87-V119 HydrophobicContact CG1-CG1 3.25Å; L88-V119 CarbonylContact O-C 3.55Å; L88-V119 VanDerWaalsContact O-CA 3.29Å; L88-V119 WeakPolarHBondContact O-CA 3.43Å; F89-V119 HydrophobicContact CD1-CB 4.35Å; F89-V119 HydrophobicContact CD1-CG1 3.99Å; F89-V119 HydrophobicContact CD1-CG2 3.41Å; F89-V119 VanDerWaalsContact CD1-CG2 3.41Å; F89-V119 HydrophobicContact CE1-CB 4.46Å; F89-V119 HydrophobicContact CE1-CG1 3.89Å; F89-V119 HydrophobicContact CE1-CG2 3.69Å; F89-V119 HydrophobicContact CG-CG1 4.34Å; F89-V119 HydrophobicContact CG-CG2 4.26Å; F89-V119 HydrophobicContact CZ-CG1 4.15Å; V117-V119 HydrophobicContact CG2-CG2 4.18Å; V119-T132 CarbonylContact O-C 3.53Å; V119-T132 VanDerWaalsContact O-CA 3.29Å; V119-T132 WeakPolarHBondContact O-CA 3.45Å; V119-G133 PolarHBondContact N-O 2.8Å; V119-G133 PolarHBondContact O-N 3.12Å; V119-F135 HydrophobicContact CG2-CB 3.43Å; V119-F135 VanDerWaalsContact CG2-CB 3.43Å |
| 120 | K | 93.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 37% | 0.365 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.6 | 175.5 | -52.1 | 178.8 | -177.3 | 172.2 | 0 | 110.1 | V87 L88 T118 F129 Y131 T132 | V87-K120 CarbonylContact C-O 3.57Å; V87-K120 WeakPolarHBondContact CA-O 3.11Å; L88-K120 HydrophobicContact CB-CB 4.47Å; L88-K120 PolarHBondContact N-O 3.29Å; L88-K120 PolarHBondContact O-N 3Å; T118-K120 HydrophobicContact CG2-CG 4.32Å; K120-F129 HydrophobicContact CB-CB 3.88Å; K120-F129 HydrophobicContact CB-CD1 3.66Å; K120-F129 HydrophobicContact CB-CG 4.08Å; K120-F129 HydrophobicContact CD-CB 4.13Å; K120-Y131 VanDerWaalsContact CA-O 3.3Å; K120-Y131 WeakPolarHBondContact CA-O 3.12Å; K120-T132 HydrophobicContact CG-CG2 4.35Å |
| 121 | I | 92.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.9 | 179 | -174.9 | 169.4 | 0 | 0 | 0 | 110.9 | L57 V74 P77 L79 V85 V87 F129 P130 Y131 | L57-I121 HydrophobicContact CD1-CB 4.01Å; L57-I121 HydrophobicContact CD1-CD1 4.22Å; L57-I121 HydrophobicContact CD1-CG2 3.7Å; L57-I121 HydrophobicContact CD2-CB 4.14Å; L57-I121 HydrophobicContact CD2-CG2 3.96Å; L57-I121 HydrophobicContact CG-CG2 4.37Å; V74-I121 HydrophobicContact CG1-CD1 3.91Å; P77-I121 HydrophobicContact CG-CD1 4.27Å; P77-I121 HydrophobicContact CG-CG2 4.11Å; L79-I121 HydrophobicContact CD2-CD1 4.06Å; V85-I121 HydrophobicContact CG1-CD1 3.82Å; V85-I121 HydrophobicContact CG1-CG1 3.96Å; V87-I121 HydrophobicContact CG2-CB 4.36Å; V87-I121 HydrophobicContact CG2-CD1 4.3Å; V87-I121 HydrophobicContact CG2-CG1 4.04Å; I121-F129 WeakPolarHBondContact O-CA 3.26Å; I121-P130 WeakPolarHBondContact O-CD 3.43Å; I121-Y131 HydrophobicContact CG2-CD2 3.89Å; I121-Y131 HydrophobicContact CG2-CG 4.26Å; I121-Y131 PolarHBondContact N-O 3.16Å |
