| 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 | 49.9 | Very low | 50.2 | Low | 202 Ų | 202 | 100.8 Ų | 100.8 | 100% | 0.995 | 61% | 0.613 | S | S | * | * | 0 | 141.5 | 0 | -62.7 | -164.7 | -160.5 | 0 | 0 | 107.5 | |||||
| 2 | L | 47.6 | Very low | 50.2 | Low | 108 Ų | 108 | 105.8 Ų | 105.8 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.9 | 176.7 | -159.8 | 85.5 | 0 | 0 | 0 | 108.3 | L61 Y63 | L2-L61 HydrophobicContact CD2-CD2 4.19Å; L2-Y63 HydrophobicContact CD1-CD1 4.32Å; L2-Y63 HydrophobicContact CD1-CD2 4.44Å; L2-Y63 HydrophobicContact CD1-CE1 3.62Å; L2-Y63 HydrophobicContact CD1-CE2 3.73Å; L2-Y63 WeakPolarHBondContact CD1-OH 3.46Å |
| 3 | G | 58.9 | Low | 50.1 | Low | 13 Ų | 13 | 108.2 Ų | 108.2 | 13% | 0.134 | 64% | 0.636 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 147.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F62 | G3-F62 PolarHBondContact N-O 3.5Å; G3-F62 VanDerWaalsContact N-O 3.1Å; G3-F62 PolarHBondContact O-N 3.38Å |
| 4 | V | 58.9 | Low | 50.1 | Low | 109 Ų | 109 | 107.4 Ų | 107.4 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121 | 121.5 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | L61 | V4-L61 HydrophobicContact CG2-CD2 4.06Å |
| 5 | A | 57.6 | Low | 50.2 | Low | 18 Ų | 18 | 110.5 Ų | 110.5 | 15% | 0.149 | 66% | 0.66 | C | S | . | * | P | Polyproline II helix | trans | -83.4 | 131 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | V36 F48 G60 F62 | A5-V36 HydrophobicContact CB-CG1 3.86Å; A5-F48 HydrophobicContact CB-CE1 3.62Å; A5-F48 HydrophobicContact CB-CZ 3.81Å; A5-G60 PolarHBondContact N-O 3.1Å; A5-G60 VanDerWaalsContact N-O 3.13Å; A5-F62 HydrophobicContact CB-CE1 4.27Å |
| 6 | A | 51.3 | Low | 50.3 | Low | 64 Ų | 64 | 107 Ų | 107 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 7 | G | 49.8 | Very low | 50.8 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 8 | M | 44.9 | Very low | 51.2 | Low | 140 Ų | 140 | 103.7 Ų | 103.7 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 121.9 | 175.2 | -64.6 | 179.1 | 111 | 0 | 0 | 109.5 | N37 | M8-N37 HydrophobicContact SD-CB 4.43Š|
| 9 | T | 45.3 | Very low | 51.9 | Low | 143 Ų | 143 | 103.8 Ų | 103.8 | 88% | 0.877 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 137 | 167.1 | 50 | 0 | 0 | 0 | 0 | 110.3 | ||
| 10 | H | 47.9 | Very low | 53.2 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 56% | 0.56 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 132 | -162.3 | -94.8 | -105.4 | 0 | 0 | 0 | 115.9 | P31 | H10-P31 PolarHBondContact CE1-O 3.04Š|
| 11 | S | 40.1 | Very low | 54.8 | Low | 118 Ų | 118 | 98 Ų | 98 | 83% | 0.825 | 61% | 0.607 | S | S | * | * | trans | -160.9 | 123.9 | 136.1 | -78.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 12 | N | 50.1 | Low | 56.5 | Low | 161 Ų | 161 | 88.4 Ų | 88.4 | 86% | 0.861 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 65 | 84.9 | 170.5 | -78.2 | -15 | 0 | 0 | 0 | 119.9 | ||
| 13 | M | 49.1 | Very low | 58.2 | Low | 136 Ų | 136 | 87.1 Ų | 87.1 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | trans | -161.9 | 48.5 | 155.3 | -114.5 | 178.9 | -158.7 | 0 | 0 | 114.5 | N15 A16 L17 | M13-N15 PolarHBondContact O-N 2.95Å; M13-A16 HydrophobicContact CB-CB 4.32Å; M13-A16 HydrophobicContact CG-CB 3.88Å; M13-A16 PolarHBondContact O-N 2.99Å; M13-A16 HydrophobicContact SD-CB 3.91Å; M13-L17 HydrophobicContact CB-CD1 4.5Å | ||
| 14 | A | 49.4 | Very low | 59.4 | Low | 97 Ų | 97 | 91.6 Ų | 91.6 | 80% | 0.802 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -14.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 15 | N | 51.6 | Low | 60.7 | Low | 155 Ų | 155 | 89.5 Ų | 89.5 | 83% | 0.829 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -15 | 177.6 | -90.5 | 10 | 0 | 0 | 0 | 115.3 | M13 | M13-N15 PolarHBondContact O-N 2.95Š|
| 16 | A | 52.7 | Low | 62.1 | Low | 54 Ų | 54 | 94.4 Ų | 94.4 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88 | -21.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | M13 | M13-A16 HydrophobicContact CB-CB 4.32Å; M13-A16 HydrophobicContact CG-CB 3.88Å; M13-A16 PolarHBondContact O-N 2.99Å; M13-A16 HydrophobicContact SD-CB 3.91Å |
| 17 | L | 58.5 | Low | 63.6 | Low | 59 Ų | 59 | 92.7 Ų | 92.7 | 31% | 0.309 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -83.9 | -14.2 | -179.3 | -81.4 | 142.5 | 0 | 0 | 0 | 114 | M13 S19 A20 I35 | M13-L17 HydrophobicContact CB-CD1 4.5Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 3.24Å; L17-I35 HydrophobicContact CD2-CD1 3.2Å |
| 18 | A | 58.2 | Low | 65.3 | Low | 96 Ų | 96 | 91.7 Ų | 91.7 | 79% | 0.793 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 19 | S | 64.9 | Low | 67.1 | Low | 105 Ų | 105 | 86.3 Ų | 86.3 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 5.2 | 176.5 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | L17 | L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.41Å |
| 20 | A | 77.5 | Confident | 68.7 | Low | 15 Ų | 15 | 82.1 Ų | 82.1 | 12% | 0.124 | 50% | 0.503 | C | S | . | . | trans | -78.3 | 126.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L17 F29 L42 | L17-A20 PolarHBondContact O-N 3.24Å; A20-F29 HydrophobicContact CB-CD2 3.95Å; A20-F29 HydrophobicContact CB-CE2 4.24Å; A20-F29 WeakPolarHBondContact O-CD2 3.48Å; A20-L42 HydrophobicContact CB-CD1 3.67Å | ||
| 21 | T | 86.4 | Confident | 69.8 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -116.7 | 142.9 | 175.6 | 55 | 0 | 0 | 0 | 0 | 110.2 | E23 G27 | T21-E23 PolarHBondContact O-N 3.13Å; T21-G27 CarbonylContact C-O 3.59Å; T21-G27 WeakPolarHBondContact CA-O 3.33Å |
| 22 | C | 85.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 51% | 0.513 | C | S | . | . | trans | -63.8 | 129.1 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | R24 C25 K26 G27 F29 L42 H44 | C22-R24 PolarHBondContact O-N 3.41Å; C22-C25 VanDerWaalsContact CB-SG 3.53Å; C22-C25 VanDerWaalsContact SG-SG 3.63Å; C22-K26 WeakPolarHBondContact O-CA 3.12Å; C22-K26 PolarHBondContact O-N 3.12Å; C22-G27 PolarHBondContact N-O 3.44Å; C22-F29 HydrophobicContact CB-CE1 4.11Å; C22-F29 HydrophobicContact CB-CE2 4.33Å; C22-F29 HydrophobicContact CB-CZ 3.68Å; C22-L42 CarbonylContact C-O 3.55Å; C22-L42 WeakPolarHBondContact CA-O 3.44Å; C22-H44 VanDerWaalsContact CB-CE1 3.46Å; C22-H44 WeakPolarHBondContact CB-CE1 2.92Å; C22-H44 WeakPolarHBondContact CB-ND1 2.87Å | ||
| 23 | E | 84.5 | Confident | 72.6 | Confident | 80 Ų | 80 | 77 Ų | 77 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29.8 | -174.2 | -176 | 52.5 | -142.4 | 0 | 0 | 112.7 | T21 K26 E41 L42 Y43 | T21-E23 PolarHBondContact O-N 3.13Å; E23-K26 WeakPolarHBondContact O-CE 3.43Å; E23-K26 PolarHBondContact O-NZ 3.21Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 3.17Å; E23-K26 IonicContact OE2-NZ 2.81Å; E23-K26 PolarHBondContact OE2-NZ 3.47Å; E23-E41 HydrophobicContact CB-CB 4.48Å; E23-L42 PolarHBondContact N-O 2.89Å; E23-Y43 HydrophobicContact CB-CD1 4.27Å; E23-Y43 HydrophobicContact CB-CE1 3.65Å; E23-Y43 HydrophobicContact CG-CE1 4.25Å |
| 24 | R | 83.4 | Confident | 74 | Confident | 107 Ų | 107 | 77.6 Ų | 77.6 | 40% | 0.404 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -54 | 178.5 | -173.7 | 178.6 | -173.6 | 138.1 | 1.2 | 114.9 | C22 Y43 C47 V49 F54 | C22-R24 PolarHBondContact O-N 3.41Å; R24-Y43 HydrophobicContact CB-CD1 4.08Å; R24-Y43 HydrophobicContact CB-CE1 4.18Å; R24-C47 HydrophobicContact CB-CB 4.09Å; R24-C47 WeakPolarHBondContact CD-O 3.44Å; R24-C47 PolarHBondContact NH1-O 2.73Å; R24-V49 VanDerWaalsContact CZ-CG2 3.46Å; R24-V49 PolarHBondContact NH1-O 3.02Å; R24-F54 VanDerWaalsContact NH2-CD1 3.32Å |
| 25 | C | 86.2 | Confident | 75.6 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -7.4 | -173.4 | 72 | 0 | 0 | 0 | 0 | 113.6 | C22 G27 H44 | C22-C25 VanDerWaalsContact CB-SG 3.53Å; C22-C25 VanDerWaalsContact SG-SG 3.63Å; C25-G27 PolarHBondContact O-N 3.02Å; C25-G27 PolarHBondContact SG-N 3.34Å; C25-G27 VanDerWaalsContact SG-N 3.43Å; C25-H44 PolarHBondContact SG-CE1 2.93Å; C25-H44 PolarHBondContact SG-ND1 2.99Å |
| 26 | K | 85.9 | Confident | 77.1 | Confident | 120 Ų | 120 | 68.2 Ų | 68.2 | 52% | 0.522 | 42% | 0.423 | S | S | . | . | trans | 58.2 | 11.6 | -176 | -53.6 | -61 | 179.4 | 179.6 | 0 | 114.8 | C22 E23 | C22-K26 WeakPolarHBondContact O-CA 3.12Å; C22-K26 PolarHBondContact O-N 3.12Å; E23-K26 WeakPolarHBondContact O-CE 3.43Å; E23-K26 PolarHBondContact O-NZ 3.21Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 3.17Å; E23-K26 IonicContact OE2-NZ 2.81Å; E23-K26 PolarHBondContact OE2-NZ 3.47Å | ||
| 27 | G | 84.3 | Confident | 78.6 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | trans | -79.2 | 155.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T21 C22 C25 | T21-G27 CarbonylContact C-O 3.59Å; T21-G27 WeakPolarHBondContact CA-O 3.33Å; C22-G27 PolarHBondContact N-O 3.44Å; C25-G27 PolarHBondContact O-N 3.02Å; C25-G27 PolarHBondContact SG-N 3.34Å; C25-G27 VanDerWaalsContact SG-N 3.43Å | ||
