| 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 | 47 | Very low | 50 | Low | 214 Ų | 214 | 124 Ų | 124 | 100% | 1.054 | 65% | 0.651 | S | S | * | * | 0 | -23.1 | 0 | -75.1 | 175.2 | 176.1 | 0 | 0 | 114.8 | |||||
| 2 | R | 41.4 | Very low | 50.1 | Low | 227 Ų | 227 | 123.3 Ų | 123.3 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.5 | -24.6 | 177.9 | -75.4 | 178.3 | 165.8 | 179.8 | -5.3 | 115.7 | ||
| 3 | C | 44 | Very low | 50.1 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 76% | 0.764 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.2 | -32.4 | 177.3 | -95.7 | 0 | 0 | 0 | 0 | 114.6 | I5 A7 | C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 3.48Å; C3-A7 PolarHBondContact O-N 3.48Å |
| 4 | L | 46.3 | Very low | 50.1 | Low | 132 Ų | 132 | 119.1 Ų | 119.1 | 69% | 0.691 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.1 | -27.2 | -179 | -91.6 | 107.8 | 0 | 0 | 0 | 113 | L8 | L4-L8 PolarHBondContact O-N 3.24Å |
| 5 | I | 52.7 | Low | 50 | Low | 119 Ų | 119 | 118 Ų | 118 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.3 | -37.1 | -178.6 | -59.7 | 173 | 0 | 0 | 0 | 110.7 | C3 A9 | C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 3.48Å; I5-A9 PolarHBondContact O-N 3.44Å |
| 6 | F | 50.6 | Low | 49.8 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 70% | 0.702 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.1 | -33.2 | 176.6 | -92.1 | -85.7 | 0 | 0 | 0 | 113 | A9 V10 | F6-A9 PolarHBondContact O-N 3.2Å; F6-V10 WeakPolarHBondContact O-CG2 3.46Å; F6-V10 PolarHBondContact O-N 3.45Å |
| 7 | A | 52.4 | Low | 49.5 | Very low | 54 Ų | 54 | 124.4 Ų | 124.4 | 45% | 0.446 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.9 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C3 I11 | C3-A7 PolarHBondContact O-N 3.48Å; A7-I11 WeakPolarHBondContact O-CD1 3.44Å; A7-I11 VanDerWaalsContact O-CG1 3.27Å; A7-I11 WeakPolarHBondContact O-CG1 3.39Å; A7-I11 PolarHBondContact O-N 3Å |
| 8 | L | 53.8 | Low | 49.1 | Very low | 105 Ų | 105 | 120.3 Ų | 120.3 | 55% | 0.55 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.9 | -35.8 | 176.4 | -87.3 | 153.4 | 0 | 0 | 0 | 112.7 | L4 I11 L12 | L4-L8 PolarHBondContact O-N 3.24Å; L8-I11 PolarHBondContact O-N 3.46Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.92Å |
| 9 | A | 53.6 | Low | 48.9 | Very low | 58 Ų | 58 | 127.1 Ų | 127.1 | 48% | 0.479 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.9 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I5 F6 S13 | I5-A9 PolarHBondContact O-N 3.44Å; F6-A9 PolarHBondContact O-N 3.2Å; A9-S13 WeakPolarHBondContact O-CB 3.44Å; A9-S13 PolarHBondContact O-N 3Å |
| 10 | V | 55.1 | Low | 48.7 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 49% | 0.485 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75 | -34.8 | 176.8 | 176 | 0 | 0 | 0 | 0 | 111.8 | F6 S13 L14 | F6-V10 WeakPolarHBondContact O-CG2 3.46Å; F6-V10 PolarHBondContact O-N 3.45Å; V10-S13 PolarHBondContact O-N 2.96Å; V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 WeakPolarHBondContact O-CB 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 3.33Å |
| 11 | I | 53.6 | Low | 48.9 | Very low | 102 Ų | 102 | 127 Ų | 127 | 52% | 0.523 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69.1 | -39.2 | 174.6 | -66.1 | 165.4 | 0 | 0 | 0 | 111.1 | A7 L8 S13 L14 C15 | A7-I11 WeakPolarHBondContact O-CD1 3.44Å; A7-I11 VanDerWaalsContact O-CG1 3.27Å; A7-I11 WeakPolarHBondContact O-CG1 3.39Å; A7-I11 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.46Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-L14 PolarHBondContact O-N 3.17Å; I11-C15 WeakPolarHBondContact O-CB 3.33Å; I11-C15 PolarHBondContact O-N 3.36Å |
| 12 | L | 51.2 | Low | 49.4 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 60% | 0.602 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.5 | -31.2 | 172.8 | -80.6 | 158.9 | 0 | 0 | 0 | 112.6 | L8 Q16 | L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.92Å; L12-Q16 PolarHBondContact O-N 3.44Å |
| 13 | S | 49.9 | Very low | 50.3 | Low | 78 Ų | 78 | 114.2 Ų | 114.2 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.9 | -31.8 | 172.9 | 145.4 | 0 | 0 | 0 | 0 | 113 | A9 V10 I11 | A9-S13 WeakPolarHBondContact O-CB 3.44Å; A9-S13 PolarHBondContact O-N 3Å; V10-S13 PolarHBondContact O-N 2.96Å; I11-S13 VanDerWaalsContact C-N 3.34Å |
| 14 | L | 49.6 | Very low | 51.9 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.9 | -24.9 | 175.5 | -75.5 | 164.4 | 0 | 0 | 0 | 113 | V10 I11 Q16 | V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 WeakPolarHBondContact O-CB 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 3.33Å; I11-L14 PolarHBondContact O-N 3.17Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 3.47Å |
| 15 | C | 48.2 | Very low | 54 | Low | 103 Ų | 103 | 105 Ų | 105 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -5.3 | 170.2 | -80.1 | 0 | 0 | 0 | 0 | 114 | I11 | I11-C15 WeakPolarHBondContact O-CB 3.33Å; I11-C15 PolarHBondContact O-N 3.36Å |
| 16 | Q | 47.4 | Very low | 55.8 | Low | 163 Ų | 163 | 99.4 Ų | 99.4 | 76% | 0.762 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 17.8 | 172.1 | -68.9 | -156.1 | 1.8 | 0 | 0 | 113.7 | L12 L14 G18 | L12-Q16 PolarHBondContact O-N 3.44Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 3.47Å; Q16-G18 PolarHBondContact O-N 2.78Å |
| 17 | F | 45 | Very low | 57.8 | Low | 182 Ų | 182 | 91.8 Ų | 91.8 | 80% | 0.798 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -65.3 | 87.9 | 151.1 | -103.9 | -85.3 | 0 | 0 | 0 | 107.2 | R19 | F17-R19 PolarHBondContact O-N 3.31Š|
| 18 | G | 42.3 | Very low | 59.7 | Low | 51 Ų | 51 | 89.2 Ų | 89.2 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | trans | -52.5 | 128.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q16 N20 | Q16-G18 PolarHBondContact O-N 2.78Å; G18-N20 PolarHBondContact O-N 2.84Å | ||
| 19 | R | 44.2 | Very low | 61.5 | Low | 248 Ų | 248 | 86 Ų | 86 | 94% | 0.936 | 48% | 0.478 | S | S | * | . | trans | -54 | 92.1 | 131.8 | -88.7 | 175 | 155.7 | 134.6 | -6 | 105.5 | F17 | F17-R19 PolarHBondContact O-N 3.31Š| ||
| 20 | N | 46.2 | Very low | 63.2 | Low | 128 Ų | 128 | 84.5 Ų | 84.5 | 68% | 0.684 | 46% | 0.461 | S | S | * | . | trans | -45.7 | 132.9 | 153.2 | -76 | -39 | 0 | 0 | 0 | 105.1 | G18 V22 | G18-N20 PolarHBondContact O-N 2.84Å; N20-V22 PolarHBondContact O-N 3.06Å | ||
| 21 | P | 52.3 | Low | 64.4 | Low | 124 Ų | 124 | 86.8 Ų | 86.8 | 81% | 0.805 | 47% | 0.466 | S | S | * | . | trans | -60.7 | 92.2 | 164.4 | 25.6 | -28.6 | 0 | 0 | 0 | 104.4 | D23 | P21-D23 PolarHBondContact O-N 2.67Š| ||
| 22 | V | 56.7 | Low | 65.2 | Low | 79 Ų | 79 | 83.7 Ų | 83.7 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | trans | -55.3 | 118.9 | 171.9 | 179.9 | 0 | 0 | 0 | 0 | 103 | N20 A24 | N20-V22 PolarHBondContact O-N 3.06Å; V22-A24 VanDerWaalsContact C-N 3.27Å; V22-A24 WeakPolarHBondContact O-CA 3.45Å; V22-A24 WeakPolarHBondContact O-CB 3.32Å; V22-A24 PolarHBondContact O-N 3.44Å | ||
| 23 | D | 60.7 | Low | 66 | Low | 94 Ų | 94 | 83.7 Ų | 83.7 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | trans | -46.6 | 96.2 | 180 | -120.8 | -6.6 | 0 | 0 | 0 | 107.2 | P21 G25 W60 N62 | P21-D23 PolarHBondContact O-N 2.67Å; D23-G25 VanDerWaalsContact C-N 3.31Å; D23-G25 PolarHBondContact O-N 3.04Å; D23-W60 HydrophobicContact CB-CH2 4.1Å; D23-W60 HydrophobicContact CB-CZ2 4.08Å; D23-N62 PolarHBondContact OD1-ND2 2.64Å; D23-N62 PolarHBondContact OD2-ND2 3.15Å | ||
| 24 | A | 78.5 | Confident | 67.1 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | trans | -85.3 | 84.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 107 | V22 | V22-A24 VanDerWaalsContact C-N 3.27Å; V22-A24 WeakPolarHBondContact O-CA 3.45Å; V22-A24 WeakPolarHBondContact O-CB 3.32Å; V22-A24 PolarHBondContact O-N 3.44Å | ||
| 25 | G | 89.6 | Confident | 68.2 | Low | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.01 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -168.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D23 E44 V45 S61 | D23-G25 VanDerWaalsContact C-N 3.31Å; D23-G25 PolarHBondContact O-N 3.04Å; G25-E44 PolarHBondContact O-N 3.03Å; G25-V45 PolarHBondContact N-O 3.32Å; G25-V45 PolarHBondContact O-N 3.43Å; G25-S61 CarbonylContact C-O 3.45Å; G25-S61 WeakPolarHBondContact CA-O 3.49Å |
| 26 | M | 91.1 | Very high | 70 | Confident | 3 Ų | 3 | 83.8 Ų | 83.8 | 2% | 0.015 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.3 | 172 | -71.6 | -174.4 | -70.1 | 0 | 0 | 109.7 | W28 R43 W60 S61 T63 L65 V70 | M26-W28 HydrophobicContact CB-CZ2 4Å; M26-W28 HydrophobicContact CE-CH2 4.32Å; M26-W28 HydrophobicContact CE-CZ2 3.52Å; M26-W28 PolarHBondContact O-NE1 2.99Å; M26-W28 HydrophobicContact SD-CZ2 3.94Å; M26-R43 HydrophobicContact CG-CG 4.39Å; M26-W60 WeakPolarHBondContact O-CA 3.45Å; M26-S61 PolarHBondContact N-O 3.27Å; M26-S61 PolarHBondContact O-N 2.74Å; M26-T63 HydrophobicContact CE-CG2 4.44Å; M26-T63 WeakPolarHBondContact CE-O 3Å; M26-T63 VanDerWaalsContact CG-O 3.25Å; M26-T63 WeakPolarHBondContact CG-O 3.33Å; M26-L65 HydrophobicContact CE-CB 3.98Å; M26-L65 HydrophobicContact CE-CD1 4.1Å; M26-L65 HydrophobicContact CE-CG 4.1Å; M26-V70 HydrophobicContact CE-CG1 4.01Å; M26-V70 HydrophobicContact CE-CG2 4.39Å; M26-V70 HydrophobicContact SD-CG1 3.63Å; M26-V70 HydrophobicContact SD-CG2 3.98Å |
| 27 | C | 92.9 | Very high | 71.9 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.8 | 171.2 | -164.7 | 0 | 0 | 0 | 0 | 109.4 | L41 M42 V45 C50 A59 | C27-L41 HydrophobicContact CB-CB 4.49Å; C27-L41 PolarHBondContact O-N 2.04Å; C27-M42 HydrophobicContact CB-CB 3.88Å; C27-M42 HydrophobicContact CB-CE 4.02Å; C27-M42 PolarHBondContact N-O 2.87Å; C27-M42 PolarHBondContact O-N 3.13Å; C27-V45 HydrophobicContact CB-CG2 3.84Å; C27-C50 WeakPolarHBondContact CA-SG 3.41Å; C27-C50 HydrophobicContact CB-CB 3.63Å; C27-C50 WeakPolarHBondContact CB-SG 3.09Å; C27-C50 VanDerWaalsContact SG-CA 3.53Å; C27-C50 WeakPolarHBondContact SG-CB 3.26Å; C27-C50 CovalentContact SG-SG 2.04Å; C27-C50 PolarHBondContact SG-SG 2.84Å; C27-A59 CarbonylContact C-O 3.58Å |
| 28 | W | 92.2 | Very high | 73.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.8 | -168.3 | -60.3 | 90.2 | 0 | 0 | 0 | 111.4 | M26 C37 M39 V40 T58 A59 S61 V70 V79 | M26-W28 HydrophobicContact CB-CZ2 4Å; M26-W28 HydrophobicContact CE-CH2 4.32Å; M26-W28 HydrophobicContact CE-CZ2 3.52Å; M26-W28 PolarHBondContact O-NE1 2.99Å; M26-W28 HydrophobicContact SD-CZ2 3.94Å; W28-C37 HydrophobicContact CB-CB 3.74Å; W28-C37 WeakPolarHBondContact CB-SG 3.37Å; W28-C37 HydrophobicContact CD2-CB 3.73Å; W28-C37 HydrophobicContact CE3-CB 3.86Å; W28-C37 HydrophobicContact CG-CB 3.68Å; W28-M39 CarbonylContact C-O 3.45Å; W28-M39 VanDerWaalsContact CA-O 3.3Å; W28-M39 WeakPolarHBondContact CA-O 3.33Å; W28-V40 HydrophobicContact CD2-CG2 4.39Å; W28-V40 HydrophobicContact CE3-CG2 3.78Å; W28-V40 HydrophobicContact CH2-CG2 3.71Å; W28-V40 HydrophobicContact CZ2-CG2 4.25Å; W28-V40 HydrophobicContact CZ3-CG2 3.42Å; W28-V40 VanDerWaalsContact CZ3-CG2 3.42Å; W28-T58 WeakPolarHBondContact O-CA 3.41Å; W28-A59 PolarHBondContact N-O 3.07Å; W28-A59 PolarHBondContact O-N 2.9Å; W28-S61 PolarHBondContact NE1-OG 3.46Å; W28-V70 HydrophobicContact CH2-CG1 3.19Å; W28-V70 HydrophobicContact CZ2-CG1 3.85Å; W28-V70 HydrophobicContact CZ3-CG1 3.94Å; W28-V79 HydrophobicContact CH2-CB 4.27Å; W28-V79 HydrophobicContact CH2-CG1 3.96Å; W28-V79 HydrophobicContact CH2-CG2 3.79Å; W28-V79 HydrophobicContact CZ2-CB 4.34Å; W28-V79 HydrophobicContact CZ2-CG1 3.54Å; W28-V79 HydrophobicContact CZ2-CG2 4.17Å |
| 29 | L | 91 | Very high | 75.9 | Confident | 38 Ų | 38 | 72.3 Ų | 72.3 | 20% | 0.199 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.5 | 162.3 | -168.8 | 72.1 | 0 | 0 | 0 | 108.8 | D38 M39 L41 D57 | L29-D38 PolarHBondContact O-N 2.94Å; L29-D38 VanDerWaalsContact O-N 3.16Å; L29-M39 HydrophobicContact CB-CB 4.17Å; L29-M39 HydrophobicContact CD2-SD 4.45Å; L29-M39 PolarHBondContact N-O 2.69Å; L29-M39 PolarHBondContact O-N 2.89Å; L29-L41 HydrophobicContact CB-CD1 4.12Å; L29-L41 HydrophobicContact CB-CD2 4.09Å; L29-L41 HydrophobicContact CB-CG 4.01Å; L29-L41 HydrophobicContact CD1-CD1 4.32Å; L29-D57 CarbonylContact C-O 3.58Å; L29-D57 WeakPolarHBondContact CA-O 3.4Å; L29-D57 HydrophobicContact CD1-CB 3.81Å; L29-D57 WeakPolarHBondContact CD1-OD2 3.39Å |
| 30 | Q | 89.1 | Confident | 78 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.4 | 172.4 | -67.6 | -173.4 | -40.7 | 0 | 0 | 110.2 | H35 R36 D57 A59 | Q30-H35 HydrophobicContact CB-CB 4.33Å; Q30-H35 PolarHBondContact NE2-O 3.4Å; Q30-H35 VanDerWaalsContact NE2-O 3.07Å; Q30-R36 WeakPolarHBondContact CA-O 3.47Å; Q30-D57 PolarHBondContact N-O 2.98Å; Q30-A59 HydrophobicContact CG-CB 3.65Å |
| 31 | H | 80.1 | Confident | 80.1 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.4 | 176.7 | -163.1 | 102.7 | 0 | 0 | 0 | 111.4 | R36 D38 | H31-R36 PolarHBondContact N-O 3.29Å; H31-D38 HydrophobicContact CB-CB 4.14Å |
| 32 | G | 70.8 | Confident | 81.9 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D34 H35 | G32-D34 VanDerWaalsContact C-N 3.26Å; G32-D34 PolarHBondContact O-N 3.26Å; G32-H35 PolarHBondContact O-N 3.18Å |
| 33 | P | 68.4 | Low | 83.5 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 75% | 0.747 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.6 | -174.9 | 27.5 | -34.9 | 0 | 0 | 0 | 113.4 | H35 | P33-H35 VanDerWaalsContact C-N 3.34Å; P33-H35 PolarHBondContact O-CD2 3.27Å |
| 34 | D | 72.9 | Confident | 84.8 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.7 | 179.5 | -59.1 | -40.3 | 0 | 0 | 0 | 112.5 | G32 R36 | G32-D34 VanDerWaalsContact C-N 3.26Å; G32-D34 PolarHBondContact O-N 3.26Å; D34-R36 VanDerWaalsContact C-N 3.25Å; D34-R36 HydrophobicContact CB-CG 3.88Å; D34-R36 PolarHBondContact O-N 2.85Å |
| 35 | H | 73.4 | Confident | 85.5 | Confident | 58 Ų | 58 | 60 Ų | 60 | 27% | 0.269 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.6 | 179 | -58.7 | -94.4 | 0 | 0 | 0 | 113.1 | Q30 G32 P33 R105 | Q30-H35 HydrophobicContact CB-CB 4.33Å; Q30-H35 PolarHBondContact NE2-O 3.4Å; Q30-H35 VanDerWaalsContact NE2-O 3.07Å; G32-H35 PolarHBondContact O-N 3.18Å; P33-H35 VanDerWaalsContact C-N 3.34Å; P33-H35 PolarHBondContact O-CD2 3.27Å; H35-R105 PolarHBondContact CD2-NH1 3.01Å |
| 36 | R | 85.1 | Confident | 85.6 | Confident | 118 Ų | 118 | 60.2 Ų | 60.2 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142 | 177.9 | -57.8 | -177.5 | -55.3 | 177 | 3.9 | 109 | Q30 H31 D34 D38 | Q30-R36 WeakPolarHBondContact CA-O 3.47Å; H31-R36 PolarHBondContact N-O 3.29Å; D34-R36 VanDerWaalsContact C-N 3.25Å; D34-R36 HydrophobicContact CB-CG 3.88Å; D34-R36 PolarHBondContact O-N 2.85Å; R36-D38 PolarHBondContact O-N 3.08Å |
| 37 | C | 88.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 98 | 173 | -82.8 | 0 | 0 | 0 | 0 | 109.6 | W28 A59 G74 V79 C81 | W28-C37 HydrophobicContact CB-CB 3.74Å; W28-C37 WeakPolarHBondContact CB-SG 3.37Å; W28-C37 HydrophobicContact CD2-CB 3.73Å; W28-C37 HydrophobicContact CE3-CB 3.86Å; W28-C37 HydrophobicContact CG-CB 3.68Å; C37-A59 VanDerWaalsContact SG-CB 3.56Å; C37-G74 WeakPolarHBondContact O-CA 3.47Å; C37-V79 HydrophobicContact CB-CG1 4.42Å; C37-C81 HydrophobicContact CB-CB 3.87Å; C37-C81 WeakPolarHBondContact CB-SG 3.42Å; C37-C81 WeakPolarHBondContact SG-CB 3.04Å; C37-C81 CovalentContact SG-SG 1.99Å; C37-C81 PolarHBondContact SG-SG 3.01Å |
