| 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 | 56.2 | Low | 61.3 | Low | 220 Ų | 220 | 106.3 Ų | 106.3 | 100% | 1.084 | 63% | 0.634 | S | S | * | * | 0 | 125.1 | 0 | -48.3 | -155.6 | 93.2 | 0 | 0 | 106.8 | |||||
| 2 | S | 74.3 | Confident | 60.8 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | trans | -68 | 132 | -167.6 | -179 | 0 | 0 | 0 | 0 | 111.3 | V4 L5 L6 | S2-V4 PolarHBondContact O-N 3.07Å; S2-V4 VanDerWaalsContact O-N 3.12Å; S2-V4 PolarHBondContact OG-N 3.14Å; S2-L5 WeakPolarHBondContact O-CB 3.43Å; S2-L5 PolarHBondContact O-N 3.44Å; S2-L6 PolarHBondContact O-N 3.38Å | ||
| 3 | A | 63.5 | Low | 60.5 | Low | 70 Ų | 70 | 115 Ų | 115 | 58% | 0.579 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -56.1 | -26.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L5 L6 L7 | A3-L5 VanDerWaalsContact C-N 3.35Å; A3-L6 PolarHBondContact O-N 3.32Å; A3-L7 PolarHBondContact O-N 3.06Å; A3-L7 VanDerWaalsContact O-N 3.14Å |
| 4 | V | 65 | Low | 60.4 | Low | 105 Ų | 105 | 117 Ų | 117 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66 | -36.5 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | S2 A8 | S2-V4 PolarHBondContact O-N 3.07Å; S2-V4 VanDerWaalsContact O-N 3.12Å; S2-V4 PolarHBondContact OG-N 3.14Å; V4-A8 WeakPolarHBondContact O-CB 3.46Å; V4-A8 PolarHBondContact O-N 2.92Å; V4-A8 VanDerWaalsContact O-N 3.07Å |
| 5 | L | 60.6 | Low | 60.3 | Low | 108 Ų | 108 | 116.7 Ų | 116.7 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.6 | -35.1 | 179.2 | -157.3 | 81 | 0 | 0 | 0 | 111.4 | S2 A3 L9 | S2-L5 WeakPolarHBondContact O-CB 3.43Å; S2-L5 PolarHBondContact O-N 3.44Å; A3-L5 VanDerWaalsContact C-N 3.35Å; L5-L9 WeakPolarHBondContact O-CD1 3.35Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3.12Å; L5-L9 VanDerWaalsContact O-N 3.14Å |
| 6 | L | 60.9 | Low | 60.2 | Low | 103 Ų | 103 | 119.1 Ų | 119.1 | 54% | 0.539 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -66.8 | -43.6 | 174.7 | -96.9 | 142.5 | 0 | 0 | 0 | 112.1 | S2 A3 L9 L10 | S2-L6 PolarHBondContact O-N 3.38Å; A3-L6 PolarHBondContact O-N 3.32Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.02Å |
| 7 | L | 61.5 | Low | 60 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.7 | -36.9 | 176.5 | -75.1 | 165.2 | 0 | 0 | 0 | 112.5 | A3 L10 G11 | A3-L7 PolarHBondContact O-N 3.06Å; A3-L7 VanDerWaalsContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-G11 PolarHBondContact O-N 3.14Å |
| 8 | A | 60.3 | Low | 59.8 | Low | 71 Ų | 71 | 115.9 Ų | 115.9 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.7 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V4 | V4-A8 WeakPolarHBondContact O-CB 3.46Å; V4-A8 PolarHBondContact O-N 2.92Å; V4-A8 VanDerWaalsContact O-N 3.07Å |
| 9 | L | 58.3 | Low | 59.9 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 63% | 0.634 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.3 | -34.1 | 175.1 | -74.3 | 163.1 | 0 | 0 | 0 | 112.6 | L5 L6 | L5-L9 WeakPolarHBondContact O-CD1 3.35Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3.12Å; L5-L9 VanDerWaalsContact O-N 3.14Å; L6-L9 PolarHBondContact O-N 3.41Å |
| 10 | L | 58.2 | Low | 60.3 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 61% | 0.613 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.5 | -25.7 | 177.4 | -81.2 | 157.3 | 0 | 0 | 0 | 113.3 | L6 L7 F12 | L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.02Å; L7-L10 PolarHBondContact O-N 3.37Å; L10-F12 PolarHBondContact O-N 3.43Å |
| 11 | G | 56.1 | Low | 61.2 | Low | 56 Ų | 56 | 114.8 Ų | 114.8 | 58% | 0.577 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -9.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L7 | L7-G11 PolarHBondContact O-N 3.14Š|
| 12 | F | 54.4 | Low | 62.9 | Low | 190 Ų | 190 | 105.3 Ų | 105.3 | 83% | 0.833 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -7.5 | -174.8 | -147.4 | -95.1 | 0 | 0 | 0 | 114.2 | L10 | L10-F12 PolarHBondContact O-N 3.43Š|
| 13 | I | 57.6 | Low | 64 | Low | 136 Ų | 136 | 104.9 Ų | 104.9 | 70% | 0.697 | 61% | 0.613 | S | S | * | * | trans | -109.6 | 25.7 | -177.6 | -35.1 | -176.7 | 0 | 0 | 0 | 111.8 | P15 | I13-P15 VanDerWaalsContact O-CD 3.22Å; I13-P15 WeakPolarHBondContact O-CD 3.22Å | ||
| 14 | L | 58.7 | Low | 65.7 | Low | 143 Ų | 143 | 101.5 Ų | 101.5 | 75% | 0.749 | 59% | 0.585 | S | S | * | * | trans | -96.3 | 98.8 | 161.5 | -74.8 | 167.5 | 0 | 0 | 0 | 106 | L16 | L14-L16 PolarHBondContact O-N 2.98Š| ||
| 15 | P | 59.3 | Low | 67.3 | Low | 112 Ų | 112 | 97.7 Ų | 97.7 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | trans | -56.4 | 114.5 | 164 | 25.6 | -29.9 | 0 | 0 | 0 | 104.8 | I13 | I13-P15 VanDerWaalsContact O-CD 3.22Å; I13-P15 WeakPolarHBondContact O-CD 3.22Å | ||
| 16 | L | 58.3 | Low | 69.1 | Low | 156 Ų | 156 | 97.2 Ų | 97.2 | 82% | 0.817 | 55% | 0.554 | S | S | * | * | trans | -44.8 | 129.7 | 159.8 | -77.8 | 153.5 | 0 | 0 | 0 | 105 | L14 G18 | L14-L16 PolarHBondContact O-N 2.98Å; L16-G18 PolarHBondContact O-N 2.6Å | ||
| 17 | P | 57.4 | Low | 70.9 | Confident | 125 Ų | 125 | 93.1 Ų | 93.1 | 81% | 0.812 | 54% | 0.536 | S | S | * | . | trans | -63.5 | 84 | 173.8 | 25 | -30.8 | 0 | 0 | 0 | 106.5 | V19 | P17-V19 PolarHBondContact O-N 2.91Š| ||
| 18 | G | 55.9 | Low | 72.6 | Confident | 55 Ų | 55 | 92.3 Ų | 92.3 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | trans | -57.8 | 125.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 104.4 | L16 Q20 | L16-G18 PolarHBondContact O-N 2.6Å; G18-Q20 VanDerWaalsContact C-N 3.27Å; G18-Q20 PolarHBondContact O-N 3.08Å | ||
| 19 | V | 61.9 | Low | 74.3 | Confident | 92 Ų | 92 | 91.2 Ų | 91.2 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | trans | -58.5 | 97.8 | 178.1 | -178.6 | 0 | 0 | 0 | 0 | 106.6 | P17 S51 G52 | P17-V19 PolarHBondContact O-N 2.91Å; V19-S51 PolarHBondContact O-OG 2.8Å; V19-G52 VanDerWaalsContact CG1-N 3.32Å | ||
| 20 | Q | 68.3 | Low | 76.2 | Confident | 179 Ų | 179 | 93.4 Ų | 93.4 | 84% | 0.836 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 141.5 | -177.2 | -84.2 | 171.8 | -19.6 | 0 | 0 | 108.6 | G18 L22 | G18-Q20 VanDerWaalsContact C-N 3.27Å; G18-Q20 PolarHBondContact O-N 3.08Å; Q20-L22 PolarHBondContact O-N 3.4Å |
| 21 | A | 78.1 | Confident | 78 | Confident | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 126 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | C49 | A21-C49 WeakPolarHBondContact CB-O 3.47Š|
| 22 | L | 93.3 | Very high | 80 | Confident | 20 Ų | 20 | 93 Ų | 93 | 11% | 0.105 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 137.3 | -178.8 | -167.2 | 70.4 | 0 | 0 | 0 | 109.5 | Q20 C49 C55 | Q20-L22 PolarHBondContact O-N 3.4Å; L22-C49 WeakPolarHBondContact O-CB 3.38Å; L22-C49 PolarHBondContact O-N 2.79Å; L22-C55 WeakPolarHBondContact CD2-SG 3.42Å |
| 23 | L | 97.5 | Very high | 82 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131 | 168.4 | -60.7 | 176.3 | 0 | 0 | 0 | 109.5 | T47 D108 F109 | L23-T47 CarbonylContact C-O 3.58Å; L23-T47 WeakPolarHBondContact CA-O 3.41Å; L23-D108 HydrophobicContact CB-CB 4.07Å; L23-D108 PolarHBondContact N-OD1 2.95Å; L23-D108 CarbonylContact O-C 3.55Å; L23-D108 WeakPolarHBondContact O-CA 3.47Å; L23-F109 HydrophobicContact CB-CD1 4.33Å; L23-F109 HydrophobicContact CB-CE1 3.67Å; L23-F109 HydrophobicContact CB-CE2 3.99Å; L23-F109 HydrophobicContact CB-CZ 3.49Å; L23-F109 VanDerWaalsContact CB-CZ 3.49Å; L23-F109 HydrophobicContact CD1-CE2 4.03Å; L23-F109 HydrophobicContact CD1-CZ 3.73Å; L23-F109 HydrophobicContact CG-CZ 4.22Å; L23-F109 PolarHBondContact O-N 2.03Å |
| 24 | C | 98.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 155.7 | 179.1 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | N46 T47 C49 C55 | C24-N46 CarbonylContact O-C 3.55Å; C24-N46 WeakPolarHBondContact O-CA 3.04Å; C24-T47 HydrophobicContact CB-CG2 4.22Å; C24-T47 PolarHBondContact N-O 3.26Å; C24-T47 PolarHBondContact O-N 3.22Å; C24-C49 PolarHBondContact SG-SG 2.83Å; C24-C55 VanDerWaalsContact CA-SG 3.5Å; C24-C55 HydrophobicContact CB-CB 3.73Å; C24-C55 WeakPolarHBondContact CB-SG 3.45Å; C24-C55 WeakPolarHBondContact SG-CA 3.48Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.02Å |