| 28 | G | 84.3 | Confident | 79.6 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 171.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H44 | G28-H44 PolarHBondContact O-NE2 3.39Å |
| 29 | F | 82.9 | Confident | 80.5 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 11% | 0.114 | 40% | 0.398 | C | S | . | . | trans | -104.7 | 137.8 | 176.8 | -63.7 | -78.7 | 0 | 0 | 0 | 111.4 | A20 C22 I35 L42 H44 | A20-F29 HydrophobicContact CB-CD2 3.95Å; A20-F29 HydrophobicContact CB-CE2 4.24Å; A20-F29 WeakPolarHBondContact O-CD2 3.48Å; C22-F29 HydrophobicContact CB-CE1 4.11Å; C22-F29 HydrophobicContact CB-CE2 4.33Å; C22-F29 HydrophobicContact CB-CZ 3.68Å; F29-I35 HydrophobicContact CB-CD1 3.85Å; F29-I35 HydrophobicContact CB-CG1 4.44Å; F29-I35 HydrophobicContact CD1-CD1 3.82Å; F29-I35 HydrophobicContact CD1-CG1 3.63Å; F29-I35 HydrophobicContact CD1-CG2 4.36Å; F29-I35 HydrophobicContact CD2-CD1 4.25Å; F29-I35 HydrophobicContact CE1-CD1 4.42Å; F29-I35 HydrophobicContact CE1-CG1 4.03Å; F29-I35 HydrophobicContact CE1-CG2 3.92Å; F29-I35 HydrophobicContact CG-CD1 3.71Å; F29-I35 HydrophobicContact CG-CG1 4.08Å; F29-I35 HydrophobicContact CZ-CG2 4.07Å; F29-L42 HydrophobicContact CE2-CB 3.72Å; F29-L42 HydrophobicContact CE2-CD1 4.32Å; F29-L42 HydrophobicContact CZ-CB 3.7Å; F29-H44 AromaticContact CD1-CD2 3.47Å; F29-H44 VanDerWaalsContact CD1-CD2 3.47Å; F29-H44 WeakPolarHBondContact CD1-CD2 3.43Å; F29-H44 AromaticContact CD1-NE2 3.56Å; F29-H44 AromaticContact CE1-CD2 3.5Å; F29-H44 AromaticContact CE1-CG 3.96Å; F29-H44 AromaticContact CE1-NE2 3.74Å | ||
| 30 | A | 79.9 | Confident | 81 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | trans | -77.5 | 151.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A32 E33 | A30-A32 PolarHBondContact O-N 2.75Å; A30-E33 HydrophobicContact CB-CB 4.18Å; A30-E33 PolarHBondContact N-OE2 3.1Å; A30-E33 WeakPolarHBondContact O-CB 3.33Å; A30-E33 PolarHBondContact O-N 3.16Å | ||
| 31 | P | 70.5 | Confident | 81.3 | Confident | 126 Ų | 126 | 68 Ų | 68 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.5 | -171.2 | -26.7 | 35 | 0 | 0 | 0 | 117.1 | H10 | H10-P31 PolarHBondContact CE1-O 3.04Š|
| 32 | A | 72.9 | Confident | 81.2 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 79% | 0.785 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 12 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A30 | A30-A32 PolarHBondContact O-N 2.75Š|
| 33 | E | 77 | Confident | 81.2 | Confident | 72 Ų | 72 | 68 Ų | 68 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | trans | -80.8 | 142.8 | -178.2 | -166.9 | 170.7 | -168 | 0 | 0 | 111.1 | A30 I35 H44 | A30-E33 HydrophobicContact CB-CB 4.18Å; A30-E33 PolarHBondContact N-OE2 3.1Å; A30-E33 WeakPolarHBondContact O-CB 3.33Å; A30-E33 PolarHBondContact O-N 3.16Å; E33-I35 PolarHBondContact O-N 3.46Å; E33-H44 IonicContact OE1-CD2 3.15Å; E33-H44 PolarHBondContact OE1-CD2 3.27Å; E33-H44 IonicContact OE1-NE2 3.84Å; E33-H44 IonicContact OE2-CD2 3.59Å; E33-H44 IonicContact OE2-NE2 3.73Å | ||
| 34 | K | 77.9 | Confident | 81.3 | Confident | 148 Ų | 148 | 65.2 Ų | 65.2 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | trans | -75.4 | 125.7 | 175.3 | -67.9 | -178.8 | -178.1 | 176.6 | 0 | 109.8 | E45 | K34-E45 WeakPolarHBondContact CD-OE2 3.49Š| ||
| 35 | I | 83.1 | Confident | 81.2 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 16% | 0.159 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.8 | -177.1 | -55.1 | 173.1 | 0 | 0 | 0 | 108.9 | L17 F29 E33 L42 | L17-I35 HydrophobicContact CD2-CD1 3.2Å; F29-I35 HydrophobicContact CB-CD1 3.85Å; F29-I35 HydrophobicContact CB-CG1 4.44Å; F29-I35 HydrophobicContact CD1-CD1 3.82Å; F29-I35 HydrophobicContact CD1-CG1 3.63Å; F29-I35 HydrophobicContact CD1-CG2 4.36Å; F29-I35 HydrophobicContact CD2-CD1 4.25Å; F29-I35 HydrophobicContact CE1-CD1 4.42Å; F29-I35 HydrophobicContact CE1-CG1 4.03Å; F29-I35 HydrophobicContact CE1-CG2 3.92Å; F29-I35 HydrophobicContact CG-CD1 3.71Å; F29-I35 HydrophobicContact CG-CG1 4.08Å; F29-I35 HydrophobicContact CZ-CG2 4.07Å; E33-I35 PolarHBondContact O-N 3.46Å; I35-L42 HydrophobicContact CG2-CB 4.13Å; I35-L42 HydrophobicContact CG2-CD2 3.99Å |
| 36 | V | 83.3 | Confident | 81 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 14% | 0.139 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.2 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | A5 Y43 E45 F48 | A5-V36 HydrophobicContact CB-CG1 3.86Å; V36-Y43 PolarHBondContact N-O 3.49Å; V36-Y43 PolarHBondContact O-N 2.99Å; V36-E45 HydrophobicContact CG2-CB 4.41Å; V36-F48 HydrophobicContact CB-CB 4.12Å; V36-F48 HydrophobicContact CB-CD1 4.46Å; V36-F48 HydrophobicContact CB-CG 4.18Å; V36-F48 HydrophobicContact CG1-CB 4.19Å; V36-F48 HydrophobicContact CG1-CD1 3.66Å; V36-F48 HydrophobicContact CG1-CD2 4.08Å; V36-F48 HydrophobicContact CG1-CE1 4Å; V36-F48 HydrophobicContact CG1-CE2 4.4Å; V36-F48 HydrophobicContact CG1-CG 3.7Å; V36-F48 HydrophobicContact CG1-CZ 4.36Å; V36-F48 HydrophobicContact CG2-CB 4.24Å |
| 37 | N | 82.7 | Confident | 81 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.3 | 172.9 | -173 | -27.3 | 0 | 0 | 0 | 109.2 | M8 G40 E41 L42 | M8-N37 HydrophobicContact SD-CB 4.43Å; N37-G40 PolarHBondContact OD1-N 3.48Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; N37-E41 WeakPolarHBondContact CA-O 3.5Å; N37-L42 HydrophobicContact CB-CD2 4.13Å |
| 38 | S | 81.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 111.7 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 108.6 | G40 E41 F62 K69 | S38-G40 PolarHBondContact O-N 3.34Å; S38-G40 VanDerWaalsContact O-N 3.14Å; S38-E41 PolarHBondContact N-O 3.49Å; S38-E41 WeakPolarHBondContact O-CB 3.47Å; S38-E41 PolarHBondContact O-N 3.38Å; S38-F62 VanDerWaalsContact OG-CZ 3.3Å; S38-F62 WeakPolarHBondContact OG-CZ 3.28Å; S38-K69 VanDerWaalsContact OG-CE 3.32Å; S38-K69 WeakPolarHBondContact OG-CE 3.3Å |
| 39 | N | 75.6 | Confident | 81.4 | Confident | 132 Ų | 132 | 62 Ų | 62 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 31.5 | 178.1 | -63.2 | -22.4 | 0 | 0 | 0 | 114.9 | ||
| 40 | G | 76.6 | Confident | 81.7 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 66% | 0.66 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -3.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N37 S38 | N37-G40 PolarHBondContact OD1-N 3.48Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; S38-G40 PolarHBondContact O-N 3.34Å; S38-G40 VanDerWaalsContact O-N 3.14Å |
| 41 | E | 83.5 | Confident | 82 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 34% | 0.341 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.2 | 171.6 | -59.1 | 177.6 | 133.5 | 0 | 0 | 110.2 | E23 N37 S38 Y43 K69 | E23-E41 HydrophobicContact CB-CB 4.48Å; N37-E41 WeakPolarHBondContact CA-O 3.5Å; S38-E41 PolarHBondContact N-O 3.49Å; S38-E41 WeakPolarHBondContact O-CB 3.47Å; S38-E41 PolarHBondContact O-N 3.38Å; E41-Y43 HydrophobicContact CB-CD2 4.36Å; E41-Y43 HydrophobicContact CB-CE2 3.54Å; E41-Y43 PolarHBondContact OE2-OH 3.27Å; E41-K69 IonicContact OE2-NZ 2.82Å; E41-K69 PolarHBondContact OE2-NZ 3.15Å |
| 42 | L | 84.4 | Confident | 82.8 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.6 | -178.6 | -58.9 | 176.8 | 0 | 0 | 0 | 110.5 | A20 C22 E23 F29 I35 N37 | A20-L42 HydrophobicContact CB-CD1 3.67Å; C22-L42 CarbonylContact C-O 3.55Å; C22-L42 WeakPolarHBondContact CA-O 3.44Å; E23-L42 PolarHBondContact N-O 2.89Å; F29-L42 HydrophobicContact CE2-CB 3.72Å; F29-L42 HydrophobicContact CE2-CD1 4.32Å; F29-L42 HydrophobicContact CZ-CB 3.7Å; I35-L42 HydrophobicContact CG2-CB 4.13Å; I35-L42 HydrophobicContact CG2-CD2 3.99Å; N37-L42 HydrophobicContact CB-CD2 4.13Å |
| 43 | Y | 85.6 | Confident | 83.6 | Confident | 22 Ų | 22 | 56 Ų | 56 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.2 | 179.2 | -62.4 | -85.4 | 0 | 0 | 0 | 111.3 | E23 R24 V36 E41 F48 K69 | E23-Y43 HydrophobicContact CB-CD1 4.27Å; E23-Y43 HydrophobicContact CB-CE1 3.65Å; E23-Y43 HydrophobicContact CG-CE1 4.25Å; R24-Y43 HydrophobicContact CB-CD1 4.08Å; R24-Y43 HydrophobicContact CB-CE1 4.18Å; V36-Y43 PolarHBondContact N-O 3.49Å; V36-Y43 PolarHBondContact O-N 2.99Å; E41-Y43 HydrophobicContact CB-CD2 4.36Å; E41-Y43 HydrophobicContact CB-CE2 3.54Å; E41-Y43 PolarHBondContact OE2-OH 3.27Å; Y43-F48 AromaticContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CE2 4.23Å; Y43-F48 HydrophobicContact CE2-CD2 4.23Å; Y43-F48 HydrophobicContact CE2-CE2 4.41Å; Y43-F48 HydrophobicContact CG-CB 4.49Å; Y43-F48 AromaticContact CG-CD2 3.94Å; Y43-F48 HydrophobicContact CG-CD2 3.94Å; Y43-K69 PolarHBondContact OH-NZ 2.86Å |