| 38 | D | 83.6 | Confident | 85.7 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 24% | 0.235 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -50.4 | -166.7 | -170.6 | 27.4 | 0 | 0 | 0 | 110.6 | L29 H31 R36 | L29-D38 PolarHBondContact O-N 2.94Å; L29-D38 VanDerWaalsContact O-N 3.16Å; H31-D38 HydrophobicContact CB-CB 4.14Å; R36-D38 PolarHBondContact O-N 3.08Å |
| 39 | M | 86.4 | Confident | 85.7 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.6 | -174.1 | -178.5 | -177.3 | -62.4 | 0 | 0 | 111.6 | W28 L29 | W28-M39 CarbonylContact C-O 3.45Å; W28-M39 VanDerWaalsContact CA-O 3.3Å; W28-M39 WeakPolarHBondContact CA-O 3.33Å; L29-M39 HydrophobicContact CB-CB 4.17Å; L29-M39 HydrophobicContact CD2-SD 4.45Å; L29-M39 PolarHBondContact N-O 2.69Å; L29-M39 PolarHBondContact O-N 2.89Å |
| 40 | V | 89.3 | Confident | 85.8 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 26% | 0.261 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 126.1 | 173.7 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | W28 R43 V70 | W28-V40 HydrophobicContact CD2-CG2 4.39Å; W28-V40 HydrophobicContact CE3-CG2 3.78Å; W28-V40 HydrophobicContact CH2-CG2 3.71Å; W28-V40 HydrophobicContact CZ2-CG2 4.25Å; W28-V40 HydrophobicContact CZ3-CG2 3.42Å; W28-V40 VanDerWaalsContact CZ3-CG2 3.42Å; V40-R43 HydrophobicContact CG1-CG 3.62Å; V40-V70 HydrophobicContact CG2-CB 4.43Å; V40-V70 HydrophobicContact CG2-CG1 3.33Å |
| 41 | L | 90.5 | Very high | 86 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -46.2 | 174.3 | -67.1 | 175.5 | 0 | 0 | 0 | 111.7 | C27 L29 T58 | C27-L41 HydrophobicContact CB-CB 4.49Å; C27-L41 PolarHBondContact O-N 2.04Å; L29-L41 HydrophobicContact CB-CD1 4.12Å; L29-L41 HydrophobicContact CB-CD2 4.09Å; L29-L41 HydrophobicContact CB-CG 4.01Å; L29-L41 HydrophobicContact CD1-CD1 4.32Å; L41-T58 HydrophobicContact CD1-CG2 3.98Å |
| 42 | M | 89.8 | Confident | 86.5 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 39% | 0.394 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 152.9 | -176.5 | -59.4 | -178.9 | -72.2 | 0 | 0 | 109.7 | C27 V45 | C27-M42 HydrophobicContact CB-CB 3.88Å; C27-M42 HydrophobicContact CB-CE 4.02Å; C27-M42 PolarHBondContact N-O 2.87Å; C27-M42 PolarHBondContact O-N 3.13Å; M42-V45 HydrophobicContact CB-CG1 3.9Å; M42-V45 HydrophobicContact CB-CG2 3.82Å |
| 43 | R | 89.9 | Confident | 87.1 | Confident | 93 Ų | 93 | 75 Ų | 75 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 154.6 | -179.4 | -61.3 | 177 | 73.8 | -152.3 | 2.8 | 109.2 | M26 V40 V45 L65 L67 | M26-R43 HydrophobicContact CG-CG 4.39Å; V40-R43 HydrophobicContact CG1-CG 3.62Å; R43-V45 PolarHBondContact O-N 2.96Å; R43-L65 PolarHBondContact NH2-O 3.42Å; R43-L67 VanDerWaalsContact NH1-CG 3.28Å |
| 44 | E | 89 | Confident | 87.8 | Confident | 161 Ų | 161 | 69.7 Ų | 69.7 | 75% | 0.752 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 58.5 | 36.2 | -179.7 | -55.5 | 177.5 | 177 | 0 | 0 | 111.5 | G25 | G25-E44 PolarHBondContact O-N 3.03Å |
| 45 | V | 91.8 | Very high | 88.5 | Confident | 18 Ų | 18 | 70 Ų | 70 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.5 | -178.3 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | G25 C27 M42 R43 E49 C50 W60 | G25-V45 PolarHBondContact N-O 3.32Å; G25-V45 PolarHBondContact O-N 3.43Å; C27-V45 HydrophobicContact CB-CG2 3.84Å; M42-V45 HydrophobicContact CB-CG1 3.9Å; M42-V45 HydrophobicContact CB-CG2 3.82Å; R43-V45 PolarHBondContact O-N 2.96Å; V45-E49 WeakPolarHBondContact CA-OE2 3.44Å; V45-E49 HydrophobicContact CB-CB 4.22Å; V45-E49 WeakPolarHBondContact CB-OE2 3.1Å; V45-C50 HydrophobicContact CG2-CB 4.46Å; V45-W60 PolarHBondContact O-NE1 3.02Å |
| 46 | S | 92.9 | Very high | 89.4 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | trans | -68.6 | 166.1 | 172.8 | 103.9 | 0 | 0 | 0 | 0 | 111.6 | E48 E49 C50 | S46-E48 VanDerWaalsContact C-N 3.31Å; S46-E48 WeakPolarHBondContact CB-OE2 2.98Å; S46-E48 WeakPolarHBondContact OG-CB 3.34Å; S46-E48 PolarHBondContact OG-N 3.27Å; S46-E48 PolarHBondContact OG-OE2 2.91Å; S46-E49 PolarHBondContact N-OE2 3.46Å; S46-E49 PolarHBondContact OG-N 3.38Å; S46-C50 WeakPolarHBondContact O-CB 3.42Å; S46-C50 PolarHBondContact O-N 3.12Å | ||
| 47 | R | 92.4 | Very high | 89.7 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 171.2 | -178.7 | 175.7 | 175 | 76.3 | 3.1 | 111 | C50 C51 W60 K82 P83 | R47-C50 PolarHBondContact O-N 3.06Å; R47-C51 VanDerWaalsContact O-CB 3.26Å; R47-C51 WeakPolarHBondContact O-CB 3.38Å; R47-C51 PolarHBondContact O-N 3.49Å; R47-C51 PolarHBondContact O-SG 2.89Å; R47-W60 HydrophobicContact CB-CD2 3.84Å; R47-W60 HydrophobicContact CB-CE3 4.19Å; R47-W60 HydrophobicContact CB-CG 4.02Å; R47-W60 HydrophobicContact CG-CB 4.29Å; R47-W60 HydrophobicContact CG-CD2 4.29Å; R47-W60 HydrophobicContact CG-CE3 4.45Å; R47-W60 HydrophobicContact CG-CG 4.23Å; R47-K82 PolarHBondContact NH1-O 3.01Å; R47-P83 PolarHBondContact NH2-O 3.01Å |
| 48 | E | 92.4 | Very high | 89.9 | Confident | 138 Ų | 138 | 66.3 Ų | 66.3 | 65% | 0.645 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61 | -48.2 | 179.3 | -59.6 | 68.8 | -148.8 | 0 | 0 | 110.5 | S46 C50 C51 D52 | S46-E48 VanDerWaalsContact C-N 3.31Å; S46-E48 WeakPolarHBondContact CB-OE2 2.98Å; S46-E48 WeakPolarHBondContact OG-CB 3.34Å; S46-E48 PolarHBondContact OG-N 3.27Å; S46-E48 PolarHBondContact OG-OE2 2.91Å; E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.33Å; E48-C51 PolarHBondContact O-N 2.95Å; E48-C51 VanDerWaalsContact O-N 3.15Å; E48-D52 PolarHBondContact O-N 3.39Å; E48-D52 VanDerWaalsContact O-N 3.08Å |
| 49 | E | 93.6 | Very high | 90.3 | Very high | 109 Ų | 109 | 64.2 Ų | 64.2 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.4 | -68.8 | 172.7 | 168.7 | 0 | 0 | 111.8 | V45 S46 C51 | V45-E49 WeakPolarHBondContact CA-OE2 3.44Å; V45-E49 HydrophobicContact CB-CB 4.22Å; V45-E49 WeakPolarHBondContact CB-OE2 3.1Å; S46-E49 PolarHBondContact N-OE2 3.46Å; S46-E49 PolarHBondContact OG-N 3.38Å; E49-C51 VanDerWaalsContact C-N 3.31Å; E49-C51 PolarHBondContact O-N 3.12Å |
| 50 | C | 93.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 113 | C27 V45 S46 R47 E48 A59 W60 | C27-C50 WeakPolarHBondContact CA-SG 3.41Å; C27-C50 HydrophobicContact CB-CB 3.63Å; C27-C50 WeakPolarHBondContact CB-SG 3.09Å; C27-C50 VanDerWaalsContact SG-CA 3.53Å; C27-C50 WeakPolarHBondContact SG-CB 3.26Å; C27-C50 CovalentContact SG-SG 2.04Å; C27-C50 PolarHBondContact SG-SG 2.84Å; V45-C50 HydrophobicContact CG2-CB 4.46Å; S46-C50 WeakPolarHBondContact O-CB 3.42Å; S46-C50 PolarHBondContact O-N 3.12Å; R47-C50 PolarHBondContact O-N 3.06Å; E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.33Å; C50-A59 PolarHBondContact SG-O 2.79Å; C50-A59 VanDerWaalsContact SG-O 3.39Å; C50-W60 HydrophobicContact CB-CB 4.36Å; C50-W60 HydrophobicContact CB-CG 4.41Å |
| 51 | C | 92.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -102.6 | 3.1 | -168.6 | -59 | 0 | 0 | 0 | 0 | 115.2 | R47 E48 E49 G53 C84 | R47-C51 VanDerWaalsContact O-CB 3.26Å; R47-C51 WeakPolarHBondContact O-CB 3.38Å; R47-C51 PolarHBondContact O-N 3.49Å; R47-C51 PolarHBondContact O-SG 2.89Å; E48-C51 PolarHBondContact O-N 2.95Å; E48-C51 VanDerWaalsContact O-N 3.15Å; E49-C51 VanDerWaalsContact C-N 3.31Å; E49-C51 PolarHBondContact O-N 3.12Å; C51-G53 VanDerWaalsContact C-N 3.27Å; C51-G53 PolarHBondContact O-N 2.76Å; C51-C84 WeakPolarHBondContact CA-SG 3.12Å; C51-C84 HydrophobicContact CB-CB 3.58Å; C51-C84 WeakPolarHBondContact CB-SG 3.01Å; C51-C84 WeakPolarHBondContact SG-CA 3.39Å; C51-C84 WeakPolarHBondContact SG-CB 3.37Å; C51-C84 CovalentContact SG-SG 2.04Å; C51-C84 PolarHBondContact SG-SG 2.87Å |
| 52 | D | 90.6 | Very high | 90.8 | Very high | 142 Ų | 142 | 59.1 Ų | 59.1 | 76% | 0.759 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.6 | -176.7 | -168.9 | 45.5 | 0 | 0 | 0 | 113.4 | E48 G54 | E48-D52 PolarHBondContact O-N 3.39Å; E48-D52 VanDerWaalsContact O-N 3.08Å; D52-G54 VanDerWaalsContact C-N 3.35Å; D52-G54 PolarHBondContact O-N 2.04Å |
| 53 | G | 83.3 | Confident | 90.3 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | C51 R55 | C51-G53 VanDerWaalsContact C-N 3.27Å; C51-G53 PolarHBondContact O-N 2.76Å; G53-R55 PolarHBondContact O-N 2.94Å |
| 54 | G | 83.3 | Confident | 89.7 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | trans | 62.9 | 21.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D52 K92 | D52-G54 VanDerWaalsContact C-N 3.35Å; D52-G54 PolarHBondContact O-N 2.04Å; G54-K92 PolarHBondContact O-N 3.38Å; G54-K92 VanDerWaalsContact O-N 3.12Å | ||
| 55 | R | 88.6 | Confident | 88.9 | Confident | 125 Ų | 125 | 52.4 Ų | 52.4 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | trans | -84.4 | 133.9 | -178 | -74.3 | -176.1 | 69 | 152.6 | 2.6 | 111.7 | G53 D57 T58 | G53-R55 PolarHBondContact O-N 2.94Å; R55-D57 WeakPolarHBondContact CB-OD1 3.38Å; R55-D57 IonicContact CZ-OD1 3.86Å; R55-D57 IonicContact CZ-OD2 3.56Å; R55-D57 IonicContact NE-OD1 3.06Å; R55-D57 PolarHBondContact NE-OD1 2.85Å; R55-D57 IonicContact NE-OD2 3.8Å; R55-D57 IonicContact NH2-OD1 3.84Å; R55-D57 IonicContact NH2-OD2 2.89Å; R55-D57 PolarHBondContact NH2-OD2 3.35Å; R55-T58 HydrophobicContact CB-CG2 3.66Å; R55-T58 PolarHBondContact O-OG1 2.85Å | ||
| 56 | L | 90.8 | Very high | 88 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.199 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -24.5 | -179.3 | -70 | -178.7 | 0 | 0 | 0 | 114.3 | T58 R85 V91 P106 C108 | L56-T58 PolarHBondContact O-N 2.78Å; L56-R85 HydrophobicContact CD2-CB 4Å; L56-V91 HydrophobicContact CD1-CG1 3.9Å; L56-V91 HydrophobicContact CD2-CB 4.22Å; L56-V91 HydrophobicContact CD2-CG1 3.61Å; L56-V91 HydrophobicContact CD2-CG2 3.49Å; L56-V91 VanDerWaalsContact CD2-CG2 3.49Å; L56-V91 HydrophobicContact CG-CG1 3.57Å; L56-V91 HydrophobicContact CG-CG2 4.38Å; L56-P106 HydrophobicContact CD2-CB 3.74Å; L56-P106 HydrophobicContact CD2-CG 3.74Å; L56-C108 HydrophobicContact CD1-CB 4.13Å; L56-C108 VanDerWaalsContact CD1-N 3.3Å; L56-C108 WeakPolarHBondContact CD1-SG 3.4Å |
| 57 | D | 91 | Very high | 86.7 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 7.8 | -177.8 | 57.2 | -15.5 | 0 | 0 | 0 | 112.5 | L29 Q30 R55 | L29-D57 CarbonylContact C-O 3.58Å; L29-D57 WeakPolarHBondContact CA-O 3.4Å; L29-D57 HydrophobicContact CD1-CB 3.81Å; L29-D57 WeakPolarHBondContact CD1-OD2 3.39Å; Q30-D57 PolarHBondContact N-O 2.98Å; R55-D57 WeakPolarHBondContact CB-OD1 3.38Å; R55-D57 IonicContact CZ-OD1 3.86Å; R55-D57 IonicContact CZ-OD2 3.56Å; R55-D57 IonicContact NE-OD1 3.06Å; R55-D57 PolarHBondContact NE-OD1 2.85Å; R55-D57 IonicContact NE-OD2 3.8Å; R55-D57 IonicContact NH2-OD1 3.84Å; R55-D57 IonicContact NH2-OD2 2.89Å; R55-D57 PolarHBondContact NH2-OD2 3.35Å |
| 58 | T | 92.8 | Very high | 85.7 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140 | -177.6 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | W28 L41 R55 L56 C84 | W28-T58 WeakPolarHBondContact O-CA 3.41Å; L41-T58 HydrophobicContact CD1-CG2 3.98Å; R55-T58 HydrophobicContact CB-CG2 3.66Å; R55-T58 PolarHBondContact O-OG1 2.85Å; L56-T58 PolarHBondContact O-N 2.78Å; T58-C84 WeakPolarHBondContact O-CB 3.45Å; T58-C84 PolarHBondContact O-N 3.07Å; T58-C84 WeakPolarHBondContact OG1-CB 3.35Å; T58-C84 PolarHBondContact OG1-SG 3.28Å |
| 59 | A | 93.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 158.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | C27 W28 Q30 C37 C50 C81 K82 | C27-A59 CarbonylContact C-O 3.58Å; W28-A59 PolarHBondContact N-O 3.07Å; W28-A59 PolarHBondContact O-N 2.9Å; Q30-A59 HydrophobicContact CG-CB 3.65Å; C37-A59 VanDerWaalsContact SG-CB 3.56Å; C50-A59 PolarHBondContact SG-O 2.79Å; C50-A59 VanDerWaalsContact SG-O 3.39Å; A59-C81 HydrophobicContact CB-CB 4.22Å; A59-K82 CarbonylContact C-O 3.53Å; A59-K82 WeakPolarHBondContact CA-O 3.06Å; A59-K82 WeakPolarHBondContact CB-O 3.46Å |
| 60 | W | 94 | Very high | 84.1 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.7 | -176.6 | -177.1 | 89.8 | 0 | 0 | 0 | 111.2 | D23 M26 V45 R47 C50 N62 K82 | D23-W60 HydrophobicContact CB-CH2 4.1Å; D23-W60 HydrophobicContact CB-CZ2 4.08Å; M26-W60 WeakPolarHBondContact O-CA 3.45Å; V45-W60 PolarHBondContact O-NE1 3.02Å; R47-W60 HydrophobicContact CB-CD2 3.84Å; R47-W60 HydrophobicContact CB-CE3 4.19Å; R47-W60 HydrophobicContact CB-CG 4.02Å; R47-W60 HydrophobicContact CG-CB 4.29Å; R47-W60 HydrophobicContact CG-CD2 4.29Å; R47-W60 HydrophobicContact CG-CE3 4.45Å; R47-W60 HydrophobicContact CG-CG 4.23Å; C50-W60 HydrophobicContact CB-CB 4.36Å; C50-W60 HydrophobicContact CB-CG 4.41Å; W60-N62 HydrophobicContact CH2-CB 3.38Å; W60-N62 HydrophobicContact CZ2-CB 4.2Å; W60-N62 HydrophobicContact CZ3-CB 3.73Å; W60-K82 PolarHBondContact N-O 3.48Å; W60-K82 PolarHBondContact O-N 3.44Å |
| 61 | S | 92 | Very high | 83 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.1 | 170.2 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | G25 M26 W28 T63 S80 | G25-S61 CarbonylContact C-O 3.45Å; G25-S61 WeakPolarHBondContact CA-O 3.49Å; M26-S61 PolarHBondContact N-O 3.27Å; M26-S61 PolarHBondContact O-N 2.74Å; W28-S61 PolarHBondContact NE1-OG 3.46Å; S61-T63 PolarHBondContact O-N 2.88Å; S61-T63 VanDerWaalsContact O-N 3.07Å; S61-S80 WeakPolarHBondContact CB-O 3.2Å |
| 62 | N | 89.4 | Confident | 82.1 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83.7 | 41.3 | 175.1 | -162.3 | -0.3 | 0 | 0 | 0 | 112 | D23 W60 | D23-N62 PolarHBondContact OD1-ND2 2.64Å; D23-N62 PolarHBondContact OD2-ND2 3.15Å; W60-N62 HydrophobicContact CH2-CB 3.38Å; W60-N62 HydrophobicContact CZ2-CB 4.2Å; W60-N62 HydrophobicContact CZ3-CB 3.73Å |
| 63 | T | 80.1 | Confident | 81.3 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | trans | -115.2 | 135.5 | -178.4 | -36.7 | 0 | 0 | 0 | 0 | 109 | M26 S61 L65 | M26-T63 HydrophobicContact CE-CG2 4.44Å; M26-T63 WeakPolarHBondContact CE-O 3Å; M26-T63 VanDerWaalsContact CG-O 3.25Å; M26-T63 WeakPolarHBondContact CG-O 3.33Å; S61-T63 PolarHBondContact O-N 2.88Å; S61-T63 VanDerWaalsContact O-N 3.07Å; T63-L65 HydrophobicContact CG2-CD1 3.96Å; T63-L65 HydrophobicContact CG2-CD2 4.06Å; T63-L65 HydrophobicContact CG2-CG 3.6Å | ||
| 64 | S | 77 | Confident | 80.8 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | trans | -113.4 | 94.5 | 171.8 | 58 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 65 | L | 72.1 | Confident | 80.1 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | trans | -108.2 | 150.4 | 179.8 | -66.9 | 169.7 | 0 | 0 | 0 | 110.6 | M26 R43 T63 V70 L73 | M26-L65 HydrophobicContact CE-CB 3.98Å; M26-L65 HydrophobicContact CE-CD1 4.1Å; M26-L65 HydrophobicContact CE-CG 4.1Å; R43-L65 PolarHBondContact NH2-O 3.42Å; T63-L65 HydrophobicContact CG2-CD1 3.96Å; T63-L65 HydrophobicContact CG2-CD2 4.06Å; T63-L65 HydrophobicContact CG2-CG 3.6Å; L65-V70 VanDerWaalsContact C-CG2 3.41Å; L65-V70 HydrophobicContact CB-CB 4.37Å; L65-V70 HydrophobicContact CB-CG2 3.29Å; L65-V70 WeakPolarHBondContact O-CG2 3.42Å; L65-L73 HydrophobicContact CD1-CD1 3.76Å | ||
| 66 | P | 72.7 | Confident | 79.6 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | trans | -68.1 | 141.4 | 172 | 26.7 | -30.9 | 0 | 0 | 0 | 111 | N68 E69 V70 | P66-N68 PolarHBondContact O-N 3.46Å; P66-E69 HydrophobicContact CG-CB 4.29Å; P66-E69 HydrophobicContact CG-CG 4.23Å; P66-E69 WeakPolarHBondContact CG-OE2 3.47Å; P66-E69 PolarHBondContact O-N 2.89Å; P66-V70 WeakPolarHBondContact O-CG2 3.01Å; P66-V70 PolarHBondContact O-N 2.91Å; P66-V70 VanDerWaalsContact O-N 3.07Å | ||