| 122 | S | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.5 | 171 | 162.9 | 0 | 0 | 0 | 0 | 109 | V85 H86 D124 G126 H128 | V85-S122 CarbonylContact C-O 3.54Å; V85-S122 VanDerWaalsContact CA-O 3.31Å; V85-S122 WeakPolarHBondContact CA-O 3.44Å; H86-S122 PolarHBondContact N-O 3.22Å; H86-S122 PolarHBondContact O-N 3.32Å; S122-D124 PolarHBondContact OG-N 3.1Å; S122-D124 PolarHBondContact OG-OD1 3.01Å; S122-G126 VanDerWaalsContact OG-CA 3.23Å; S122-G126 WeakPolarHBondContact OG-CA 3.35Å; S122-G126 PolarHBondContact OG-N 3.02Å; S122-H128 VanDerWaalsContact CA-O 3.24Å; S122-H128 WeakPolarHBondContact CA-O 3.42Å; S122-H128 WeakPolarHBondContact CB-O 3.17Å; S122-H128 PolarHBondContact OG-O 3.03Å |
| 123 | H | 92.1 | Very high | 91 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 30% | 0.296 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -113.4 | 7.2 | 174.1 | 60.6 | -84.2 | 0 | 0 | 0 | 112.1 | L79 S83 | L79-H123 HydrophobicContact CD2-CB 3.95Å; S83-H123 WeakPolarHBondContact CB-O 3.32Å |
| 124 | D | 91.2 | Very high | 91.2 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -122 | 26.5 | -173.3 | 68.7 | -18.3 | 0 | 0 | 0 | 112.8 | S122 R127 H128 | S122-D124 PolarHBondContact OG-N 3.1Å; S122-D124 PolarHBondContact OG-OD1 3.01Å; D124-R127 PolarHBondContact OD1-N 3.03Å; D124-R127 WeakPolarHBondContact OD2-CB 3.49Å; D124-H128 PolarHBondContact OD1-N 3.24Å; D124-H128 WeakPolarHBondContact OD2-CB 3.12Å; D124-H128 IonicContact OD2-CE1 3.92Å; D124-H128 IonicContact OD2-CG 2.87Å; D124-H128 PolarHBondContact OD2-N 2.99Å; D124-H128 IonicContact OD2-ND1 3.24Å; D124-H128 PolarHBondContact OD2-ND1 2.87Å |
| 125 | G | 87.3 | Confident | 91.3 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 82.3 | 24.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T84 | T84-G125 PolarHBondContact O-N 3.04Å; T84-G125 VanDerWaalsContact OG1-CA 3.26Å; T84-G125 WeakPolarHBondContact OG1-CA 3.4Å; T84-G125 PolarHBondContact OG1-N 3.2Å; T84-G125 VanDerWaalsContact OG1-N 3.15Å |
| 126 | G | 87.8 | Confident | 91.4 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 89.9 | 15.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S122 F129 | S122-G126 VanDerWaalsContact OG-CA 3.23Å; S122-G126 WeakPolarHBondContact OG-CA 3.35Å; S122-G126 PolarHBondContact OG-N 3.02Å; G126-F129 WeakPolarHBondContact O-CE2 3.1Å |
| 127 | R | 89 | Confident | 91.3 | Very high | 205 Ų | 205 | 55.2 Ų | 55.2 | 77% | 0.774 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -89.2 | -42.2 | -177.7 | -52.4 | 178.3 | 81.3 | -176.8 | 6.1 | 112.2 | D124 | D124-R127 PolarHBondContact OD1-N 3.03Å; D124-R127 WeakPolarHBondContact OD2-CB 3.49Å |
| 128 | H | 92.3 | Very high | 90.9 | Very high | 124 Ų | 124 | 55.3 Ų | 55.3 | 57% | 0.574 | 29% | 0.293 | S | S | * | . | trans | -124.9 | 140.1 | 178.3 | -61.8 | 89.6 | 0 | 0 | 0 | 112.3 | S122 D124 P130 | S122-H128 VanDerWaalsContact CA-O 3.24Å; S122-H128 WeakPolarHBondContact CA-O 3.42Å; S122-H128 WeakPolarHBondContact CB-O 3.17Å; S122-H128 PolarHBondContact OG-O 3.03Å; D124-H128 PolarHBondContact OD1-N 3.24Å; D124-H128 WeakPolarHBondContact OD2-CB 3.12Å; D124-H128 IonicContact OD2-CE1 3.92Å; D124-H128 IonicContact OD2-CG 2.87Å; D124-H128 PolarHBondContact OD2-N 2.99Å; D124-H128 IonicContact OD2-ND1 3.24Å; D124-H128 PolarHBondContact OD2-ND1 2.87Å; H128-P130 VanDerWaalsContact C-CD 3.42Å; H128-P130 VanDerWaalsContact O-CD 3.29Å; H128-P130 WeakPolarHBondContact O-CD 3.01Å | ||