| 44 | H | 85.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 149 | 161.5 | -57.4 | 111.9 | 0 | 0 | 0 | 109.4 | C22 C25 G28 F29 E33 Q46 C47 F48 | C22-H44 VanDerWaalsContact CB-CE1 3.46Å; C22-H44 WeakPolarHBondContact CB-CE1 2.92Å; C22-H44 WeakPolarHBondContact CB-ND1 2.87Å; C25-H44 PolarHBondContact SG-CE1 2.93Å; C25-H44 PolarHBondContact SG-ND1 2.99Å; G28-H44 PolarHBondContact O-NE2 3.39Å; F29-H44 AromaticContact CD1-CD2 3.47Å; F29-H44 VanDerWaalsContact CD1-CD2 3.47Å; F29-H44 WeakPolarHBondContact CD1-CD2 3.43Å; F29-H44 AromaticContact CD1-NE2 3.56Å; F29-H44 AromaticContact CE1-CD2 3.5Å; F29-H44 AromaticContact CE1-CG 3.96Å; F29-H44 AromaticContact CE1-NE2 3.74Å; E33-H44 IonicContact OE1-CD2 3.15Å; E33-H44 PolarHBondContact OE1-CD2 3.27Å; E33-H44 IonicContact OE1-NE2 3.84Å; E33-H44 IonicContact OE2-CD2 3.59Å; E33-H44 IonicContact OE2-NE2 3.73Å; H44-Q46 PolarHBondContact O-N 3.12Å; H44-Q46 VanDerWaalsContact O-N 3.14Å; H44-C47 HydrophobicContact CB-CB 3.86Å; H44-C47 CarbonylContact O-C 3.43Å; H44-C47 WeakPolarHBondContact O-CA 3.45Å; H44-C47 PolarHBondContact O-N 3.24Å; H44-F48 PolarHBondContact O-N 3Å |
| 45 | E | 81.5 | Confident | 84.6 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.9 | 175.3 | -171.9 | 174 | -164.2 | 0 | 0 | 112.3 | K34 V36 Q56 | K34-E45 WeakPolarHBondContact CD-OE2 3.49Å; V36-E45 HydrophobicContact CG2-CB 4.41Å; E45-Q56 PolarHBondContact O-NE2 3.06Å |
| 46 | Q | 82.1 | Confident | 84.7 | Confident | 165 Ų | 165 | 62 Ų | 62 | 77% | 0.771 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -18.8 | 175.6 | -60.3 | 177.7 | 14.4 | 0 | 0 | 113.6 | H44 V49 | H44-Q46 PolarHBondContact O-N 3.12Å; H44-Q46 VanDerWaalsContact O-N 3.14Å; Q46-V49 WeakPolarHBondContact O-CG1 3.44Å |
| 47 | C | 85.6 | Confident | 84.8 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -22.3 | 176.8 | -75.6 | 0 | 0 | 0 | 0 | 112.3 | R24 H44 V49 | R24-C47 HydrophobicContact CB-CB 4.09Å; R24-C47 WeakPolarHBondContact CD-O 3.44Å; R24-C47 PolarHBondContact NH1-O 2.73Å; H44-C47 HydrophobicContact CB-CB 3.86Å; H44-C47 CarbonylContact O-C 3.43Å; H44-C47 WeakPolarHBondContact O-CA 3.45Å; H44-C47 PolarHBondContact O-N 3.24Å; C47-V49 PolarHBondContact O-N 3.08Å |
| 48 | F | 88.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -80.8 | 72.8 | 175.3 | -165.3 | -108.3 | 0 | 0 | 0 | 110.9 | A5 V36 Y43 H44 F57 F62 K69 | A5-F48 HydrophobicContact CB-CE1 3.62Å; A5-F48 HydrophobicContact CB-CZ 3.81Å; V36-F48 HydrophobicContact CB-CB 4.12Å; V36-F48 HydrophobicContact CB-CD1 4.46Å; V36-F48 HydrophobicContact CB-CG 4.18Å; V36-F48 HydrophobicContact CG1-CB 4.19Å; V36-F48 HydrophobicContact CG1-CD1 3.66Å; V36-F48 HydrophobicContact CG1-CD2 4.08Å; V36-F48 HydrophobicContact CG1-CE1 4Å; V36-F48 HydrophobicContact CG1-CE2 4.4Å; V36-F48 HydrophobicContact CG1-CG 3.7Å; V36-F48 HydrophobicContact CG1-CZ 4.36Å; V36-F48 HydrophobicContact CG2-CB 4.24Å; Y43-F48 AromaticContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CE2 4.23Å; Y43-F48 HydrophobicContact CE2-CD2 4.23Å; Y43-F48 HydrophobicContact CE2-CE2 4.41Å; Y43-F48 HydrophobicContact CG-CB 4.49Å; Y43-F48 AromaticContact CG-CD2 3.94Å; Y43-F48 HydrophobicContact CG-CD2 3.94Å; H44-F48 PolarHBondContact O-N 3Å; F48-F57 AromaticContact CD1-CD2 3.46Å; F48-F57 HydrophobicContact CD1-CD2 3.46Å; F48-F57 VanDerWaalsContact CD1-CD2 3.46Å; F48-F57 AromaticContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD2-CE2 4.39Å; F48-F57 AromaticContact CE1-CD2 3.27Å; F48-F57 HydrophobicContact CE1-CD2 3.27Å; F48-F57 AromaticContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CG 4.22Å; F48-F57 HydrophobicContact CE2-CE2 4.27Å; F48-F57 HydrophobicContact CG-CD2 4.23Å; F48-F57 HydrophobicContact CG-CE2 4.19Å; F48-F57 AromaticContact CZ-CD2 3.91Å; F48-F57 HydrophobicContact CZ-CD2 3.91Å; F48-F57 AromaticContact CZ-CE2 3.93Å; F48-F57 HydrophobicContact CZ-CE2 3.93Å; F48-F62 HydrophobicContact CE1-CD1 4.3Å; F48-F62 AromaticContact CZ-CD1 3.78Å; F48-F62 HydrophobicContact CZ-CD1 3.78Å; F48-F62 AromaticContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CG 4.41Å; F48-F62 HydrophobicContact CZ-CZ 4.35Å; F48-K69 HydrophobicContact CD2-CD 4.49Å; F48-K69 HydrophobicContact CE2-CD 3.67Å; F48-K69 HydrophobicContact CZ-CD 4.33Å |
| 49 | V | 88.9 | Confident | 84.2 | Confident | 15 Ų | 15 | 72 Ų | 72 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -131.2 | 157.4 | -178.1 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | R24 Q46 C47 A51 F54 Q55 Q56 | R24-V49 VanDerWaalsContact CZ-CG2 3.46Å; R24-V49 PolarHBondContact NH1-O 3.02Å; Q46-V49 WeakPolarHBondContact O-CG1 3.44Å; C47-V49 PolarHBondContact O-N 3.08Å; V49-A51 PolarHBondContact O-N 3.31Å; V49-F54 VanDerWaalsContact CB-O 3.32Å; V49-F54 WeakPolarHBondContact CB-O 3.39Å; V49-F54 HydrophobicContact CG2-CB 4.25Å; V49-F54 WeakPolarHBondContact CG2-O 3.24Å; V49-Q55 CarbonylContact C-O 3.58Å; V49-Q55 WeakPolarHBondContact CA-O 3.27Å; V49-Q55 WeakPolarHBondContact CB-O 3.49Å; V49-Q56 HydrophobicContact CG1-CB 4.5Å; V49-Q56 HydrophobicContact CG1-CG 3.76Å |
| 50 | C | 88.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -50.8 | 137.7 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | Q52 C53 F54 Q55 F57 C71 D74 | C50-Q52 PolarHBondContact O-N 2.91Å; C50-Q52 PolarHBondContact SG-N 2.93Å; C50-Q52 VanDerWaalsContact SG-N 3.43Å; C50-C53 WeakPolarHBondContact CB-SG 3.23Å; C50-F54 VanDerWaalsContact O-CA 3.25Å; C50-F54 WeakPolarHBondContact O-CA 3.44Å; C50-F54 PolarHBondContact O-N 3.28Å; C50-F54 VanDerWaalsContact O-N 3.14Å; C50-Q55 PolarHBondContact N-O 3.38Å; C50-F57 HydrophobicContact CB-CE1 4.08Å; C50-F57 HydrophobicContact CB-CZ 4.39Å; C50-C71 HydrophobicContact CB-CB 4.26Å; C50-C71 PolarHBondContact SG-N 3.18Å; C50-D74 PolarHBondContact SG-OD2 3.09Å | ||
| 51 | A | 87.9 | Confident | 84.4 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V49 R68 K69 Y70 | V49-A51 PolarHBondContact O-N 3.31Å; A51-R68 HydrophobicContact CB-CB 4.17Å; A51-K69 WeakPolarHBondContact CB-O 3.27Å; A51-K69 PolarHBondContact N-O 2.91Å; A51-Y70 HydrophobicContact CB-CD1 4.4Å; A51-Y70 HydrophobicContact CB-CE1 4.1Å |
| 52 | Q | 87.1 | Confident | 84.5 | Confident | 105 Ų | 105 | 63.1 Ų | 63.1 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -60.7 | -175.2 | -177.2 | 68.5 | 8.7 | 0 | 0 | 112.4 | C50 Y70 D74 L78 | C50-Q52 PolarHBondContact O-N 2.91Å; C50-Q52 PolarHBondContact SG-N 2.93Å; C50-Q52 VanDerWaalsContact SG-N 3.43Å; Q52-Y70 HydrophobicContact CB-CD1 4.26Å; Q52-Y70 HydrophobicContact CB-CE1 4.33Å; Q52-D74 HydrophobicContact CB-CB 4.01Å; Q52-D74 WeakPolarHBondContact CB-OD2 3.49Å; Q52-D74 HydrophobicContact CG-CB 4.27Å; Q52-L78 HydrophobicContact CB-CD1 4.23Å; Q52-L78 HydrophobicContact CG-CD1 4.08Å |
| 53 | C | 88.8 | Confident | 84.5 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7.4 | -179.6 | 66.2 | 0 | 0 | 0 | 0 | 115.1 | C50 Q55 D74 | C50-C53 WeakPolarHBondContact CB-SG 3.23Å; C53-Q55 HydrophobicContact CB-CG 4.25Å; C53-Q55 PolarHBondContact O-N 3.04Å; C53-Q55 VanDerWaalsContact O-N 3.07Å; C53-D74 WeakPolarHBondContact CB-OD2 3.3Å; C53-D74 PolarHBondContact N-OD2 2.91Å; C53-D74 PolarHBondContact SG-OD2 3.33Å |
| 54 | F | 88.6 | Confident | 84.5 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 60% | 0.601 | 33% | 0.33 | S | S | * | . | trans | 58.1 | 15.9 | -176 | -50.4 | -61.5 | 0 | 0 | 0 | 115.5 | R24 V49 C50 | R24-F54 VanDerWaalsContact NH2-CD1 3.32Å; V49-F54 VanDerWaalsContact CB-O 3.32Å; V49-F54 WeakPolarHBondContact CB-O 3.39Å; V49-F54 HydrophobicContact CG2-CB 4.25Å; V49-F54 WeakPolarHBondContact CG2-O 3.24Å; C50-F54 VanDerWaalsContact O-CA 3.25Å; C50-F54 WeakPolarHBondContact O-CA 3.44Å; C50-F54 PolarHBondContact O-N 3.28Å; C50-F54 VanDerWaalsContact O-N 3.14Å | ||
| 55 | Q | 87.8 | Confident | 84.3 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 62% | 0.621 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 148.3 | 173.4 | -60.9 | -179.3 | -1.2 | 0 | 0 | 111.1 | V49 C50 C53 | V49-Q55 CarbonylContact C-O 3.58Å; V49-Q55 WeakPolarHBondContact CA-O 3.27Å; V49-Q55 WeakPolarHBondContact CB-O 3.49Å; C50-Q55 PolarHBondContact N-O 3.38Å; C53-Q55 HydrophobicContact CB-CG 4.25Å; C53-Q55 PolarHBondContact O-N 3.04Å; C53-Q55 VanDerWaalsContact O-N 3.07Å |
| 56 | Q | 85.5 | Confident | 84.5 | Confident | 108 Ų | 108 | 72.2 Ų | 72.2 | 51% | 0.505 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 149.1 | 171 | -69.8 | 176.4 | -12.9 | 0 | 0 | 110.4 | E45 V49 P58 | E45-Q56 PolarHBondContact O-NE2 3.06Å; V49-Q56 HydrophobicContact CG1-CB 4.5Å; V49-Q56 HydrophobicContact CG1-CG 3.76Å; Q56-P58 VanDerWaalsContact O-CD 3.32Å; Q56-P58 WeakPolarHBondContact O-CD 3.19Å |