| 67 | L | 66.8 | Low | 78.6 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -45.7 | -39.6 | -171.2 | -81.4 | 150.4 | 0 | 0 | 0 | 114.7 | R43 E69 V70 S71 | R43-L67 VanDerWaalsContact NH1-CG 3.28Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 3.38Å; L67-V70 PolarHBondContact O-N 3.06Å; L67-S71 PolarHBondContact O-N 3.25Å; L67-S71 PolarHBondContact O-OG 3.46Å |
| 68 | N | 70.7 | Confident | 78.1 | Confident | 142 Ų | 142 | 63.1 Ų | 63.1 | 76% | 0.759 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | -175.3 | -38 | 5.9 | 0 | 0 | 0 | 111.2 | P66 | P66-N68 PolarHBondContact O-N 3.46Å |
| 69 | E | 74.6 | Confident | 77.6 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -84.8 | -37.9 | 177 | -72.6 | -174.8 | 153.7 | 0 | 0 | 111.7 | P66 L67 S71 L72 L73 | P66-E69 HydrophobicContact CG-CB 4.29Å; P66-E69 HydrophobicContact CG-CG 4.23Å; P66-E69 WeakPolarHBondContact CG-OE2 3.47Å; P66-E69 PolarHBondContact O-N 2.89Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 3.38Å; E69-S71 VanDerWaalsContact C-N 3.29Å; E69-S71 PolarHBondContact O-N 2.87Å; E69-L72 PolarHBondContact O-N 3.45Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.05Å; E69-L73 PolarHBondContact O-N 2.95Å |
| 70 | V | 76.8 | Confident | 77.2 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.7 | -43.1 | -175.7 | -168 | 0 | 0 | 0 | 0 | 111.2 | M26 W28 V40 L65 P66 L67 G74 | M26-V70 HydrophobicContact CE-CG1 4.01Å; M26-V70 HydrophobicContact CE-CG2 4.39Å; M26-V70 HydrophobicContact SD-CG1 3.63Å; M26-V70 HydrophobicContact SD-CG2 3.98Å; W28-V70 HydrophobicContact CH2-CG1 3.19Å; W28-V70 HydrophobicContact CZ2-CG1 3.85Å; W28-V70 HydrophobicContact CZ3-CG1 3.94Å; V40-V70 HydrophobicContact CG2-CB 4.43Å; V40-V70 HydrophobicContact CG2-CG1 3.33Å; L65-V70 VanDerWaalsContact C-CG2 3.41Å; L65-V70 HydrophobicContact CB-CB 4.37Å; L65-V70 HydrophobicContact CB-CG2 3.29Å; L65-V70 WeakPolarHBondContact O-CG2 3.42Å; P66-V70 WeakPolarHBondContact O-CG2 3.01Å; P66-V70 PolarHBondContact O-N 2.91Å; P66-V70 VanDerWaalsContact O-N 3.07Å; L67-V70 PolarHBondContact O-N 3.06Å; V70-G74 PolarHBondContact O-N 2.03Å |
| 71 | S | 70.6 | Confident | 77 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | -178.9 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | L67 E69 G74 F75 | L67-S71 PolarHBondContact O-N 3.25Å; L67-S71 PolarHBondContact O-OG 3.46Å; E69-S71 VanDerWaalsContact C-N 3.29Å; E69-S71 PolarHBondContact O-N 2.87Å; S71-G74 PolarHBondContact O-N 2.04Å; S71-F75 WeakPolarHBondContact O-CD2 3.25Å; S71-F75 PolarHBondContact O-N 3.16Å; S71-F75 VanDerWaalsContact O-N 3.15Å |
| 72 | L | 73.6 | Confident | 77 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 179.7 | -174.2 | 68.5 | 0 | 0 | 0 | 112.1 | E69 G74 F75 L76 | E69-L72 PolarHBondContact O-N 3.45Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-G74 PolarHBondContact O-N 3.07Å; L72-F75 PolarHBondContact O-N 2.76Å; L72-L76 HydrophobicContact CD1-CD1 4.34Å; L72-L76 HydrophobicContact CG-CD1 3.99Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 1.99Å |
| 73 | L | 74.1 | Confident | 77.1 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.1 | -32.2 | -179.6 | -65.8 | 177.5 | 0 | 0 | 0 | 112.7 | L65 E69 G77 I78 V79 | L65-L73 HydrophobicContact CD1-CD1 3.76Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.05Å; E69-L73 PolarHBondContact O-N 2.95Å; L73-G77 PolarHBondContact O-N 3.45Å; L73-G77 VanDerWaalsContact O-N 3.13Å; L73-I78 HydrophobicContact CD2-CB 4.17Å; L73-I78 HydrophobicContact CD2-CD1 3.78Å; L73-I78 HydrophobicContact CD2-CG2 4.2Å; L73-I78 PolarHBondContact O-N 2.85Å; L73-V79 HydrophobicContact CB-CG2 3.83Å |
| 74 | G | 71.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.4 | -52 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C37 V70 S71 L72 L76 G77 | C37-G74 WeakPolarHBondContact O-CA 3.47Å; V70-G74 PolarHBondContact O-N 2.03Å; S71-G74 PolarHBondContact O-N 2.04Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-G74 PolarHBondContact O-N 3.07Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.78Å; G74-G77 PolarHBondContact O-N 3.49Å |
| 75 | F | 70.4 | Confident | 78.4 | Confident | 141 Ų | 141 | 70.8 Ų | 70.8 | 62% | 0.618 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.9 | -39.1 | 176.5 | -79.2 | -61.7 | 0 | 0 | 0 | 113.4 | S71 L72 G77 | S71-F75 WeakPolarHBondContact O-CD2 3.25Å; S71-F75 PolarHBondContact O-N 3.16Å; S71-F75 VanDerWaalsContact O-N 3.15Å; L72-F75 PolarHBondContact O-N 2.76Å; F75-G77 PolarHBondContact O-N 3.22Å |
| 76 | L | 76.7 | Confident | 79.3 | Confident | 102 Ų | 102 | 75.1 Ų | 75.1 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -9.6 | 176.7 | -67.2 | 174.7 | 0 | 0 | 0 | 113 | L72 G74 I78 | L72-L76 HydrophobicContact CD1-CD1 4.34Å; L72-L76 HydrophobicContact CG-CD1 3.99Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 1.99Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.78Å; L76-I78 VanDerWaalsContact C-N 3.28Å; L76-I78 HydrophobicContact CB-CD1 3.69Å; L76-I78 HydrophobicContact CB-CG1 3.9Å; L76-I78 HydrophobicContact CD1-CD1 3.91Å; L76-I78 HydrophobicContact CG-CD1 4.47Å; L76-I78 PolarHBondContact O-N 2.93Å |
| 77 | G | 71.1 | Confident | 80.3 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 22 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L73 G74 F75 | L73-G77 PolarHBondContact O-N 3.45Å; L73-G77 VanDerWaalsContact O-N 3.13Å; G74-G77 PolarHBondContact O-N 3.49Å; F75-G77 PolarHBondContact O-N 3.22Å |
| 78 | I | 79.1 | Confident | 81.7 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | trans | -81.6 | -23.2 | -176.9 | -64.6 | 168.9 | 0 | 0 | 0 | 110.8 | L73 L76 S80 | L73-I78 HydrophobicContact CD2-CB 4.17Å; L73-I78 HydrophobicContact CD2-CD1 3.78Å; L73-I78 HydrophobicContact CD2-CG2 4.2Å; L73-I78 PolarHBondContact O-N 2.85Å; L76-I78 VanDerWaalsContact C-N 3.28Å; L76-I78 HydrophobicContact CB-CD1 3.69Å; L76-I78 HydrophobicContact CB-CG1 3.9Å; L76-I78 HydrophobicContact CD1-CD1 3.91Å; L76-I78 HydrophobicContact CG-CD1 4.47Å; L76-I78 PolarHBondContact O-N 2.93Å; I78-S80 PolarHBondContact O-N 2.96Å | ||
| 79 | V | 81.9 | Confident | 82.8 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 12% | 0.121 | 39% | 0.385 | C | S | . | . | trans | -71.1 | 116.2 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | W28 C37 L73 | W28-V79 HydrophobicContact CH2-CB 4.27Å; W28-V79 HydrophobicContact CH2-CG1 3.96Å; W28-V79 HydrophobicContact CH2-CG2 3.79Å; W28-V79 HydrophobicContact CZ2-CB 4.34Å; W28-V79 HydrophobicContact CZ2-CG1 3.54Å; W28-V79 HydrophobicContact CZ2-CG2 4.17Å; C37-V79 HydrophobicContact CB-CG1 4.42Å; L73-V79 HydrophobicContact CB-CG2 3.83Å | ||
| 80 | S | 86.1 | Confident | 83.5 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 74% | 0.741 | 38% | 0.384 | S | S | * | . | trans | -81.6 | 119.3 | 170.7 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | S61 I78 | S61-S80 WeakPolarHBondContact CB-O 3.2Å; I78-S80 PolarHBondContact O-N 2.96Å | ||
| 81 | C | 89.1 | Confident | 84.3 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 21% | 0.209 | 39% | 0.39 | C | S | . | . | trans | -136.2 | 155.5 | -178.8 | 61.8 | 0 | 0 | 0 | 0 | 111 | C37 A59 | C37-C81 HydrophobicContact CB-CB 3.87Å; C37-C81 WeakPolarHBondContact CB-SG 3.42Å; C37-C81 WeakPolarHBondContact SG-CB 3.04Å; C37-C81 CovalentContact SG-SG 1.99Å; C37-C81 PolarHBondContact SG-SG 3.01Å; A59-C81 HydrophobicContact CB-CB 4.22Å | ||
| 82 | K | 92.1 | Very high | 85.3 | Confident | 150 Ų | 150 | 74.6 Ų | 74.6 | 65% | 0.652 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.4 | 178.2 | -67.7 | -176 | -179.8 | 178.4 | 0 | 109.9 | R47 A59 W60 | R47-K82 PolarHBondContact NH1-O 3.01Å; A59-K82 CarbonylContact C-O 3.53Å; A59-K82 WeakPolarHBondContact CA-O 3.06Å; A59-K82 WeakPolarHBondContact CB-O 3.46Å; W60-K82 PolarHBondContact N-O 3.48Å; W60-K82 PolarHBondContact O-N 3.44Å |
| 83 | P | 92.6 | Very high | 86.2 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 34% | 0.344 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 148.7 | 176.2 | 26.9 | -34.3 | 0 | 0 | 0 | 110.6 | R47 R85 | R47-P83 PolarHBondContact NH2-O 3.01Å; P83-R85 VanDerWaalsContact C-N 3.3Å |
| 84 | C | 92.4 | Very high | 87 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 10% | 0.095 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -70.6 | -30.6 | 175.9 | -81.4 | 0 | 0 | 0 | 0 | 112.2 | C51 T58 | C51-C84 WeakPolarHBondContact CA-SG 3.12Å; C51-C84 HydrophobicContact CB-CB 3.58Å; C51-C84 WeakPolarHBondContact CB-SG 3.01Å; C51-C84 WeakPolarHBondContact SG-CA 3.39Å; C51-C84 WeakPolarHBondContact SG-CB 3.37Å; C51-C84 CovalentContact SG-SG 2.04Å; C51-C84 PolarHBondContact SG-SG 2.87Å; T58-C84 WeakPolarHBondContact O-CB 3.45Å; T58-C84 PolarHBondContact O-N 3.07Å; T58-C84 WeakPolarHBondContact OG1-CB 3.35Å; T58-C84 PolarHBondContact OG1-SG 3.28Å |
| 85 | R | 91.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 25% | 0.253 | 44% | 0.443 | S | S | . | . | trans | -128.3 | 126.9 | -178.4 | -60.2 | -68.8 | 173.9 | 172.6 | -9.7 | 110 | L56 P83 E89 V91 P106 | L56-R85 HydrophobicContact CD2-CB 4Å; P83-R85 VanDerWaalsContact C-N 3.3Å; R85-E89 PolarHBondContact NH1-O 3.35Å; R85-V91 HydrophobicContact CB-CG2 4.15Å; R85-V91 HydrophobicContact CG-CG2 4Å; R85-P106 HydrophobicContact CB-CG 4.48Å | ||
| 86 | D | 91.4 | Very high | 88.7 | Confident | 127 Ų | 127 | 74.2 Ų | 74.2 | 68% | 0.679 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -110 | -9.3 | 173.8 | 59.1 | -5.8 | 0 | 0 | 0 | 112.3 | M101 | D86-M101 WeakPolarHBondContact O-CE 3.2Š|
| 87 | S | 94 | Very high | 89.6 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -132.6 | 176.2 | 174.9 | 83.9 | 0 | 0 | 0 | 0 | 111.3 | E89 V91 P106 | S87-E89 PolarHBondContact O-N 2.94Å; S87-E89 WeakPolarHBondContact OG-CB 3.05Å; S87-E89 PolarHBondContact OG-N 3.3Å; S87-E89 VanDerWaalsContact OG-N 3.12Å; S87-V91 WeakPolarHBondContact O-CG2 2.91Å; S87-P106 WeakPolarHBondContact O-CB 3.33Å |
| 88 | C | 95.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 28% | 0.277 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -80.7 | 1 | 173.8 | -75.6 | 0 | 0 | 0 | 0 | 114 | G90 V91 C99 K100 | C88-G90 PolarHBondContact O-N 3.36Å; C88-V91 PolarHBondContact O-N 2.85Å; C88-C99 WeakPolarHBondContact CA-SG 3.34Å; C88-C99 HydrophobicContact CB-CB 3.67Å; C88-C99 WeakPolarHBondContact CB-SG 3.3Å; C88-C99 WeakPolarHBondContact SG-CB 2.99Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 3.3Å; C88-K100 PolarHBondContact SG-N 3.26Å |
| 89 | E | 93.8 | Very high | 91.5 | Very high | 154 Ų | 154 | 71 Ų | 71 | 72% | 0.72 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 125 | -179.3 | -169.6 | 174.6 | -179.6 | 0 | 0 | 111.2 | R85 S87 V91 | R85-E89 PolarHBondContact NH1-O 3.35Å; S87-E89 PolarHBondContact O-N 2.94Å; S87-E89 WeakPolarHBondContact OG-CB 3.05Å; S87-E89 PolarHBondContact OG-N 3.3Å; S87-E89 VanDerWaalsContact OG-N 3.12Å; E89-V91 PolarHBondContact O-N 2.99Å |
| 90 | G | 89.5 | Confident | 92.1 | Very high | 46 Ų | 46 | 75.3 Ų | 75.3 | 47% | 0.474 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 9.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | C88 | C88-G90 PolarHBondContact O-N 3.36Š|
| 91 | V | 93.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 75 Ų | 75 | 13% | 0.127 | 42% | 0.418 | C | S | . | . | trans | -78.8 | 130.3 | 178.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | L56 R85 S87 C88 E89 C99 | L56-V91 HydrophobicContact CD1-CG1 3.9Å; L56-V91 HydrophobicContact CD2-CB 4.22Å; L56-V91 HydrophobicContact CD2-CG1 3.61Å; L56-V91 HydrophobicContact CD2-CG2 3.49Å; L56-V91 VanDerWaalsContact CD2-CG2 3.49Å; L56-V91 HydrophobicContact CG-CG1 3.57Å; L56-V91 HydrophobicContact CG-CG2 4.38Å; R85-V91 HydrophobicContact CB-CG2 4.15Å; R85-V91 HydrophobicContact CG-CG2 4Å; S87-V91 WeakPolarHBondContact O-CG2 2.91Å; C88-V91 PolarHBondContact O-N 2.85Å; E89-V91 PolarHBondContact O-N 2.99Å; V91-C99 HydrophobicContact CB-CB 4.29Å; V91-C99 HydrophobicContact CG1-CB 4.02Å | ||
| 92 | K | 90.9 | Very high | 92.6 | Very high | 169 Ų | 169 | 78.6 Ų | 78.6 | 74% | 0.735 | 43% | 0.43 | S | S | * | . | trans | -109.6 | 106.7 | 176.3 | -66.5 | 178.7 | -176.7 | 171.6 | 0 | 110.1 | G54 | G54-K92 PolarHBondContact O-N 3.38Å; G54-K92 VanDerWaalsContact O-N 3.12Å | ||
| 93 | C | 92.5 | Very high | 92.5 | Very high | 35 Ų | 35 | 80.6 Ų | 80.6 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 154.9 | 174.2 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | K97 C99 C108 | C93-K97 HydrophobicContact CB-CB 3.87Å; C93-C99 PolarHBondContact SG-N 3.19Å; C93-C108 WeakPolarHBondContact CA-SG 3.32Å; C93-C108 HydrophobicContact CB-CB 3.8Å; C93-C108 WeakPolarHBondContact CB-SG 3.41Å; C93-C108 VanDerWaalsContact SG-CA 3.55Å; C93-C108 WeakPolarHBondContact SG-CB 3.47Å; C93-C108 CovalentContact SG-SG 2.03Å; C93-C108 PolarHBondContact SG-SG 2.84Å |
| 94 | S | 90.5 | Very high | 92.2 | Very high | 75 Ų | 75 | 81.1 Ų | 81.1 | 52% | 0.524 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 158 | 170.3 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | G96 K97 | S94-G96 PolarHBondContact O-N 3.41Å; S94-K97 WeakPolarHBondContact O-CB 3.06Å; S94-K97 PolarHBondContact O-N 2.04Å |
| 95 | P | 89.5 | Confident | 92 | Very high | 133 Ų | 133 | 86.3 Ų | 86.3 | 86% | 0.864 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 138.7 | 177.6 | -27.3 | 35.2 | 0 | 0 | 0 | 112.9 | K97 | P95-K97 PolarHBondContact O-N 3.14Š|
| 96 | G | 89.2 | Confident | 92.1 | Very high | 42 Ų | 42 | 83.8 Ų | 83.8 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 6.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | S94 S111 | S94-G96 PolarHBondContact O-N 3.41Å; G96-S111 CarbonylContact O-C 3.01Å; G96-S111 PolarHBondContact O-N 3.33Å |
| 97 | K | 94.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 81 Ų | 81 | 34% | 0.343 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.1 | 172.4 | -62.5 | -176.6 | -179.1 | -177.9 | 0 | 111.1 | C93 S94 P95 C108 V109 | C93-K97 HydrophobicContact CB-CB 3.87Å; S94-K97 WeakPolarHBondContact O-CB 3.06Å; S94-K97 PolarHBondContact O-N 2.04Å; P95-K97 PolarHBondContact O-N 3.14Å; K97-C108 HydrophobicContact CB-CB 4.34Å; K97-C108 HydrophobicContact CD-CB 4.38Å; K97-V109 CarbonylContact C-O 3.6Å; K97-V109 WeakPolarHBondContact CA-O 3.13Å; K97-V109 WeakPolarHBondContact CB-O 3.47Å |
| 98 | V | 94.6 | Very high | 92.1 | Very high | 57 Ų | 57 | 81.1 Ų | 81.1 | 35% | 0.345 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145.6 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | K100 V109 S111 | V98-K100 HydrophobicContact CG2-CG 4.23Å; V98-V109 HydrophobicContact CG2-CG2 4.1Å; V98-V109 PolarHBondContact N-O 2.91Å; V98-V109 WeakPolarHBondContact O-CG2 3.04Å; V98-V109 PolarHBondContact O-N 3.09Å; V98-S111 VanDerWaalsContact CG2-CB 3.48Å |
| 99 | C | 95.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 80.4 Ų | 80.4 | 21% | 0.209 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.8 | 174.2 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | C88 V91 C93 Q107 | C88-C99 WeakPolarHBondContact CA-SG 3.34Å; C88-C99 HydrophobicContact CB-CB 3.67Å; C88-C99 WeakPolarHBondContact CB-SG 3.3Å; C88-C99 WeakPolarHBondContact SG-CB 2.99Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 3.3Å; V91-C99 HydrophobicContact CB-CB 4.29Å; V91-C99 HydrophobicContact CG1-CB 4.02Å; C93-C99 PolarHBondContact SG-N 3.19Å; C99-Q107 WeakPolarHBondContact CA-O 2.95Å |