| 129 | F | 92.5 | Very high | 90.3 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 25% | 0.254 | 30% | 0.299 | S | S | . | . | trans | -122.4 | 71 | -177.3 | -71.8 | -81.8 | 0 | 0 | 0 | 111.6 | L88 L93 K120 I121 G126 | L88-F129 HydrophobicContact CB-CD1 4.16Å; L88-F129 HydrophobicContact CB-CE1 3.57Å; L88-F129 HydrophobicContact CB-CZ 4.01Å; L88-F129 HydrophobicContact CD2-CE1 4.41Å; L88-F129 HydrophobicContact CD2-CE2 4.49Å; L88-F129 HydrophobicContact CD2-CZ 4.31Å; L93-F129 HydrophobicContact CD1-CE1 4.28Å; L93-F129 HydrophobicContact CD1-CZ 3.83Å; K120-F129 HydrophobicContact CB-CB 3.88Å; K120-F129 HydrophobicContact CB-CD1 3.66Å; K120-F129 HydrophobicContact CB-CG 4.08Å; K120-F129 HydrophobicContact CD-CB 4.13Å; I121-F129 WeakPolarHBondContact O-CA 3.26Å; G126-F129 WeakPolarHBondContact O-CE2 3.1Å | ||
| 130 | P | 88 | Confident | 89 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | trans | -73.4 | -26.8 | -171.9 | 25.5 | -33.4 | 0 | 0 | 0 | 114.7 | I121 H128 | I121-P130 WeakPolarHBondContact O-CD 3.43Å; H128-P130 VanDerWaalsContact C-CD 3.42Å; H128-P130 VanDerWaalsContact O-CD 3.29Å; H128-P130 WeakPolarHBondContact O-CD 3.01Å | ||
| 131 | Y | 90.1 | Very high | 87 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 35% | 0.349 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.6 | -177.7 | -46.7 | -88 | 0 | 0 | 0 | 110.8 | P77 K120 I121 | P77-Y131 HydrophobicContact CB-CD1 4.17Å; P77-Y131 HydrophobicContact CB-CD2 3.56Å; P77-Y131 HydrophobicContact CB-CE1 3.98Å; P77-Y131 HydrophobicContact CB-CE2 3.35Å; P77-Y131 HydrophobicContact CB-CG 3.98Å; P77-Y131 HydrophobicContact CG-CD2 3.87Å; P77-Y131 HydrophobicContact CG-CE2 4.14Å; P77-Y131 HydrophobicContact CG-CG 4.25Å; K120-Y131 VanDerWaalsContact CA-O 3.3Å; K120-Y131 WeakPolarHBondContact CA-O 3.12Å; I121-Y131 HydrophobicContact CG2-CD2 3.89Å; I121-Y131 HydrophobicContact CG2-CG 4.26Å; I121-Y131 PolarHBondContact N-O 3.16Å |
| 132 | T | 91.6 | Very high | 84.9 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.4 | -178 | -55.5 | 0 | 0 | 0 | 0 | 110.1 | T118 V119 K120 | T118-T132 HydrophobicContact CG2-CG2 3.4Å; V119-T132 CarbonylContact O-C 3.53Å; V119-T132 VanDerWaalsContact O-CA 3.29Å; V119-T132 WeakPolarHBondContact O-CA 3.45Å; K120-T132 HydrophobicContact CG-CG2 4.35Å |
| 133 | G | 90.6 | Very high | 82.4 | Confident | 19 Ų | 19 | 78.6 Ų | 78.6 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | -168.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V119 | V119-G133 PolarHBondContact N-O 2.8Å; V119-G133 PolarHBondContact O-N 3.12Å |