| 57 | F | 85.2 | Confident | 84.4 | Confident | 16 Ų | 16 | 67 Ų | 67 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 117.7 | -179 | -60.1 | -74.9 | 0 | 0 | 0 | 110.7 | F48 C50 E59 G60 F62 K69 C71 | F48-F57 AromaticContact CD1-CD2 3.46Å; F48-F57 HydrophobicContact CD1-CD2 3.46Å; F48-F57 VanDerWaalsContact CD1-CD2 3.46Å; F48-F57 AromaticContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD2-CE2 4.39Å; F48-F57 AromaticContact CE1-CD2 3.27Å; F48-F57 HydrophobicContact CE1-CD2 3.27Å; F48-F57 AromaticContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CG 4.22Å; F48-F57 HydrophobicContact CE2-CE2 4.27Å; F48-F57 HydrophobicContact CG-CD2 4.23Å; F48-F57 HydrophobicContact CG-CE2 4.19Å; F48-F57 AromaticContact CZ-CD2 3.91Å; F48-F57 HydrophobicContact CZ-CD2 3.91Å; F48-F57 AromaticContact CZ-CE2 3.93Å; F48-F57 HydrophobicContact CZ-CE2 3.93Å; C50-F57 HydrophobicContact CB-CE1 4.08Å; C50-F57 HydrophobicContact CB-CZ 4.39Å; F57-E59 PolarHBondContact O-N 2.82Å; F57-G60 PolarHBondContact O-N 3.42Å; F57-G60 VanDerWaalsContact O-N 3.12Å; F57-F62 HydrophobicContact CD1-CB 3.49Å; F57-F62 VanDerWaalsContact CD1-CB 3.49Å; F57-F62 HydrophobicContact CD2-CB 4.43Å; F57-F62 HydrophobicContact CE1-CB 3.54Å; F57-F62 HydrophobicContact CE2-CB 4.45Å; F57-F62 HydrophobicContact CG-CB 3.95Å; F57-F62 HydrophobicContact CZ-CB 4.03Å; F57-K69 HydrophobicContact CE2-CB 4.41Å; F57-K69 HydrophobicContact CZ-CB 3.73Å; F57-C71 HydrophobicContact CD1-CB 4.31Å |
| 58 | P | 76.7 | Confident | 84.4 | Confident | 94 Ų | 94 | 73.3 Ų | 73.3 | 61% | 0.61 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -58.5 | 129.4 | 174.9 | -19.9 | 32.4 | 0 | 0 | 0 | 109.7 | Q56 G60 L61 | Q56-P58 VanDerWaalsContact O-CD 3.32Å; Q56-P58 WeakPolarHBondContact O-CD 3.19Å; P58-G60 PolarHBondContact O-N 3Å; P58-L61 PolarHBondContact O-N 2.83Å; P58-L61 VanDerWaalsContact O-N 3.13Å |
| 59 | E | 73.9 | Confident | 84.3 | Confident | 179 Ų | 179 | 73.4 Ų | 73.4 | 84% | 0.836 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | 57.7 | 14.3 | -179.1 | -54 | -177.9 | 174.4 | 0 | 0 | 114.7 | F57 L61 | F57-E59 PolarHBondContact O-N 2.82Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.24Å |
| 60 | G | 75 | Confident | 84.2 | Confident | 15 Ų | 15 | 73.5 Ų | 73.5 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | 71.8 | 14.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | A5 F57 P58 F62 | A5-G60 PolarHBondContact N-O 3.1Å; A5-G60 VanDerWaalsContact N-O 3.13Å; F57-G60 PolarHBondContact O-N 3.42Å; F57-G60 VanDerWaalsContact O-N 3.12Å; P58-G60 PolarHBondContact O-N 3Å; G60-F62 WeakPolarHBondContact O-CD1 3.4Å |
| 61 | L | 81.7 | Confident | 84.2 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 126.9 | 177.8 | -69.1 | 172.5 | 0 | 0 | 0 | 111.7 | L2 V4 P58 E59 | L2-L61 HydrophobicContact CD2-CD2 4.19Å; V4-L61 HydrophobicContact CG2-CD2 4.06Å; P58-L61 PolarHBondContact O-N 2.83Å; P58-L61 VanDerWaalsContact O-N 3.13Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.24Å |
| 62 | F | 86.2 | Confident | 84 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 159.6 | 178.8 | 65.4 | -86.3 | 0 | 0 | 0 | 112.5 | G3 A5 S38 F48 F57 G60 K69 | G3-F62 PolarHBondContact N-O 3.5Å; G3-F62 VanDerWaalsContact N-O 3.1Å; G3-F62 PolarHBondContact O-N 3.38Å; A5-F62 HydrophobicContact CB-CE1 4.27Å; S38-F62 VanDerWaalsContact OG-CZ 3.3Å; S38-F62 WeakPolarHBondContact OG-CZ 3.28Å; F48-F62 HydrophobicContact CE1-CD1 4.3Å; F48-F62 AromaticContact CZ-CD1 3.78Å; F48-F62 HydrophobicContact CZ-CD1 3.78Å; F48-F62 AromaticContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CG 4.41Å; F48-F62 HydrophobicContact CZ-CZ 4.35Å; F57-F62 HydrophobicContact CD1-CB 3.49Å; F57-F62 VanDerWaalsContact CD1-CB 3.49Å; F57-F62 HydrophobicContact CD2-CB 4.43Å; F57-F62 HydrophobicContact CE1-CB 3.54Å; F57-F62 HydrophobicContact CE2-CB 4.45Å; F57-F62 HydrophobicContact CG-CB 3.95Å; F57-F62 HydrophobicContact CZ-CB 4.03Å; G60-F62 WeakPolarHBondContact O-CD1 3.4Å; F62-K69 HydrophobicContact CD2-CB 4.15Å; F62-K69 HydrophobicContact CD2-CD 4.24Å; F62-K69 HydrophobicContact CD2-CG 4.03Å; F62-K69 HydrophobicContact CE2-CD 4.12Å; F62-K69 HydrophobicContact CE2-CG 4.2Å |
| 63 | Y | 84 | Confident | 83.8 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 21% | 0.208 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.4 | 176 | -67.4 | -101.2 | 0 | 0 | 0 | 109.4 | L2 Y70 E72 F75 | L2-Y63 HydrophobicContact CD1-CD1 4.32Å; L2-Y63 HydrophobicContact CD1-CD2 4.44Å; L2-Y63 HydrophobicContact CD1-CE1 3.62Å; L2-Y63 HydrophobicContact CD1-CE2 3.73Å; L2-Y63 WeakPolarHBondContact CD1-OH 3.46Å; Y63-Y70 PolarHBondContact N-O 3.13Å; Y63-Y70 PolarHBondContact O-N 3.2Å; Y63-E72 HydrophobicContact CD2-CB 4.26Å; Y63-E72 HydrophobicContact CE2-CB 3.66Å; Y63-E72 HydrophobicContact CE2-CG 3.77Å; Y63-F75 AromaticContact CD1-CD1 3.54Å; Y63-F75 HydrophobicContact CD1-CD1 3.54Å; Y63-F75 AromaticContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CG 4.15Å; Y63-F75 HydrophobicContact CD1-CZ 4.46Å; Y63-F75 HydrophobicContact CD2-CB 4.34Å; Y63-F75 HydrophobicContact CD2-CD1 4.4Å; Y63-F75 HydrophobicContact CD2-CG 4.46Å; Y63-F75 HydrophobicContact CE1-CD1 4.24Å; Y63-F75 HydrophobicContact CE1-CE1 4.44Å; Y63-F75 HydrophobicContact CG-CB 4.12Å; Y63-F75 AromaticContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD2 4.42Å; Y63-F75 HydrophobicContact CG-CE1 4.18Å; Y63-F75 AromaticContact CG-CG 3.77Å; Y63-F75 HydrophobicContact CG-CG 3.77Å |
| 64 | E | 84.6 | Confident | 83.6 | Confident | 75 Ų | 75 | 77 Ų | 77 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.1 | 178.5 | -164.7 | -178.6 | 143.2 | 0 | 0 | 111.7 | R68 | E64-R68 WeakPolarHBondContact CA-O 3.33Å |
| 65 | F | 82.4 | Confident | 83.4 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 128.8 | 175.4 | -170.7 | -94.9 | 0 | 0 | 0 | 110.4 | G67 R68 Y70 F75 F79 | F65-G67 PolarHBondContact O-N 2.91Å; F65-G67 VanDerWaalsContact O-N 3.16Å; F65-R68 PolarHBondContact N-O 2.77Å; F65-R68 PolarHBondContact O-N 3.28Å; F65-Y70 HydrophobicContact CB-CD2 4.32Å; F65-Y70 HydrophobicContact CB-CE2 4.1Å; F65-F75 HydrophobicContact CB-CE2 3.83Å; F65-F75 HydrophobicContact CD2-CE2 4.36Å; F65-F75 HydrophobicContact CG-CE2 4.34Å; F65-F79 HydrophobicContact CB-CE2 4.36Å; F65-F79 HydrophobicContact CB-CZ 4.42Å; F65-F79 HydrophobicContact CD1-CD1 4.14Å; F65-F79 AromaticContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE2 4.29Å; F65-F79 AromaticContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CE1-CD1 4.01Å; F65-F79 AromaticContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CZ 4.15Å; F65-F79 HydrophobicContact CG-CE1 4.24Å; F65-F79 HydrophobicContact CG-CE2 4.41Å; F65-F79 HydrophobicContact CG-CZ 4.16Å; F65-F79 HydrophobicContact CZ-CD1 4.32Å; F65-F79 HydrophobicContact CZ-CE1 4.32Å |
| 66 | E | 84.6 | Confident | 83 | Confident | 167 Ų | 167 | 68.4 Ų | 68.4 | 78% | 0.78 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 38.6 | -176.4 | -64.6 | -177.3 | 163.9 | 0 | 0 | 113.8 | R68 | E66-R68 PolarHBondContact O-N 3.42Š|
| 67 | G | 81.1 | Confident | 82.6 | Confident | 55 Ų | 55 | 68 Ų | 68 | 57% | 0.567 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 6.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | F65 | F65-G67 PolarHBondContact O-N 2.91Å; F65-G67 VanDerWaalsContact O-N 3.16Å |
| 68 | R | 84.4 | Confident | 82.3 | Confident | 155 Ų | 155 | 71.1 Ų | 71.1 | 59% | 0.585 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.9 | 176.7 | -62.5 | -178.5 | -174.6 | -162.4 | 2.9 | 111 | A51 E64 F65 E66 Y70 | A51-R68 HydrophobicContact CB-CB 4.17Å; E64-R68 WeakPolarHBondContact CA-O 3.33Å; F65-R68 PolarHBondContact N-O 2.77Å; F65-R68 PolarHBondContact O-N 3.28Å; E66-R68 PolarHBondContact O-N 3.42Å; R68-Y70 HydrophobicContact CB-CD2 4.41Å; R68-Y70 HydrophobicContact CB-CE2 3.57Å; R68-Y70 WeakPolarHBondContact O-CD2 3.47Å |
| 69 | K | 86.9 | Confident | 82.5 | Confident | 17 Ų | 17 | 70 Ų | 70 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.1 | -176 | -58.5 | 177.1 | 174.9 | 74.3 | 0 | 109.7 | S38 E41 Y43 F48 A51 F57 F62 | S38-K69 VanDerWaalsContact OG-CE 3.32Å; S38-K69 WeakPolarHBondContact OG-CE 3.3Å; E41-K69 IonicContact OE2-NZ 2.82Å; E41-K69 PolarHBondContact OE2-NZ 3.15Å; Y43-K69 PolarHBondContact OH-NZ 2.86Å; F48-K69 HydrophobicContact CD2-CD 4.49Å; F48-K69 HydrophobicContact CE2-CD 3.67Å; F48-K69 HydrophobicContact CZ-CD 4.33Å; A51-K69 WeakPolarHBondContact CB-O 3.27Å; A51-K69 PolarHBondContact N-O 2.91Å; F57-K69 HydrophobicContact CE2-CB 4.41Å; F57-K69 HydrophobicContact CZ-CB 3.73Å; F62-K69 HydrophobicContact CD2-CB 4.15Å; F62-K69 HydrophobicContact CD2-CD 4.24Å; F62-K69 HydrophobicContact CD2-CG 4.03Å; F62-K69 HydrophobicContact CE2-CD 4.12Å; F62-K69 HydrophobicContact CE2-CG 4.2Å |