| 100 | K | 95.7 | Very high | 92.2 | Very high | 112 Ų | 112 | 73.6 Ų | 73.6 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.9 | 169.9 | -65.3 | -167.4 | -177.8 | -178.2 | 0 | 110.4 | C88 V98 K102 Q107 V109 | C88-K100 PolarHBondContact SG-N 3.26Å; V98-K100 HydrophobicContact CG2-CG 4.23Å; K100-K102 PolarHBondContact O-N 3.41Å; K100-Q107 PolarHBondContact N-O 3.05Å; K100-Q107 PolarHBondContact O-N 3.43Å; K100-V109 HydrophobicContact CB-CG2 4.11Å; K100-V109 HydrophobicContact CD-CG2 3.82Å; K100-V109 HydrophobicContact CG-CG2 3.82Å |
| 101 | M | 94.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 74 Ų | 74 | 49% | 0.488 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 117.9 | 169.4 | -63.1 | -56.9 | -71.6 | 0 | 0 | 109.4 | D86 R105 P106 | D86-M101 WeakPolarHBondContact O-CE 3.2Å; M101-R105 CarbonylContact C-O 3.53Å; M101-R105 WeakPolarHBondContact CA-O 3.46Å; M101-P106 HydrophobicContact SD-CB 3.86Å |
| 102 | K | 91.8 | Very high | 92.5 | Very high | 106 Ų | 106 | 74.3 Ų | 74.3 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.6 | 173.1 | -81.7 | -167.3 | 170.4 | -174.4 | 0 | 109.3 | K100 G104 R105 Q107 V109 | K100-K102 PolarHBondContact O-N 3.41Å; K102-G104 PolarHBondContact O-N 2.96Å; K102-G104 VanDerWaalsContact O-N 3.14Å; K102-R105 PolarHBondContact N-O 3.15Å; K102-R105 PolarHBondContact O-N 3.35Å; K102-R105 VanDerWaalsContact O-O 3.13Å; K102-Q107 HydrophobicContact CB-CG 4.44Å; K102-V109 HydrophobicContact CD-CG1 4.21Å |
| 103 | M | 88.6 | Confident | 92.4 | Very high | 192 Ų | 192 | 71.6 Ų | 71.6 | 95% | 0.946 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.4 | -178.8 | -59.6 | 175.1 | 63.2 | 0 | 0 | 112.7 | R105 | M103-R105 VanDerWaalsContact C-N 3.34Å; M103-R105 PolarHBondContact O-N 3.13Å |
| 104 | G | 87.9 | Confident | 92.4 | Very high | 64 Ų | 64 | 70.4 Ų | 70.4 | 66% | 0.66 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 9.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K102 | K102-G104 PolarHBondContact O-N 2.96Å; K102-G104 VanDerWaalsContact O-N 3.14Å |
| 105 | R | 87.6 | Confident | 92.5 | Very high | 123 Ų | 123 | 71.5 Ų | 71.5 | 46% | 0.464 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.3 | -179.4 | -61.9 | -174.8 | -176.7 | -171.2 | 0.9 | 112.7 | H35 M101 K102 M103 | H35-R105 PolarHBondContact CD2-NH1 3.01Å; M101-R105 CarbonylContact C-O 3.53Å; M101-R105 WeakPolarHBondContact CA-O 3.46Å; K102-R105 PolarHBondContact N-O 3.15Å; K102-R105 PolarHBondContact O-N 3.35Å; K102-R105 VanDerWaalsContact O-O 3.13Å; M103-R105 VanDerWaalsContact C-N 3.34Å; M103-R105 PolarHBondContact O-N 3.13Å |
| 106 | P | 93.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 73.4 Ų | 73.4 | 10% | 0.097 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.2 | 176.6 | 30.3 | -34.3 | 0 | 0 | 0 | 110.8 | L56 R85 S87 M101 | L56-P106 HydrophobicContact CD2-CB 3.74Å; L56-P106 HydrophobicContact CD2-CG 3.74Å; R85-P106 HydrophobicContact CB-CG 4.48Å; S87-P106 WeakPolarHBondContact O-CB 3.33Å; M101-P106 HydrophobicContact SD-CB 3.86Å |
| 107 | Q | 92.7 | Very high | 92.4 | Very high | 67 Ų | 67 | 72.8 Ų | 72.8 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.3 | 178.3 | -65.6 | -174.9 | 3.4 | 0 | 0 | 110.8 | C99 K100 K102 V109 | C99-Q107 WeakPolarHBondContact CA-O 2.95Å; K100-Q107 PolarHBondContact N-O 3.05Å; K100-Q107 PolarHBondContact O-N 3.43Å; K102-Q107 HydrophobicContact CB-CG 4.44Å; Q107-V109 HydrophobicContact CB-CG1 4.26Å; Q107-V109 PolarHBondContact O-N 3.49Å |
| 108 | C | 93.6 | Very high | 92.1 | Very high | 43 Ų | 43 | 72.5 Ų | 72.5 | 29% | 0.291 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 104.9 | 169.2 | -71.6 | 0 | 0 | 0 | 0 | 109.5 | L56 C93 K97 | L56-C108 HydrophobicContact CD1-CB 4.13Å; L56-C108 VanDerWaalsContact CD1-N 3.3Å; L56-C108 WeakPolarHBondContact CD1-SG 3.4Å; C93-C108 WeakPolarHBondContact CA-SG 3.32Å; C93-C108 HydrophobicContact CB-CB 3.8Å; C93-C108 WeakPolarHBondContact CB-SG 3.41Å; C93-C108 VanDerWaalsContact SG-CA 3.55Å; C93-C108 WeakPolarHBondContact SG-CB 3.47Å; C93-C108 CovalentContact SG-SG 2.03Å; C93-C108 PolarHBondContact SG-SG 2.84Å; K97-C108 HydrophobicContact CB-CB 4.34Å; K97-C108 HydrophobicContact CD-CB 4.38Å |
| 109 | V | 94.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 76.2 Ų | 76.2 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.2 | -179.6 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | K97 V98 K100 K102 Q107 S111 | K97-V109 CarbonylContact C-O 3.6Å; K97-V109 WeakPolarHBondContact CA-O 3.13Å; K97-V109 WeakPolarHBondContact CB-O 3.47Å; V98-V109 HydrophobicContact CG2-CG2 4.1Å; V98-V109 PolarHBondContact N-O 2.91Å; V98-V109 WeakPolarHBondContact O-CG2 3.04Å; V98-V109 PolarHBondContact O-N 3.09Å; K100-V109 HydrophobicContact CB-CG2 4.11Å; K100-V109 HydrophobicContact CD-CG2 3.82Å; K100-V109 HydrophobicContact CG-CG2 3.82Å; K102-V109 HydrophobicContact CD-CG1 4.21Å; Q107-V109 HydrophobicContact CB-CG1 4.26Å; Q107-V109 PolarHBondContact O-N 3.49Å; V109-S111 PolarHBondContact O-N 3.5Å |
| 110 | C | 96 | Very high | 90.8 | Very high | 12 Ų | 12 | 83.7 Ų | 83.7 | 8% | 0.081 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 130.6 | 174.4 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | M139 C142 M143 | C110-M139 HydrophobicContact CB-CE 3.65Å; C110-M139 HydrophobicContact CB-SD 3.48Å; C110-M139 WeakPolarHBondContact CB-SD 3.15Å; C110-C142 WeakPolarHBondContact CA-SG 3.46Å; C110-C142 HydrophobicContact CB-CB 3.7Å; C110-C142 WeakPolarHBondContact CB-SG 3.45Å; C110-C142 WeakPolarHBondContact SG-CB 3.21Å; C110-C142 PolarHBondContact SG-O 3.23Å; C110-C142 CovalentContact SG-SG 2.04Å; C110-C142 PolarHBondContact SG-SG 2.79Å; C110-M143 HydrophobicContact CB-CG 4.31Å; C110-M143 HydrophobicContact CB-SD 4.05Å |
| 111 | S | 95.4 | Very high | 90.6 | Very high | 54 Ų | 54 | 84.1 Ų | 84.1 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | trans | -150.3 | 70 | 177.9 | -174 | 0 | 0 | 0 | 0 | 108.5 | G96 V98 V109 | G96-S111 CarbonylContact O-C 3.01Å; G96-S111 PolarHBondContact O-N 3.33Å; V98-S111 VanDerWaalsContact CG2-CB 3.48Å; V109-S111 PolarHBondContact O-N 3.5Å | ||
| 112 | P | 93 | Very high | 90.7 | Very high | 27 Ų | 27 | 80.5 Ų | 80.5 | 18% | 0.175 | 42% | 0.422 | C | S | . | . | trans | -60.4 | 146 | 174.8 | 27.8 | -34.8 | 0 | 0 | 0 | 110.3 | C114 L138 M139 | P112-C114 PolarHBondContact O-N 2.93Å; P112-L138 HydrophobicContact CB-CB 3.83Å; P112-L138 HydrophobicContact CB-CD1 4.43Å; P112-L138 HydrophobicContact CG-CB 4.08Å; P112-M139 HydrophobicContact CG-CB 4.4Å; P112-M139 HydrophobicContact CG-SD 4.46Å | ||
| 113 | D | 90.2 | Very high | 91 | Very high | 112 Ų | 112 | 75.5 Ų | 75.5 | 60% | 0.599 | 40% | 0.401 | S | S | * | . | trans | -71.7 | 122 | 170.6 | -177.6 | 12.9 | 0 | 0 | 0 | 109.3 | S115 | D113-S115 WeakPolarHBondContact OD1-CB 3.26Å; D113-S115 PolarHBondContact OD1-N 3.28Å; D113-S115 PolarHBondContact OD1-OG 3.4Å | ||
| 114 | C | 91.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | trans | -129.6 | 18.2 | -178 | -60 | 0 | 0 | 0 | 0 | 112 | P112 H116 I117 C135 | P112-C114 PolarHBondContact O-N 2.93Å; C114-H116 PolarHBondContact O-N 3.17Å; C114-I117 HydrophobicContact CB-CB 4.49Å; C114-I117 HydrophobicContact CB-CD1 4.33Å; C114-I117 PolarHBondContact O-N 3.35Å; C114-C135 HydrophobicContact CB-CB 3.64Å; C114-C135 WeakPolarHBondContact CB-SG 3.47Å; C114-C135 WeakPolarHBondContact SG-CB 3.32Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.26Å | ||
| 115 | S | 91.8 | Very high | 91.9 | Very high | 98 Ų | 98 | 63.3 Ų | 63.3 | 69% | 0.685 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -29.9 | -174.7 | -50.8 | 0 | 0 | 0 | 0 | 112 | D113 | D113-S115 WeakPolarHBondContact OD1-CB 3.26Å; D113-S115 PolarHBondContact OD1-N 3.28Å; D113-S115 PolarHBondContact OD1-OG 3.4Å |
| 116 | H | 89.3 | Confident | 92.4 | Very high | 173 Ų | 173 | 60.2 Ų | 60.2 | 80% | 0.801 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 8.7 | -179.7 | -60 | -71.8 | 0 | 0 | 0 | 113.7 | C114 | C114-H116 PolarHBondContact O-N 3.17Š|
| 117 | I | 88.2 | Confident | 92.6 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -102.2 | 123.5 | -174.7 | -59.4 | -179.8 | 0 | 0 | 0 | 110.3 | C114 R119 E134 C135 L138 | C114-I117 HydrophobicContact CB-CB 4.49Å; C114-I117 HydrophobicContact CB-CD1 4.33Å; C114-I117 PolarHBondContact O-N 3.35Å; I117-R119 PolarHBondContact O-N 2.02Å; I117-E134 HydrophobicContact CD1-CG 4.31Å; I117-E134 HydrophobicContact CG2-CB 3.71Å; I117-E134 HydrophobicContact CG2-CG 4.26Å; I117-C135 HydrophobicContact CG2-CB 4.45Å; I117-L138 HydrophobicContact CD1-CD1 3.44Å; I117-L138 VanDerWaalsContact CD1-CD1 3.44Å |
| 118 | P | 87.3 | Confident | 92.7 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | trans | -60.6 | 122.7 | 174.4 | -22.5 | 33.4 | 0 | 0 | 0 | 112.4 | K120 H121 | P118-K120 VanDerWaalsContact C-N 3.31Å; P118-K120 PolarHBondContact O-N 3.34Å; P118-H121 WeakPolarHBondContact CB-ND1 3.45Å | ||
| 119 | R | 80.6 | Confident | 92.9 | Very high | 134 Ų | 134 | 65.7 Ų | 65.7 | 51% | 0.506 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 12.2 | -173.3 | -66.1 | -65.4 | -167.1 | 145.2 | 3.3 | 116.3 | I117 C135 | I117-R119 PolarHBondContact O-N 2.02Å; R119-C135 PolarHBondContact NH1-SG 3.43Å; R119-C135 PolarHBondContact NH2-SG 3.11Å; R119-C135 VanDerWaalsContact NH2-SG 3.4Å |
| 120 | K | 82.4 | Confident | 93.1 | Very high | 189 Ų | 189 | 66.9 Ų | 66.9 | 82% | 0.822 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.6 | 2.3 | -172.1 | -65.5 | -172.7 | 179.8 | -179 | 0 | 114.5 | P118 | P118-K120 VanDerWaalsContact C-N 3.31Å; P118-K120 PolarHBondContact O-N 3.34Å |
| 121 | H | 92.8 | Very high | 93.2 | Very high | 121 Ų | 121 | 67.4 Ų | 67.4 | 56% | 0.56 | 36% | 0.362 | S | S | * | . | trans | -105.7 | 109.7 | 179 | -62.6 | 101.3 | 0 | 0 | 0 | 108.1 | P118 D133 | P118-H121 WeakPolarHBondContact CB-ND1 3.45Å; H121-D133 WeakPolarHBondContact O-CA 3.31Å | ||
| 122 | A | 96.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | trans | -59.8 | 155.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y131 R132 G154 E155 | A122-Y131 CarbonylContact C-O 3.56Å; A122-Y131 WeakPolarHBondContact CA-O 3.4Å; A122-Y131 WeakPolarHBondContact CB-O 3.01Å; A122-R132 WeakPolarHBondContact CA-O 3.21Å; A122-R132 PolarHBondContact N-O 2.91Å; A122-G154 CarbonylContact O-C 3.58Å; A122-G154 WeakPolarHBondContact O-CA 3.31Å; A122-G154 PolarHBondContact O-N 2.98Å; A122-E155 HydrophobicContact CB-CG 3.75Å | ||
| 123 | V | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.9 | 175.1 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | Y131 E134 L137 V150 G154 | V123-Y131 PolarHBondContact N-O 2.9Å; V123-Y131 PolarHBondContact O-N 3.18Å; V123-E134 HydrophobicContact CG1-CB 4.17Å; V123-L137 HydrophobicContact CG2-CB 4.19Å; V123-L137 HydrophobicContact CG2-CD1 3.88Å; V123-V150 HydrophobicContact CB-CG1 4.08Å; V123-V150 HydrophobicContact CB-CG2 4.21Å; V123-V150 HydrophobicContact CG1-CG1 4.19Å; V123-V150 HydrophobicContact CG1-CG2 4.29Å; V123-V150 HydrophobicContact CG2-CG2 4.17Å; V123-G154 CarbonylContact C-O 3.51Å; V123-G154 WeakPolarHBondContact CA-O 3.48Å |
| 124 | C | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.6 | 171.1 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | M151 Y152 G154 C156 | C124-M151 WeakPolarHBondContact O-CB 3.43Å; C124-M151 PolarHBondContact O-N 2.76Å; C124-M151 WeakPolarHBondContact SG-CE 3.46Å; C124-Y152 HydrophobicContact CB-CD1 4.25Å; C124-Y152 HydrophobicContact CB-CD2 3.71Å; C124-Y152 HydrophobicContact CB-CE1 4.01Å; C124-Y152 HydrophobicContact CB-CE2 3.4Å; C124-Y152 HydrophobicContact CB-CG 4.13Å; C124-Y152 PolarHBondContact N-O 2.03Å; C124-Y152 PolarHBondContact O-N 2.98Å; C124-Y152 PolarHBondContact SG-OH 3.48Å; C124-G154 PolarHBondContact N-O 3.5Å; C124-C156 WeakPolarHBondContact CA-SG 3.38Å; C124-C156 HydrophobicContact CB-CB 4Å; C124-C156 WeakPolarHBondContact CB-SG 3.49Å; C124-C156 WeakPolarHBondContact SG-CA 3.39Å; C124-C156 WeakPolarHBondContact SG-CB 3.48Å; C124-C156 CovalentContact SG-SG 2.04Å; C124-C156 PolarHBondContact SG-SG 3.3Å |
| 125 | G | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 158.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D127 G128 K129 E149 | G125-D127 PolarHBondContact O-N 2.69Å; G125-D127 VanDerWaalsContact O-N 3.16Å; G125-G128 PolarHBondContact O-N 3.48Å; G125-K129 PolarHBondContact N-O 3.07Å; G125-E149 CarbonylContact C-O 3.52Å; G125-E149 VanDerWaalsContact CA-O 3.31Å; G125-E149 WeakPolarHBondContact CA-O 3.22Å |
| 126 | S | 97.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.3 | 171.9 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | G128 D147 E149 | S126-G128 VanDerWaalsContact C-N 3.3Å; S126-D147 PolarHBondContact OG-O 2.7Å; S126-E149 PolarHBondContact N-O 3.47Å; S126-E149 PolarHBondContact OG-N 3.42Å |
| 127 | D | 96.6 | Very high | 94.5 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.4 | 170.9 | 69.8 | -20.6 | 0 | 0 | 0 | 113.6 | G125 K129 Y131 L148 | G125-D127 PolarHBondContact O-N 2.69Å; G125-D127 VanDerWaalsContact O-N 3.16Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.02Å; D127-K129 WeakPolarHBondContact OD1-CB 3.29Å; D127-K129 PolarHBondContact OD1-N 3.43Å; D127-K129 WeakPolarHBondContact OD2-CB 3.48Å; D127-Y131 PolarHBondContact OD2-OH 3.27Å; D127-L148 HydrophobicContact CB-CD1 3.91Å |
| 128 | G | 96.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 76.6 | 12.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G125 S126 C156 | G125-G128 PolarHBondContact O-N 3.48Å; S126-G128 VanDerWaalsContact C-N 3.3Å; G128-C156 PolarHBondContact O-SG 2.04Å; G128-C156 VanDerWaalsContact O-SG 3.37Å |
| 129 | K | 97.3 | Very high | 95.3 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | trans | -102.1 | 140.3 | 179.4 | -173.1 | 176.4 | 177.3 | 178.3 | 0 | 112.2 | G125 D127 Y131 C156 | G125-K129 PolarHBondContact N-O 3.07Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.02Å; D127-K129 WeakPolarHBondContact OD1-CB 3.29Å; D127-K129 PolarHBondContact OD1-N 3.43Å; D127-K129 WeakPolarHBondContact OD2-CB 3.48Å; K129-Y131 HydrophobicContact CB-CE2 3.94Å; K129-Y131 HydrophobicContact CD-CE2 4.47Å; K129-Y131 HydrophobicContact CG-CE2 4.27Å; K129-Y131 VanDerWaalsContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CE2 3.01Å; K129-C156 PolarHBondContact O-SG 3.3Å | ||
| 130 | S | 98 | Very high | 96 | Very high | 51 Ų | 51 | 53.5 Ų | 53.5 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 129.6 | 170.4 | -59.6 | 0 | 0 | 0 | 0 | 111 | C156 | S130-C156 PolarHBondContact OG-N 3.42Å |
| 131 | Y | 97.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.3 | 171 | -66.1 | -97.2 | 0 | 0 | 0 | 109.3 | A122 V123 D127 K129 D133 A136 L137 A140 L148 | A122-Y131 CarbonylContact C-O 3.56Å; A122-Y131 WeakPolarHBondContact CA-O 3.4Å; A122-Y131 WeakPolarHBondContact CB-O 3.01Å; V123-Y131 PolarHBondContact N-O 2.9Å; V123-Y131 PolarHBondContact O-N 3.18Å; D127-Y131 PolarHBondContact OD2-OH 3.27Å; K129-Y131 HydrophobicContact CB-CE2 3.94Å; K129-Y131 HydrophobicContact CD-CE2 4.47Å; K129-Y131 HydrophobicContact CG-CE2 4.27Å; K129-Y131 VanDerWaalsContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CE2 3.01Å; Y131-D133 PolarHBondContact O-N 3.32Å; Y131-D133 VanDerWaalsContact O-N 3.17Å; Y131-A136 HydrophobicContact CD1-CB 4.44Å; Y131-L137 HydrophobicContact CD1-CB 3.99Å; Y131-L137 HydrophobicContact CD2-CB 4.13Å; Y131-L137 HydrophobicContact CD2-CD1 3.86Å; Y131-L137 HydrophobicContact CD2-CG 4.18Å; Y131-L137 HydrophobicContact CE1-CB 4.46Å; Y131-L137 HydrophobicContact CE2-CD1 4.16Å; Y131-L137 HydrophobicContact CE2-CG 4.31Å; Y131-L137 HydrophobicContact CG-CB 3.8Å; Y131-L137 HydrophobicContact CG-CD1 4.38Å; Y131-L137 HydrophobicContact CG-CG 4.35Å; Y131-A140 HydrophobicContact CE1-CB 3.59Å; Y131-L148 HydrophobicContact CE1-CD2 4.34Å; Y131-L148 HydrophobicContact CE2-CD1 4.31Å; Y131-L148 HydrophobicContact CE2-CD2 4.34Å; Y131-L148 VanDerWaalsContact OH-CD2 3.26Å; Y131-L148 WeakPolarHBondContact OH-CD2 3.42Å |