| 134 | S | 90.3 | Very high | 80.4 | Confident | 83 Ų | 83 | 78.1 Ų | 78.1 | 58% | 0.58 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.3 | -179.6 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | V117 | V117-S134 WeakPolarHBondContact O-CA 3.25Å |
| 135 | F | 91.8 | Very high | 78.6 | Confident | 1 Ų | 1 | 85.9 Ų | 85.9 | 0% | 0.004 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.1 | 174.3 | -176 | -95.3 | 0 | 0 | 0 | 109.6 | I59 P61 D62 K63 G64 V72 F89 L108 H116 V117 V119 F137 | I59-F135 HydrophobicContact CB-CD2 4.25Å; I59-F135 HydrophobicContact CD1-CB 4.42Å; I59-F135 HydrophobicContact CG2-CD2 3.73Å; I59-F135 HydrophobicContact CG2-CE2 3.96Å; P61-F135 VanDerWaalsContact O-CE2 3.23Å; P61-F135 WeakPolarHBondContact O-CE2 3.35Å; D62-F135 WeakPolarHBondContact O-CD2 3.01Å; K63-F135 VanDerWaalsContact C-CZ 3.46Å; G64-F135 VanDerWaalsContact N-CZ 3.3Å; V72-F135 HydrophobicContact CG1-CE2 4.06Å; V72-F135 HydrophobicContact CG1-CZ 4.15Å; F89-F135 HydrophobicContact CD1-CB 4.24Å; F89-F135 HydrophobicContact CD1-CD1 4.22Å; F89-F135 HydrophobicContact CD1-CG 4.31Å; F89-F135 HydrophobicContact CE1-CB 4.16Å; F89-F135 HydrophobicContact CE1-CD1 4.19Å; F89-F135 HydrophobicContact CE1-CD2 4.4Å; F89-F135 HydrophobicContact CE1-CG 4.01Å; L108-F135 HydrophobicContact CD1-CE1 3.71Å; L108-F135 HydrophobicContact CD1-CE2 4.43Å; L108-F135 HydrophobicContact CD1-CZ 3.52Å; H116-F135 WeakPolarHBondContact CA-O 3.5Å; V117-F135 HydrophobicContact CG2-CB 3.99Å; V117-F135 HydrophobicContact CG2-CD1 4.39Å; V117-F135 VanDerWaalsContact CG2-O 3.25Å; V117-F135 WeakPolarHBondContact CG2-O 3.2Å; V117-F135 PolarHBondContact N-O 2.61Å; V117-F135 PolarHBondContact O-N 3.19Å; V119-F135 HydrophobicContact CG2-CB 3.43Å; V119-F135 VanDerWaalsContact CG2-CB 3.43Å; F135-F137 AromaticContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CE1 4.39Å; F135-F137 AromaticContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CG 4.35Å; F135-F137 HydrophobicContact CD1-CZ 4.03Å; F135-F137 HydrophobicContact CE1-CD1 4.04Å; F135-F137 HydrophobicContact CE1-CD2 4.3Å; F135-F137 AromaticContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE2 4.15Å; F135-F137 HydrophobicContact CE1-CG 4.26Å; F135-F137 AromaticContact CE1-CZ 3.93Å; F135-F137 HydrophobicContact CE1-CZ 3.93Å |
| 136 | Y | 91.6 | Very high | 76.6 | Confident | 82 Ų | 82 | 89.5 Ų | 89.5 | 32% | 0.322 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.6 | 179.3 | -177.1 | -93.9 | 0 | 0 | 0 | 111.6 | D62 K63 G64 H116 | D62-Y136 PolarHBondContact O-N 3.48Å; D62-Y136 VanDerWaalsContact O-N 3.08Å; K63-Y136 CarbonylContact C-O 3.58Å; K63-Y136 VanDerWaalsContact CA-O 3.27Å; K63-Y136 WeakPolarHBondContact CA-O 3.46Å; K63-Y136 HydrophobicContact CB-CD1 4.34Å; K63-Y136 HydrophobicContact CD-CD1 4.36Å; K63-Y136 HydrophobicContact CG-CD1 4.45Å; G64-Y136 PolarHBondContact N-O 3.2Å; H116-Y136 AromaticContact CD2-CD2 3.56Å; H116-Y136 AromaticContact CE1-CD2 3.88Å; H116-Y136 AromaticContact CG-CD2 3.9Å; H116-Y136 AromaticContact NE2-CD2 3.54Å |