| 70 | Y | 88 | Confident | 82.9 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 146.4 | -176.6 | -62.9 | -88.2 | 0 | 0 | 0 | 110.8 | A51 Q52 Y63 F65 R68 F75 L78 F79 | A51-Y70 HydrophobicContact CB-CD1 4.4Å; A51-Y70 HydrophobicContact CB-CE1 4.1Å; Q52-Y70 HydrophobicContact CB-CD1 4.26Å; Q52-Y70 HydrophobicContact CB-CE1 4.33Å; Y63-Y70 PolarHBondContact N-O 3.13Å; Y63-Y70 PolarHBondContact O-N 3.2Å; F65-Y70 HydrophobicContact CB-CD2 4.32Å; F65-Y70 HydrophobicContact CB-CE2 4.1Å; R68-Y70 HydrophobicContact CB-CD2 4.41Å; R68-Y70 HydrophobicContact CB-CE2 3.57Å; R68-Y70 WeakPolarHBondContact O-CD2 3.47Å; Y70-F75 HydrophobicContact CD2-CD2 4.28Å; Y70-F75 HydrophobicContact CG-CD2 4.42Å; Y70-L78 HydrophobicContact CD1-CD1 3.88Å; Y70-L78 HydrophobicContact CE1-CD1 3.59Å; Y70-F79 HydrophobicContact CD1-CE2 4.26Å; Y70-F79 AromaticContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CE1-CE2 4.15Å; Y70-F79 HydrophobicContact CE1-CZ 4.29Å; Y70-F79 AromaticContact CE2-CE2 3.82Å; Y70-F79 HydrophobicContact CE2-CE2 3.82Å; Y70-F79 AromaticContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CG-CE2 4.17Å; Y70-F79 AromaticContact CZ-CE2 3.93Å; Y70-F79 AromaticContact CZ-CZ 3.81Å |
| 71 | C | 87.5 | Confident | 83.3 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | trans | -72.7 | 163 | 169.5 | 68.6 | 0 | 0 | 0 | 0 | 108.6 | C50 F57 H73 D74 F75 | C50-C71 HydrophobicContact CB-CB 4.26Å; C50-C71 PolarHBondContact SG-N 3.18Å; F57-C71 HydrophobicContact CD1-CB 4.31Å; C71-H73 VanDerWaalsContact C-N 3.26Å; C71-H73 PolarHBondContact O-N 3.4Å; C71-D74 PolarHBondContact O-N 3.14Å; C71-D74 VanDerWaalsContact SG-CB 3.59Å; C71-D74 VanDerWaalsContact SG-CG 3.51Å; C71-D74 PolarHBondContact SG-N 3.08Å; C71-D74 PolarHBondContact SG-OD2 2.89Å; C71-F75 WeakPolarHBondContact O-CB 3.09Å; C71-F75 PolarHBondContact O-N 3.45Å | ||
| 72 | E | 84 | Confident | 83.6 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.3 | -45.6 | 179.7 | -175.2 | 173.5 | -176.3 | 0 | 0 | 112.1 | Y63 Q76 | Y63-E72 HydrophobicContact CD2-CB 4.26Å; Y63-E72 HydrophobicContact CE2-CB 3.66Å; Y63-E72 HydrophobicContact CE2-CG 3.77Å; E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.38Å; E72-Q76 PolarHBondContact OE1-NE2 3.04Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.11Å |
| 73 | H | 83.7 | Confident | 83.8 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.3 | -54.2 | -179.8 | -176.8 | 72.1 | 0 | 0 | 0 | 112.6 | C71 F75 Q76 M77 | C71-H73 VanDerWaalsContact C-N 3.26Å; C71-H73 PolarHBondContact O-N 3.4Å; H73-F75 VanDerWaalsContact C-N 3.32Å; H73-F75 PolarHBondContact O-N 3.34Å; H73-Q76 PolarHBondContact O-N 3.01Å; H73-M77 VanDerWaalsContact O-CG 3.29Å; H73-M77 WeakPolarHBondContact O-CG 3.33Å; H73-M77 PolarHBondContact O-N 2.98Å |
| 74 | D | 84.6 | Confident | 84.1 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.2 | -34.2 | -178.1 | -71.6 | -22 | 0 | 0 | 0 | 111.9 | C50 Q52 C53 C71 Q76 M77 L78 | C50-D74 PolarHBondContact SG-OD2 3.09Å; Q52-D74 HydrophobicContact CB-CB 4.01Å; Q52-D74 WeakPolarHBondContact CB-OD2 3.49Å; Q52-D74 HydrophobicContact CG-CB 4.27Å; C53-D74 WeakPolarHBondContact CB-OD2 3.3Å; C53-D74 PolarHBondContact N-OD2 2.91Å; C53-D74 PolarHBondContact SG-OD2 3.33Å; C71-D74 PolarHBondContact O-N 3.14Å; C71-D74 VanDerWaalsContact SG-CB 3.59Å; C71-D74 VanDerWaalsContact SG-CG 3.51Å; C71-D74 PolarHBondContact SG-N 3.08Å; C71-D74 PolarHBondContact SG-OD2 2.89Å; D74-Q76 VanDerWaalsContact C-N 3.33Å; D74-M77 PolarHBondContact O-N 2.99Å; D74-L78 VanDerWaalsContact O-CB 3.29Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 VanDerWaalsContact O-CG 3.23Å; D74-L78 WeakPolarHBondContact O-CG 3.49Å; D74-L78 PolarHBondContact O-N 3.37Å |
| 75 | F | 84.4 | Confident | 84.3 | Confident | 45 Ų | 45 | 69.6 Ų | 69.6 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.5 | -173.2 | -103.8 | 0 | 0 | 0 | 111 | Y63 F65 Y70 C71 H73 F79 | Y63-F75 AromaticContact CD1-CD1 3.54Å; Y63-F75 HydrophobicContact CD1-CD1 3.54Å; Y63-F75 AromaticContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CG 4.15Å; Y63-F75 HydrophobicContact CD1-CZ 4.46Å; Y63-F75 HydrophobicContact CD2-CB 4.34Å; Y63-F75 HydrophobicContact CD2-CD1 4.4Å; Y63-F75 HydrophobicContact CD2-CG 4.46Å; Y63-F75 HydrophobicContact CE1-CD1 4.24Å; Y63-F75 HydrophobicContact CE1-CE1 4.44Å; Y63-F75 HydrophobicContact CG-CB 4.12Å; Y63-F75 AromaticContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD2 4.42Å; Y63-F75 HydrophobicContact CG-CE1 4.18Å; Y63-F75 AromaticContact CG-CG 3.77Å; Y63-F75 HydrophobicContact CG-CG 3.77Å; F65-F75 HydrophobicContact CB-CE2 3.83Å; F65-F75 HydrophobicContact CD2-CE2 4.36Å; F65-F75 HydrophobicContact CG-CE2 4.34Å; Y70-F75 HydrophobicContact CD2-CD2 4.28Å; Y70-F75 HydrophobicContact CG-CD2 4.42Å; C71-F75 WeakPolarHBondContact O-CB 3.09Å; C71-F75 PolarHBondContact O-N 3.45Å; H73-F75 VanDerWaalsContact C-N 3.32Å; H73-F75 PolarHBondContact O-N 3.34Å; F75-F79 AromaticContact CD2-CD2 3.33Å; F75-F79 HydrophobicContact CD2-CD2 3.33Å; F75-F79 AromaticContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CG 4.39Å; F75-F79 HydrophobicContact CE2-CB 4.43Å; F75-F79 AromaticContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CD2 3.46Å; F75-F79 VanDerWaalsContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CE2 4.01Å; F75-F79 HydrophobicContact CE2-CG 4.17Å; F75-F79 HydrophobicContact CG-CD2 4.05Å; F75-F79 HydrophobicContact CZ-CD2 4.33Å; F75-F79 WeakPolarHBondContact O-CB 3.23Å; F75-F79 VanDerWaalsContact O-CD2 3.24Å; F75-F79 WeakPolarHBondContact O-CD2 3.3Å; F75-F79 PolarHBondContact O-N 2.88Å; F75-F79 VanDerWaalsContact O-N 3.07Å |
| 76 | Q | 78.4 | Confident | 84.7 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 175.3 | -71.4 | 171.9 | 9.5 | 0 | 0 | 111.5 | E72 H73 D74 L78 F79 A80 | E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.38Å; E72-Q76 PolarHBondContact OE1-NE2 3.04Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.11Å; H73-Q76 PolarHBondContact O-N 3.01Å; D74-Q76 VanDerWaalsContact C-N 3.33Å; Q76-L78 VanDerWaalsContact C-N 3.31Å; Q76-L78 PolarHBondContact O-N 3.32Å; Q76-F79 PolarHBondContact O-N 2.82Å; Q76-A80 HydrophobicContact CB-CB 4.35Å; Q76-A80 WeakPolarHBondContact O-CA 3.5Å; Q76-A80 WeakPolarHBondContact O-CB 3.11Å; Q76-A80 PolarHBondContact O-N 2.9Å |
| 77 | M | 78.1 | Confident | 84.7 | Confident | 101 Ų | 101 | 63 Ų | 63 | 50% | 0.498 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | -179.9 | -71.3 | -68.8 | -64.4 | 0 | 0 | 113.4 | H73 D74 F89 | H73-M77 VanDerWaalsContact O-CG 3.29Å; H73-M77 WeakPolarHBondContact O-CG 3.33Å; H73-M77 PolarHBondContact O-N 2.98Å; D74-M77 PolarHBondContact O-N 2.99Å; M77-F89 HydrophobicContact CE-CZ 4.28Å; M77-F89 HydrophobicContact CG-CZ 4.38Å; M77-F89 HydrophobicContact SD-CE1 4.36Å; M77-F89 HydrophobicContact SD-CE2 3.47Å; M77-F89 WeakPolarHBondContact SD-CE2 3.36Å; M77-F89 HydrophobicContact SD-CZ 3.24Å; M77-F89 WeakPolarHBondContact SD-CZ 3.21Å |
| 78 | L | 78.4 | Confident | 85 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 42% | 0.419 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -86.6 | -29.8 | -175.6 | -68.5 | 171.9 | 0 | 0 | 0 | 113.3 | Q52 Y70 D74 Q76 | Q52-L78 HydrophobicContact CB-CD1 4.23Å; Q52-L78 HydrophobicContact CG-CD1 4.08Å; Y70-L78 HydrophobicContact CD1-CD1 3.88Å; Y70-L78 HydrophobicContact CE1-CD1 3.59Å; D74-L78 VanDerWaalsContact O-CB 3.29Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 VanDerWaalsContact O-CG 3.23Å; D74-L78 WeakPolarHBondContact O-CG 3.49Å; D74-L78 PolarHBondContact O-N 3.37Å; Q76-L78 VanDerWaalsContact C-N 3.31Å; Q76-L78 PolarHBondContact O-N 3.32Å |
| 79 | F | 80.5 | Confident | 85 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -128.5 | -16.8 | -166.4 | -50.1 | -67.8 | 0 | 0 | 0 | 114.8 | F65 Y70 F75 Q76 | F65-F79 HydrophobicContact CB-CE2 4.36Å; F65-F79 HydrophobicContact CB-CZ 4.42Å; F65-F79 HydrophobicContact CD1-CD1 4.14Å; F65-F79 AromaticContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE2 4.29Å; F65-F79 AromaticContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CE1-CD1 4.01Å; F65-F79 AromaticContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CZ 4.15Å; F65-F79 HydrophobicContact CG-CE1 4.24Å; F65-F79 HydrophobicContact CG-CE2 4.41Å; F65-F79 HydrophobicContact CG-CZ 4.16Å; F65-F79 HydrophobicContact CZ-CD1 4.32Å; F65-F79 HydrophobicContact CZ-CE1 4.32Å; Y70-F79 HydrophobicContact CD1-CE2 4.26Å; Y70-F79 AromaticContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CE1-CE2 4.15Å; Y70-F79 HydrophobicContact CE1-CZ 4.29Å; Y70-F79 AromaticContact CE2-CE2 3.82Å; Y70-F79 HydrophobicContact CE2-CE2 3.82Å; Y70-F79 AromaticContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CG-CE2 4.17Å; Y70-F79 AromaticContact CZ-CE2 3.93Å; Y70-F79 AromaticContact CZ-CZ 3.81Å; F75-F79 AromaticContact CD2-CD2 3.33Å; F75-F79 HydrophobicContact CD2-CD2 3.33Å; F75-F79 AromaticContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CG 4.39Å; F75-F79 HydrophobicContact CE2-CB 4.43Å; F75-F79 AromaticContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CD2 3.46Å; F75-F79 VanDerWaalsContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CE2 4.01Å; F75-F79 HydrophobicContact CE2-CG 4.17Å; F75-F79 HydrophobicContact CG-CD2 4.05Å; F75-F79 HydrophobicContact CZ-CD2 4.33Å; F75-F79 WeakPolarHBondContact O-CB 3.23Å; F75-F79 VanDerWaalsContact O-CD2 3.24Å; F75-F79 WeakPolarHBondContact O-CD2 3.3Å; F75-F79 PolarHBondContact O-N 2.88Å; F75-F79 VanDerWaalsContact O-N 3.07Å; Q76-F79 PolarHBondContact O-N 2.82Å |