| 132 | R | 96.9 | Very high | 96.9 | Very high | 185 Ų | 185 | 44.2 Ų | 44.2 | 70% | 0.698 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -58.9 | -29.2 | -178.5 | 69.1 | 177.7 | -174.5 | -168 | -4.5 | 113.6 | A122 A136 | A122-R132 WeakPolarHBondContact CA-O 3.21Å; A122-R132 PolarHBondContact N-O 2.91Å; R132-A136 HydrophobicContact CG-CB 3.84Å |
| 133 | D | 96.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -160 | 165.1 | 176.1 | 58.5 | 46.7 | 0 | 0 | 0 | 109.8 | H121 Y131 C135 A136 L137 | H121-D133 WeakPolarHBondContact O-CA 3.31Å; Y131-D133 PolarHBondContact O-N 3.32Å; Y131-D133 VanDerWaalsContact O-N 3.17Å; D133-C135 PolarHBondContact O-N 3.03Å; D133-C135 WeakPolarHBondContact OD1-CA 3.47Å; D133-C135 WeakPolarHBondContact OD1-CB 3.34Å; D133-C135 PolarHBondContact OD1-N 3.04Å; D133-C135 VanDerWaalsContact OD1-N 3.17Å; D133-A136 WeakPolarHBondContact O-CB 3.39Å; D133-A136 PolarHBondContact O-N 3.34Å; D133-A136 WeakPolarHBondContact OD1-CB 3.35Å; D133-A136 PolarHBondContact OD1-N 3.36Å; D133-L137 PolarHBondContact O-N 3.25Å |
| 134 | E | 96.5 | Very high | 96.5 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -29.9 | 178.1 | 177.3 | 177.5 | -175 | 0 | 0 | 112.5 | I117 V123 A136 L137 L138 V150 | I117-E134 HydrophobicContact CD1-CG 4.31Å; I117-E134 HydrophobicContact CG2-CB 3.71Å; I117-E134 HydrophobicContact CG2-CG 4.26Å; V123-E134 HydrophobicContact CG1-CB 4.17Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 2.99Å; E134-L137 WeakPolarHBondContact O-CB 3.39Å; E134-L137 PolarHBondContact O-N 3.14Å; E134-L138 WeakPolarHBondContact O-CG 3.3Å; E134-L138 PolarHBondContact O-N 3.43Å; E134-V150 HydrophobicContact CG-CG2 3.99Å |
| 135 | C | 95.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 176 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | C114 I117 R119 D133 L137 L138 M139 | C114-C135 HydrophobicContact CB-CB 3.64Å; C114-C135 WeakPolarHBondContact CB-SG 3.47Å; C114-C135 WeakPolarHBondContact SG-CB 3.32Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.26Å; I117-C135 HydrophobicContact CG2-CB 4.45Å; R119-C135 PolarHBondContact NH1-SG 3.43Å; R119-C135 PolarHBondContact NH2-SG 3.11Å; R119-C135 VanDerWaalsContact NH2-SG 3.4Å; D133-C135 PolarHBondContact O-N 3.03Å; D133-C135 WeakPolarHBondContact OD1-CA 3.47Å; D133-C135 WeakPolarHBondContact OD1-CB 3.34Å; D133-C135 PolarHBondContact OD1-N 3.04Å; D133-C135 VanDerWaalsContact OD1-N 3.17Å; C135-L137 VanDerWaalsContact C-N 3.29Å; C135-L138 PolarHBondContact O-N 3.34Å; C135-M139 WeakPolarHBondContact O-CB 3.47Å; C135-M139 PolarHBondContact O-N 3.3Å |
| 136 | A | 96.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y131 R132 D133 E134 M139 A140 | Y131-A136 HydrophobicContact CD1-CB 4.44Å; R132-A136 HydrophobicContact CG-CB 3.84Å; D133-A136 WeakPolarHBondContact O-CB 3.39Å; D133-A136 PolarHBondContact O-N 3.34Å; D133-A136 WeakPolarHBondContact OD1-CB 3.35Å; D133-A136 PolarHBondContact OD1-N 3.36Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 2.99Å; A136-M139 PolarHBondContact O-N 3.31Å; A136-A140 PolarHBondContact O-N 3.26Å |
| 137 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 171.7 | -175.1 | 153 | 0 | 0 | 0 | 111 | V123 Y131 D133 E134 C135 M139 A140 R141 L148 V150 | V123-L137 HydrophobicContact CG2-CB 4.19Å; V123-L137 HydrophobicContact CG2-CD1 3.88Å; Y131-L137 HydrophobicContact CD1-CB 3.99Å; Y131-L137 HydrophobicContact CD2-CB 4.13Å; Y131-L137 HydrophobicContact CD2-CD1 3.86Å; Y131-L137 HydrophobicContact CD2-CG 4.18Å; Y131-L137 HydrophobicContact CE1-CB 4.46Å; Y131-L137 HydrophobicContact CE2-CD1 4.16Å; Y131-L137 HydrophobicContact CE2-CG 4.31Å; Y131-L137 HydrophobicContact CG-CB 3.8Å; Y131-L137 HydrophobicContact CG-CD1 4.38Å; Y131-L137 HydrophobicContact CG-CG 4.35Å; D133-L137 PolarHBondContact O-N 3.25Å; E134-L137 WeakPolarHBondContact O-CB 3.39Å; E134-L137 PolarHBondContact O-N 3.14Å; C135-L137 VanDerWaalsContact C-N 3.29Å; L137-M139 VanDerWaalsContact C-N 3.26Å; L137-M139 PolarHBondContact O-N 3.17Å; L137-A140 CarbonylContact O-C 3.55Å; L137-A140 WeakPolarHBondContact O-CB 3.34Å; L137-A140 PolarHBondContact O-N 2.72Å; L137-R141 PolarHBondContact O-N 3.22Å; L137-L148 HydrophobicContact CD1-CG 4.41Å; L137-L148 HydrophobicContact CD2-CD2 4.26Å; L137-L148 HydrophobicContact CD2-CG 3.98Å; L137-L148 HydrophobicContact CG-CD2 3.92Å; L137-L148 HydrophobicContact CG-CG 3.92Å; L137-V150 HydrophobicContact CD1-CG2 3.88Å; L137-V150 HydrophobicContact CD2-CG2 4.43Å |
| 138 | L | 95.8 | Very high | 96.2 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.183 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 176.5 | -69.9 | -179.3 | 0 | 0 | 0 | 112.8 | P112 I117 E134 C135 R141 C142 | P112-L138 HydrophobicContact CB-CB 3.83Å; P112-L138 HydrophobicContact CB-CD1 4.43Å; P112-L138 HydrophobicContact CG-CB 4.08Å; I117-L138 HydrophobicContact CD1-CD1 3.44Å; I117-L138 VanDerWaalsContact CD1-CD1 3.44Å; E134-L138 WeakPolarHBondContact O-CG 3.3Å; E134-L138 PolarHBondContact O-N 3.43Å; C135-L138 PolarHBondContact O-N 3.34Å; L138-R141 WeakPolarHBondContact O-CB 3.31Å; L138-R141 PolarHBondContact O-N 2.8Å; L138-C142 PolarHBondContact O-N 3.17Å |
| 139 | M | 95.8 | Very high | 96.2 | Very high | 74 Ų | 74 | 65.4 Ų | 65.4 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 173.4 | -173.1 | 66.7 | 179.5 | 0 | 0 | 111 | C110 P112 C135 A136 L137 R141 C142 M143 | C110-M139 HydrophobicContact CB-CE 3.65Å; C110-M139 HydrophobicContact CB-SD 3.48Å; C110-M139 WeakPolarHBondContact CB-SD 3.15Å; P112-M139 HydrophobicContact CG-CB 4.4Å; P112-M139 HydrophobicContact CG-SD 4.46Å; C135-M139 WeakPolarHBondContact O-CB 3.47Å; C135-M139 PolarHBondContact O-N 3.3Å; A136-M139 PolarHBondContact O-N 3.31Å; L137-M139 VanDerWaalsContact C-N 3.26Å; L137-M139 PolarHBondContact O-N 3.17Å; M139-R141 VanDerWaalsContact C-N 3.33Å; M139-R141 PolarHBondContact O-N 3.34Å; M139-C142 PolarHBondContact O-N 3.06Å; M139-M143 HydrophobicContact CE-CG 4.36Å; M139-M143 HydrophobicContact CE-SD 4.32Å; M139-M143 WeakPolarHBondContact O-CG 3.41Å; M139-M143 PolarHBondContact O-N 2.93Å; M139-M143 VanDerWaalsContact O-N 3.07Å |
| 140 | A | 96.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y131 A136 L137 M143 H145 L148 | Y131-A140 HydrophobicContact CE1-CB 3.59Å; A136-A140 PolarHBondContact O-N 3.26Å; L137-A140 CarbonylContact O-C 3.55Å; L137-A140 WeakPolarHBondContact O-CB 3.34Å; L137-A140 PolarHBondContact O-N 2.72Å; A140-M143 PolarHBondContact O-N 3.33Å; A140-H145 PolarHBondContact O-ND1 2.74Å; A140-H145 VanDerWaalsContact O-ND1 3.08Å; A140-L148 HydrophobicContact CB-CD2 3.82Å |
| 141 | R | 96.6 | Very high | 96.1 | Very high | 82 Ų | 82 | 60.1 Ų | 60.1 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.6 | -53.4 | 172.4 | 179.8 | -169.7 | -73.4 | -173 | -10.5 | 110.6 | L137 L138 M139 M143 G144 H145 L148 | L137-R141 PolarHBondContact O-N 3.22Å; L138-R141 WeakPolarHBondContact O-CB 3.31Å; L138-R141 PolarHBondContact O-N 2.8Å; M139-R141 VanDerWaalsContact C-N 3.33Å; M139-R141 PolarHBondContact O-N 3.34Å; R141-M143 VanDerWaalsContact C-N 3.26Å; R141-M143 PolarHBondContact O-N 3.46Å; R141-G144 PolarHBondContact O-N 2.83Å; R141-H145 VanDerWaalsContact CA-O 3.25Å; R141-H145 WeakPolarHBondContact CA-O 3.43Å; R141-H145 VanDerWaalsContact CG-O 3.29Å; R141-H145 WeakPolarHBondContact CG-O 3.26Å; R141-H145 CarbonylContact O-C 3.59Å; R141-H145 PolarHBondContact O-N 3.05Å; R141-L148 HydrophobicContact CB-CB 4.31Å; R141-L148 PolarHBondContact NE-O 3.31Å; R141-L148 PolarHBondContact NH2-O 3.37Å |
| 142 | C | 96 | Very high | 96.1 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -31.6 | -180 | 177.2 | 0 | 0 | 0 | 0 | 113.6 | C110 L138 M139 G144 | C110-C142 WeakPolarHBondContact CA-SG 3.46Å; C110-C142 HydrophobicContact CB-CB 3.7Å; C110-C142 WeakPolarHBondContact CB-SG 3.45Å; C110-C142 WeakPolarHBondContact SG-CB 3.21Å; C110-C142 PolarHBondContact SG-O 3.23Å; C110-C142 CovalentContact SG-SG 2.04Å; C110-C142 PolarHBondContact SG-SG 2.79Å; L138-C142 PolarHBondContact O-N 3.17Å; M139-C142 PolarHBondContact O-N 3.06Å; C142-G144 VanDerWaalsContact C-N 3.3Å; C142-G144 PolarHBondContact O-N 3.08Å |
| 143 | M | 94.4 | Very high | 96.1 | Very high | 129 Ų | 129 | 56.5 Ų | 56.5 | 64% | 0.635 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -7.4 | -176.7 | -71.7 | -69 | -68.6 | 0 | 0 | 114.4 | C110 M139 A140 R141 | C110-M143 HydrophobicContact CB-CG 4.31Å; C110-M143 HydrophobicContact CB-SD 4.05Å; M139-M143 HydrophobicContact CE-CG 4.36Å; M139-M143 HydrophobicContact CE-SD 4.32Å; M139-M143 WeakPolarHBondContact O-CG 3.41Å; M139-M143 PolarHBondContact O-N 2.93Å; M139-M143 VanDerWaalsContact O-N 3.07Å; A140-M143 PolarHBondContact O-N 3.33Å; R141-M143 VanDerWaalsContact C-N 3.26Å; R141-M143 PolarHBondContact O-N 3.46Å |
| 144 | G | 92.6 | Very high | 96.1 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150 | 9.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R141 C142 P146 | R141-G144 PolarHBondContact O-N 2.83Å; C142-G144 VanDerWaalsContact C-N 3.3Å; C142-G144 PolarHBondContact O-N 3.08Å; G144-P146 VanDerWaalsContact C-CD 3.5Å; G144-P146 WeakPolarHBondContact O-CD 3.2Å |
| 145 | H | 95.3 | Very high | 96.1 | Very high | 103 Ų | 103 | 59.7 Ų | 59.7 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | trans | -122 | 69.5 | -179.8 | -52.8 | 85 | 0 | 0 | 0 | 109.7 | A140 R141 D147 L148 | A140-H145 PolarHBondContact O-ND1 2.74Å; A140-H145 VanDerWaalsContact O-ND1 3.08Å; R141-H145 VanDerWaalsContact CA-O 3.25Å; R141-H145 WeakPolarHBondContact CA-O 3.43Å; R141-H145 VanDerWaalsContact CG-O 3.29Å; R141-H145 WeakPolarHBondContact CG-O 3.26Å; R141-H145 CarbonylContact O-C 3.59Å; R141-H145 PolarHBondContact O-N 3.05Å; H145-D147 PolarHBondContact O-N 3.12Å; H145-D147 VanDerWaalsContact O-N 3.14Å; H145-L148 HydrophobicContact CB-CB 3.72Å; H145-L148 HydrophobicContact CB-CD2 4.19Å; H145-L148 WeakPolarHBondContact O-CB 3.13Å; H145-L148 PolarHBondContact O-N 3.05Å | ||
| 146 | P | 93.4 | Very high | 96.2 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 62% | 0.623 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -32.7 | -169.8 | 22.9 | -33.8 | 0 | 0 | 0 | 113.7 | G144 | G144-P146 VanDerWaalsContact C-CD 3.5Å; G144-P146 WeakPolarHBondContact O-CD 3.2Å |
| 147 | D | 96.1 | Very high | 96.3 | Very high | 138 Ų | 138 | 63.7 Ų | 63.7 | 74% | 0.738 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 7.2 | -178.4 | -48.6 | -49.9 | 0 | 0 | 0 | 113.6 | S126 H145 E149 | S126-D147 PolarHBondContact OG-O 2.7Å; H145-D147 PolarHBondContact O-N 3.12Å; H145-D147 VanDerWaalsContact O-N 3.14Å; D147-E149 PolarHBondContact O-N 2.85Å |
| 148 | L | 97.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | trans | -71.7 | 119 | -179.9 | 176.2 | 64.4 | 0 | 0 | 0 | 110.2 | D127 Y131 L137 A140 R141 H145 | D127-L148 HydrophobicContact CB-CD1 3.91Å; Y131-L148 HydrophobicContact CE1-CD2 4.34Å; Y131-L148 HydrophobicContact CE2-CD1 4.31Å; Y131-L148 HydrophobicContact CE2-CD2 4.34Å; Y131-L148 VanDerWaalsContact OH-CD2 3.26Å; Y131-L148 WeakPolarHBondContact OH-CD2 3.42Å; L137-L148 HydrophobicContact CD1-CG 4.41Å; L137-L148 HydrophobicContact CD2-CD2 4.26Å; L137-L148 HydrophobicContact CD2-CG 3.98Å; L137-L148 HydrophobicContact CG-CD2 3.92Å; L137-L148 HydrophobicContact CG-CG 3.92Å; A140-L148 HydrophobicContact CB-CD2 3.82Å; R141-L148 HydrophobicContact CB-CB 4.31Å; R141-L148 PolarHBondContact NE-O 3.31Å; R141-L148 PolarHBondContact NH2-O 3.37Å; H145-L148 HydrophobicContact CB-CB 3.72Å; H145-L148 HydrophobicContact CB-CD2 4.19Å; H145-L148 WeakPolarHBondContact O-CB 3.13Å; H145-L148 PolarHBondContact O-N 3.05Å | ||
| 149 | E | 96.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 70.9 Ų | 70.9 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | trans | -126 | 162.9 | -179 | -49.9 | -159.8 | 135.1 | 0 | 0 | 111.9 | G125 S126 D147 M151 | G125-E149 CarbonylContact C-O 3.52Å; G125-E149 VanDerWaalsContact CA-O 3.31Å; G125-E149 WeakPolarHBondContact CA-O 3.22Å; S126-E149 PolarHBondContact N-O 3.47Å; S126-E149 PolarHBondContact OG-N 3.42Å; D147-E149 PolarHBondContact O-N 2.85Å; E149-M151 PolarHBondContact O-N 2.9Å | ||
| 150 | V | 97.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 117.5 | 168.5 | 175 | 0 | 0 | 0 | 0 | 108 | V123 E134 L137 | V123-V150 HydrophobicContact CB-CG1 4.08Å; V123-V150 HydrophobicContact CB-CG2 4.21Å; V123-V150 HydrophobicContact CG1-CG1 4.19Å; V123-V150 HydrophobicContact CG1-CG2 4.29Å; V123-V150 HydrophobicContact CG2-CG2 4.17Å; E134-V150 HydrophobicContact CG-CG2 3.99Å; L137-V150 HydrophobicContact CD1-CG2 3.88Å; L137-V150 HydrophobicContact CD2-CG2 4.43Å |
| 151 | M | 97.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 73 Ų | 73 | 11% | 0.108 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -43.1 | 176.2 | -174.5 | 172.5 | 49.4 | 0 | 0 | 111.6 | C124 E149 P166 H180 C181 | C124-M151 WeakPolarHBondContact O-CB 3.43Å; C124-M151 PolarHBondContact O-N 2.76Å; C124-M151 WeakPolarHBondContact SG-CE 3.46Å; E149-M151 PolarHBondContact O-N 2.9Å; M151-P166 WeakPolarHBondContact O-CD 3.43Å; M151-H180 HydrophobicContact CE-CB 4.46Å; M151-H180 VanDerWaalsContact SD-CA 3.57Å; M151-H180 HydrophobicContact SD-CB 3.9Å; M151-C181 HydrophobicContact CG-CB 3.87Å; M151-C181 PolarHBondContact SD-N 2.89Å |
| 152 | Y | 97.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 75.9 Ų | 75.9 | 2% | 0.024 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 164.7 | 170.2 | 53.2 | -97.9 | 0 | 0 | 0 | 111.8 | C124 C156 K157 V163 A179 C181 | C124-Y152 HydrophobicContact CB-CD1 4.25Å; C124-Y152 HydrophobicContact CB-CD2 3.71Å; C124-Y152 HydrophobicContact CB-CE1 4.01Å; C124-Y152 HydrophobicContact CB-CE2 3.4Å; C124-Y152 HydrophobicContact CB-CG 4.13Å; C124-Y152 PolarHBondContact N-O 2.03Å; C124-Y152 PolarHBondContact O-N 2.98Å; C124-Y152 PolarHBondContact SG-OH 3.48Å; Y152-C156 VanDerWaalsContact OH-CA 3.3Å; Y152-C156 WeakPolarHBondContact OH-CA 2.99Å; Y152-K157 HydrophobicContact CE2-CG 4.43Å; Y152-K157 PolarHBondContact OH-N 3.5Å; Y152-V163 HydrophobicContact CD1-CG1 3.84Å; Y152-V163 HydrophobicContact CD2-CG1 4.21Å; Y152-V163 HydrophobicContact CE1-CG1 3.94Å; Y152-V163 HydrophobicContact CE2-CG1 4.32Å; Y152-V163 HydrophobicContact CE2-CG2 4.33Å; Y152-V163 HydrophobicContact CG-CG1 3.96Å; Y152-A179 WeakPolarHBondContact CE1-O 3.34Å; Y152-A179 PolarHBondContact OH-O 3.49Å; Y152-C181 HydrophobicContact CD1-CB 4.35Å; Y152-C181 WeakPolarHBondContact CD1-SG 2.98Å |
| 153 | Q | 96.5 | Very high | 96.1 | Very high | 125 Ų | 125 | 75.2 Ų | 75.2 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 144.2 | 178.1 | -63.4 | -64.6 | -28.9 | 0 | 0 | 111.6 | ||