| 25 | Q | 98.5 | Very high | 85.4 | Confident | 25 Ų | 25 | 81.7 Ų | 81.7 | 12% | 0.117 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.5 | 163 | -64.9 | -169.3 | -11.8 | 0 | 0 | 109.7 | P44 K45 K74 G75 F109 N111 | Q25-P44 HydrophobicContact CB-CB 3.92Å; Q25-P44 HydrophobicContact CB-CG 4.11Å; Q25-P44 HydrophobicContact CG-CB 4.32Å; Q25-P44 HydrophobicContact CG-CG 3.97Å; Q25-P44 VanDerWaalsContact OE1-CG 3.31Å; Q25-K45 CarbonylContact C-O 3.47Å; Q25-K45 WeakPolarHBondContact CA-O 3.4Å; Q25-K74 HydrophobicContact CB-CD 4.35Å; Q25-K74 CarbonylContact O-C 3.55Å; Q25-K74 VanDerWaalsContact OE1-NZ 3.09Å; Q25-G75 WeakPolarHBondContact O-CA 3.37Å; Q25-G75 PolarHBondContact O-N 3.44Å; Q25-F109 HydrophobicContact CG-CD1 4.34Å; Q25-N111 WeakPolarHBondContact CB-OD1 3.39Å; Q25-N111 VanDerWaalsContact CD-O 3.28Å; Q25-N111 PolarHBondContact N-OD1 2.91Å; Q25-N111 PolarHBondContact O-ND2 3.34Å; Q25-N111 PolarHBondContact OE1-O 2.91Å |
| 26 | F | 98.4 | Very high | 87 | Confident | 98 Ų | 98 | 81 Ų | 81 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.7 | -177.2 | -180 | -98.4 | 0 | 0 | 0 | 111.1 | K45 T47 K74 | F26-K45 PolarHBondContact N-O 2.76Å; F26-K45 PolarHBondContact O-N 3.23Å; F26-T47 HydrophobicContact CB-CG2 3.83Å; F26-T47 HydrophobicContact CD2-CG2 4.36Å; F26-T47 HydrophobicContact CG-CG2 4.39Å; F26-K74 WeakPolarHBondContact CA-O 3.44Å; F26-K74 WeakPolarHBondContact CD2-O 3.38Å |
| 27 | G | 97.7 | Very high | 88.7 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 17% | 0.165 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | 156 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | K74 | G27-K74 PolarHBondContact N-O 2.83Å; G27-K74 PolarHBondContact O-N 3.11Å |
| 28 | T | 97.7 | Very high | 90.4 | Very high | 110 Ų | 110 | 71 Ų | 71 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.2 | 172.5 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | L72 | T28-L72 CarbonylContact C-O 3.53Å; T28-L72 VanDerWaalsContact CA-O 3.24Å; T28-L72 WeakPolarHBondContact CA-O 3.49Å |
| 29 | V | 96.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.6 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | H31 L70 V71 L72 | V29-H31 HydrophobicContact CG1-CB 4.47Å; V29-L70 HydrophobicContact CB-CD2 4.14Å; V29-L70 HydrophobicContact CG1-CD2 3.9Å; V29-V71 CarbonylContact O-C 3.58Å; V29-V71 VanDerWaalsContact O-CA 3.3Å; V29-V71 WeakPolarHBondContact O-CA 2.99Å; V29-L72 HydrophobicContact CB-CB 3.9Å; V29-L72 HydrophobicContact CB-CD2 4.41Å; V29-L72 HydrophobicContact CG2-CB 4.34Å; V29-L72 HydrophobicContact CG2-CD2 3.94Å; V29-L72 PolarHBondContact N-O 3.49Å; V29-L72 PolarHBondContact O-N 2.85Å |
| 30 | Q | 97.3 | Very high | 93.8 | Very high | 167 Ų | 167 | 71 Ų | 71 | 78% | 0.78 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 106.8 | 170.2 | -178 | 175.6 | -6.6 | 0 | 0 | 107.4 | L70 V71 | Q30-L70 WeakPolarHBondContact CA-O 3.39Å; Q30-V71 HydrophobicContact CG-CG2 4.49Å |
| 31 | H | 97.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 146.7 | -176.4 | -165.4 | -82.5 | 0 | 0 | 0 | 111.5 | V29 W33 L70 | V29-H31 HydrophobicContact CG1-CB 4.47Å; H31-W33 HydrophobicContact CB-CZ2 4.25Å; H31-W33 AromaticContact CE1-CD2 3.87Å; H31-W33 AromaticContact CE1-CE2 3.78Å; H31-W33 AromaticContact CE1-CE3 3.83Å; H31-W33 AromaticContact CE1-CH2 3.57Å; H31-W33 AromaticContact CE1-CZ2 3.68Å; H31-W33 AromaticContact CE1-CZ3 3.66Å; H31-W33 AromaticContact CG-CE2 3.67Å; H31-W33 AromaticContact CG-CZ2 3.68Å; H31-W33 AromaticContact CG-NE1 3.76Å; H31-W33 AromaticContact ND1-CD1 3.81Å; H31-W33 AromaticContact ND1-CD2 3.35Å; H31-W33 VanDerWaalsContact ND1-CD2 3.35Å; H31-W33 AromaticContact ND1-CE2 3.06Å; H31-W33 AromaticContact ND1-CE3 3.8Å; H31-W33 AromaticContact ND1-CG 3.83Å; H31-W33 AromaticContact ND1-CH2 3.71Å; H31-W33 AromaticContact ND1-CZ2 3.3Å; H31-W33 VanDerWaalsContact ND1-CZ2 3.3Å; H31-W33 WeakPolarHBondContact ND1-CZ2 3.42Å; H31-W33 AromaticContact ND1-CZ3 3.94Å; H31-W33 AromaticContact ND1-NE1 3.39Å; H31-W33 PolarHBondContact ND1-NE1 3.21Å; H31-L70 PolarHBondContact N-O 2.86Å; H31-L70 VanDerWaalsContact N-O 3.09Å; H31-L70 PolarHBondContact O-N 3.48Å |
| 32 | V | 97.4 | Very high | 95.9 | Very high | 77 Ų | 77 | 69.5 Ų | 69.5 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.6 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | Q67 V68 | V32-Q67 HydrophobicContact CG1-CB 4.15Å; V32-V68 WeakPolarHBondContact CA-O 3.34Å |
| 33 | W | 95.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 75.2 Ų | 75.2 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 167.7 | 178.2 | -63.1 | 103.5 | 0 | 0 | 0 | 110.7 | H31 D37 R40 Q67 V68 | H31-W33 HydrophobicContact CB-CZ2 4.25Å; H31-W33 AromaticContact CE1-CD2 3.87Å; H31-W33 AromaticContact CE1-CE2 3.78Å; H31-W33 AromaticContact CE1-CE3 3.83Å; H31-W33 AromaticContact CE1-CH2 3.57Å; H31-W33 AromaticContact CE1-CZ2 3.68Å; H31-W33 AromaticContact CE1-CZ3 3.66Å; H31-W33 AromaticContact CG-CE2 3.67Å; H31-W33 AromaticContact CG-CZ2 3.68Å; H31-W33 AromaticContact CG-NE1 3.76Å; H31-W33 AromaticContact ND1-CD1 3.81Å; H31-W33 AromaticContact ND1-CD2 3.35Å; H31-W33 VanDerWaalsContact ND1-CD2 3.35Å; H31-W33 AromaticContact ND1-CE2 3.06Å; H31-W33 AromaticContact ND1-CE3 3.8Å; H31-W33 AromaticContact ND1-CG 3.83Å; H31-W33 AromaticContact ND1-CH2 3.71Å; H31-W33 AromaticContact ND1-CZ2 3.3Å; H31-W33 VanDerWaalsContact ND1-CZ2 3.3Å; H31-W33 WeakPolarHBondContact ND1-CZ2 3.42Å; H31-W33 AromaticContact ND1-CZ3 3.94Å; H31-W33 AromaticContact ND1-NE1 3.39Å; H31-W33 PolarHBondContact ND1-NE1 3.21Å; W33-D37 HydrophobicContact CB-CB 4.38Å; W33-R40 HydrophobicContact CG-CG 4.4Å; W33-Q67 WeakPolarHBondContact O-CA 3.44Å; W33-V68 HydrophobicContact CB-CG1 4.06Å; W33-V68 PolarHBondContact N-O 2.99Å; W33-V68 PolarHBondContact O-N 2.98Å |
| 34 | K | 95.5 | Very high | 96.1 | Very high | 131 Ų | 131 | 73.5 Ų | 73.5 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 146.9 | 161.4 | -60.2 | 175.3 | -179 | 173.6 | 0 | 108.4 | S36 D37 P66 | K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.07Å; K34-D37 WeakPolarHBondContact CB-OD2 3.41Å; K34-D37 PolarHBondContact N-OD2 3.29Å; K34-D37 WeakPolarHBondContact O-CB 3.37Å; K34-D37 PolarHBondContact O-N 2.88Å; K34-P66 WeakPolarHBondContact CA-O 3.35Å |
| 35 | V | 92.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 80.9 Ų | 80.9 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -55.8 | -34.9 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | D37 L38 P66 V68 W120 | V35-D37 PolarHBondContact O-N 3.48Å; V35-D37 VanDerWaalsContact O-N 3.17Å; V35-L38 PolarHBondContact O-N 2.7Å; V35-P66 PolarHBondContact N-O 2.87Å; V35-V68 HydrophobicContact CG2-CB 4.19Å; V35-V68 HydrophobicContact CG2-CG1 4.4Å; V35-W120 HydrophobicContact CG1-CH2 3.4Å; V35-W120 HydrophobicContact CG1-CZ2 4.48Å; V35-W120 HydrophobicContact CG1-CZ3 3.83Å |
| 36 | S | 93.1 | Very high | 96.1 | Very high | 98 Ų | 98 | 84.7 Ų | 84.7 | 69% | 0.685 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -64.2 | -14.5 | 175.2 | 59.7 | 0 | 0 | 0 | 0 | 115 | K34 | K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.07Å |
| 37 | D | 94.2 | Very high | 96.1 | Very high | 56 Ų | 56 | 82.2 Ų | 82.2 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -90.3 | -8.2 | -179.4 | -54.6 | -28 | 0 | 0 | 0 | 112 | W33 K34 V35 R40 | W33-D37 HydrophobicContact CB-CB 4.38Å; K34-D37 WeakPolarHBondContact CB-OD2 3.41Å; K34-D37 PolarHBondContact N-OD2 3.29Å; K34-D37 WeakPolarHBondContact O-CB 3.37Å; K34-D37 PolarHBondContact O-N 2.88Å; V35-D37 PolarHBondContact O-N 3.48Å; V35-D37 VanDerWaalsContact O-N 3.17Å; D37-R40 WeakPolarHBondContact O-CD 3.03Å |
| 38 | L | 92.8 | Very high | 96 | Very high | 16 Ų | 16 | 84.9 Ų | 84.9 | 8% | 0.084 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 147.9 | 177.2 | -64.5 | -168.9 | 0 | 0 | 0 | 111.7 | V35 R40 L61 V68 W120 | V35-L38 PolarHBondContact O-N 2.7Å; L38-R40 HydrophobicContact CD2-CG 3.8Å; L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.45Å; L38-V68 HydrophobicContact CD1-CB 4.43Å; L38-V68 HydrophobicContact CD1-CG1 3.8Å; L38-V68 HydrophobicContact CD1-CG2 4.16Å; L38-V68 HydrophobicContact CD2-CG1 4.15Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L38-W120 HydrophobicContact CB-CD2 3.88Å; L38-W120 HydrophobicContact CB-CE3 3.95Å; L38-W120 HydrophobicContact CB-CG 4.35Å; L38-W120 HydrophobicContact CB-CZ2 4.49Å; L38-W120 HydrophobicContact CB-CZ3 4.32Å; L38-W120 HydrophobicContact CD1-CD2 4.24Å; L38-W120 HydrophobicContact CD1-CE3 3.51Å; L38-W120 HydrophobicContact CD1-CZ3 3.81Å; L38-W120 HydrophobicContact CG-CE3 4.37Å |