| 80 | A | 81.4 | Confident | 84.8 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -77 | 131.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q76 C82 F89 | Q76-A80 HydrophobicContact CB-CB 4.35Å; Q76-A80 WeakPolarHBondContact O-CA 3.5Å; Q76-A80 WeakPolarHBondContact O-CB 3.11Å; Q76-A80 PolarHBondContact O-N 2.9Å; A80-C82 PolarHBondContact O-N 3.49Å; A80-F89 HydrophobicContact CB-CB 4.08Å; A80-F89 HydrophobicContact CB-CD1 3.93Å; A80-F89 HydrophobicContact CB-CG 4.3Å |
| 81 | P | 83.9 | Confident | 84.5 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 132.5 | 175.3 | 27.3 | -30.7 | 0 | 0 | 0 | 110.2 | I90 V94 | P81-I90 HydrophobicContact CG-CB 4.34Å; P81-I90 WeakPolarHBondContact O-CB 3.31Å; P81-I90 WeakPolarHBondContact O-CG1 3.24Å; P81-I90 PolarHBondContact O-N 2.95Å; P81-V94 HydrophobicContact CG-CG2 4.24Å |
| 82 | C | 88.5 | Confident | 84.2 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 45% | 0.446 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -76.2 | 141 | 170.5 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | A80 F89 | A80-C82 PolarHBondContact O-N 3.49Å; C82-F89 VanDerWaalsContact SG-CE1 3.59Å |
| 83 | C | 91.3 | Very high | 84.2 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 131 | 170.6 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | Q85 G87 E88 I90 S101 H103 | C83-Q85 PolarHBondContact O-N 3.03Å; C83-Q85 PolarHBondContact SG-N 2.06Å; C83-Q85 VanDerWaalsContact SG-N 3.38Å; C83-G87 WeakPolarHBondContact O-CA 3.49Å; C83-G87 PolarHBondContact O-N 2.85Å; C83-E88 PolarHBondContact N-O 3.44Å; C83-I90 HydrophobicContact CB-CD1 3.95Å; C83-I90 HydrophobicContact CB-CG1 3.81Å; C83-S101 WeakPolarHBondContact CA-O 3.41Å; C83-H103 VanDerWaalsContact CB-CE1 3.41Å; C83-H103 WeakPolarHBondContact CB-CE1 3.49Å; C83-H103 WeakPolarHBondContact CB-ND1 3.37Å; C83-H103 PolarHBondContact SG-ND1 2.94Å |
| 84 | H | 89.2 | Confident | 84.5 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.7 | 178.2 | -172.2 | 84.3 | 0 | 0 | 0 | 113.8 | N100 S101 W102 | H84-N100 HydrophobicContact CB-CB 3.9Å; H84-N100 PolarHBondContact CE1-ND2 3.07Å; H84-N100 PolarHBondContact ND1-ND2 3.07Å; H84-S101 PolarHBondContact N-O 3.45Å; H84-W102 HydrophobicContact CB-CD2 4.11Å; H84-W102 HydrophobicContact CB-CE3 3.99Å; H84-W102 HydrophobicContact CB-CH2 3.85Å; H84-W102 HydrophobicContact CB-CZ2 3.93Å; H84-W102 HydrophobicContact CB-CZ3 3.86Å; H84-W102 AromaticContact CD2-CH2 3.24Å; H84-W102 WeakPolarHBondContact CD2-CH2 3.33Å; H84-W102 AromaticContact CD2-CZ2 3.82Å; H84-W102 AromaticContact CD2-CZ3 3.75Å; H84-W102 AromaticContact CG-CH2 3.8Å |
| 85 | Q | 88.7 | Confident | 84.8 | Confident | 123 Ų | 123 | 68.2 Ų | 68.2 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -48.8 | -178.2 | -176.6 | 64 | 21.3 | 0 | 0 | 113 | C83 W102 C106 | C83-Q85 PolarHBondContact O-N 3.03Å; C83-Q85 PolarHBondContact SG-N 2.06Å; C83-Q85 VanDerWaalsContact SG-N 3.38Å; Q85-W102 HydrophobicContact CB-CE3 3.98Å; Q85-W102 HydrophobicContact CB-CZ3 3.95Å; Q85-C106 HydrophobicContact CB-CB 3.88Å; Q85-C106 HydrophobicContact CG-CB 4.22Å |
| 86 | C | 91.3 | Very high | 85 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -9.6 | -173.6 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | E88 H103 | C86-E88 PolarHBondContact O-N 3.26Å; C86-E88 VanDerWaalsContact O-N 3.13Å; C86-H103 PolarHBondContact SG-CE1 3.28Å; C86-H103 PolarHBondContact SG-ND1 3.14Å |
| 87 | G | 84.9 | Confident | 85.5 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | trans | 77.9 | -18.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C83 | C83-G87 WeakPolarHBondContact O-CA 3.49Å; C83-G87 PolarHBondContact O-N 2.85Å | ||
| 88 | E | 86.4 | Confident | 85.8 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | trans | -71.9 | 155.8 | -178 | -61.2 | -58.2 | 147.2 | 0 | 0 | 113.6 | C83 C86 | C83-E88 PolarHBondContact N-O 3.44Å; C86-E88 PolarHBondContact O-N 3.26Å; C86-E88 VanDerWaalsContact O-N 3.13Å | ||
| 89 | F | 83.9 | Confident | 86.2 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 25% | 0.254 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 137.1 | 175.8 | -59.1 | -66.9 | 0 | 0 | 0 | 111.7 | M77 A80 C82 H103 | M77-F89 HydrophobicContact CE-CZ 4.28Å; M77-F89 HydrophobicContact CG-CZ 4.38Å; M77-F89 HydrophobicContact SD-CE1 4.36Å; M77-F89 HydrophobicContact SD-CE2 3.47Å; M77-F89 WeakPolarHBondContact SD-CE2 3.36Å; M77-F89 HydrophobicContact SD-CZ 3.24Å; M77-F89 WeakPolarHBondContact SD-CZ 3.21Å; A80-F89 HydrophobicContact CB-CB 4.08Å; A80-F89 HydrophobicContact CB-CD1 3.93Å; A80-F89 HydrophobicContact CB-CG 4.3Å; C82-F89 VanDerWaalsContact SG-CE1 3.59Å; F89-H103 PolarHBondContact O-NE2 3.48Å; F89-H103 VanDerWaalsContact O-NE2 3.08Å |
| 90 | I | 84.4 | Confident | 86.7 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 5% | 0.046 | 40% | 0.402 | C | S | . | . | trans | -90.4 | 114.2 | 176.2 | -55.9 | 164.1 | 0 | 0 | 0 | 109.2 | P81 C83 V94 W102 H103 | P81-I90 HydrophobicContact CG-CB 4.34Å; P81-I90 WeakPolarHBondContact O-CB 3.31Å; P81-I90 WeakPolarHBondContact O-CG1 3.24Å; P81-I90 PolarHBondContact O-N 2.95Å; C83-I90 HydrophobicContact CB-CD1 3.95Å; C83-I90 HydrophobicContact CB-CG1 3.81Å; I90-V94 HydrophobicContact CD1-CG2 3.94Å; I90-V94 HydrophobicContact CG2-CB 4.1Å; I90-V94 HydrophobicContact CG2-CG2 4.41Å; I90-W102 VanDerWaalsContact CD1-C 3.41Å; I90-H103 WeakPolarHBondContact CA-NE2 3.41Å | ||
| 91 | I | 80.4 | Confident | 87.2 | Confident | 130 Ų | 130 | 73.5 Ų | 73.5 | 67% | 0.667 | 40% | 0.401 | S | S | * | . | trans | -101.8 | 122.3 | 175 | -54.9 | 174.6 | 0 | 0 | 0 | 108.3 | ||||
| 92 | G | 81.3 | Confident | 87.6 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 91.1 | -127.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V94 | G92-V94 PolarHBondContact O-N 3.09Š|
| 93 | R | 84.2 | Confident | 87.8 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | trans | -67.1 | 119.9 | -175.3 | -176.3 | -178.9 | 179.5 | -166.1 | -0.7 | 109.9 | P104 A117 D118 | R93-P104 HydrophobicContact CB-CG 4.13Å; R93-P104 HydrophobicContact CG-CG 4.04Å; R93-P104 VanDerWaalsContact O-CD 3.31Å; R93-P104 WeakPolarHBondContact O-CD 3.46Å; R93-A117 PolarHBondContact NH2-O 2.91Å; R93-D118 IonicContact CZ-OD1 3.78Å; R93-D118 VanDerWaalsContact CZ-OD1 3.28Å; R93-D118 IonicContact NH1-OD1 3.28Å; R93-D118 PolarHBondContact NH1-OD1 3.43Å; R93-D118 IonicContact NH1-OD2 2.76Å; R93-D118 IonicContact NH2-OD1 3.95Å; R93-D118 PolarHBondContact NH2-OD1 3.48Å | ||
| 94 | V | 89.3 | Confident | 87.8 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | trans | -107.4 | 134.3 | 175.9 | 60.1 | 0 | 0 | 0 | 0 | 111 | P81 I90 G92 K96 | P81-V94 HydrophobicContact CG-CG2 4.24Å; I90-V94 HydrophobicContact CD1-CG2 3.94Å; I90-V94 HydrophobicContact CG2-CB 4.1Å; I90-V94 HydrophobicContact CG2-CG2 4.41Å; G92-V94 PolarHBondContact O-N 3.09Å; V94-K96 HydrophobicContact CG2-CG 4.37Å | ||
| 95 | I | 90.9 | Very high | 87.9 | Confident | 24 Ų | 24 | 73 Ų | 73 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.9 | 168.5 | -55.7 | -57.7 | 0 | 0 | 0 | 108.1 | A97 S101 W102 P104 F107 A117 | I95-A97 HydrophobicContact CG2-CB 4.15Å; I95-S101 CarbonylContact O-C 3.56Å; I95-S101 WeakPolarHBondContact O-CA 3.41Å; I95-W102 HydrophobicContact CB-CB 4.27Å; I95-W102 PolarHBondContact N-O 2.81Å; I95-W102 PolarHBondContact O-N 2.99Å; I95-P104 HydrophobicContact CG1-CB 4.47Å; I95-P104 HydrophobicContact CG1-CG 4.33Å; I95-F107 HydrophobicContact CG2-CB 4.44Å; I95-F107 HydrophobicContact CG2-CD1 3.86Å; I95-F107 HydrophobicContact CG2-CE1 4.27Å; I95-F107 HydrophobicContact CG2-CG 4.05Å; I95-A117 HydrophobicContact CD1-CB 4.07Å; I95-A117 HydrophobicContact CG1-CB 4.28Å |
| 96 | K | 90.1 | Very high | 88.1 | Confident | 174 Ų | 174 | 68.6 Ų | 68.6 | 76% | 0.757 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 107.1 | 171.2 | -71.2 | -170.3 | 177.4 | -176 | 0 | 109.1 | V94 | V94-K96 HydrophobicContact CG2-CG 4.37Å |