| 154 | G | 96.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 75.1 Ų | 75.1 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 88 | 175.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A122 V123 C124 | A122-G154 CarbonylContact O-C 3.58Å; A122-G154 WeakPolarHBondContact O-CA 3.31Å; A122-G154 PolarHBondContact O-N 2.98Å; V123-G154 CarbonylContact C-O 3.51Å; V123-G154 WeakPolarHBondContact CA-O 3.48Å; C124-G154 PolarHBondContact N-O 3.5Å |
| 155 | E | 97.4 | Very high | 96.4 | Very high | 113 Ų | 113 | 73.6 Ų | 73.6 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -66.5 | 152.5 | 175.4 | -61.8 | -175.5 | 149.2 | 0 | 0 | 112.4 | A122 K157 | A122-E155 HydrophobicContact CB-CG 3.75Å; E155-K157 WeakPolarHBondContact O-CD 3.43Å; E155-K157 WeakPolarHBondContact O-CE 3.25Å; E155-K157 WeakPolarHBondContact O-CG 3.04Å; E155-K157 PolarHBondContact O-N 2.87Å |
| 156 | C | 97.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 71.8 Ų | 71.8 | 22% | 0.223 | 40% | 0.401 | C | S | . | . | trans | -58.2 | 135.5 | 173.7 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | C124 G128 K129 S130 Y152 | C124-C156 WeakPolarHBondContact CA-SG 3.38Å; C124-C156 HydrophobicContact CB-CB 4Å; C124-C156 WeakPolarHBondContact CB-SG 3.49Å; C124-C156 WeakPolarHBondContact SG-CA 3.39Å; C124-C156 WeakPolarHBondContact SG-CB 3.48Å; C124-C156 CovalentContact SG-SG 2.04Å; C124-C156 PolarHBondContact SG-SG 3.3Å; G128-C156 PolarHBondContact O-SG 2.04Å; G128-C156 VanDerWaalsContact O-SG 3.37Å; K129-C156 PolarHBondContact O-SG 3.3Å; S130-C156 PolarHBondContact OG-N 3.42Å; Y152-C156 VanDerWaalsContact OH-CA 3.3Å; Y152-C156 WeakPolarHBondContact OH-CA 2.99Å | ||
| 157 | K | 97.7 | Very high | 96.4 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 35% | 0.352 | 41% | 0.412 | S | S | . | . | trans | -109.6 | 159.1 | -173.8 | -56.6 | -55.3 | -179 | -172 | 0 | 112.4 | Y152 E155 V163 A179 | Y152-K157 HydrophobicContact CE2-CG 4.43Å; Y152-K157 PolarHBondContact OH-N 3.5Å; E155-K157 WeakPolarHBondContact O-CD 3.43Å; E155-K157 WeakPolarHBondContact O-CE 3.25Å; E155-K157 WeakPolarHBondContact O-CG 3.04Å; E155-K157 PolarHBondContact O-N 2.87Å; K157-V163 HydrophobicContact CB-CG2 3.73Å; K157-V163 HydrophobicContact CG-CG2 3.75Å; K157-A179 HydrophobicContact CB-CB 4.35Å; K157-A179 PolarHBondContact O-N 2.85Å | ||
| 158 | K | 96.4 | Very high | 96.3 | Very high | 138 Ų | 138 | 70.1 Ų | 70.1 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -100.4 | 16.5 | 176.3 | -65.8 | -63 | -173.2 | 178.9 | 0 | 113.7 | N177 S178 | K158-N177 CarbonylContact C-O 2.86Å; K158-N177 WeakPolarHBondContact CA-O 3.08Å; K158-N177 WeakPolarHBondContact O-CB 3.45Å; K158-S178 PolarHBondContact NZ-OG 3.37Å |
| 159 | S | 96.5 | Very high | 96.3 | Very high | 48 Ų | 48 | 73.1 Ų | 73.1 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -165.3 | 164.1 | 170.5 | 75 | 0 | 0 | 0 | 0 | 109.9 | S161 V163 A179 | S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact OG-N 2.84Å; S159-S161 PolarHBondContact OG-OG 3.4Å; S159-V163 WeakPolarHBondContact O-CG2 3.48Å; S159-A179 WeakPolarHBondContact O-CB 3.35Å |
| 160 | C | 97.3 | Very high | 96.4 | Very high | 41 Ų | 41 | 69 Ų | 69 | 28% | 0.277 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -82.2 | -2 | 175.7 | -73.9 | 0 | 0 | 0 | 0 | 114.7 | N162 V163 C171 | C160-N162 PolarHBondContact O-N 2.95Å; C160-N162 VanDerWaalsContact O-N 3.16Å; C160-V163 PolarHBondContact O-N 3.33Å; C160-C171 WeakPolarHBondContact CA-SG 3.49Å; C160-C171 HydrophobicContact CB-CB 3.7Å; C160-C171 WeakPolarHBondContact CB-SG 3.42Å; C160-C171 WeakPolarHBondContact SG-CB 3.45Å; C160-C171 CovalentContact SG-SG 2.04Å; C160-C171 PolarHBondContact SG-SG 2.03Å |
| 161 | S | 94.3 | Very high | 96.4 | Very high | 99 Ų | 99 | 68 Ų | 68 | 69% | 0.692 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30 | -171 | -52.7 | 0 | 0 | 0 | 0 | 114.3 | S159 | S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact OG-N 2.84Å; S159-S161 PolarHBondContact OG-OG 3.4Å |
| 162 | N | 93.1 | Very high | 96.4 | Very high | 143 Ų | 143 | 68.1 Ų | 68.1 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.5 | 27.7 | -178.2 | -64.2 | -46.6 | 0 | 0 | 0 | 111.9 | C160 | C160-N162 PolarHBondContact O-N 2.95Å; C160-N162 VanDerWaalsContact O-N 3.16Å |
| 163 | V | 96.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 11% | 0.109 | 41% | 0.411 | C | S | . | . | trans | -104.8 | 120.9 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | Y152 K157 S159 C160 C171 A179 | Y152-V163 HydrophobicContact CD1-CG1 3.84Å; Y152-V163 HydrophobicContact CD2-CG1 4.21Å; Y152-V163 HydrophobicContact CE1-CG1 3.94Å; Y152-V163 HydrophobicContact CE2-CG1 4.32Å; Y152-V163 HydrophobicContact CE2-CG2 4.33Å; Y152-V163 HydrophobicContact CG-CG1 3.96Å; K157-V163 HydrophobicContact CB-CG2 3.73Å; K157-V163 HydrophobicContact CG-CG2 3.75Å; S159-V163 WeakPolarHBondContact O-CG2 3.48Å; C160-V163 PolarHBondContact O-N 3.33Å; V163-C171 HydrophobicContact CG1-CB 4.45Å; V163-A179 HydrophobicContact CG2-CB 3.87Å | ||
| 164 | V | 96.3 | Very high | 96.4 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 77% | 0.77 | 39% | 0.393 | S | S | * | . | trans | -103.7 | 107.8 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 165 | C | 97.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 72 Ų | 72 | 15% | 0.149 | 42% | 0.418 | C | S | . | . | trans | -79.8 | 141.8 | 179.4 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | H169 C171 C181 | C165-H169 HydrophobicContact CB-CB 3.67Å; C165-H169 WeakPolarHBondContact CB-O 3.37Å; C165-C171 VanDerWaalsContact SG-CA 3.59Å; C165-C171 PolarHBondContact SG-N 2.94Å; C165-C181 WeakPolarHBondContact CA-SG 3.41Å; C165-C181 HydrophobicContact CB-CB 3.66Å; C165-C181 WeakPolarHBondContact CB-SG 3.04Å; C165-C181 VanDerWaalsContact SG-CA 3.51Å; C165-C181 WeakPolarHBondContact SG-CB 3.46Å; C165-C181 CovalentContact SG-SG 2.03Å; C165-C181 PolarHBondContact SG-SG 3.06Å | ||
| 166 | P | 95.3 | Very high | 96.2 | Very high | 65 Ų | 65 | 70.2 Ų | 70.2 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -71.9 | 143.7 | -178.8 | 28.4 | -34.1 | 0 | 0 | 0 | 112.2 | M151 T168 H169 | M151-P166 WeakPolarHBondContact O-CD 3.43Å; P166-T168 PolarHBondContact O-N 3.05Å; P166-H169 VanDerWaalsContact O-CB 3.32Å; P166-H169 WeakPolarHBondContact O-CB 3.05Å; P166-H169 PolarHBondContact O-N 3.16Å; P166-H169 PolarHBondContact O-ND1 2.95Å |
| 167 | G | 94 | Very high | 96.1 | Very high | 82 Ų | 82 | 73.4 Ų | 73.4 | 85% | 0.845 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -125.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 168 | T | 93.9 | Very high | 96 | Very high | 116 Ų | 116 | 70.6 Ų | 70.6 | 71% | 0.712 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 14.2 | -179.6 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | P166 M183 | P166-T168 PolarHBondContact O-N 3.05Å; T168-M183 VanDerWaalsContact O-CE 3.3Å; T168-M183 WeakPolarHBondContact O-CE 3.44Å; T168-M183 WeakPolarHBondContact OG1-CE 3.3Å |
| 169 | H | 97.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 32% | 0.324 | 39% | 0.393 | S | S | . | . | trans | -70 | 143.1 | -178.8 | -69.7 | 75.8 | 0 | 0 | 0 | 110.1 | C165 P166 C181 V182 M183 | C165-H169 HydrophobicContact CB-CB 3.67Å; C165-H169 WeakPolarHBondContact CB-O 3.37Å; P166-H169 VanDerWaalsContact O-CB 3.32Å; P166-H169 WeakPolarHBondContact O-CB 3.05Å; P166-H169 PolarHBondContact O-N 3.16Å; P166-H169 PolarHBondContact O-ND1 2.95Å; H169-C181 HydrophobicContact CB-CB 4.05Å; H169-V182 CarbonylContact C-O 3.34Å; H169-V182 WeakPolarHBondContact CA-O 3.4Å; H169-M183 HydrophobicContact CB-CE 3.7Å; H169-M183 VanDerWaalsContact CD2-CE 3.43Å; H169-M183 WeakPolarHBondContact CD2-CE 3.35Å; H169-M183 VanDerWaalsContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact ND1-CE 3.48Å | ||
| 170 | T | 97.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137.8 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | V182 C184 C217 | T170-V182 PolarHBondContact N-O 3.49Å; T170-V182 PolarHBondContact O-N 3.09Å; T170-C184 WeakPolarHBondContact CB-SG 3.45Å; T170-C217 WeakPolarHBondContact CG2-O 3.3Å |
| 171 | C | 98.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.135 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.8 | 174.7 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | C160 V163 C165 H180 G220 | C160-C171 WeakPolarHBondContact CA-SG 3.49Å; C160-C171 HydrophobicContact CB-CB 3.7Å; C160-C171 WeakPolarHBondContact CB-SG 3.42Å; C160-C171 WeakPolarHBondContact SG-CB 3.45Å; C160-C171 CovalentContact SG-SG 2.04Å; C160-C171 PolarHBondContact SG-SG 2.03Å; V163-C171 HydrophobicContact CG1-CB 4.45Å; C165-C171 VanDerWaalsContact SG-CA 3.59Å; C165-C171 PolarHBondContact SG-N 2.94Å; C171-H180 CarbonylContact C-O 3.58Å; C171-H180 WeakPolarHBondContact CA-O 3.45Å; C171-G220 VanDerWaalsContact O-CA 3.29Å; C171-G220 WeakPolarHBondContact O-CA 3.39Å |
| 172 | V | 97.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.1 | 173.4 | -58 | 0 | 0 | 0 | 0 | 110.2 | A179 H180 V182 C217 G220 | V172-A179 CarbonylContact O-C 3.57Å; V172-A179 WeakPolarHBondContact O-CA 3.06Å; V172-H180 HydrophobicContact CG2-CB 4.01Å; V172-H180 PolarHBondContact N-O 3.41Å; V172-H180 PolarHBondContact O-N 2.05Å; V172-V182 HydrophobicContact CB-CG2 4.37Å; V172-V182 HydrophobicContact CG1-CG2 3.68Å; V172-V182 HydrophobicContact CG2-CG1 3.98Å; V172-V182 HydrophobicContact CG2-CG2 3.72Å; V172-C217 WeakPolarHBondContact CG1-O 3.43Å; V172-G220 CarbonylContact C-O 3.49Å; V172-G220 VanDerWaalsContact CA-O 3.28Å; V172-G220 WeakPolarHBondContact CA-O 3.06Å |
| 173 | T | 97.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 17% | 0.172 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.3 | 171 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | S178 G220 | T173-S178 VanDerWaalsContact CA-O 3.31Å; T173-S178 WeakPolarHBondContact CA-O 3.36Å; T173-G220 PolarHBondContact N-O 3.1Å; T173-G220 PolarHBondContact OG1-O 2.89Å |
| 174 | D | 95.4 | Very high | 96.5 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | trans | -80.9 | -178.6 | 170.4 | 69.2 | 26.4 | 0 | 0 | 0 | 112.7 | T176 N177 S178 H180 | D174-T176 PolarHBondContact O-N 3.43Å; D174-T176 VanDerWaalsContact O-N 3.13Å; D174-T176 VanDerWaalsContact OD1-C 3.3Å; D174-T176 VanDerWaalsContact OD1-CA 3.22Å; D174-T176 WeakPolarHBondContact OD1-CA 3.08Å; D174-T176 WeakPolarHBondContact OD1-CB 3.35Å; D174-T176 PolarHBondContact OD1-N 3.45Å; D174-T176 PolarHBondContact OD1-OG1 3.05Å; D174-T176 PolarHBondContact OD2-OG1 3.34Å; D174-N177 WeakPolarHBondContact O-CA 3.02Å; D174-N177 PolarHBondContact O-N 3.36Å; D174-N177 PolarHBondContact OD1-N 3.45Å; D174-S178 PolarHBondContact N-O 3.01Å; D174-S178 PolarHBondContact OD1-N 2.04Å; D174-S178 WeakPolarHBondContact OD2-CB 3.21Å; D174-H180 IonicContact OD2-CD2 3.75Å; D174-H180 IonicContact OD2-CE1 2.85Å; D174-H180 IonicContact OD2-NE2 3.76Å; D174-H180 PolarHBondContact OD2-NE2 2.8Å | ||
| 175 | Q | 94.1 | Very high | 96.5 | Very high | 172 Ų | 172 | 57 Ų | 57 | 80% | 0.804 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.8 | 178.5 | 70.6 | -80.1 | 4.4 | 0 | 0 | 114.5 | ||
| 176 | T | 95.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 11.1 | 175.3 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | D174 S178 | D174-T176 PolarHBondContact O-N 3.43Å; D174-T176 VanDerWaalsContact O-N 3.13Å; D174-T176 VanDerWaalsContact OD1-C 3.3Å; D174-T176 VanDerWaalsContact OD1-CA 3.22Å; D174-T176 WeakPolarHBondContact OD1-CA 3.08Å; D174-T176 WeakPolarHBondContact OD1-CB 3.35Å; D174-T176 PolarHBondContact OD1-N 3.45Å; D174-T176 PolarHBondContact OD1-OG1 3.05Å; D174-T176 PolarHBondContact OD2-OG1 3.34Å; T176-S178 PolarHBondContact O-N 2.92Å; T176-S178 PolarHBondContact OG1-OG 2.92Å |
| 177 | N | 95.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 60.8 Ų | 60.8 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | trans | 61 | 12.3 | -171.9 | -60 | -36.3 | 0 | 0 | 0 | 114.5 | K158 D174 A179 | K158-N177 CarbonylContact C-O 2.86Å; K158-N177 WeakPolarHBondContact CA-O 3.08Å; K158-N177 WeakPolarHBondContact O-CB 3.45Å; D174-N177 WeakPolarHBondContact O-CA 3.02Å; D174-N177 PolarHBondContact O-N 3.36Å; D174-N177 PolarHBondContact OD1-N 3.45Å; N177-A179 PolarHBondContact O-N 3.17Å | ||
| 178 | S | 96.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | trans | -70.8 | 133.3 | 177.2 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | K158 T173 D174 T176 H180 | K158-S178 PolarHBondContact NZ-OG 3.37Å; T173-S178 VanDerWaalsContact CA-O 3.31Å; T173-S178 WeakPolarHBondContact CA-O 3.36Å; D174-S178 PolarHBondContact N-O 3.01Å; D174-S178 PolarHBondContact OD1-N 2.04Å; D174-S178 WeakPolarHBondContact OD2-CB 3.21Å; T176-S178 PolarHBondContact O-N 2.92Å; T176-S178 PolarHBondContact OG1-OG 2.92Å; S178-H180 PolarHBondContact O-CD2 2.83Å; S178-H180 PolarHBondContact O-NE2 3.39Å | ||
| 179 | A | 98.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y152 K157 S159 V163 V172 N177 | Y152-A179 WeakPolarHBondContact CE1-O 3.34Å; Y152-A179 PolarHBondContact OH-O 3.49Å; K157-A179 HydrophobicContact CB-CB 4.35Å; K157-A179 PolarHBondContact O-N 2.85Å; S159-A179 WeakPolarHBondContact O-CB 3.35Å; V163-A179 HydrophobicContact CG2-CB 3.87Å; V172-A179 CarbonylContact O-C 3.57Å; V172-A179 WeakPolarHBondContact O-CA 3.06Å; N177-A179 PolarHBondContact O-N 3.17Å |
| 180 | H | 97.9 | Very high | 96 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.1 | -176.3 | -57.9 | -84.6 | 0 | 0 | 0 | 110.7 | M151 C171 V172 D174 S178 V182 | M151-H180 HydrophobicContact CE-CB 4.46Å; M151-H180 VanDerWaalsContact SD-CA 3.57Å; M151-H180 HydrophobicContact SD-CB 3.9Å; C171-H180 CarbonylContact C-O 3.58Å; C171-H180 WeakPolarHBondContact CA-O 3.45Å; V172-H180 HydrophobicContact CG2-CB 4.01Å; V172-H180 PolarHBondContact N-O 3.41Å; V172-H180 PolarHBondContact O-N 2.05Å; D174-H180 IonicContact OD2-CD2 3.75Å; D174-H180 IonicContact OD2-CE1 2.85Å; D174-H180 IonicContact OD2-NE2 3.76Å; D174-H180 PolarHBondContact OD2-NE2 2.8Å; S178-H180 PolarHBondContact O-CD2 2.83Å; S178-H180 PolarHBondContact O-NE2 3.39Å; H180-V182 HydrophobicContact CB-CG1 4.28Å |
| 181 | C | 98.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.081 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.2 | 173.7 | -69.9 | 0 | 0 | 0 | 0 | 109.6 | M151 Y152 C165 H169 | M151-C181 HydrophobicContact CG-CB 3.87Å; M151-C181 PolarHBondContact SD-N 2.89Å; Y152-C181 HydrophobicContact CD1-CB 4.35Å; Y152-C181 WeakPolarHBondContact CD1-SG 2.98Å; C165-C181 WeakPolarHBondContact CA-SG 3.41Å; C165-C181 HydrophobicContact CB-CB 3.66Å; C165-C181 WeakPolarHBondContact CB-SG 3.04Å; C165-C181 VanDerWaalsContact SG-CA 3.51Å; C165-C181 WeakPolarHBondContact SG-CB 3.46Å; C165-C181 CovalentContact SG-SG 2.03Å; C165-C181 PolarHBondContact SG-SG 3.06Å; H169-C181 HydrophobicContact CB-CB 4.05Å |
| 182 | V | 96.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.297 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.1 | -173.2 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | H169 T170 V172 H180 C184 | H169-V182 CarbonylContact C-O 3.34Å; H169-V182 WeakPolarHBondContact CA-O 3.4Å; T170-V182 PolarHBondContact N-O 3.49Å; T170-V182 PolarHBondContact O-N 3.09Å; V172-V182 HydrophobicContact CB-CG2 4.37Å; V172-V182 HydrophobicContact CG1-CG2 3.68Å; V172-V182 HydrophobicContact CG2-CG1 3.98Å; V172-V182 HydrophobicContact CG2-CG2 3.72Å; H180-V182 HydrophobicContact CB-CG1 4.28Å; V182-C184 PolarHBondContact O-N 3.13Å |