| 39 | P | 94.6 | Very high | 96 | Very high | 63 Ų | 63 | 79.8 Ų | 79.8 | 41% | 0.409 | 42% | 0.416 | S | S | . | . | S | Bend | cis | -78.8 | 148.4 | 0.1 | 32.8 | -36 | 0 | 0 | 0 | 113.2 | S116 L117 | P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.38Å; P39-S116 WeakPolarHBondContact CB-OG 3.36Å; P39-L117 HydrophobicContact CB-CB 4.4Å; P39-L117 HydrophobicContact CB-CD1 4.42Å; P39-L117 HydrophobicContact CG-CD1 4.13Å |
| 40 | R | 94.7 | Very high | 95.9 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 144.4 | 173.1 | -58.2 | -61.1 | -87.8 | 178.3 | -8.1 | 110.7 | W33 D37 L38 W42 L70 N115 S116 | W33-R40 HydrophobicContact CG-CG 4.4Å; D37-R40 WeakPolarHBondContact O-CD 3.03Å; L38-R40 HydrophobicContact CD2-CG 3.8Å; R40-W42 WeakPolarHBondContact O-CZ3 3.4Å; R40-L70 HydrophobicContact CB-CD1 4.36Å; R40-N115 CarbonylContact O-C 3.58Å; R40-N115 WeakPolarHBondContact O-CA 3.39Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; R40-S116 PolarHBondContact N-OG 3.17Å; R40-S116 PolarHBondContact O-N 3.22Å |
| 41 | Q | 96.1 | Very high | 95.5 | Very high | 171 Ų | 171 | 79.6 Ų | 79.6 | 80% | 0.799 | 43% | 0.426 | S | S | * | . | B | Isolated β-bridge | trans | -101.9 | 154.6 | 169.2 | -64 | -176.3 | -22.8 | 0 | 0 | 110.2 | V114 N115 | Q41-V114 WeakPolarHBondContact CA-O 3.24Å; Q41-N115 HydrophobicContact CG-CB 3.99Å |
| 42 | W | 95.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 77.6 Ų | 77.6 | 12% | 0.117 | 43% | 0.429 | C | S | . | . | trans | -142.9 | 156.9 | 173 | 50.9 | 80.9 | 0 | 0 | 0 | 111.4 | R40 L59 L70 L72 K74 L113 V114 N115 S116 | R40-W42 WeakPolarHBondContact O-CZ3 3.4Å; W42-L59 HydrophobicContact CH2-CD1 3.92Å; W42-L59 HydrophobicContact CH2-CD2 3.66Å; W42-L59 HydrophobicContact CH2-CG 4.42Å; W42-L59 HydrophobicContact CZ2-CD2 4.42Å; W42-L59 HydrophobicContact CZ3-CD1 4.42Å; W42-L70 HydrophobicContact CZ3-CD1 4.08Å; W42-L72 HydrophobicContact CD2-CD2 3.72Å; W42-L72 VanDerWaalsContact CE2-CD2 3.47Å; W42-L72 HydrophobicContact CE3-CD2 4.48Å; W42-L72 HydrophobicContact CG-CD2 3.79Å; W42-L72 HydrophobicContact CH2-CD1 4.41Å; W42-L72 HydrophobicContact CZ2-CD1 3.75Å; W42-L72 HydrophobicContact CZ2-CD2 4.04Å; W42-K74 VanDerWaalsContact NE1-CE 3.31Å; W42-L113 HydrophobicContact CZ2-CD2 4.06Å; W42-L113 HydrophobicContact CZ2-CG 3.96Å; W42-L113 PolarHBondContact NE1-O 2.88Å; W42-V114 VanDerWaalsContact CE2-C 3.43Å; W42-V114 PolarHBondContact N-O 3.26Å; W42-N115 VanDerWaalsContact CH2-CA 3.47Å; W42-N115 VanDerWaalsContact CH2-O 3.24Å; W42-N115 WeakPolarHBondContact CH2-O 3.44Å; W42-N115 VanDerWaalsContact CZ3-C 3.47Å; W42-S116 VanDerWaalsContact CH2-N 3.32Å | ||
| 43 | T | 97.3 | Very high | 95.1 | Very high | 140 Ų | 140 | 75.8 Ų | 75.8 | 86% | 0.859 | 42% | 0.416 | S | S | * | . | trans | -110.5 | 108.1 | 175.6 | -52.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 44 | P | 97.5 | Very high | 95.2 | Very high | 27 Ų | 27 | 72.7 Ų | 72.7 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | trans | -74.7 | 158.1 | 178.4 | 30.4 | -31.1 | 0 | 0 | 0 | 111.1 | Q25 K74 V114 | Q25-P44 HydrophobicContact CB-CB 3.92Å; Q25-P44 HydrophobicContact CB-CG 4.11Å; Q25-P44 HydrophobicContact CG-CB 4.32Å; Q25-P44 HydrophobicContact CG-CG 3.97Å; Q25-P44 VanDerWaalsContact OE1-CG 3.31Å; P44-K74 HydrophobicContact CB-CD 3.96Å; P44-V114 HydrophobicContact CG-CG1 4.46Å | ||
| 45 | K | 98.1 | Very high | 95.3 | Very high | 155 Ų | 155 | 66.4 Ų | 66.4 | 67% | 0.674 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 177.3 | 163.2 | -62.9 | -178.1 | -178.7 | 179.6 | 0 | 109.1 | Q25 F26 | Q25-K45 CarbonylContact C-O 3.47Å; Q25-K45 WeakPolarHBondContact CA-O 3.4Å; F26-K45 PolarHBondContact N-O 2.76Å; F26-K45 PolarHBondContact O-N 3.23Å |
| 46 | N | 97.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 67.5 Ų | 67.5 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149.7 | 174.7 | -65.3 | -6.7 | 0 | 0 | 0 | 109.8 | C24 F109 | C24-N46 CarbonylContact O-C 3.55Å; C24-N46 WeakPolarHBondContact O-CA 3.04Å; N46-F109 HydrophobicContact CB-CE1 3.8Å; N46-F109 HydrophobicContact CB-CZ 4.44Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.31Å |
| 47 | T | 97.7 | Very high | 95.8 | Very high | 46 Ų | 46 | 62.8 Ų | 62.8 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.3 | 173.8 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | L23 C24 F26 | L23-T47 CarbonylContact C-O 3.58Å; L23-T47 WeakPolarHBondContact CA-O 3.41Å; C24-T47 HydrophobicContact CB-CG2 4.22Å; C24-T47 PolarHBondContact N-O 3.26Å; C24-T47 PolarHBondContact O-N 3.22Å; F26-T47 HydrophobicContact CB-CG2 3.83Å; F26-T47 HydrophobicContact CD2-CG2 4.36Å; F26-T47 HydrophobicContact CG-CG2 4.39Å |
| 48 | S | 97.4 | Very high | 96 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 51% | 0.51 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 140.5 | 164.6 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 49 | C | 96.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | trans | -106.8 | 147.2 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | A21 L22 C24 L53 C76 | A21-C49 WeakPolarHBondContact CB-O 3.47Å; L22-C49 WeakPolarHBondContact O-CB 3.38Å; L22-C49 PolarHBondContact O-N 2.79Å; C24-C49 PolarHBondContact SG-SG 2.83Å; C49-L53 HydrophobicContact CB-CB 4.08Å; C49-C76 WeakPolarHBondContact CA-SG 3.32Å; C49-C76 HydrophobicContact CB-CB 3.79Å; C49-C76 WeakPolarHBondContact CB-SG 3.33Å; C49-C76 WeakPolarHBondContact SG-CB 3.34Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 2.93Å | ||
| 50 | D | 94.6 | Very high | 96.4 | Very high | 127 Ų | 127 | 60.8 Ų | 60.8 | 68% | 0.679 | 33% | 0.333 | S | S | * | . | trans | -61.5 | 151.3 | 173.2 | -65 | -24.9 | 0 | 0 | 0 | 111 | G52 L53 | D50-G52 PolarHBondContact O-N 3.22Å; D50-L53 HydrophobicContact CB-CD1 3.91Å; D50-L53 HydrophobicContact CB-CG 4.28Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 2.84Å; D50-L53 VanDerWaalsContact O-N 3.08Å | ||
| 51 | S | 90.6 | Very high | 96.4 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 59% | 0.594 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 125.1 | 179.9 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | V19 | V19-S51 PolarHBondContact O-OG 2.8Š|
| 52 | G | 89.4 | Confident | 96.3 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -14.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V19 D50 R105 | V19-G52 VanDerWaalsContact CG1-N 3.32Å; D50-G52 PolarHBondContact O-N 3.22Å; G52-R105 PolarHBondContact O-NE 3.17Å |
| 53 | L | 96.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | trans | -75.5 | 152.6 | 171.7 | -59.4 | -176.2 | 0 | 0 | 0 | 111.4 | C49 D50 C76 T77 E78 | C49-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 HydrophobicContact CB-CD1 3.91Å; D50-L53 HydrophobicContact CB-CG 4.28Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 2.84Å; D50-L53 VanDerWaalsContact O-N 3.08Å; L53-C76 HydrophobicContact CB-CB 4.33Å; L53-C76 HydrophobicContact CD1-CB 3.89Å; L53-T77 WeakPolarHBondContact CA-O 3.04Å; L53-E78 HydrophobicContact CD2-CB 4.27Å; L53-E78 HydrophobicContact CD2-CG 3.36Å | ||
| 54 | G | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 177.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | C76 T77 C104 | G54-C76 CarbonylContact O-C 3.51Å; G54-C76 VanDerWaalsContact O-CA 3.24Å; G54-C76 WeakPolarHBondContact O-CA 3.3Å; G54-T77 PolarHBondContact N-O 2.79Å; G54-T77 PolarHBondContact O-N 3.1Å; G54-C104 CarbonylContact C-O 3.46Å; G54-C104 WeakPolarHBondContact CA-O 3.42Å |
| 55 | C | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 146.4 | 171.5 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | L22 C24 G75 V103 C104 N111 | L22-C55 WeakPolarHBondContact CD2-SG 3.42Å; C24-C55 VanDerWaalsContact CA-SG 3.5Å; C24-C55 HydrophobicContact CB-CB 3.73Å; C24-C55 WeakPolarHBondContact CB-SG 3.45Å; C24-C55 WeakPolarHBondContact SG-CA 3.48Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.02Å; C55-G75 CarbonylContact C-O 3.42Å; C55-G75 WeakPolarHBondContact CA-O 3.15Å; C55-V103 WeakPolarHBondContact O-CA 3.24Å; C55-C104 PolarHBondContact N-O 2.76Å; C55-C104 PolarHBondContact O-N 2.89Å; C55-N111 HydrophobicContact CB-CB 3.59Å; C55-N111 VanDerWaalsContact CB-CG 3.44Å; C55-N111 WeakPolarHBondContact CB-OD1 3.38Å |