| 97 | A | 87.5 | Confident | 88.2 | Confident | 10 Ų | 10 | 66 Ų | 66 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I95 N99 N100 W102 F107 F121 | I95-A97 HydrophobicContact CG2-CB 4.15Å; A97-N99 PolarHBondContact O-N 3.27Å; A97-N100 PolarHBondContact N-O 3.38Å; A97-N100 CarbonylContact O-C 3.59Å; A97-N100 PolarHBondContact O-N 2.83Å; A97-W102 PolarHBondContact O-NE1 3.24Å; A97-F107 HydrophobicContact CB-CE1 4.26Å; A97-F107 HydrophobicContact CB-CE2 3.76Å; A97-F107 HydrophobicContact CB-CZ 3.58Å; A97-F121 HydrophobicContact CB-CE1 3.88Å; A97-F121 HydrophobicContact CB-CZ 3.81Å |
| 98 | M | 85.4 | Confident | 88.6 | Confident | 41 Ų | 41 | 68.4 Ų | 68.4 | 20% | 0.202 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 36.4 | 178.9 | -55.1 | -160.7 | 62.2 | 0 | 0 | 114.1 | N100 F121 K123 G126 H128 | M98-N100 PolarHBondContact O-N 2.87Å; M98-F121 HydrophobicContact CG-CE2 4.08Å; M98-F121 HydrophobicContact CG-CZ 4.47Å; M98-K123 HydrophobicContact CE-CD 4.19Å; M98-K123 HydrophobicContact CE-CG 4.01Å; M98-G126 VanDerWaalsContact CE-C 3.43Å; M98-G126 WeakPolarHBondContact CE-O 3.45Å; M98-H128 HydrophobicContact SD-CB 3.68Å |
| 99 | N | 87.4 | Confident | 88.9 | Confident | 170 Ų | 170 | 62.4 Ų | 62.4 | 91% | 0.909 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 14.6 | -174.3 | -57.2 | -19.2 | 0 | 0 | 0 | 114.9 | A97 | A97-N99 PolarHBondContact O-N 3.27Š|
| 100 | N | 90.3 | Very high | 89.2 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 163.6 | -179.9 | -74.9 | -35.3 | 0 | 0 | 0 | 110.8 | H84 A97 M98 W102 | H84-N100 HydrophobicContact CB-CB 3.9Å; H84-N100 PolarHBondContact CE1-ND2 3.07Å; H84-N100 PolarHBondContact ND1-ND2 3.07Å; A97-N100 PolarHBondContact N-O 3.38Å; A97-N100 CarbonylContact O-C 3.59Å; A97-N100 PolarHBondContact O-N 2.83Å; M98-N100 PolarHBondContact O-N 2.87Å; N100-W102 HydrophobicContact CB-CZ2 3.79Å; N100-W102 PolarHBondContact O-NE1 3.49Å |
| 101 | S | 91.6 | Very high | 89.5 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.3 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | C83 H84 I95 | C83-S101 WeakPolarHBondContact CA-O 3.41Å; H84-S101 PolarHBondContact N-O 3.45Å; I95-S101 CarbonylContact O-C 3.56Å; I95-S101 WeakPolarHBondContact O-CA 3.41Å |
| 102 | W | 93.4 | Very high | 90 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.038 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145.5 | -174.8 | -45.7 | 79.4 | 0 | 0 | 0 | 111.2 | H84 Q85 I90 I95 A97 N100 F107 | H84-W102 HydrophobicContact CB-CD2 4.11Å; H84-W102 HydrophobicContact CB-CE3 3.99Å; H84-W102 HydrophobicContact CB-CH2 3.85Å; H84-W102 HydrophobicContact CB-CZ2 3.93Å; H84-W102 HydrophobicContact CB-CZ3 3.86Å; H84-W102 AromaticContact CD2-CH2 3.24Å; H84-W102 WeakPolarHBondContact CD2-CH2 3.33Å; H84-W102 AromaticContact CD2-CZ2 3.82Å; H84-W102 AromaticContact CD2-CZ3 3.75Å; H84-W102 AromaticContact CG-CH2 3.8Å; Q85-W102 HydrophobicContact CB-CE3 3.98Å; Q85-W102 HydrophobicContact CB-CZ3 3.95Å; I90-W102 VanDerWaalsContact CD1-C 3.41Å; I95-W102 HydrophobicContact CB-CB 4.27Å; I95-W102 PolarHBondContact N-O 2.81Å; I95-W102 PolarHBondContact O-N 2.99Å; A97-W102 PolarHBondContact O-NE1 3.24Å; N100-W102 HydrophobicContact CB-CZ2 3.79Å; N100-W102 PolarHBondContact O-NE1 3.49Å; W102-F107 HydrophobicContact CB-CB 3.88Å; W102-F107 HydrophobicContact CB-CD2 4.19Å; W102-F107 HydrophobicContact CB-CG 4.37Å; W102-F107 AromaticContact CD1-CD2 3.88Å; W102-F107 AromaticContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CE2 4.45Å; W102-F107 HydrophobicContact CE3-CD2 4.28Å; W102-F107 HydrophobicContact CG-CB 4.31Å; W102-F107 AromaticContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CE2 4.49Å; W102-F107 HydrophobicContact CG-CG 4.34Å |
| 103 | H | 92 | Very high | 90.5 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | trans | -64.8 | 147.9 | 160.9 | -59.8 | 98.6 | 0 | 0 | 0 | 109.3 | C83 C86 F89 I90 E105 C106 F107 | C83-H103 VanDerWaalsContact CB-CE1 3.41Å; C83-H103 WeakPolarHBondContact CB-CE1 3.49Å; C83-H103 WeakPolarHBondContact CB-ND1 3.37Å; C83-H103 PolarHBondContact SG-ND1 2.94Å; C86-H103 PolarHBondContact SG-CE1 3.28Å; C86-H103 PolarHBondContact SG-ND1 3.14Å; F89-H103 PolarHBondContact O-NE2 3.48Å; F89-H103 VanDerWaalsContact O-NE2 3.08Å; I90-H103 WeakPolarHBondContact CA-NE2 3.41Å; H103-E105 PolarHBondContact O-N 3.05Å; H103-C106 HydrophobicContact CB-CB 3.94Å; H103-C106 PolarHBondContact O-N 3.41Å; H103-F107 PolarHBondContact O-N 3.15Å | ||
| 104 | P | 91.3 | Very high | 90.8 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -43.8 | 174.4 | -28.1 | 35.9 | 0 | 0 | 0 | 112.1 | R93 I95 C106 V115 A117 | R93-P104 HydrophobicContact CB-CG 4.13Å; R93-P104 HydrophobicContact CG-CG 4.04Å; R93-P104 VanDerWaalsContact O-CD 3.31Å; R93-P104 WeakPolarHBondContact O-CD 3.46Å; I95-P104 HydrophobicContact CG1-CB 4.47Å; I95-P104 HydrophobicContact CG1-CG 4.33Å; P104-C106 VanDerWaalsContact C-N 3.35Å; P104-C106 PolarHBondContact O-N 3.02Å; P104-V115 WeakPolarHBondContact O-CG1 3.19Å; P104-A117 HydrophobicContact CB-CB 3.86Å |
| 105 | E | 91.9 | Very high | 90.9 | Very high | 141 Ų | 141 | 62.7 Ų | 62.7 | 66% | 0.659 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.2 | 179.7 | -60.7 | -177.9 | -173.4 | 0 | 0 | 114 | H103 R108 | H103-E105 PolarHBondContact O-N 3.05Å; E105-R108 WeakPolarHBondContact O-CG 3.35Å; E105-R108 PolarHBondContact O-NE 2.91Å; E105-R108 PolarHBondContact O-NH2 3.49Å |
| 106 | C | 91.6 | Very high | 91 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -19 | 179.8 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | Q85 H103 P104 R108 | Q85-C106 HydrophobicContact CB-CB 3.88Å; Q85-C106 HydrophobicContact CG-CB 4.22Å; H103-C106 HydrophobicContact CB-CB 3.94Å; H103-C106 PolarHBondContact O-N 3.41Å; P104-C106 VanDerWaalsContact C-N 3.35Å; P104-C106 PolarHBondContact O-N 3.02Å; C106-R108 PolarHBondContact O-N 3.42Å; C106-R108 VanDerWaalsContact O-N 3.09Å |
| 107 | F | 93.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | trans | -82.1 | 85.7 | 176.9 | -167.3 | -117.9 | 0 | 0 | 0 | 110.6 | I95 A97 W102 H103 L116 F121 H128 | I95-F107 HydrophobicContact CG2-CB 4.44Å; I95-F107 HydrophobicContact CG2-CD1 3.86Å; I95-F107 HydrophobicContact CG2-CE1 4.27Å; I95-F107 HydrophobicContact CG2-CG 4.05Å; A97-F107 HydrophobicContact CB-CE1 4.26Å; A97-F107 HydrophobicContact CB-CE2 3.76Å; A97-F107 HydrophobicContact CB-CZ 3.58Å; W102-F107 HydrophobicContact CB-CB 3.88Å; W102-F107 HydrophobicContact CB-CD2 4.19Å; W102-F107 HydrophobicContact CB-CG 4.37Å; W102-F107 AromaticContact CD1-CD2 3.88Å; W102-F107 AromaticContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CE2 4.45Å; W102-F107 HydrophobicContact CE3-CD2 4.28Å; W102-F107 HydrophobicContact CG-CB 4.31Å; W102-F107 AromaticContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CE2 4.49Å; W102-F107 HydrophobicContact CG-CG 4.34Å; H103-F107 PolarHBondContact O-N 3.15Å; F107-L116 HydrophobicContact CD1-CB 3.61Å; F107-L116 HydrophobicContact CD1-CD1 4.44Å; F107-L116 HydrophobicContact CE1-CB 3.74Å; F107-L116 HydrophobicContact CE1-CD1 4.14Å; F107-L116 HydrophobicContact CZ-CD1 4.45Å; F107-L116 WeakPolarHBondContact O-CB 3.38Å; F107-L116 PolarHBondContact O-N 3.49Å; F107-F121 HydrophobicContact CE1-CB 4.25Å; F107-F121 AromaticContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CE1 4.03Å; F107-F121 AromaticContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CZ-CB 4.39Å; F107-F121 AromaticContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD2 4.04Å; F107-F121 AromaticContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE2 4.21Å; F107-F121 AromaticContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CZ 4.11Å; F107-H128 AromaticContact CD2-CD2 3.94Å; F107-H128 HydrophobicContact CE2-CB 4.05Å; F107-H128 AromaticContact CE2-CD2 3.62Å; F107-H128 AromaticContact CE2-CG 3.85Å; F107-H128 HydrophobicContact CZ-CB 3.99Å | ||
| 108 | R | 93.3 | Very high | 90.8 | Very high | 98 Ų | 98 | 59.7 Ų | 59.7 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -116.6 | 150.5 | -171.2 | -67.8 | 176.3 | -178.2 | -109.7 | -0.3 | 112.2 | E105 C106 D110 Q113 E114 V115 H128 | E105-R108 WeakPolarHBondContact O-CG 3.35Å; E105-R108 PolarHBondContact O-NE 2.91Å; E105-R108 PolarHBondContact O-NH2 3.49Å; C106-R108 PolarHBondContact O-N 3.42Å; C106-R108 VanDerWaalsContact O-N 3.09Å; R108-D110 PolarHBondContact O-N 3.28Å; R108-Q113 WeakPolarHBondContact CD-O 3.24Å; R108-Q113 PolarHBondContact NH1-O 3.02Å; R108-E114 CarbonylContact C-O 3.56Å; R108-E114 VanDerWaalsContact CA-O 3.25Å; R108-E114 WeakPolarHBondContact CA-O 3.42Å; R108-V115 HydrophobicContact CG-CG2 4.11Å; R108-H128 PolarHBondContact O-CD2 3.46Å; R108-H128 PolarHBondContact O-NE2 2.79Å |