| 183 | M | 96.6 | Very high | 92.6 | Very high | 101 Ų | 101 | 69.5 Ų | 69.5 | 50% | 0.498 | 41% | 0.407 | S | S | . | . | trans | -83.8 | 103.2 | 170.9 | -67.2 | -81.1 | 81.9 | 0 | 0 | 110 | T168 H169 | T168-M183 VanDerWaalsContact O-CE 3.3Å; T168-M183 WeakPolarHBondContact O-CE 3.44Å; T168-M183 WeakPolarHBondContact OG1-CE 3.3Å; H169-M183 HydrophobicContact CB-CE 3.7Å; H169-M183 VanDerWaalsContact CD2-CE 3.43Å; H169-M183 WeakPolarHBondContact CD2-CE 3.35Å; H169-M183 VanDerWaalsContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact ND1-CE 3.48Å | ||
| 184 | C | 97.2 | Very high | 91 | Very high | 10 Ų | 10 | 73.4 Ų | 73.4 | 7% | 0.068 | 44% | 0.435 | C | S | . | . | trans | -68.4 | 146 | 170.7 | -63 | 0 | 0 | 0 | 0 | 111 | T170 V182 T186 C217 F218 | T170-C184 WeakPolarHBondContact CB-SG 3.45Å; V182-C184 PolarHBondContact O-N 3.13Å; C184-T186 PolarHBondContact O-N 2.99Å; C184-C217 WeakPolarHBondContact CA-SG 3.29Å; C184-C217 HydrophobicContact CB-CB 3.88Å; C184-C217 WeakPolarHBondContact CB-SG 3.35Å; C184-C217 WeakPolarHBondContact SG-CB 3.44Å; C184-C217 CovalentContact SG-SG 2.03Å; C184-C217 PolarHBondContact SG-SG 3.31Å; C184-F218 HydrophobicContact CB-CD1 4.14Å; C184-F218 HydrophobicContact CB-CD2 4.31Å; C184-F218 HydrophobicContact CB-CE1 3.69Å; C184-F218 HydrophobicContact CB-CE2 3.86Å; C184-F218 HydrophobicContact CB-CG 4.42Å; C184-F218 HydrophobicContact CB-CZ 3.53Å | ||
| 185 | R | 95.6 | Very high | 89.5 | Confident | 112 Ų | 112 | 75 Ų | 75 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | trans | -64.8 | 110.1 | 176.6 | -173.1 | -174.5 | 175.5 | 95.5 | -1.8 | 110.4 | S187 P188 R214 | R185-S187 WeakPolarHBondContact CG-O 3.19Å; R185-S187 VanDerWaalsContact CZ-OG 3.22Å; R185-S187 PolarHBondContact NE-O 3.31Å; R185-S187 VanDerWaalsContact NE-O 3.12Å; R185-S187 PolarHBondContact NE-OG 3.35Å; R185-S187 PolarHBondContact NH2-OG 2.91Å; R185-P188 PolarHBondContact NE-O 3.36Å; R185-P188 PolarHBondContact NH2-O 3.43Å; R185-R214 WeakPolarHBondContact O-CD 3.28Å; R185-R214 WeakPolarHBondContact O-CG 3.38Å; R185-R214 PolarHBondContact O-NE 2.93Å; R185-R214 VanDerWaalsContact O-NE 3.09Å | ||
| 186 | T | 94 | Very high | 88.9 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 68% | 0.681 | 43% | 0.429 | S | S | * | . | trans | -88.6 | -29.8 | 173.9 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | C184 F218 | C184-T186 PolarHBondContact O-N 2.99Å; T186-F218 HydrophobicContact CG2-CZ 4.4Å | ||
| 187 | S | 94.9 | Very high | 88.8 | Confident | 54 Ų | 54 | 73 Ų | 73 | 38% | 0.378 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -65 | 144.2 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | R185 | R185-S187 WeakPolarHBondContact CG-O 3.19Å; R185-S187 VanDerWaalsContact CZ-OG 3.22Å; R185-S187 PolarHBondContact NE-O 3.31Å; R185-S187 VanDerWaalsContact NE-O 3.12Å; R185-S187 PolarHBondContact NE-OG 3.35Å; R185-S187 PolarHBondContact NH2-OG 2.91Å |
| 188 | P | 93.9 | Very high | 88.8 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 69% | 0.688 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 144.1 | 177 | -26.6 | 34.8 | 0 | 0 | 0 | 112.1 | R185 | R185-P188 PolarHBondContact NE-O 3.36Å; R185-P188 PolarHBondContact NH2-O 3.43Å |
| 189 | C | 93.2 | Very high | 88.7 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 142.8 | 172.9 | -76.1 | 0 | 0 | 0 | 0 | 109.6 | V191 C210 H211 | C189-V191 PolarHBondContact O-N 2.9Å; C189-C210 VanDerWaalsContact CA-SG 3.56Å; C189-C210 HydrophobicContact CB-CB 3.75Å; C189-C210 WeakPolarHBondContact CB-SG 3.36Å; C189-C210 WeakPolarHBondContact SG-CB 3.26Å; C189-C210 CovalentContact SG-SG 2.05Å; C189-C210 PolarHBondContact SG-SG 3.47Å; C189-H211 WeakPolarHBondContact CB-CE1 3.29Å |
| 190 | P | 91.8 | Very high | 88.7 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 135.4 | 175.5 | -21.8 | 33.1 | 0 | 0 | 0 | 110.9 | V192 | P190-V192 HydrophobicContact CB-CG1 4.39Å; P190-V192 PolarHBondContact O-N 3.39Å |
| 191 | V | 80.5 | Confident | 88.7 | Confident | 143 Ų | 143 | 69.5 Ų | 69.5 | 87% | 0.867 | 41% | 0.407 | S | S | * | . | trans | -93.3 | 82.5 | 175 | -169.9 | 0 | 0 | 0 | 0 | 107.3 | C189 | C189-V191 PolarHBondContact O-N 2.9Š| ||
| 192 | V | 77.3 | Confident | 88.7 | Confident | 79 Ų | 79 | 71.9 Ų | 71.9 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | trans | -95.8 | 137.5 | 173.8 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | P190 S194 E195 | P190-V192 HydrophobicContact CB-CG1 4.39Å; P190-V192 PolarHBondContact O-N 3.39Å; V192-S194 PolarHBondContact O-N 2.93Å; V192-E195 HydrophobicContact CB-CG 4.43Å; V192-E195 HydrophobicContact CG2-CG 3.14Å; V192-E195 PolarHBondContact O-N 3.5Å | ||
| 193 | A | 63.4 | Low | 88.7 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 100% | 1 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 194 | S | 64 | Low | 88.7 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 77% | 0.769 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | 24.2 | -176.7 | 87.7 | 0 | 0 | 0 | 0 | 114.4 | V192 Q196 | V192-S194 PolarHBondContact O-N 2.93Å; S194-Q196 PolarHBondContact O-N 2.99Å |
| 195 | E | 64.5 | Low | 88.7 | Confident | 74 Ų | 74 | 74.8 Ų | 74.8 | 35% | 0.346 | 44% | 0.435 | S | S | . | . | trans | -73.8 | 117.6 | 176.6 | -58.8 | -142.1 | 105.4 | 0 | 0 | 111 | V192 Q197 S208 | V192-E195 HydrophobicContact CB-CG 4.43Å; V192-E195 HydrophobicContact CG2-CG 3.14Å; V192-E195 PolarHBondContact O-N 3.5Å; E195-Q197 PolarHBondContact O-N 2.87Å; E195-S208 WeakPolarHBondContact OE2-CB 3.34Å; E195-S208 PolarHBondContact OE2-OG 3.44Å | ||
| 196 | Q | 82.3 | Confident | 88.7 | Confident | 117 Ų | 117 | 70.7 Ų | 70.7 | 55% | 0.547 | 42% | 0.419 | S | S | . | . | trans | -68.2 | 115.9 | 173 | -168.7 | 168.8 | 0.6 | 0 | 0 | 108 | S194 | S194-Q196 PolarHBondContact O-N 2.99Š| ||
| 197 | Q | 92.3 | Very high | 88.7 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | trans | -51.7 | 152.8 | 173.3 | -69.2 | -179.7 | -35.7 | 0 | 0 | 110.7 | E195 T205 Y206 G229 | E195-Q197 PolarHBondContact O-N 2.87Å; Q197-T205 HydrophobicContact CB-CG2 4.05Å; Q197-T205 HydrophobicContact CG-CG2 4.39Å; Q197-Y206 WeakPolarHBondContact CA-O 3.48Å; Q197-G229 WeakPolarHBondContact O-CA 3.33Å; Q197-G229 PolarHBondContact O-N 3.07Å | ||
| 198 | I | 94.8 | Very high | 88.6 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.046 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.9 | -178.8 | -57.4 | 175.4 | 0 | 0 | 0 | 109.2 | T205 Y206 A209 L212 V225 Y228 G229 | I198-T205 CarbonylContact O-C 3.59Å; I198-T205 WeakPolarHBondContact O-CA 3.39Å; I198-Y206 PolarHBondContact N-O 3.15Å; I198-Y206 PolarHBondContact O-N 2.88Å; I198-A209 HydrophobicContact CD1-CB 3.88Å; I198-L212 HydrophobicContact CD1-CD2 4.48Å; I198-L212 HydrophobicContact CG2-CD2 3.9Å; I198-V225 HydrophobicContact CG2-CB 4.29Å; I198-V225 HydrophobicContact CG2-CG1 3.71Å; I198-V225 HydrophobicContact CG2-CG2 3.87Å; I198-Y228 HydrophobicContact CD1-CE1 4.39Å; I198-Y228 HydrophobicContact CG1-CD1 4.08Å; I198-Y228 HydrophobicContact CG1-CE1 4.37Å; I198-G229 CarbonylContact C-O 3.43Å |
| 199 | C | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.6 | 167.7 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | R226 H227 G229 C231 | C199-R226 WeakPolarHBondContact O-CB 3.1Å; C199-R226 PolarHBondContact O-N 3.19Å; C199-H227 PolarHBondContact N-O 2.59Å; C199-H227 PolarHBondContact O-N 3.15Å; C199-G229 PolarHBondContact N-O 3.33Å; C199-G229 VanDerWaalsContact N-O 3.1Å; C199-C231 WeakPolarHBondContact CA-SG 3.36Å; C199-C231 HydrophobicContact CB-CB 3.91Å; C199-C231 WeakPolarHBondContact CB-SG 2.7Å; C199-C231 WeakPolarHBondContact SG-CA 3Å; C199-C231 WeakPolarHBondContact SG-CB 3.34Å; C199-C231 CovalentContact SG-SG 2.04Å; C199-C231 PolarHBondContact SG-SG 2.04Å |
| 200 | G | 97.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 163.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D202 N203 I204 G224 | G200-D202 VanDerWaalsContact C-OD1 3.3Å; G200-D202 VanDerWaalsContact CA-OD1 3.3Å; G200-D202 WeakPolarHBondContact CA-OD1 3.31Å; G200-D202 PolarHBondContact O-N 3.36Å; G200-N203 PolarHBondContact O-N 3.46Å; G200-N203 VanDerWaalsContact O-N 3.07Å; G200-I204 PolarHBondContact N-O 3.39Å; G200-G224 WeakPolarHBondContact CA-O 3.37Å |
| 201 | N | 97.6 | Very high | 88.9 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.5 | 173.9 | -66.7 | -42.4 | 0 | 0 | 0 | 113.3 | N203 I223 G224 R226 | N201-N203 PolarHBondContact O-N 2.91Å; N201-I223 VanDerWaalsContact CB-O 3.31Å; N201-I223 WeakPolarHBondContact CB-O 3.44Å; N201-I223 PolarHBondContact ND2-O 2.73Å; N201-G224 PolarHBondContact N-O 3.34Å; N201-G224 VanDerWaalsContact N-O 3.14Å; N201-R226 PolarHBondContact O-NH2 3.3Å; N201-R226 WeakPolarHBondContact OD1-CA 3.41Å; N201-R226 WeakPolarHBondContact OD1-CB 3.25Å |
| 202 | D | 97.4 | Very high | 89.7 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 3.4 | 169.8 | 61.2 | -5.6 | 0 | 0 | 0 | 113.8 | G200 I204 Y206 I223 | G200-D202 VanDerWaalsContact C-OD1 3.3Å; G200-D202 VanDerWaalsContact CA-OD1 3.3Å; G200-D202 WeakPolarHBondContact CA-OD1 3.31Å; G200-D202 PolarHBondContact O-N 3.36Å; D202-I204 HydrophobicContact CB-CG1 4.45Å; D202-I204 PolarHBondContact O-N 3.16Å; D202-I204 PolarHBondContact OD1-N 2.88Å; D202-I204 VanDerWaalsContact OD1-N 3.08Å; D202-Y206 PolarHBondContact OD2-OH 3.33Å; D202-I223 HydrophobicContact CB-CG2 3.99Å; D202-I223 VanDerWaalsContact CG-CG2 3.46Å; D202-I223 WeakPolarHBondContact OD2-CG2 3.33Å |
| 203 | N | 97.1 | Very high | 90.6 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 66.1 | 19.4 | -177.7 | -151.4 | 40.4 | 0 | 0 | 0 | 113.9 | G200 N201 R226 C231 | G200-N203 PolarHBondContact O-N 3.46Å; G200-N203 VanDerWaalsContact O-N 3.07Å; N201-N203 PolarHBondContact O-N 2.91Å; N203-R226 PolarHBondContact OD1-NH1 2.72Å; N203-C231 VanDerWaalsContact C-SG 3.55Å |
| 204 | I | 97.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 63.2 Ų | 63.2 | 45% | 0.451 | 32% | 0.316 | S | S | . | . | trans | -100.4 | 136.2 | 176.8 | -60 | -179.8 | 0 | 0 | 0 | 109.5 | G200 D202 Y206 C231 | G200-I204 PolarHBondContact N-O 3.39Å; D202-I204 HydrophobicContact CB-CG1 4.45Å; D202-I204 PolarHBondContact O-N 3.16Å; D202-I204 PolarHBondContact OD1-N 2.88Å; D202-I204 VanDerWaalsContact OD1-N 3.08Å; I204-Y206 HydrophobicContact CB-CE2 3.83Å; I204-Y206 HydrophobicContact CG2-CD2 4.4Å; I204-Y206 HydrophobicContact CG2-CE1 4.25Å; I204-Y206 HydrophobicContact CG2-CE2 3.94Å; I204-Y206 WeakPolarHBondContact O-CD2 3.37Å; I204-C231 VanDerWaalsContact C-SG 3.56Å | ||
| 205 | T | 96.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 115.2 | 172.1 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | Q197 I198 H230 C231 | Q197-T205 HydrophobicContact CB-CG2 4.05Å; Q197-T205 HydrophobicContact CG-CG2 4.39Å; I198-T205 CarbonylContact O-C 3.59Å; I198-T205 WeakPolarHBondContact O-CA 3.39Å; T205-H230 WeakPolarHBondContact CB-ND1 3.35Å; T205-H230 HydrophobicContact CG2-CB 4.24Å; T205-H230 PolarHBondContact OG1-CE1 3.04Å; T205-H230 PolarHBondContact OG1-ND1 3.28Å; T205-C231 PolarHBondContact OG1-N 3.49Å; T205-C231 PolarHBondContact OG1-SG 3.37Å |
| 206 | Y | 95.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.1 | 175.3 | -65.1 | -84.7 | 0 | 0 | 0 | 109.7 | Q197 I198 D202 I204 S208 H211 L212 A215 I223 | Q197-Y206 WeakPolarHBondContact CA-O 3.48Å; I198-Y206 PolarHBondContact N-O 3.15Å; I198-Y206 PolarHBondContact O-N 2.88Å; D202-Y206 PolarHBondContact OD2-OH 3.33Å; I204-Y206 HydrophobicContact CB-CE2 3.83Å; I204-Y206 HydrophobicContact CG2-CD2 4.4Å; I204-Y206 HydrophobicContact CG2-CE1 4.25Å; I204-Y206 HydrophobicContact CG2-CE2 3.94Å; I204-Y206 WeakPolarHBondContact O-CD2 3.37Å; Y206-S208 PolarHBondContact O-N 3.42Å; Y206-H211 HydrophobicContact CD1-CB 4.29Å; Y206-L212 HydrophobicContact CD1-CB 4.16Å; Y206-L212 HydrophobicContact CD1-CD1 4.46Å; Y206-L212 HydrophobicContact CD2-CB 4.12Å; Y206-L212 HydrophobicContact CD2-CD1 3.52Å; Y206-L212 HydrophobicContact CD2-CG 4.35Å; Y206-L212 HydrophobicContact CE1-CD1 4.41Å; Y206-L212 HydrophobicContact CE2-CD1 3.46Å; Y206-L212 VanDerWaalsContact CE2-CD1 3.46Å; Y206-L212 HydrophobicContact CG-CB 3.79Å; Y206-L212 HydrophobicContact CG-CD1 4.03Å; Y206-L212 HydrophobicContact CG-CG 4.5Å; Y206-A215 HydrophobicContact CD1-CB 4.37Å; Y206-A215 HydrophobicContact CE1-CB 3.45Å; Y206-A215 VanDerWaalsContact CE1-CB 3.45Å; Y206-I223 WeakPolarHBondContact OH-CD1 3.46Å |
| 207 | Q | 94.1 | Very high | 96.2 | Very high | 132 Ų | 132 | 52.9 Ų | 52.9 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -60 | -28.5 | 178 | -63.9 | 179.4 | 18.8 | 0 | 0 | 111.7 | ||
| 208 | S | 93.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -164 | 177.3 | 174.8 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | E195 Y206 C210 H211 L212 | E195-S208 WeakPolarHBondContact OE2-CB 3.34Å; E195-S208 PolarHBondContact OE2-OG 3.44Å; Y206-S208 PolarHBondContact O-N 3.42Å; S208-C210 VanDerWaalsContact C-N 3.26Å; S208-C210 PolarHBondContact O-N 3.23Å; S208-C210 PolarHBondContact OG-N 3.01Å; S208-H211 PolarHBondContact O-N 2.91Å; S208-H211 VanDerWaalsContact O-N 3.15Å; S208-H211 PolarHBondContact OG-ND1 2.87Å; S208-L212 PolarHBondContact O-N 2.82Å |
| 209 | A | 94 | Very high | 96.6 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.1 | -34.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | I198 L212 R213 | I198-A209 HydrophobicContact CD1-CB 3.88Å; A209-L212 PolarHBondContact O-N 3.43Å; A209-R213 WeakPolarHBondContact O-CB 3.22Å; A209-R213 VanDerWaalsContact O-CG 3.26Å; A209-R213 WeakPolarHBondContact O-CG 3.36Å; A209-R213 PolarHBondContact O-N 2.86Å |
| 210 | C | 95.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | C189 S208 R213 R214 | C189-C210 VanDerWaalsContact CA-SG 3.56Å; C189-C210 HydrophobicContact CB-CB 3.75Å; C189-C210 WeakPolarHBondContact CB-SG 3.36Å; C189-C210 WeakPolarHBondContact SG-CB 3.26Å; C189-C210 CovalentContact SG-SG 2.05Å; C189-C210 PolarHBondContact SG-SG 3.47Å; S208-C210 VanDerWaalsContact C-N 3.26Å; S208-C210 PolarHBondContact O-N 3.23Å; S208-C210 PolarHBondContact OG-N 3.01Å; C210-R213 PolarHBondContact O-N 3.43Å; C210-R214 VanDerWaalsContact O-CB 3.29Å; C210-R214 WeakPolarHBondContact O-CB 3.38Å; C210-R214 PolarHBondContact O-N 3.26Å |
| 211 | H | 95.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 21% | 0.213 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 179.6 | -66.1 | 91 | 0 | 0 | 0 | 112 | C189 Y206 S208 R214 A215 | C189-H211 WeakPolarHBondContact CB-CE1 3.29Å; Y206-H211 HydrophobicContact CD1-CB 4.29Å; S208-H211 PolarHBondContact O-N 2.91Å; S208-H211 VanDerWaalsContact O-N 3.15Å; S208-H211 PolarHBondContact OG-ND1 2.87Å; H211-R214 PolarHBondContact O-N 2.75Å; H211-A215 WeakPolarHBondContact O-CB 3.42Å; H211-A215 PolarHBondContact O-N 2.78Å |
| 212 | L | 96.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.3 | 175.6 | 64.3 | 0 | 0 | 0 | 111.9 | I198 Y206 S208 A209 R214 A215 T216 I223 V225 | I198-L212 HydrophobicContact CD1-CD2 4.48Å; I198-L212 HydrophobicContact CG2-CD2 3.9Å; Y206-L212 HydrophobicContact CD1-CB 4.16Å; Y206-L212 HydrophobicContact CD1-CD1 4.46Å; Y206-L212 HydrophobicContact CD2-CB 4.12Å; Y206-L212 HydrophobicContact CD2-CD1 3.52Å; Y206-L212 HydrophobicContact CD2-CG 4.35Å; Y206-L212 HydrophobicContact CE1-CD1 4.41Å; Y206-L212 HydrophobicContact CE2-CD1 3.46Å; Y206-L212 VanDerWaalsContact CE2-CD1 3.46Å; Y206-L212 HydrophobicContact CG-CB 3.79Å; Y206-L212 HydrophobicContact CG-CD1 4.03Å; Y206-L212 HydrophobicContact CG-CG 4.5Å; S208-L212 PolarHBondContact O-N 2.82Å; A209-L212 PolarHBondContact O-N 3.43Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.13Å; L212-A215 PolarHBondContact O-N 3.23Å; L212-T216 WeakPolarHBondContact O-CB 3.47Å; L212-T216 PolarHBondContact O-N 3.24Å; L212-T216 PolarHBondContact O-OG1 2.6Å; L212-I223 HydrophobicContact CD1-CB 4.19Å; L212-I223 HydrophobicContact CD1-CD1 4.35Å; L212-I223 HydrophobicContact CD1-CG2 4.09Å; L212-V225 HydrophobicContact CD2-CG2 3.64Å |