| 56 | Q | 98.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.5 | 176.4 | 178.9 | 173 | 4 | 0 | 0 | 111.6 | T58 K74 G75 T77 F102 V103 N111 | Q56-T58 PolarHBondContact NE2-OG1 2.82Å; Q56-K74 WeakPolarHBondContact O-CA 3.3Å; Q56-G75 PolarHBondContact N-O 2.9Å; Q56-G75 PolarHBondContact O-N 2.92Å; Q56-T77 HydrophobicContact CB-CG2 3.74Å; Q56-T77 PolarHBondContact OE1-OG1 2.78Å; Q56-T77 VanDerWaalsContact OE1-OG1 3.07Å; Q56-F102 WeakPolarHBondContact CA-O 3.34Å; Q56-V103 HydrophobicContact CB-CG2 4.41Å; Q56-V103 HydrophobicContact CG-CG2 4.2Å; Q56-N111 PolarHBondContact O-ND2 2.88Å |
| 57 | D | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.6 | 159.6 | -79.1 | -21 | 0 | 0 | 0 | 110.3 | K74 Y100 T101 F102 N111 N112 L113 | D57-K74 WeakPolarHBondContact OD1-CG 3.39Å; D57-K74 IonicContact OD1-NZ 3.17Å; D57-K74 PolarHBondContact OD1-NZ 3.43Å; D57-K74 IonicContact OD2-NZ 2.66Å; D57-K74 PolarHBondContact OD2-NZ 3.22Å; D57-K74 VanDerWaalsContact OD2-NZ 3.17Å; D57-Y100 HydrophobicContact CB-CD1 4.46Å; D57-Y100 HydrophobicContact CB-CE1 3.92Å; D57-T101 WeakPolarHBondContact O-CA 3.22Å; D57-F102 HydrophobicContact CB-CB 4.36Å; D57-F102 PolarHBondContact N-O 2.74Å; D57-F102 PolarHBondContact O-N 2.89Å; D57-N111 WeakPolarHBondContact OD1-CB 3.45Å; D57-N111 PolarHBondContact OD1-ND2 2.76Å; D57-N111 WeakPolarHBondContact OD2-CA 3.48Å; D57-N111 VanDerWaalsContact OD2-O 3.1Å; D57-N112 PolarHBondContact OD2-N 3.05Å; D57-L113 HydrophobicContact CB-CB 4.31Å; D57-L113 WeakPolarHBondContact OD2-CB 3.36Å; D57-L113 PolarHBondContact OD2-N 2.91Å |
| 58 | T | 97.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 121 | 170.5 | -62.3 | 0 | 0 | 0 | 0 | 109.3 | Q56 M60 L72 S73 Y100 T101 | Q56-T58 PolarHBondContact NE2-OG1 2.82Å; T58-M60 HydrophobicContact CG2-CE 4.15Å; T58-L72 CarbonylContact O-C 3.49Å; T58-L72 WeakPolarHBondContact O-CA 3.46Å; T58-S73 PolarHBondContact N-O 2.8Å; T58-S73 PolarHBondContact O-N 3.02Å; T58-Y100 WeakPolarHBondContact CA-O 3.46Å; T58-T101 HydrophobicContact CG2-CG2 4.47Å |
| 59 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.6 | 175.9 | -179.7 | 67.9 | 0 | 0 | 0 | 109 | W42 L70 V71 L72 S99 Y100 L113 L119 | W42-L59 HydrophobicContact CH2-CD1 3.92Å; W42-L59 HydrophobicContact CH2-CD2 3.66Å; W42-L59 HydrophobicContact CH2-CG 4.42Å; W42-L59 HydrophobicContact CZ2-CD2 4.42Å; W42-L59 HydrophobicContact CZ3-CD1 4.42Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.71Å; L59-L70 HydrophobicContact CD1-CG 3.76Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.32Å; L59-V71 WeakPolarHBondContact CA-O 3.34Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.05Å; L59-L72 HydrophobicContact CD1-CD1 4.03Å; L59-S99 CarbonylContact O-C 3.54Å; L59-S99 VanDerWaalsContact O-CA 3.24Å; L59-S99 WeakPolarHBondContact O-CA 3.38Å; L59-Y100 PolarHBondContact N-O 2.69Å; L59-Y100 PolarHBondContact O-N 2.93Å; L59-L113 HydrophobicContact CB-CD2 3.97Å; L59-L113 HydrophobicContact CD2-CD2 4.05Å; L59-L119 HydrophobicContact CB-CD2 4.17Å; L59-L119 HydrophobicContact CD2-CD1 3.68Å; L59-L119 HydrophobicContact CD2-CD2 3.79Å; L59-L119 HydrophobicContact CD2-CG 4.27Å; L59-L119 HydrophobicContact CG-CD1 4.45Å; L59-L119 HydrophobicContact CG-CD2 3.78Å |
| 60 | M | 96.5 | Very high | 95.1 | Very high | 71 Ų | 71 | 43 Ų | 43 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.1 | 172.6 | -60.4 | -178.5 | -178.6 | 0 | 0 | 109.6 | T58 L70 V71 L97 I98 | T58-M60 HydrophobicContact CG2-CE 4.15Å; M60-L70 WeakPolarHBondContact O-CA 3.24Å; M60-V71 HydrophobicContact CB-CB 4.3Å; M60-V71 PolarHBondContact N-O 3.43Å; M60-V71 PolarHBondContact O-N 2.66Å; M60-L97 HydrophobicContact CB-CD1 3.95Å; M60-L97 HydrophobicContact CG-CD1 4.36Å; M60-I98 CarbonylContact C-O 3.51Å; M60-I98 WeakPolarHBondContact CA-O 3.43Å |
| 61 | L | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.3 | 168.2 | -61.1 | -176.8 | 0 | 0 | 0 | 108 | L38 V68 S69 L70 L97 I98 L119 | L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.45Å; L61-V68 HydrophobicContact CB-CG2 3.93Å; L61-V68 HydrophobicContact CD2-CG2 4.09Å; L61-V68 HydrophobicContact CG-CG2 4.49Å; L61-S69 WeakPolarHBondContact CA-O 3.01Å; L61-L70 HydrophobicContact CD2-CB 4Å; L61-L70 HydrophobicContact CD2-CD1 3.88Å; L61-L70 HydrophobicContact CD2-CG 3.81Å; L61-L97 CarbonylContact O-C 3.57Å; L61-L97 VanDerWaalsContact O-CA 3.31Å; L61-L97 WeakPolarHBondContact O-CA 3.32Å; L61-I98 PolarHBondContact N-O 2.87Å; L61-I98 PolarHBondContact O-N 2.87Å; L61-L119 HydrophobicContact CD1-CB 3.65Å; L61-L119 HydrophobicContact CD1-CD2 4.39Å; L61-L119 HydrophobicContact CG-CB 4.21Å; L61-L119 HydrophobicContact CG-CD2 4.03Å |
| 62 | I | 94.4 | Very high | 95.6 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 106.9 | 174.8 | -55.4 | 158.9 | 0 | 0 | 0 | 107.2 | V68 S69 L95 S96 L97 | I62-V68 CarbonylContact O-C 3.58Å; I62-V68 VanDerWaalsContact O-CA 3.32Å; I62-V68 WeakPolarHBondContact O-CA 3.34Å; I62-S69 PolarHBondContact N-O 3.5Å; I62-S69 PolarHBondContact O-N 2.02Å; I62-L95 HydrophobicContact CG2-CD2 4.09Å; I62-S96 CarbonylContact C-O 3.53Å; I62-S96 WeakPolarHBondContact CA-O 3.25Å; I62-L97 HydrophobicContact CG1-CD1 3.66Å |
| 63 | E | 92.8 | Very high | 96 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.7 | -177.4 | -56.9 | 176.5 | 160.3 | 0 | 0 | 110.4 | Q67 V68 L95 S96 | E63-Q67 WeakPolarHBondContact CA-O 3.01Å; E63-V68 HydrophobicContact CG-CB 4.19Å; E63-V68 HydrophobicContact CG-CG2 3.81Å; E63-L95 WeakPolarHBondContact O-CA 3.24Å; E63-S96 WeakPolarHBondContact CB-OG 3.26Å; E63-S96 PolarHBondContact N-O 3.17Å; E63-S96 PolarHBondContact O-N 3.11Å; E63-S96 PolarHBondContact OE2-OG 3.43Å |
| 64 | S | 92.4 | Very high | 96.1 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 105.1 | 171.8 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | Q67 | S64-Q67 PolarHBondContact N-O 2.89Å; S64-Q67 PolarHBondContact O-N 2.82Å; S64-Q67 VanDerWaalsContact O-N 3.16Å |
| 65 | G | 90.2 | Very high | 96.2 | Very high | 61 Ų | 61 | 34.6 Ų | 34.6 | 63% | 0.629 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -126.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q67 | G65-Q67 VanDerWaalsContact C-N 3.26Å; G65-Q67 PolarHBondContact O-N 2.98Å |
| 66 | P | 92.8 | Very high | 96.2 | Very high | 101 Ų | 101 | 36.9 Ų | 36.9 | 66% | 0.656 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.8 | -179 | 35.1 | -35.5 | 0 | 0 | 0 | 113.9 | K34 V35 | K34-P66 WeakPolarHBondContact CA-O 3.35Å; V35-P66 PolarHBondContact N-O 2.87Å |
| 67 | Q | 95.3 | Very high | 96.1 | Very high | 114 Ų | 114 | 35.1 Ų | 35.1 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 149.5 | -177.3 | -63 | -176.4 | 5.1 | 0 | 0 | 111.5 | V32 W33 E63 S64 G65 | V32-Q67 HydrophobicContact CG1-CB 4.15Å; W33-Q67 WeakPolarHBondContact O-CA 3.44Å; E63-Q67 WeakPolarHBondContact CA-O 3.01Å; S64-Q67 PolarHBondContact N-O 2.89Å; S64-Q67 PolarHBondContact O-N 2.82Å; S64-Q67 VanDerWaalsContact O-N 3.16Å; G65-Q67 VanDerWaalsContact C-N 3.26Å; G65-Q67 PolarHBondContact O-N 2.98Å |
| 68 | V | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 124.6 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 110 | V32 W33 V35 L38 L61 I62 E63 | V32-V68 WeakPolarHBondContact CA-O 3.34Å; W33-V68 HydrophobicContact CB-CG1 4.06Å; W33-V68 PolarHBondContact N-O 2.99Å; W33-V68 PolarHBondContact O-N 2.98Å; V35-V68 HydrophobicContact CG2-CB 4.19Å; V35-V68 HydrophobicContact CG2-CG1 4.4Å; L38-V68 HydrophobicContact CD1-CB 4.43Å; L38-V68 HydrophobicContact CD1-CG1 3.8Å; L38-V68 HydrophobicContact CD1-CG2 4.16Å; L38-V68 HydrophobicContact CD2-CG1 4.15Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L61-V68 HydrophobicContact CB-CG2 3.93Å; L61-V68 HydrophobicContact CD2-CG2 4.09Å; L61-V68 HydrophobicContact CG-CG2 4.49Å; I62-V68 CarbonylContact O-C 3.58Å; I62-V68 VanDerWaalsContact O-CA 3.32Å; I62-V68 WeakPolarHBondContact O-CA 3.34Å; E63-V68 HydrophobicContact CG-CB 4.19Å; E63-V68 HydrophobicContact CG-CG2 3.81Å |
| 69 | S | 96.3 | Very high | 96 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.8 | 168 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | L61 I62 | L61-S69 WeakPolarHBondContact CA-O 3.01Å; I62-S69 PolarHBondContact N-O 3.5Å; I62-S69 PolarHBondContact O-N 2.02Å |