| 137 | F | 91.3 | Very high | 74.4 | Confident | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117 | 167.5 | -75.5 | -79 | 0 | 0 | 0 | 109.9 | G64 F89 L108 F111 R113 V114 G115 V117 F135 | G64-F137 CarbonylContact O-C 3.53Å; G64-F137 WeakPolarHBondContact O-CA 3.46Å; F89-F137 HydrophobicContact CB-CE2 4.17Å; F89-F137 HydrophobicContact CB-CZ 4.43Å; F89-F137 HydrophobicContact CD1-CE2 4.13Å; F89-F137 HydrophobicContact CD1-CZ 4.19Å; F89-F137 HydrophobicContact CG-CE2 4.44Å; F89-F137 HydrophobicContact CG-CZ 4.42Å; L108-F137 HydrophobicContact CD1-CE1 4.03Å; L108-F137 HydrophobicContact CD1-CZ 4.3Å; F111-F137 HydrophobicContact CB-CD1 4.37Å; F111-F137 HydrophobicContact CB-CE1 4.03Å; F111-F137 HydrophobicContact CB-CZ 4.15Å; F111-F137 HydrophobicContact CD1-CD1 4.23Å; F111-F137 AromaticContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CD2 3.49Å; F111-F137 VanDerWaalsContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CE1 4.27Å; F111-F137 AromaticContact CD1-CE2 3.52Å; F111-F137 HydrophobicContact CD1-CE2 3.52Å; F111-F137 AromaticContact CD1-CG 3.86Å; F111-F137 HydrophobicContact CD1-CG 3.86Å; F111-F137 AromaticContact CD1-CZ 3.93Å; F111-F137 HydrophobicContact CD1-CZ 3.93Å; F111-F137 AromaticContact CE1-CD2 3.85Å; F111-F137 HydrophobicContact CE1-CD2 3.85Å; F111-F137 AromaticContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CG-CE2 4.23Å; F111-F137 HydrophobicContact CG-CZ 4.23Å; R113-F137 WeakPolarHBondContact O-CB 3.38Å; V114-F137 CarbonylContact C-O 3.45Å; V114-F137 WeakPolarHBondContact CA-O 3.43Å; V114-F137 VanDerWaalsContact CG1-O 3.26Å; V114-F137 WeakPolarHBondContact CG1-O 3.44Å; G115-F137 PolarHBondContact N-O 3.38Å; G115-F137 PolarHBondContact O-N 2.9Å; V117-F137 HydrophobicContact CB-CD2 4.44Å; V117-F137 HydrophobicContact CG1-CD2 3.86Å; V117-F137 HydrophobicContact CG1-CE2 4.27Å; V117-F137 HydrophobicContact CG2-CD2 3.69Å; V117-F137 HydrophobicContact CG2-CE2 3.64Å; F135-F137 AromaticContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CE1 4.39Å; F135-F137 AromaticContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CG 4.35Å; F135-F137 HydrophobicContact CD1-CZ 4.03Å; F135-F137 HydrophobicContact CE1-CD1 4.04Å; F135-F137 HydrophobicContact CE1-CD2 4.3Å; F135-F137 AromaticContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE2 4.15Å; F135-F137 HydrophobicContact CE1-CG 4.26Å; F135-F137 AromaticContact CE1-CZ 3.93Å; F135-F137 HydrophobicContact CE1-CZ 3.93Å |
| 138 | G | 85.2 | Confident | 72.3 | Confident | 13 Ų | 13 | 87.2 Ų | 87.2 | 13% | 0.134 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 147.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G64 M66 | G64-G138 PolarHBondContact O-N 3.21Å; M66-G138 PolarHBondContact N-O 2.83Å; M66-G138 VanDerWaalsContact N-O 3.07Å |