| 213 | R | 96.9 | Very high | 96.5 | Very high | 189 Ų | 189 | 60.5 Ų | 60.5 | 71% | 0.713 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 178.5 | -74.6 | 174.5 | -179.7 | 168.8 | 0.9 | 111.9 | A209 C210 T216 C217 | A209-R213 WeakPolarHBondContact O-CB 3.22Å; A209-R213 VanDerWaalsContact O-CG 3.26Å; A209-R213 WeakPolarHBondContact O-CG 3.36Å; A209-R213 PolarHBondContact O-N 2.86Å; C210-R213 PolarHBondContact O-N 3.43Å; R213-T216 PolarHBondContact O-N 3.17Å; R213-C217 WeakPolarHBondContact O-CB 3.48Å; R213-C217 PolarHBondContact O-N 2.97Å |
| 214 | R | 97.2 | Very high | 96.5 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 176.3 | -174.7 | 177.1 | 176.3 | -139.8 | -4.7 | 110.9 | R185 C210 H211 L212 C217 F218 | R185-R214 WeakPolarHBondContact O-CD 3.28Å; R185-R214 WeakPolarHBondContact O-CG 3.38Å; R185-R214 PolarHBondContact O-NE 2.93Å; R185-R214 VanDerWaalsContact O-NE 3.09Å; C210-R214 VanDerWaalsContact O-CB 3.29Å; C210-R214 WeakPolarHBondContact O-CB 3.38Å; C210-R214 PolarHBondContact O-N 3.26Å; H211-R214 PolarHBondContact O-N 2.75Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.13Å; R214-C217 PolarHBondContact O-N 2.76Å; R214-F218 HydrophobicContact CG-CD2 3.92Å; R214-F218 HydrophobicContact CG-CE2 3.72Å; R214-F218 WeakPolarHBondContact O-CD2 3.31Å; R214-F218 PolarHBondContact O-N 3.14Å; R214-F218 VanDerWaalsContact O-N 3.13Å |
| 215 | A | 97.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y206 H211 L212 C217 F218 L219 I223 | Y206-A215 HydrophobicContact CD1-CB 4.37Å; Y206-A215 HydrophobicContact CE1-CB 3.45Å; Y206-A215 VanDerWaalsContact CE1-CB 3.45Å; H211-A215 WeakPolarHBondContact O-CB 3.42Å; H211-A215 PolarHBondContact O-N 2.78Å; L212-A215 PolarHBondContact O-N 3.23Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 2.55Å; A215-F218 PolarHBondContact O-N 3Å; A215-L219 VanDerWaalsContact O-CB 3.25Å; A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 3.46Å; A215-I223 HydrophobicContact CB-CD1 4.12Å |
| 216 | T | 98.2 | Very high | 96.4 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | L212 R213 L219 G220 H221 | L212-T216 WeakPolarHBondContact O-CB 3.47Å; L212-T216 PolarHBondContact O-N 3.24Å; L212-T216 PolarHBondContact O-OG1 2.6Å; R213-T216 PolarHBondContact O-N 3.17Å; T216-L219 PolarHBondContact O-N 2.75Å; T216-G220 PolarHBondContact O-N 2.96Å; T216-G220 VanDerWaalsContact O-N 3.15Å; T216-H221 WeakPolarHBondContact CG2-O 3.01Å |
| 217 | C | 98.3 | Very high | 96.3 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 179.6 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | T170 V172 C184 R213 R214 A215 L219 G220 | T170-C217 WeakPolarHBondContact CG2-O 3.3Å; V172-C217 WeakPolarHBondContact CG1-O 3.43Å; C184-C217 WeakPolarHBondContact CA-SG 3.29Å; C184-C217 HydrophobicContact CB-CB 3.88Å; C184-C217 WeakPolarHBondContact CB-SG 3.35Å; C184-C217 WeakPolarHBondContact SG-CB 3.44Å; C184-C217 CovalentContact SG-SG 2.03Å; C184-C217 PolarHBondContact SG-SG 3.31Å; R213-C217 WeakPolarHBondContact O-CB 3.48Å; R213-C217 PolarHBondContact O-N 2.97Å; R214-C217 PolarHBondContact O-N 2.76Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 2.55Å; C217-L219 VanDerWaalsContact C-N 3.28Å; C217-L219 PolarHBondContact O-N 2.9Å; C217-G220 PolarHBondContact O-N 3.08Å |
| 218 | F | 97.2 | Very high | 96.2 | Very high | 101 Ų | 101 | 60.2 Ų | 60.2 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70 | -24.8 | 178 | -73.4 | -65.3 | 0 | 0 | 0 | 113.5 | C184 T186 R214 A215 G220 | C184-F218 HydrophobicContact CB-CD1 4.14Å; C184-F218 HydrophobicContact CB-CD2 4.31Å; C184-F218 HydrophobicContact CB-CE1 3.69Å; C184-F218 HydrophobicContact CB-CE2 3.86Å; C184-F218 HydrophobicContact CB-CG 4.42Å; C184-F218 HydrophobicContact CB-CZ 3.53Å; T186-F218 HydrophobicContact CG2-CZ 4.4Å; R214-F218 HydrophobicContact CG-CD2 3.92Å; R214-F218 HydrophobicContact CG-CE2 3.72Å; R214-F218 WeakPolarHBondContact O-CD2 3.31Å; R214-F218 PolarHBondContact O-N 3.14Å; R214-F218 VanDerWaalsContact O-N 3.13Å; A215-F218 PolarHBondContact O-N 3Å; F218-G220 VanDerWaalsContact C-N 3.31Å |
| 219 | L | 97.4 | Very high | 96.2 | Very high | 86 Ų | 86 | 61 Ų | 61 | 45% | 0.45 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.1 | -25.7 | 172.8 | -177.2 | 63.8 | 0 | 0 | 0 | 112.5 | A215 T216 C217 H221 I223 | A215-L219 VanDerWaalsContact O-CB 3.25Å; A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 3.46Å; T216-L219 PolarHBondContact O-N 2.75Å; C217-L219 VanDerWaalsContact C-N 3.28Å; C217-L219 PolarHBondContact O-N 2.9Å; L219-H221 VanDerWaalsContact C-N 3.33Å; L219-H221 VanDerWaalsContact CG-CE1 3.41Å; L219-H221 WeakPolarHBondContact CG-CE1 3.44Å; L219-H221 PolarHBondContact O-N 3.39Å; L219-H221 PolarHBondContact O-ND1 3.29Å; L219-I223 HydrophobicContact CD2-CD1 3.87Å; L219-I223 HydrophobicContact CD2-CG1 3.38Å |
| 220 | G | 97 | Very high | 96.2 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 0.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C171 V172 T173 T216 C217 F218 | C171-G220 VanDerWaalsContact O-CA 3.29Å; C171-G220 WeakPolarHBondContact O-CA 3.39Å; V172-G220 CarbonylContact C-O 3.49Å; V172-G220 VanDerWaalsContact CA-O 3.28Å; V172-G220 WeakPolarHBondContact CA-O 3.06Å; T173-G220 PolarHBondContact N-O 3.1Å; T173-G220 PolarHBondContact OG1-O 2.89Å; T216-G220 PolarHBondContact O-N 2.96Å; T216-G220 VanDerWaalsContact O-N 3.15Å; C217-G220 PolarHBondContact O-N 3.08Å; F218-G220 VanDerWaalsContact C-N 3.31Å |
| 221 | H | 96.3 | Very high | 96.1 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -154.7 | 162.9 | 175.3 | 63.6 | -84.2 | 0 | 0 | 0 | 111.6 | T216 L219 I223 | T216-H221 WeakPolarHBondContact CG2-O 3.01Å; L219-H221 VanDerWaalsContact C-N 3.33Å; L219-H221 VanDerWaalsContact CG-CE1 3.41Å; L219-H221 WeakPolarHBondContact CG-CE1 3.44Å; L219-H221 PolarHBondContact O-N 3.39Å; L219-H221 PolarHBondContact O-ND1 3.29Å; H221-I223 PolarHBondContact O-N 2.84Å |
| 222 | S | 96.9 | Very high | 96 | Very high | 91 Ų | 91 | 66.8 Ų | 66.8 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | trans | -62 | 116.9 | -176.5 | -66.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 223 | I | 97.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 68.9 Ų | 68.9 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | trans | -73.1 | -47.5 | 166.1 | -60.1 | 174.4 | 0 | 0 | 0 | 109.5 | N201 D202 Y206 L212 A215 L219 H221 | N201-I223 VanDerWaalsContact CB-O 3.31Å; N201-I223 WeakPolarHBondContact CB-O 3.44Å; N201-I223 PolarHBondContact ND2-O 2.73Å; D202-I223 HydrophobicContact CB-CG2 3.99Å; D202-I223 VanDerWaalsContact CG-CG2 3.46Å; D202-I223 WeakPolarHBondContact OD2-CG2 3.33Å; Y206-I223 WeakPolarHBondContact OH-CD1 3.46Å; L212-I223 HydrophobicContact CD1-CB 4.19Å; L212-I223 HydrophobicContact CD1-CD1 4.35Å; L212-I223 HydrophobicContact CD1-CG2 4.09Å; A215-I223 HydrophobicContact CB-CD1 4.12Å; L219-I223 HydrophobicContact CD2-CD1 3.87Å; L219-I223 HydrophobicContact CD2-CG1 3.38Å; H221-I223 PolarHBondContact O-N 2.84Å | ||
| 224 | G | 95.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | trans | 76.1 | 157.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G200 N201 | G200-G224 WeakPolarHBondContact CA-O 3.37Å; N201-G224 PolarHBondContact N-O 3.34Å; N201-G224 VanDerWaalsContact N-O 3.14Å | ||
| 225 | V | 96.6 | Very high | 93.4 | Very high | 65 Ų | 65 | 65 Ų | 65 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 109 | I198 L212 | I198-V225 HydrophobicContact CG2-CB 4.29Å; I198-V225 HydrophobicContact CG2-CG1 3.71Å; I198-V225 HydrophobicContact CG2-CG2 3.87Å; L212-V225 HydrophobicContact CD2-CG2 3.64Å |
| 226 | R | 95.7 | Very high | 91.8 | Very high | 108 Ų | 108 | 74.2 Ų | 74.2 | 41% | 0.408 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -53.2 | 169.3 | -168.5 | -174.1 | -68.2 | 161.5 | -1 | 110.8 | C199 N201 N203 | C199-R226 WeakPolarHBondContact O-CB 3.1Å; C199-R226 PolarHBondContact O-N 3.19Å; N201-R226 PolarHBondContact O-NH2 3.3Å; N201-R226 WeakPolarHBondContact OD1-CA 3.41Å; N201-R226 WeakPolarHBondContact OD1-CB 3.25Å; N203-R226 PolarHBondContact OD1-NH1 2.72Å |
| 227 | H | 93.8 | Very high | 89.8 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 15% | 0.148 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 164.1 | 172 | 62.9 | 90.5 | 0 | 0 | 0 | 110.9 | C199 H230 | C199-H227 PolarHBondContact N-O 2.59Å; C199-H227 PolarHBondContact O-N 3.15Å; H227-H230 PolarHBondContact CE1-O 2.78Å; H227-H230 VanDerWaalsContact CE1-O 3.31Å |
| 228 | Y | 92.9 | Very high | 87.8 | Confident | 139 Ų | 139 | 83.8 Ų | 83.8 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 150.6 | 171.8 | -63.8 | -83.4 | 0 | 0 | 0 | 111.3 | I198 | I198-Y228 HydrophobicContact CD1-CE1 4.39Å; I198-Y228 HydrophobicContact CG1-CD1 4.08Å; I198-Y228 HydrophobicContact CG1-CE1 4.37Å |
| 229 | G | 92.1 | Very high | 85.6 | Confident | 18 Ų | 18 | 87.3 Ų | 87.3 | 19% | 0.186 | 47% | 0.468 | C | S | . | . | S | Bend | trans | 92.4 | -176 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q197 I198 C199 | Q197-G229 WeakPolarHBondContact O-CA 3.33Å; Q197-G229 PolarHBondContact O-N 3.07Å; I198-G229 CarbonylContact C-O 3.43Å; C199-G229 PolarHBondContact N-O 3.33Å; C199-G229 VanDerWaalsContact N-O 3.1Å |
| 230 | H | 94.1 | Very high | 83.2 | Confident | 75 Ų | 75 | 92.1 Ų | 92.1 | 35% | 0.347 | 49% | 0.485 | S | S | . | . | trans | -69.9 | 141.6 | 176.2 | -167.5 | 1.6 | 0 | 0 | 0 | 110.6 | T205 H227 N232 S233 | T205-H230 WeakPolarHBondContact CB-ND1 3.35Å; T205-H230 HydrophobicContact CG2-CB 4.24Å; T205-H230 PolarHBondContact OG1-CE1 3.04Å; T205-H230 PolarHBondContact OG1-ND1 3.28Å; H227-H230 PolarHBondContact CE1-O 2.78Å; H227-H230 VanDerWaalsContact CE1-O 3.31Å; H230-N232 PolarHBondContact O-N 3.48Å; H230-S233 VanDerWaalsContact O-CB 3.24Å; H230-S233 WeakPolarHBondContact O-CB 3.24Å; H230-S233 PolarHBondContact O-N 2.84Å; H230-S233 PolarHBondContact O-OG 3.31Å | ||
| 231 | C | 94.9 | Very high | 80.7 | Confident | 18 Ų | 18 | 101.1 Ų | 101.1 | 12% | 0.122 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -26.4 | 179.9 | -69 | 0 | 0 | 0 | 0 | 115.3 | C199 N203 I204 T205 | C199-C231 WeakPolarHBondContact CA-SG 3.36Å; C199-C231 HydrophobicContact CB-CB 3.91Å; C199-C231 WeakPolarHBondContact CB-SG 2.7Å; C199-C231 WeakPolarHBondContact SG-CA 3Å; C199-C231 WeakPolarHBondContact SG-CB 3.34Å; C199-C231 CovalentContact SG-SG 2.04Å; C199-C231 PolarHBondContact SG-SG 2.04Å; N203-C231 VanDerWaalsContact C-SG 3.55Å; I204-C231 VanDerWaalsContact C-SG 3.56Å; T205-C231 PolarHBondContact OG1-N 3.49Å; T205-C231 PolarHBondContact OG1-SG 3.37Å |
| 232 | N | 93.4 | Very high | 78.2 | Confident | 137 Ų | 137 | 107.8 Ų | 107.8 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.2 | 177.5 | -63.3 | -24 | 0 | 0 | 0 | 113.3 | H230 | H230-N232 PolarHBondContact O-N 3.48Š|
| 233 | S | 86.4 | Confident | 75.4 | Confident | 56 Ų | 56 | 109.2 Ų | 109.2 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -79.9 | 142.5 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | H230 | H230-S233 VanDerWaalsContact O-CB 3.24Å; H230-S233 WeakPolarHBondContact O-CB 3.24Å; H230-S233 PolarHBondContact O-N 2.84Å; H230-S233 PolarHBondContact O-OG 3.31Å |
| 234 | P | 78.4 | Confident | 72.7 | Confident | 106 Ų | 106 | 113.8 Ų | 113.8 | 69% | 0.688 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.4 | 171.1 | 25.2 | -32.7 | 0 | 0 | 0 | 109.7 | R236 | P234-R236 PolarHBondContact O-N 3.05Š|
| 235 | P | 70.1 | Confident | 70.4 | Confident | 95 Ų | 95 | 121.8 Ų | 121.8 | 62% | 0.617 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 118 | 178.6 | 21.5 | -29.8 | 0 | 0 | 0 | 108.8 | N237 | P235-N237 PolarHBondContact O-N 2.91Å; P235-N237 VanDerWaalsContact O-N 3.11Å |
| 236 | R | 63.9 | Low | 67.8 | Low | 223 Ų | 223 | 127.4 Ų | 127.4 | 84% | 0.842 | 63% | 0.633 | S | S | * | * | trans | -67.7 | 113.2 | 173.8 | -73.6 | -170.5 | -172.6 | -167.2 | 2.9 | 107.6 | P234 S238 | P234-R236 PolarHBondContact O-N 3.05Å; R236-S238 PolarHBondContact O-N 3.11Å; R236-S238 VanDerWaalsContact O-N 3.11Å | ||
| 237 | N | 57.5 | Low | 65.4 | Low | 139 Ų | 139 | 130.3 Ų | 130.3 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | -51.9 | 118.2 | 167.7 | -92 | -17.7 | 0 | 0 | 0 | 108.9 | P235 H239 | P235-N237 PolarHBondContact O-N 2.91Å; P235-N237 VanDerWaalsContact O-N 3.11Å; N237-H239 PolarHBondContact O-N 3.11Å | ||
| 238 | S | 56.2 | Low | 63 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 15.5 | 177.3 | 46.5 | 0 | 0 | 0 | 0 | 114 | R236 | R236-S238 PolarHBondContact O-N 3.11Å; R236-S238 VanDerWaalsContact O-N 3.11Å |
| 239 | H | 50.4 | Low | 60.6 | Low | 175 Ų | 175 | 137.2 Ų | 137.2 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 10.2 | -178.7 | -85.3 | -67.4 | 0 | 0 | 0 | 115 | N237 | N237-H239 PolarHBondContact O-N 3.11Š|
| 240 | K | 46.2 | Very low | 59.1 | Low | 186 Ų | 186 | 143.2 Ų | 143.2 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -126.9 | 33 | -177.5 | -136.3 | 179.2 | -173.3 | -178.5 | 0 | 115.6 | ||
| 241 | F | 44.9 | Very low | 57.2 | Low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -119.6 | 21.2 | 168.3 | -147.5 | -95.3 | 0 | 0 | 0 | 113.3 | ||
| 242 | R | 43.3 | Very low | 55.1 | Low | 239 Ų | 239 | 153.9 Ų | 153.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -132.7 | 39.2 | 177.9 | -146.6 | -179.1 | -173.4 | -176.2 | 1.2 | 113.6 | ||
| 243 | T | 39.3 | Very low | 52.9 | Low | 120 Ų | 120 | 154.9 Ų | 154.9 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -151.6 | 71.1 | 167.2 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 244 | S | 41.8 | Very low | 50.8 | Low | 113 Ų | 113 | 161.1 Ų | 161.1 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -154.6 | 15.9 | 160.5 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 245 | E | 45.7 | Very low | 48.9 | Very low | 197 Ų | 197 | 164.8 Ų | 164.8 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -128.8 | 17.8 | 174.1 | -77.5 | -175.9 | 141.1 | 0 | 0 | 114 | ||
| 246 | E | 43.5 | Very low | 47.4 | Very low | 184 Ų | 184 | 169.8 Ų | 169.8 | 86% | 0.86 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -123.3 | 70.8 | 172 | -152.6 | 166.1 | -159.5 | 0 | 0 | 108.7 | ||
| 247 | N | 44.2 | Very low | 46.2 | Very low | 168 Ų | 168 | 165.7 Ų | 165.7 | 90% | 0.898 | 87% | 0.869 | S | S | * | * | trans | -170.7 | 68.6 | 156.8 | -87.4 | -27 | 0 | 0 | 0 | 108.1 | ||||
| 248 | A | 43.3 | Very low | 45.2 | Very low | 96 Ų | 96 | 167.9 Ų | 167.9 | 79% | 0.793 | 88% | 0.879 | S | S | * | * | trans | -150.5 | 72.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 249 | V | 43.7 | Very low | 44.2 | Very low | 221 Ų | 221 | 172.5 Ų | 172.5 | 100% | 1.339 | 89% | 0.885 | S | S | * | * | trans | -140.8 | 0 | 151 | -178.3 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 249 of 249 residues in 580.9 ms
(Link to these results)