| 70 | L | 96.8 | Very high | 96 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.3 | 173.4 | -172.7 | 154.7 | 0 | 0 | 0 | 108.8 | V29 Q30 H31 R40 W42 L59 M60 L61 L72 | V29-L70 HydrophobicContact CB-CD2 4.14Å; V29-L70 HydrophobicContact CG1-CD2 3.9Å; Q30-L70 WeakPolarHBondContact CA-O 3.39Å; H31-L70 PolarHBondContact N-O 2.86Å; H31-L70 VanDerWaalsContact N-O 3.09Å; H31-L70 PolarHBondContact O-N 3.48Å; R40-L70 HydrophobicContact CB-CD1 4.36Å; W42-L70 HydrophobicContact CZ3-CD1 4.08Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.71Å; L59-L70 HydrophobicContact CD1-CG 3.76Å; M60-L70 WeakPolarHBondContact O-CA 3.24Å; L61-L70 HydrophobicContact CD2-CB 4Å; L61-L70 HydrophobicContact CD2-CD1 3.88Å; L61-L70 HydrophobicContact CD2-CG 3.81Å; L70-L72 HydrophobicContact CD2-CB 4.09Å |
| 71 | V | 97.8 | Very high | 96 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.3 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | V29 Q30 L59 M60 | V29-V71 CarbonylContact O-C 3.58Å; V29-V71 VanDerWaalsContact O-CA 3.3Å; V29-V71 WeakPolarHBondContact O-CA 2.99Å; Q30-V71 HydrophobicContact CG-CG2 4.49Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.32Å; L59-V71 WeakPolarHBondContact CA-O 3.34Å; M60-V71 HydrophobicContact CB-CB 4.3Å; M60-V71 PolarHBondContact N-O 3.43Å; M60-V71 PolarHBondContact O-N 2.66Å |
| 72 | L | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.6 | 175.9 | 179.1 | 73.5 | 0 | 0 | 0 | 109.1 | T28 V29 W42 T58 L59 L70 K74 | T28-L72 CarbonylContact C-O 3.53Å; T28-L72 VanDerWaalsContact CA-O 3.24Å; T28-L72 WeakPolarHBondContact CA-O 3.49Å; V29-L72 HydrophobicContact CB-CB 3.9Å; V29-L72 HydrophobicContact CB-CD2 4.41Å; V29-L72 HydrophobicContact CG2-CB 4.34Å; V29-L72 HydrophobicContact CG2-CD2 3.94Å; V29-L72 PolarHBondContact N-O 3.49Å; V29-L72 PolarHBondContact O-N 2.85Å; W42-L72 HydrophobicContact CD2-CD2 3.72Å; W42-L72 VanDerWaalsContact CE2-CD2 3.47Å; W42-L72 HydrophobicContact CE3-CD2 4.48Å; W42-L72 HydrophobicContact CG-CD2 3.79Å; W42-L72 HydrophobicContact CH2-CD1 4.41Å; W42-L72 HydrophobicContact CZ2-CD1 3.75Å; W42-L72 HydrophobicContact CZ2-CD2 4.04Å; T58-L72 CarbonylContact O-C 3.49Å; T58-L72 WeakPolarHBondContact O-CA 3.46Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.05Å; L59-L72 HydrophobicContact CD1-CD1 4.03Å; L70-L72 HydrophobicContact CD2-CB 4.09Å; L72-K74 HydrophobicContact CD1-CG 4.05Å; L72-K74 HydrophobicContact CD2-CD 4.15Å; L72-K74 HydrophobicContact CD2-CG 4.25Å; L72-K74 HydrophobicContact CG-CG 4.07Å |
| 73 | S | 98.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.1 | 165.1 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | T58 | T58-S73 PolarHBondContact N-O 2.8Å; T58-S73 PolarHBondContact O-N 3.02Å |
| 74 | K | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.1 | 176 | -54.4 | 179.9 | 148.4 | -82 | 0 | 109.4 | Q25 F26 G27 W42 P44 Q56 D57 L72 N111 L113 | Q25-K74 HydrophobicContact CB-CD 4.35Å; Q25-K74 CarbonylContact O-C 3.55Å; Q25-K74 VanDerWaalsContact OE1-NZ 3.09Å; F26-K74 WeakPolarHBondContact CA-O 3.44Å; F26-K74 WeakPolarHBondContact CD2-O 3.38Å; G27-K74 PolarHBondContact N-O 2.83Å; G27-K74 PolarHBondContact O-N 3.11Å; W42-K74 VanDerWaalsContact NE1-CE 3.31Å; P44-K74 HydrophobicContact CB-CD 3.96Å; Q56-K74 WeakPolarHBondContact O-CA 3.3Å; D57-K74 WeakPolarHBondContact OD1-CG 3.39Å; D57-K74 IonicContact OD1-NZ 3.17Å; D57-K74 PolarHBondContact OD1-NZ 3.43Å; D57-K74 IonicContact OD2-NZ 2.66Å; D57-K74 PolarHBondContact OD2-NZ 3.22Å; D57-K74 VanDerWaalsContact OD2-NZ 3.17Å; L72-K74 HydrophobicContact CD1-CG 4.05Å; L72-K74 HydrophobicContact CD2-CD 4.15Å; L72-K74 HydrophobicContact CD2-CG 4.25Å; L72-K74 HydrophobicContact CG-CG 4.07Å; K74-N111 PolarHBondContact NZ-O 2.82Å; K74-L113 WeakPolarHBondContact CE-O 3.34Å; K74-L113 PolarHBondContact NZ-O 3.21Å |
| 75 | G | 98.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | -161.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q25 C55 Q56 | Q25-G75 WeakPolarHBondContact O-CA 3.37Å; Q25-G75 PolarHBondContact O-N 3.44Å; C55-G75 CarbonylContact C-O 3.42Å; C55-G75 WeakPolarHBondContact CA-O 3.15Å; Q56-G75 PolarHBondContact N-O 2.9Å; Q56-G75 PolarHBondContact O-N 2.92Å |
| 76 | C | 98.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 67.5 Ų | 67.5 | 32% | 0.324 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 146.4 | 176.6 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | C49 L53 G54 | C49-C76 WeakPolarHBondContact CA-SG 3.32Å; C49-C76 HydrophobicContact CB-CB 3.79Å; C49-C76 WeakPolarHBondContact CB-SG 3.33Å; C49-C76 WeakPolarHBondContact SG-CB 3.34Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 2.93Å; L53-C76 HydrophobicContact CB-CB 4.33Å; L53-C76 HydrophobicContact CD1-CB 3.89Å; G54-C76 CarbonylContact O-C 3.51Å; G54-C76 VanDerWaalsContact O-CA 3.24Å; G54-C76 WeakPolarHBondContact O-CA 3.3Å |
| 77 | T | 97.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 64.1 Ų | 64.1 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 149.3 | -179.6 | -165.8 | 0 | 0 | 0 | 0 | 112.8 | L53 G54 Q56 A79 V103 R105 | L53-T77 WeakPolarHBondContact CA-O 3.04Å; G54-T77 PolarHBondContact N-O 2.79Å; G54-T77 PolarHBondContact O-N 3.1Å; Q56-T77 HydrophobicContact CB-CG2 3.74Å; Q56-T77 PolarHBondContact OE1-OG1 2.78Å; Q56-T77 VanDerWaalsContact OE1-OG1 3.07Å; T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.39Å; T77-A79 PolarHBondContact OG1-N 2.98Å; T77-V103 HydrophobicContact CG2-CG1 3.64Å; T77-V103 HydrophobicContact CG2-CG2 4.43Å; T77-R105 PolarHBondContact O-NH2 2.9Å |
| 78 | E | 97.1 | Very high | 96.7 | Very high | 171 Ų | 171 | 64.3 Ų | 64.3 | 80% | 0.799 | 33% | 0.334 | S | S | * | . | trans | -84.2 | -13.8 | 168.2 | -68.2 | -179.2 | 177.4 | 0 | 0 | 112.2 | L53 R105 | L53-E78 HydrophobicContact CD2-CB 4.27Å; L53-E78 HydrophobicContact CD2-CG 3.36Å; E78-R105 PolarHBondContact O-NH2 2.92Å | ||
| 79 | A | 97.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -58 | 143.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T77 V103 R105 | T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.39Å; T77-A79 PolarHBondContact OG1-N 2.98Å; A79-V103 HydrophobicContact CB-CG1 4.48Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.06Å; A79-R105 PolarHBondContact O-NH1 3.39Å; A79-R105 PolarHBondContact O-NH2 2.98Å |
| 80 | K | 96.3 | Very high | 95.6 | Very high | 184 Ų | 184 | 75.6 Ų | 75.6 | 80% | 0.8 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 154.1 | 178.2 | -67.4 | -177 | 173.9 | -179.9 | 0 | 111.2 | Q82 V103 | K80-Q82 PolarHBondContact O-N 3.09Å; K80-V103 WeakPolarHBondContact O-CB 3.49Å; K80-V103 WeakPolarHBondContact O-CG1 3.38Å |
| 81 | D | 97.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 81.2 Ų | 81.2 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 137.3 | 174 | -66.5 | -10.3 | 0 | 0 | 0 | 110.4 | V103 R105 Q106 | D81-V103 WeakPolarHBondContact CA-O 3.3Å; D81-R105 WeakPolarHBondContact OD1-CD 3.12Å; D81-R105 VanDerWaalsContact OD1-CG 3.3Å; D81-R105 WeakPolarHBondContact OD1-CG 3.39Å; D81-R105 IonicContact OD1-CZ 3.7Å; D81-R105 IonicContact OD1-NE 3.96Å; D81-R105 IonicContact OD1-NH1 2.69Å; D81-R105 PolarHBondContact OD1-NH1 2.83Å; D81-Q106 PolarHBondContact OD2-NE2 2.75Å |
| 82 | Q | 97.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 81.7 Ų | 81.7 | 34% | 0.336 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 123.3 | -175.8 | -173.3 | -158.8 | -43.2 | 0 | 0 | 108.1 | K80 T101 F102 V103 | K80-Q82 PolarHBondContact O-N 3.09Å; Q82-T101 PolarHBondContact NE2-OG1 2.9Å; Q82-F102 WeakPolarHBondContact O-CD2 2.84Å; Q82-V103 HydrophobicContact CB-CB 4.18Å; Q82-V103 HydrophobicContact CB-CG2 4.44Å; Q82-V103 PolarHBondContact N-O 2.83Å; Q82-V103 PolarHBondContact O-N 2.77Å; Q82-V103 VanDerWaalsContact O-N 3.1Å |
| 83 | E | 96.6 | Very high | 92.8 | Very high | 155 Ų | 155 | 88.2 Ų | 88.2 | 72% | 0.724 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 150.3 | 171.4 | -68.4 | -58.7 | 144.3 | 0 | 0 | 111.9 | R85 | E83-R85 PolarHBondContact O-N 3.17Å |
| 84 | P | 96.3 | Very high | 92 | Very high | 66 Ų | 66 | 88.3 Ų | 88.3 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 124.4 | 178.4 | -24.2 | 33.1 | 0 | 0 | 0 | 111.1 | Y100 F102 | P84-Y100 HydrophobicContact CB-CE2 3.86Å; P84-F102 HydrophobicContact CB-CB 4.48Å; P84-F102 HydrophobicContact CB-CD2 4.23Å; P84-F102 HydrophobicContact CB-CG 4.48Å; P84-F102 VanDerWaalsContact CD-CD2 3.45Å; P84-F102 HydrophobicContact CG-CD2 3.49Å; P84-F102 VanDerWaalsContact CG-CD2 3.49Å; P84-F102 HydrophobicContact CG-CE2 3.76Å; P84-F102 HydrophobicContact CG-CG 3.99Å; P84-F102 HydrophobicContact CG-CZ 4.42Å |