| 139 | L | 80.5 | Confident | 69.9 | Low | 101 Ų | 101 | 89.1 Ų | 89.1 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -60 | 152.5 | 158.5 | -76.2 | 163.2 | 0 | 0 | 0 | 109 | M66 V114 H141 | M66-L139 HydrophobicContact SD-CD2 3.71Å; V114-L139 HydrophobicContact CB-CG 4.27Å; V114-L139 HydrophobicContact CG1-CD1 4.38Å; V114-L139 HydrophobicContact CG1-CG 3.87Å; V114-L139 HydrophobicContact CG2-CD2 3.6Å; V114-L139 HydrophobicContact CG2-CG 3.59Å; L139-H141 VanDerWaalsContact C-N 3.29Å; L139-H141 PolarHBondContact O-N 2.84Å |
| 140 | Y | 66.7 | Low | 67.3 | Low | 145 Ų | 145 | 89.8 Ų | 89.8 | 57% | 0.569 | 49% | 0.493 | S | S | * | . | trans | -60.2 | 102.4 | 156.2 | 78.1 | -78.6 | 0 | 0 | 0 | 106.6 | L142 | Y140-L142 HydrophobicContact CD2-CD1 4.06Å; Y140-L142 HydrophobicContact CD2-CG 4.35Å; Y140-L142 HydrophobicContact CE2-CD1 4.17Å | ||
| 141 | H | 50.3 | Low | 65 | Low | 158 Ų | 158 | 91.9 Ų | 91.9 | 73% | 0.731 | 50% | 0.504 | S | S | * | . | trans | -131.1 | 78.2 | 158.3 | -124 | -86 | 0 | 0 | 0 | 105.5 | L139 N143 | L139-H141 VanDerWaalsContact C-N 3.29Å; L139-H141 PolarHBondContact O-N 2.84Å; H141-N143 VanDerWaalsContact C-N 3.34Å; H141-N143 PolarHBondContact O-N 3.17Å | ||
| 142 | L | 49.2 | Very low | 62.7 | Low | 106 Ų | 106 | 93.3 Ų | 93.3 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | 14.2 | 81.6 | 125.2 | -63.3 | 160.9 | 0 | 0 | 0 | 112.6 | Y140 C144 | Y140-L142 HydrophobicContact CD2-CD1 4.06Å; Y140-L142 HydrophobicContact CD2-CG 4.35Å; Y140-L142 HydrophobicContact CE2-CD1 4.17Å; L142-C144 HydrophobicContact CB-CB 3.96Å; L142-C144 HydrophobicContact CD2-CB 3.67Å; L142-C144 WeakPolarHBondContact CD2-SG 3.19Å; L142-C144 HydrophobicContact CG-CB 4.39Å; L142-C144 PolarHBondContact O-N 3.17Å | |||
| 143 | N | 41 | Very low | 60.3 | Low | 134 Ų | 134 | 97.9 Ų | 97.9 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | trans | -71.4 | 53.5 | 135.9 | -86.2 | -15.7 | 0 | 0 | 0 | 107.6 | H141 Y145 | H141-N143 VanDerWaalsContact C-N 3.34Å; H141-N143 PolarHBondContact O-N 3.17Å; N143-Y145 PolarHBondContact O-N 2.88Å; N143-Y145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | C | 51 | Low | 58 | Low | 54 Ų | 54 | 102.6 Ų | 102.6 | 37% | 0.365 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | 48.5 | 165.1 | -83.1 | 0 | 0 | 0 | 0 | 109.5 | L142 S146 C147 | L142-C144 HydrophobicContact CB-CB 3.96Å; L142-C144 HydrophobicContact CD2-CB 3.67Å; L142-C144 WeakPolarHBondContact CD2-SG 3.19Å; L142-C144 HydrophobicContact CG-CB 4.39Å; L142-C144 PolarHBondContact O-N 3.17Å; C144-S146 PolarHBondContact O-N 2.83Å; C144-C147 HydrophobicContact CB-CB 3.84Å; C144-C147 WeakPolarHBondContact SG-CB 3.5Å |
| 145 | Y | 51.8 | Low | 55.5 | Low | 215 Ų | 215 | 108.8 Ų | 108.8 | 84% | 0.843 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -8.3 | 148.9 | -68.7 | -75.1 | 0 | 0 | 0 | 111.1 | N143 | N143-Y145 PolarHBondContact O-N 2.88Å; N143-Y145 VanDerWaalsContact O-N 3.12Å |