| 85 | R | 96 | Very high | 91.6 | Very high | 147 Ų | 147 | 90.9 Ų | 90.9 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.8 | -178 | -178.1 | 179.5 | 173.1 | 167.5 | 2.6 | 110.6 | E83 T87 Y100 T101 | E83-R85 PolarHBondContact O-N 3.17Å; R85-T87 PolarHBondContact NE-OG1 2.94Å; R85-Y100 CarbonylContact O-C 3.6Å; R85-Y100 VanDerWaalsContact O-CA 3.26Å; R85-Y100 WeakPolarHBondContact O-CA 3.08Å; R85-T101 PolarHBondContact N-O 2.88Å; R85-T101 PolarHBondContact O-N 2.82Å |
| 86 | V | 95.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 91.8 Ų | 91.8 | 42% | 0.424 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.8 | 165.8 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | I98 S99 Y100 | V86-I98 HydrophobicContact CG1-CG2 3.64Å; V86-S99 CarbonylContact C-O 3.55Å; V86-S99 VanDerWaalsContact CA-O 3.25Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; V86-Y100 HydrophobicContact CG2-CD2 3.91Å |
| 87 | T | 94 | Very high | 90.9 | Very high | 29 Ų | 29 | 91.2 Ų | 91.2 | 18% | 0.178 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.6 | 176.7 | -50.6 | 0 | 0 | 0 | 0 | 109.4 | R85 H89 I98 S99 | R85-T87 PolarHBondContact NE-OG1 2.94Å; T87-H89 VanDerWaalsContact CG2-NE2 3.32Å; T87-H89 WeakPolarHBondContact CG2-NE2 3.32Å; T87-I98 WeakPolarHBondContact O-CA 3.44Å; T87-S99 PolarHBondContact N-O 2.8Å; T87-S99 PolarHBondContact O-N 2.95Å; T87-S99 PolarHBondContact O-OG 3.17Å |
| 88 | E | 91.8 | Very high | 90.8 | Very high | 118 Ų | 118 | 91.1 Ų | 91.1 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 135 | 173.9 | -62.9 | -174 | -166 | 0 | 0 | 110.5 | I98 | E88-I98 HydrophobicContact CG-CD1 4.43Å; E88-I98 HydrophobicContact CG-CG1 4.19Å; E88-I98 HydrophobicContact CG-CG2 4.42Å |
| 89 | H | 87.8 | Confident | 90.7 | Very high | 85 Ų | 85 | 83.4 Ų | 83.4 | 39% | 0.394 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 113.4 | 175.7 | -60 | -86.4 | 0 | 0 | 0 | 108.3 | T87 L97 | T87-H89 VanDerWaalsContact CG2-NE2 3.32Å; T87-H89 WeakPolarHBondContact CG2-NE2 3.32Å; H89-L97 HydrophobicContact CB-CB 4.06Å; H89-L97 HydrophobicContact CB-CD2 4.07Å; H89-L97 HydrophobicContact CB-CG 4.2Å; H89-L97 PolarHBondContact N-O 3.41Å; H89-L97 PolarHBondContact O-N 2.92Å |
| 90 | R | 80.2 | Confident | 90.7 | Very high | 181 Ų | 181 | 82.4 Ų | 82.4 | 68% | 0.683 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.9 | 175.8 | -66.7 | -173.2 | -176.7 | -141.9 | -0.7 | 109.9 | ||
| 91 | M | 80.3 | Confident | 90.8 | Very high | 120 Ų | 120 | 75.1 Ų | 75.1 | 59% | 0.591 | 41% | 0.405 | S | S | * | . | trans | -114.5 | 65.3 | 179.3 | -64.4 | -169.5 | -58.8 | 0 | 0 | 110.5 | L95 | M91-L95 HydrophobicContact CB-CD2 4.49Å; M91-L95 HydrophobicContact CE-CD1 3.93Å; M91-L95 HydrophobicContact CE-CD2 3.16Å; M91-L95 HydrophobicContact CE-CG 4.1Å; M91-L95 PolarHBondContact N-O 2.97Å | ||
| 92 | G | 77.6 | Confident | 90.8 | Very high | 56 Ų | 56 | 72.9 Ų | 72.9 | 58% | 0.577 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 73.5 | -165.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 93 | P | 77.3 | Confident | 90.9 | Very high | 142 Ų | 142 | 69.7 Ų | 69.7 | 92% | 0.922 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 126.6 | 176.8 | 29.8 | -31.6 | 0 | 0 | 0 | 110.5 | ||
| 94 | G | 80.7 | Confident | 90.9 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.7 | -0.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 95 | L | 89.4 | Confident | 90.8 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | trans | -139 | 121.2 | 170.9 | -159.1 | 164.1 | 0 | 0 | 0 | 111.4 | I62 E63 M91 | I62-L95 HydrophobicContact CG2-CD2 4.09Å; E63-L95 WeakPolarHBondContact O-CA 3.24Å; M91-L95 HydrophobicContact CB-CD2 4.49Å; M91-L95 HydrophobicContact CE-CD1 3.93Å; M91-L95 HydrophobicContact CE-CD2 3.16Å; M91-L95 HydrophobicContact CE-CG 4.1Å; M91-L95 PolarHBondContact N-O 2.97Å | ||
| 96 | S | 90.3 | Very high | 90.5 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141 | 172.1 | 31.2 | 0 | 0 | 0 | 0 | 110.3 | I62 E63 | I62-S96 CarbonylContact C-O 3.53Å; I62-S96 WeakPolarHBondContact CA-O 3.25Å; E63-S96 WeakPolarHBondContact CB-OG 3.26Å; E63-S96 PolarHBondContact N-O 3.17Å; E63-S96 PolarHBondContact O-N 3.11Å; E63-S96 PolarHBondContact OE2-OG 3.43Å |
| 97 | L | 93.1 | Very high | 90.4 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 18% | 0.183 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129 | 168.9 | 161.7 | 70.2 | 0 | 0 | 0 | 108 | M60 L61 I62 H89 | M60-L97 HydrophobicContact CB-CD1 3.95Å; M60-L97 HydrophobicContact CG-CD1 4.36Å; L61-L97 CarbonylContact O-C 3.57Å; L61-L97 VanDerWaalsContact O-CA 3.31Å; L61-L97 WeakPolarHBondContact O-CA 3.32Å; I62-L97 HydrophobicContact CG1-CD1 3.66Å; H89-L97 HydrophobicContact CB-CB 4.06Å; H89-L97 HydrophobicContact CB-CD2 4.07Å; H89-L97 HydrophobicContact CB-CG 4.2Å; H89-L97 PolarHBondContact N-O 3.41Å; H89-L97 PolarHBondContact O-N 2.92Å |
| 98 | I | 93.9 | Very high | 90.5 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 9% | 0.087 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.6 | 169.2 | -53.5 | -178.9 | 0 | 0 | 0 | 107.1 | M60 L61 V86 T87 E88 L119 | M60-I98 CarbonylContact C-O 3.51Å; M60-I98 WeakPolarHBondContact CA-O 3.43Å; L61-I98 PolarHBondContact N-O 2.87Å; L61-I98 PolarHBondContact O-N 2.87Å; V86-I98 HydrophobicContact CG1-CG2 3.64Å; T87-I98 WeakPolarHBondContact O-CA 3.44Å; E88-I98 HydrophobicContact CG-CD1 4.43Å; E88-I98 HydrophobicContact CG-CG1 4.19Å; E88-I98 HydrophobicContact CG-CG2 4.42Å; I98-L119 HydrophobicContact CG2-CB 4.01Å; I98-L119 HydrophobicContact CG2-CD2 4.23Å; I98-L119 HydrophobicContact CG2-CG 3.99Å |
| 99 | S | 95.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.1 | 178.7 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | L59 V86 T87 | L59-S99 CarbonylContact O-C 3.54Å; L59-S99 VanDerWaalsContact O-CA 3.24Å; L59-S99 WeakPolarHBondContact O-CA 3.38Å; V86-S99 CarbonylContact C-O 3.55Å; V86-S99 VanDerWaalsContact CA-O 3.25Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; T87-S99 PolarHBondContact N-O 2.8Å; T87-S99 PolarHBondContact O-N 2.95Å; T87-S99 PolarHBondContact O-OG 3.17Å |
| 100 | Y | 97.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 9% | 0.086 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.1 | 167.6 | 170.9 | -80.2 | 0 | 0 | 0 | 109.4 | D57 T58 L59 P84 R85 V86 F102 L113 P118 L119 | D57-Y100 HydrophobicContact CB-CD1 4.46Å; D57-Y100 HydrophobicContact CB-CE1 3.92Å; T58-Y100 WeakPolarHBondContact CA-O 3.46Å; L59-Y100 PolarHBondContact N-O 2.69Å; L59-Y100 PolarHBondContact O-N 2.93Å; P84-Y100 HydrophobicContact CB-CE2 3.86Å; R85-Y100 CarbonylContact O-C 3.6Å; R85-Y100 VanDerWaalsContact O-CA 3.26Å; R85-Y100 WeakPolarHBondContact O-CA 3.08Å; V86-Y100 HydrophobicContact CG2-CD2 3.91Å; Y100-F102 HydrophobicContact CE1-CB 3.65Å; Y100-L113 HydrophobicContact CD1-CD2 3.68Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.42Å; Y100-L113 HydrophobicContact CE1-CD2 3.8Å; Y100-L113 HydrophobicContact CE1-CG 4.44Å; Y100-L113 HydrophobicContact CG-CD2 4.34Å; Y100-P118 HydrophobicContact CD2-CB 4.43Å; Y100-L119 HydrophobicContact CD2-CD1 4.26Å; Y100-L119 HydrophobicContact CG-CD1 4.03Å |
| 101 | T | 97.9 | Very high | 92 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.3 | 176.4 | 55.9 | 0 | 0 | 0 | 0 | 109.7 | D57 T58 Q82 R85 | D57-T101 WeakPolarHBondContact O-CA 3.22Å; T58-T101 HydrophobicContact CG2-CG2 4.47Å; Q82-T101 PolarHBondContact NE2-OG1 2.9Å; R85-T101 PolarHBondContact N-O 2.88Å; R85-T101 PolarHBondContact O-N 2.82Å |
| 102 | F | 98.3 | Very high | 92.8 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 136.9 | 174.5 | 176.5 | -132 | 0 | 0 | 0 | 109.7 | Q56 D57 Q82 P84 Y100 C104 C110 | Q56-F102 WeakPolarHBondContact CA-O 3.34Å; D57-F102 HydrophobicContact CB-CB 4.36Å; D57-F102 PolarHBondContact N-O 2.74Å; D57-F102 PolarHBondContact O-N 2.89Å; Q82-F102 WeakPolarHBondContact O-CD2 2.84Å; P84-F102 HydrophobicContact CB-CB 4.48Å; P84-F102 HydrophobicContact CB-CD2 4.23Å; P84-F102 HydrophobicContact CB-CG 4.48Å; P84-F102 VanDerWaalsContact CD-CD2 3.45Å; P84-F102 HydrophobicContact CG-CD2 3.49Å; P84-F102 VanDerWaalsContact CG-CD2 3.49Å; P84-F102 HydrophobicContact CG-CE2 3.76Å; P84-F102 HydrophobicContact CG-CG 3.99Å; P84-F102 HydrophobicContact CG-CZ 4.42Å; Y100-F102 HydrophobicContact CE1-CB 3.65Å; F102-C104 HydrophobicContact CE1-CB 3.93Å; F102-C104 VanDerWaalsContact CE1-SG 3.57Å; F102-C104 HydrophobicContact CE2-CB 4.07Å; F102-C104 HydrophobicContact CZ-CB 3.54Å; F102-C110 WeakPolarHBondContact CE1-O 3.4Å |
| 103 | V | 98.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.8 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | C55 Q56 T77 A79 K80 D81 Q82 | C55-V103 WeakPolarHBondContact O-CA 3.24Å; Q56-V103 HydrophobicContact CB-CG2 4.41Å; Q56-V103 HydrophobicContact CG-CG2 4.2Å; T77-V103 HydrophobicContact CG2-CG1 3.64Å; T77-V103 HydrophobicContact CG2-CG2 4.43Å; A79-V103 HydrophobicContact CB-CG1 4.48Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.06Å; K80-V103 WeakPolarHBondContact O-CB 3.49Å; K80-V103 WeakPolarHBondContact O-CG1 3.38Å; D81-V103 WeakPolarHBondContact CA-O 3.3Å; Q82-V103 HydrophobicContact CB-CB 4.18Å; Q82-V103 HydrophobicContact CB-CG2 4.44Å; Q82-V103 PolarHBondContact N-O 2.83Å; Q82-V103 PolarHBondContact O-N 2.77Å; Q82-V103 VanDerWaalsContact O-N 3.1Å |
| 104 | C | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.9 | -172.7 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | G54 C55 F102 C110 N111 | G54-C104 CarbonylContact C-O 3.46Å; G54-C104 WeakPolarHBondContact CA-O 3.42Å; C55-C104 PolarHBondContact N-O 2.76Å; C55-C104 PolarHBondContact O-N 2.89Å; F102-C104 HydrophobicContact CE1-CB 3.93Å; F102-C104 VanDerWaalsContact CE1-SG 3.57Å; F102-C104 HydrophobicContact CE2-CB 4.07Å; F102-C104 HydrophobicContact CZ-CB 3.54Å; C104-C110 VanDerWaalsContact C-SG 3.56Å; C104-C110 HydrophobicContact CB-CB 3.8Å; C104-C110 WeakPolarHBondContact CB-SG 3.47Å; C104-C110 WeakPolarHBondContact SG-CB 3.34Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 2.89Å; C104-N111 PolarHBondContact SG-N 2.77Å |
| 105 | R | 94.9 | Very high | 95.4 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | trans | -140.2 | -1.2 | -177.9 | -79.9 | 177.6 | -179.1 | 81.6 | 1 | 114 | G52 T77 E78 A79 D81 | G52-R105 PolarHBondContact O-NE 3.17Å; T77-R105 PolarHBondContact O-NH2 2.9Å; E78-R105 PolarHBondContact O-NH2 2.92Å; A79-R105 PolarHBondContact O-NH1 3.39Å; A79-R105 PolarHBondContact O-NH2 2.98Å; D81-R105 WeakPolarHBondContact OD1-CD 3.12Å; D81-R105 VanDerWaalsContact OD1-CG 3.3Å; D81-R105 WeakPolarHBondContact OD1-CG 3.39Å; D81-R105 IonicContact OD1-CZ 3.7Å; D81-R105 IonicContact OD1-NE 3.96Å; D81-R105 IonicContact OD1-NH1 2.69Å; D81-R105 PolarHBondContact OD1-NH1 2.83Å | ||
| 106 | Q | 88.9 | Confident | 95.7 | Very high | 133 Ų | 133 | 41.9 Ų | 41.9 | 62% | 0.621 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -77 | -30.2 | -165.7 | -61.7 | 73.5 | 30.7 | 0 | 0 | 112.5 | D81 | D81-Q106 PolarHBondContact OD2-NE2 2.75Š|
| 107 | E | 92.8 | Very high | 95.8 | Very high | 129 Ų | 129 | 45.4 Ų | 45.4 | 60% | 0.603 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -154.7 | 157.9 | -174.8 | 64.1 | -175.4 | 178.9 | 0 | 0 | 112 | C110 | E107-C110 HydrophobicContact CG-CB 3.84Å; E107-C110 WeakPolarHBondContact O-CB 3.44Å; E107-C110 PolarHBondContact O-N 3.41Å; E107-C110 PolarHBondContact O-SG 2.76Å |
| 108 | D | 96.6 | Very high | 95.6 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 138.8 | 173.9 | -74.4 | -22.4 | 0 | 0 | 0 | 111.1 | L23 C110 | L23-D108 HydrophobicContact CB-CB 4.07Å; L23-D108 PolarHBondContact N-OD1 2.95Å; L23-D108 CarbonylContact O-C 3.55Å; L23-D108 WeakPolarHBondContact O-CA 3.47Å; D108-C110 PolarHBondContact O-N 3.22Å |
| 109 | F | 97.3 | Very high | 95.3 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 22.9 | 177.7 | -48.2 | -67.9 | 0 | 0 | 0 | 114.9 | L23 Q25 N46 N111 | L23-F109 HydrophobicContact CB-CD1 4.33Å; L23-F109 HydrophobicContact CB-CE1 3.67Å; L23-F109 HydrophobicContact CB-CE2 3.99Å; L23-F109 HydrophobicContact CB-CZ 3.49Å; L23-F109 VanDerWaalsContact CB-CZ 3.49Å; L23-F109 HydrophobicContact CD1-CE2 4.03Å; L23-F109 HydrophobicContact CD1-CZ 3.73Å; L23-F109 HydrophobicContact CG-CZ 4.22Å; L23-F109 PolarHBondContact O-N 2.03Å; Q25-F109 HydrophobicContact CG-CD1 4.34Å; N46-F109 HydrophobicContact CB-CE1 3.8Å; N46-F109 HydrophobicContact CB-CZ 4.44Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.31Å; F109-N111 PolarHBondContact O-N 3.23Å; F109-N111 VanDerWaalsContact O-N 3.11Å |
| 110 | C | 97.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | trans | -56.7 | -28.4 | 178.8 | 64.2 | 0 | 0 | 0 | 0 | 113 | F102 C104 E107 D108 N112 | F102-C110 WeakPolarHBondContact CE1-O 3.4Å; C104-C110 VanDerWaalsContact C-SG 3.56Å; C104-C110 HydrophobicContact CB-CB 3.8Å; C104-C110 WeakPolarHBondContact CB-SG 3.47Å; C104-C110 WeakPolarHBondContact SG-CB 3.34Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 2.89Å; E107-C110 HydrophobicContact CG-CB 3.84Å; E107-C110 WeakPolarHBondContact O-CB 3.44Å; E107-C110 PolarHBondContact O-N 3.41Å; E107-C110 PolarHBondContact O-SG 2.76Å; D108-C110 PolarHBondContact O-N 3.22Å; C110-N112 VanDerWaalsContact C-N 3.25Å; C110-N112 PolarHBondContact O-N 3.22Å | ||
| 111 | N | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -78.6 | 65.9 | 175.8 | 72.5 | -41.8 | 0 | 0 | 0 | 112.8 | Q25 C55 Q56 D57 K74 C104 F109 L113 | Q25-N111 WeakPolarHBondContact CB-OD1 3.39Å; Q25-N111 VanDerWaalsContact CD-O 3.28Å; Q25-N111 PolarHBondContact N-OD1 2.91Å; Q25-N111 PolarHBondContact O-ND2 3.34Å; Q25-N111 PolarHBondContact OE1-O 2.91Å; C55-N111 HydrophobicContact CB-CB 3.59Å; C55-N111 VanDerWaalsContact CB-CG 3.44Å; C55-N111 WeakPolarHBondContact CB-OD1 3.38Å; Q56-N111 PolarHBondContact O-ND2 2.88Å; D57-N111 WeakPolarHBondContact OD1-CB 3.45Å; D57-N111 PolarHBondContact OD1-ND2 2.76Å; D57-N111 WeakPolarHBondContact OD2-CA 3.48Å; D57-N111 VanDerWaalsContact OD2-O 3.1Å; K74-N111 PolarHBondContact NZ-O 2.82Å; C104-N111 PolarHBondContact SG-N 2.77Å; F109-N111 PolarHBondContact O-N 3.23Å; F109-N111 VanDerWaalsContact O-N 3.11Å; N111-L113 PolarHBondContact O-N 3.16Å | ||
| 112 | N | 96.7 | Very high | 91.2 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | trans | -94.3 | 19 | -165.3 | 65.6 | 9.1 | 0 | 0 | 0 | 115.8 | D57 C110 V114 | D57-N112 PolarHBondContact OD2-N 3.05Å; C110-N112 VanDerWaalsContact C-N 3.25Å; C110-N112 PolarHBondContact O-N 3.22Å; N112-V114 PolarHBondContact O-N 2.91Å; N112-V114 VanDerWaalsContact O-N 3.11Å | ||
| 113 | L | 97 | Very high | 89 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | trans | -67.8 | 108.9 | 178.8 | -174.8 | 75.2 | 0 | 0 | 0 | 111.4 | W42 D57 L59 K74 Y100 N111 P118 | W42-L113 HydrophobicContact CZ2-CD2 4.06Å; W42-L113 HydrophobicContact CZ2-CG 3.96Å; W42-L113 PolarHBondContact NE1-O 2.88Å; D57-L113 HydrophobicContact CB-CB 4.31Å; D57-L113 WeakPolarHBondContact OD2-CB 3.36Å; D57-L113 PolarHBondContact OD2-N 2.91Å; L59-L113 HydrophobicContact CB-CD2 3.97Å; L59-L113 HydrophobicContact CD2-CD2 4.05Å; K74-L113 WeakPolarHBondContact CE-O 3.34Å; K74-L113 PolarHBondContact NZ-O 3.21Å; Y100-L113 HydrophobicContact CD1-CD2 3.68Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.42Å; Y100-L113 HydrophobicContact CE1-CD2 3.8Å; Y100-L113 HydrophobicContact CE1-CG 4.44Å; Y100-L113 HydrophobicContact CG-CD2 4.34Å; N111-L113 PolarHBondContact O-N 3.16Å; L113-P118 HydrophobicContact CD1-CB 4.48Å; L113-P118 HydrophobicContact CD1-CG 3.63Å | ||
| 114 | V | 96.8 | Very high | 86.4 | Confident | 58 Ų | 58 | 61.1 Ų | 61.1 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | trans | -110.2 | 3.2 | -176.5 | -66.6 | 0 | 0 | 0 | 0 | 114.9 | Q41 W42 P44 N112 | Q41-V114 WeakPolarHBondContact CA-O 3.24Å; W42-V114 VanDerWaalsContact CE2-C 3.43Å; W42-V114 PolarHBondContact N-O 3.26Å; P44-V114 HydrophobicContact CG-CG1 4.46Å; N112-V114 PolarHBondContact O-N 2.91Å; N112-V114 VanDerWaalsContact O-N 3.11Å | ||
| 115 | N | 95.6 | Very high | 83.8 | Confident | 41 Ų | 41 | 66 Ų | 66 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -155.8 | 164.4 | 179.1 | 65.6 | 66.6 | 0 | 0 | 0 | 112.7 | R40 Q41 W42 L117 P118 | R40-N115 CarbonylContact O-C 3.58Å; R40-N115 WeakPolarHBondContact O-CA 3.39Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; Q41-N115 HydrophobicContact CG-CB 3.99Å; W42-N115 VanDerWaalsContact CH2-CA 3.47Å; W42-N115 VanDerWaalsContact CH2-O 3.24Å; W42-N115 WeakPolarHBondContact CH2-O 3.44Å; W42-N115 VanDerWaalsContact CZ3-C 3.47Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.05Å; N115-L117 WeakPolarHBondContact OD1-CB 3.46Å; N115-L117 PolarHBondContact OD1-N 3.26Å; N115-P118 WeakPolarHBondContact O-CD 2.95Å |