| 146 | S | 46.1 | Very low | 53.2 | Low | 111 Ų | 111 | 113.3 Ų | 113.3 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -116.7 | 11.4 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | C144 | C144-S146 PolarHBondContact O-N 2.83Š|
| 147 | C | 40.7 | Very low | 51.3 | Low | 77 Ų | 77 | 118.7 Ų | 118.7 | 52% | 0.52 | 67% | 0.671 | S | S | . | * | trans | -122.5 | 38.4 | 170.8 | -149.3 | 0 | 0 | 0 | 0 | 112.4 | C144 I149 | C144-C147 HydrophobicContact CB-CB 3.84Å; C144-C147 WeakPolarHBondContact SG-CB 3.5Å; C147-I149 PolarHBondContact O-N 3.39Å | ||
| 148 | S | 44.6 | Very low | 49.3 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -74.1 | 13 | 169.8 | -44.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 149 | I | 43.6 | Very low | 47.4 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -131.1 | 66.6 | -177.1 | -44.3 | 174.5 | 0 | 0 | 0 | 109.3 | C147 | C147-I149 PolarHBondContact O-N 3.39Š| ||
| 150 | A | 36.5 | Very low | 45.5 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -152.5 | 124.3 | 150 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 151 | T | 40.4 | Very low | 44.3 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 82.3 | 61.1 | 168.8 | 83 | 0 | 0 | 0 | 0 | 117.7 | F153 | T151-F153 VanDerWaalsContact C-N 3.3Å; T151-F153 HydrophobicContact CG2-CD2 4.14Å; T151-F153 HydrophobicContact CG2-CE2 4.28Å | ||
| 152 | S | 42.1 | Very low | 43.9 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -86.6 | 80.4 | 134.7 | 62.6 | 0 | 0 | 0 | 0 | 107.8 | P154 | S152-P154 WeakPolarHBondContact O-CD 3.25Š| ||
| 153 | F | 41 | Very low | 43.6 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | trans | -82 | 108.8 | 161.1 | -89.4 | -85.3 | 0 | 0 | 0 | 106.7 | T151 K155 | T151-F153 VanDerWaalsContact C-N 3.3Å; T151-F153 HydrophobicContact CG2-CD2 4.14Å; T151-F153 HydrophobicContact CG2-CE2 4.28Å; F153-K155 PolarHBondContact O-N 2.63Å; F153-K155 VanDerWaalsContact O-N 3.14Å | ||
| 154 | P | 43.2 | Very low | 43.7 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -67.6 | 114.3 | 172 | 26.5 | -30.1 | 0 | 0 | 0 | 108.6 | S152 A156 | S152-P154 WeakPolarHBondContact O-CD 3.25Å; P154-A156 PolarHBondContact O-N 3.37Å | ||
| 155 | K | 37.9 | Very low | 43.2 | Very low | 213 Ų | 213 | 137 Ų | 137 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -68.7 | 115.1 | 153.2 | -83.3 | 179 | 174.8 | 178.4 | 0 | 106.6 | F153 | F153-K155 PolarHBondContact O-N 2.63Å; F153-K155 VanDerWaalsContact O-N 3.14Å | ||
| 156 | A | 41.7 | Very low | 42.5 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -132.4 | 109.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | P154 | P154-A156 PolarHBondContact O-N 3.37Š| ||
| 157 | S | 51.8 | Low | 42.1 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 100% | 1.364 | 81% | 0.806 | S | S | * | * | trans | -55.4 | 0 | 167.7 | 52.1 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 157 of 157 residues in 85.3 ms
(Link to these results)