| 116 | S | 95.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -85.1 | 8 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 114.4 | P39 R40 W42 P118 L119 W120 | P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.38Å; P39-S116 WeakPolarHBondContact CB-OG 3.36Å; R40-S116 PolarHBondContact N-OG 3.17Å; R40-S116 PolarHBondContact O-N 3.22Å; W42-S116 VanDerWaalsContact CH2-N 3.32Å; S116-P118 VanDerWaalsContact C-CD 3.48Å; S116-L119 PolarHBondContact O-N 3Å; S116-W120 PolarHBondContact O-N 3Å |
| 117 | L | 93.2 | Very high | 79.8 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -58.3 | -39.5 | -176.8 | -170.3 | 68.7 | 0 | 0 | 0 | 113 | P39 N115 L119 W120 | P39-L117 HydrophobicContact CB-CB 4.4Å; P39-L117 HydrophobicContact CB-CD1 4.42Å; P39-L117 HydrophobicContact CG-CD1 4.13Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.05Å; N115-L117 WeakPolarHBondContact OD1-CB 3.46Å; N115-L117 PolarHBondContact OD1-N 3.26Å; L117-L119 PolarHBondContact O-N 2.95Å; L117-W120 PolarHBondContact O-N 3.42Å |
| 118 | P | 89 | Confident | 77.5 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -64.6 | -14.2 | -178.7 | -27 | 39.7 | 0 | 0 | 0 | 115.2 | Y100 L113 N115 S116 | Y100-P118 HydrophobicContact CD2-CB 4.43Å; L113-P118 HydrophobicContact CD1-CB 4.48Å; L113-P118 HydrophobicContact CD1-CG 3.63Å; N115-P118 WeakPolarHBondContact O-CD 2.95Å; S116-P118 VanDerWaalsContact C-CD 3.48Å |
| 119 | L | 88.1 | Confident | 75.1 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -108.7 | -6.3 | 177.2 | -68.5 | 66.3 | 0 | 0 | 0 | 111.4 | L59 L61 I98 Y100 S116 L117 | L59-L119 HydrophobicContact CB-CD2 4.17Å; L59-L119 HydrophobicContact CD2-CD1 3.68Å; L59-L119 HydrophobicContact CD2-CD2 3.79Å; L59-L119 HydrophobicContact CD2-CG 4.27Å; L59-L119 HydrophobicContact CG-CD1 4.45Å; L59-L119 HydrophobicContact CG-CD2 3.78Å; L61-L119 HydrophobicContact CD1-CB 3.65Å; L61-L119 HydrophobicContact CD1-CD2 4.39Å; L61-L119 HydrophobicContact CG-CB 4.21Å; L61-L119 HydrophobicContact CG-CD2 4.03Å; I98-L119 HydrophobicContact CG2-CB 4.01Å; I98-L119 HydrophobicContact CG2-CD2 4.23Å; I98-L119 HydrophobicContact CG2-CG 3.99Å; Y100-L119 HydrophobicContact CD2-CD1 4.26Å; Y100-L119 HydrophobicContact CG-CD1 4.03Å; S116-L119 PolarHBondContact O-N 3Å; L117-L119 PolarHBondContact O-N 2.95Å |
| 120 | W | 78.3 | Confident | 72.6 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 20% | 0.197 | 42% | 0.422 | C | S | . | . | trans | -99.7 | 105 | -175.7 | -177.9 | -112.8 | 0 | 0 | 0 | 110.6 | V35 L38 S116 L117 P122 | V35-W120 HydrophobicContact CG1-CH2 3.4Å; V35-W120 HydrophobicContact CG1-CZ2 4.48Å; V35-W120 HydrophobicContact CG1-CZ3 3.83Å; L38-W120 HydrophobicContact CB-CD2 3.88Å; L38-W120 HydrophobicContact CB-CE3 3.95Å; L38-W120 HydrophobicContact CB-CG 4.35Å; L38-W120 HydrophobicContact CB-CZ2 4.49Å; L38-W120 HydrophobicContact CB-CZ3 4.32Å; L38-W120 HydrophobicContact CD1-CD2 4.24Å; L38-W120 HydrophobicContact CD1-CE3 3.51Å; L38-W120 HydrophobicContact CD1-CZ3 3.81Å; L38-W120 HydrophobicContact CG-CE3 4.37Å; S116-W120 PolarHBondContact O-N 3Å; L117-W120 PolarHBondContact O-N 3.42Å; W120-P122 HydrophobicContact CZ2-CB 4.48Å; W120-P122 HydrophobicContact CZ2-CG 4.46Å | ||
| 121 | A | 68.1 | Low | 70.2 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 60% | 0.595 | 47% | 0.466 | S | S | * | . | trans | -116 | 121.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q123 | A121-Q123 PolarHBondContact O-N 3.02Š| ||
| 122 | P | 56.8 | Low | 67.8 | Low | 95 Ų | 95 | 81 Ų | 81 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 117.7 | 174.2 | -21.8 | 30.6 | 0 | 0 | 0 | 109.4 | W120 | W120-P122 HydrophobicContact CZ2-CB 4.48Å; W120-P122 HydrophobicContact CZ2-CG 4.46Å |
| 123 | Q | 52.6 | Low | 65.4 | Low | 105 Ų | 105 | 79.1 Ų | 79.1 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 129 | 169.7 | -65.6 | -94.7 | -11.7 | 0 | 0 | 107.1 | A121 | A121-Q123 PolarHBondContact O-N 3.02Š|
| 124 | P | 44.1 | Very low | 63.1 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 139.9 | 172 | 21.1 | -28.8 | 0 | 0 | 0 | 108.9 | A126 | P124-A126 PolarHBondContact O-N 3.4Š|
| 125 | P | 43.4 | Very low | 60.8 | Low | 103 Ų | 103 | 99.2 Ų | 99.2 | 67% | 0.669 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 140 | -177.5 | 18.6 | -29.2 | 0 | 0 | 0 | 110.2 | G127 A128 | P125-G127 PolarHBondContact O-N 2.91Å; P125-A128 HydrophobicContact CG-CB 4.47Å; P125-A128 PolarHBondContact O-N 2.75Å |
| 126 | A | 51.2 | Low | 58.3 | Low | 115 Ų | 115 | 100.5 Ų | 100.5 | 95% | 0.95 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -3.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P124 | P124-A126 PolarHBondContact O-N 3.4Š|
| 127 | G | 47.9 | Very low | 55.9 | Low | 74 Ų | 74 | 112.3 Ų | 112.3 | 76% | 0.763 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -0.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P125 C129 | P125-G127 PolarHBondContact O-N 2.91Å; G127-C129 VanDerWaalsContact C-N 3.29Å; G127-C129 PolarHBondContact O-N 3.49Å |
| 128 | A | 45.5 | Very low | 53.7 | Low | 70 Ų | 70 | 110.9 Ų | 110.9 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | trans | -84.8 | 0.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P125 G130 | P125-A128 HydrophobicContact CG-CB 4.47Å; P125-A128 PolarHBondContact O-N 2.75Å; A128-G130 PolarHBondContact O-N 2.92Å | ||
| 129 | C | 45.6 | Very low | 51.6 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 72% | 0.716 | 70% | 0.695 | S | S | * | * | trans | -77.3 | 76.5 | 165.9 | -144.8 | 0 | 0 | 0 | 0 | 108.1 | G127 R131 | G127-C129 VanDerWaalsContact C-N 3.29Å; G127-C129 PolarHBondContact O-N 3.49Å; C129-R131 PolarHBondContact O-N 3.48Å | ||
| 130 | G | 44.8 | Very low | 49.8 | Very low | 50 Ų | 50 | 122.2 Ų | 122.2 | 52% | 0.515 | 73% | 0.728 | S | S | . | * | trans | -55.3 | 138.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | A128 V132 | A128-G130 PolarHBondContact O-N 2.92Å; G130-V132 PolarHBondContact O-N 2.85Å | ||
| 131 | R | 46.7 | Very low | 48.3 | Very low | 256 Ų | 256 | 125.9 Ų | 125.9 | 97% | 0.966 | 76% | 0.756 | S | S | * | * | trans | -58.6 | 86.2 | 175.5 | -69.8 | 179.5 | -170.2 | 167.3 | 2.8 | 109.8 | C129 | C129-R131 PolarHBondContact O-N 3.48Š| ||
| 132 | V | 46.7 | Very low | 47.2 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -86.1 | 114.5 | 168.5 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | G130 | G130-V132 PolarHBondContact O-N 2.85Š| ||
| 133 | G | 46.3 | Very low | 46.7 | Very low | 61 Ų | 61 | 130.9 Ų | 130.9 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -53.9 | 150.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R135 | G133-R135 PolarHBondContact O-N 2.7Š| ||
| 134 | R | 49.2 | Very low | 46.3 | Very low | 255 Ų | 255 | 132.5 Ų | 132.5 | 96% | 0.962 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -28.2 | 93.9 | 175.8 | -77 | 178.4 | 170 | 176.1 | -3.2 | 113.7 | ||
| 135 | R | 48.5 | Very low | 46.4 | Very low | 237 Ų | 237 | 135.5 Ų | 135.5 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -169.6 | 123.5 | 143.4 | -106.5 | 169.8 | -165.1 | -149.8 | 3.6 | 108 | G133 | G133-R135 PolarHBondContact O-N 2.7Š| ||
| 136 | G | 43.7 | Very low | 46.6 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -56.8 | 135.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 137 | R | 44 | Very low | 46.3 | Very low | 247 Ų | 247 | 139.6 Ų | 139.6 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | -161.5 | 174.4 | 107.3 | -106.3 | 168 | -81.2 | -120.9 | 1.6 | 105.8 | |||||
| 138 | G | 46.3 | Very low | 46.2 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -52.5 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 139 | C | 46.6 | Very low | 46.2 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 100% | 1.25 | 83% | 0.83 | S | S | * | * | trans | -42.3 | 0 | 171.6 | -57.4 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 139 of 139 residues in 79.5 ms
(Link to these results)