| 109 | C | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -60.3 | 127.9 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | L111 C112 Q113 E114 L116 C130 | C109-L111 PolarHBondContact O-N 3.43Å; C109-L111 VanDerWaalsContact O-N 3.08Å; C109-C112 WeakPolarHBondContact CB-SG 3.45Å; C109-C112 PolarHBondContact O-N 2.85Å; C109-C112 VanDerWaalsContact SG-SG 3.63Å; C109-Q113 VanDerWaalsContact O-CA 3.25Å; C109-Q113 WeakPolarHBondContact O-CA 3.08Å; C109-Q113 PolarHBondContact O-N 3.49Å; C109-Q113 PolarHBondContact O-NE2 3.33Å; C109-E114 PolarHBondContact N-O 2.83Å; C109-L116 HydrophobicContact CB-CD1 4.23Å; C109-L116 HydrophobicContact CB-CD2 4.08Å; C109-L116 HydrophobicContact CB-CG 4.27Å; C109-C130 HydrophobicContact CB-CB 4.23Å; C109-C130 PolarHBondContact SG-N 3.46Å | ||
| 110 | D | 90.9 | Very high | 90.6 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.3 | -180 | -168.8 | 67.1 | 0 | 0 | 0 | 113 | R108 Q113 R127 H128 L129 | R108-D110 PolarHBondContact O-N 3.28Å; D110-Q113 PolarHBondContact O-NE2 2.98Å; D110-Q113 VanDerWaalsContact O-NE2 3.13Å; D110-R127 HydrophobicContact CB-CB 4.38Å; D110-R127 WeakPolarHBondContact OD2-CD 3.15Å; D110-H128 PolarHBondContact N-O 2.83Å; D110-H128 VanDerWaalsContact N-O 3.16Å; D110-L129 HydrophobicContact CB-CD2 3.8Å |
| 111 | L | 89.3 | Confident | 90.7 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -46.7 | -178.8 | -67.5 | 176.7 | 0 | 0 | 0 | 115.9 | C109 L129 C133 E137 | C109-L111 PolarHBondContact O-N 3.43Å; C109-L111 VanDerWaalsContact O-N 3.08Å; L111-L129 HydrophobicContact CB-CD2 4.34Å; L111-L129 HydrophobicContact CD1-CD1 4.36Å; L111-L129 HydrophobicContact CD1-CD2 3.91Å; L111-L129 HydrophobicContact CG-CD2 3.76Å; L111-C133 HydrophobicContact CB-CB 4.13Å; L111-C133 HydrophobicContact CD1-CB 3.95Å; L111-E137 HydrophobicContact CD1-CG 3.85Å |
| 112 | C | 91.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 56.9 Ų | 56.9 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -5 | -174.9 | 68 | 0 | 0 | 0 | 0 | 114.6 | C109 E114 C130 | C109-C112 WeakPolarHBondContact CB-SG 3.45Å; C109-C112 PolarHBondContact O-N 2.85Å; C109-C112 VanDerWaalsContact SG-SG 3.63Å; C112-E114 PolarHBondContact O-N 3.44Å; C112-E114 VanDerWaalsContact O-N 3.08Å; C112-E114 VanDerWaalsContact SG-CB 3.57Å; C112-C130 VanDerWaalsContact SG-SG 3.7Å |
| 113 | Q | 91 | Very high | 90.4 | Very high | 101 Ų | 101 | 63 Ų | 63 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | trans | 61 | 12.8 | 179.9 | -58.4 | -62.2 | -40.3 | 0 | 0 | 115.5 | R108 C109 D110 | R108-Q113 WeakPolarHBondContact CD-O 3.24Å; R108-Q113 PolarHBondContact NH1-O 3.02Å; C109-Q113 VanDerWaalsContact O-CA 3.25Å; C109-Q113 WeakPolarHBondContact O-CA 3.08Å; C109-Q113 PolarHBondContact O-N 3.49Å; C109-Q113 PolarHBondContact O-NE2 3.33Å; D110-Q113 PolarHBondContact O-NE2 2.98Å; D110-Q113 VanDerWaalsContact O-NE2 3.13Å | ||
| 114 | E | 90.4 | Very high | 90.2 | Very high | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | trans | -72.3 | 141 | 174.2 | -167.7 | 173.9 | -166.8 | 0 | 0 | 110.8 | R108 C109 C112 L116 I119 | R108-E114 CarbonylContact C-O 3.56Å; R108-E114 VanDerWaalsContact CA-O 3.25Å; R108-E114 WeakPolarHBondContact CA-O 3.42Å; C109-E114 PolarHBondContact N-O 2.83Å; C112-E114 PolarHBondContact O-N 3.44Å; C112-E114 VanDerWaalsContact O-N 3.08Å; C112-E114 VanDerWaalsContact SG-CB 3.57Å; E114-L116 PolarHBondContact O-N 3.19Å; E114-I119 HydrophobicContact CG-CD1 3.86Å; E114-I119 WeakPolarHBondContact OE1-CD1 3.22Å | ||
| 115 | V | 92.5 | Very high | 89.8 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 123.6 | -178.3 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | P104 R108 A117 I119 | P104-V115 WeakPolarHBondContact O-CG1 3.19Å; R108-V115 HydrophobicContact CG-CG2 4.11Å; V115-A117 HydrophobicContact CG1-CB 3.92Å; V115-I119 VanDerWaalsContact O-CD1 3.29Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å |
| 116 | L | 92.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | trans | -93.4 | -5.2 | -173.7 | -64.6 | 172.4 | 0 | 0 | 0 | 113.9 | F107 C109 E114 D118 I119 G120 F121 H128 C130 | F107-L116 HydrophobicContact CD1-CB 3.61Å; F107-L116 HydrophobicContact CD1-CD1 4.44Å; F107-L116 HydrophobicContact CE1-CB 3.74Å; F107-L116 HydrophobicContact CE1-CD1 4.14Å; F107-L116 HydrophobicContact CZ-CD1 4.45Å; F107-L116 WeakPolarHBondContact O-CB 3.38Å; F107-L116 PolarHBondContact O-N 3.49Å; C109-L116 HydrophobicContact CB-CD1 4.23Å; C109-L116 HydrophobicContact CB-CD2 4.08Å; C109-L116 HydrophobicContact CB-CG 4.27Å; E114-L116 PolarHBondContact O-N 3.19Å; L116-D118 PolarHBondContact O-N 2.82Å; L116-D118 VanDerWaalsContact O-N 3.13Å; L116-I119 PolarHBondContact O-N 3.23Å; L116-G120 PolarHBondContact O-N 2.98Å; L116-F121 HydrophobicContact CB-CB 4.38Å; L116-F121 HydrophobicContact CD1-CB 3.77Å; L116-F121 HydrophobicContact CD2-CB 4.4Å; L116-F121 HydrophobicContact CG-CB 4.42Å; L116-H128 HydrophobicContact CD1-CB 4.28Å; L116-C130 HydrophobicContact CD2-CB 3.62Å | ||
| 117 | A | 87.8 | Confident | 89.3 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -35.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R93 I95 P104 V115 | R93-A117 PolarHBondContact NH2-O 2.91Å; I95-A117 HydrophobicContact CD1-CB 4.07Å; I95-A117 HydrophobicContact CG1-CB 4.28Å; P104-A117 HydrophobicContact CB-CB 3.86Å; V115-A117 HydrophobicContact CG1-CB 3.92Å |
| 118 | D | 85.3 | Confident | 89.2 | Confident | 125 Ų | 125 | 65 Ų | 65 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -15.9 | -177.1 | -56.5 | -47.3 | 0 | 0 | 0 | 113.4 | R93 L116 | R93-D118 IonicContact CZ-OD1 3.78Å; R93-D118 VanDerWaalsContact CZ-OD1 3.28Å; R93-D118 IonicContact NH1-OD1 3.28Å; R93-D118 PolarHBondContact NH1-OD1 3.43Å; R93-D118 IonicContact NH1-OD2 2.76Å; R93-D118 IonicContact NH2-OD1 3.95Å; R93-D118 PolarHBondContact NH2-OD1 3.48Å; L116-D118 PolarHBondContact O-N 2.82Å; L116-D118 VanDerWaalsContact O-N 3.13Å |
| 119 | I | 83.9 | Confident | 89.1 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 43% | 0.431 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -27.8 | -178.4 | -53.5 | 177.3 | 0 | 0 | 0 | 111.1 | E114 V115 L116 | E114-I119 HydrophobicContact CG-CD1 3.86Å; E114-I119 WeakPolarHBondContact OE1-CD1 3.22Å; V115-I119 VanDerWaalsContact O-CD1 3.29Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å; L116-I119 PolarHBondContact O-N 3.23Å |
| 120 | G | 84.4 | Confident | 89 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | trans | 80.2 | 164.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L116 | L116-G120 PolarHBondContact O-N 2.98Š| ||
| 121 | F | 92.2 | Very high | 88.9 | Confident | 77 Ų | 77 | 65 Ų | 65 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | trans | -139.1 | 163.3 | -171.5 | 77.6 | -79.6 | 0 | 0 | 0 | 112.5 | A97 M98 F107 L116 H128 L129 | A97-F121 HydrophobicContact CB-CE1 3.88Å; A97-F121 HydrophobicContact CB-CZ 3.81Å; M98-F121 HydrophobicContact CG-CE2 4.08Å; M98-F121 HydrophobicContact CG-CZ 4.47Å; F107-F121 HydrophobicContact CE1-CB 4.25Å; F107-F121 AromaticContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CE1 4.03Å; F107-F121 AromaticContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CZ-CB 4.39Å; F107-F121 AromaticContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD2 4.04Å; F107-F121 AromaticContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE2 4.21Å; F107-F121 AromaticContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CZ 4.11Å; L116-F121 HydrophobicContact CB-CB 4.38Å; L116-F121 HydrophobicContact CD1-CB 3.77Å; L116-F121 HydrophobicContact CD2-CB 4.4Å; L116-F121 HydrophobicContact CG-CB 4.42Å; F121-H128 HydrophobicContact CD2-CB 3.83Å; F121-H128 HydrophobicContact CE2-CB 4.39Å; F121-H128 HydrophobicContact CG-CB 4.49Å; F121-L129 WeakPolarHBondContact CA-O 3.29Å | ||
| 122 | V | 90.9 | Very high | 88.8 | Confident | 42 Ų | 42 | 63 Ų | 63 | 26% | 0.255 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.7 | 170.9 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | L129 R131 H134 | V122-L129 PolarHBondContact N-O 3.02Å; V122-L129 PolarHBondContact O-N 3.2Å; V122-R131 HydrophobicContact CG2-CG 4Å; V122-H134 HydrophobicContact CB-CB 4.3Å |
| 123 | K | 89.7 | Confident | 88.6 | Confident | 139 Ų | 139 | 60.6 Ų | 60.6 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.8 | 174.3 | -174.5 | 179.2 | 177.5 | -178.2 | 0 | 109.3 | M98 R127 | M98-K123 HydrophobicContact CE-CD 4.19Å; M98-K123 HydrophobicContact CE-CG 4.01Å; K123-R127 CarbonylContact C-O 3.53Å; K123-R127 WeakPolarHBondContact CA-O 3.2Å |
| 124 | N | 86.6 | Confident | 88.6 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 110.6 | 176.7 | -170.8 | 27.8 | 0 | 0 | 0 | 110.5 | G126 R127 L129 E137 | N124-G126 PolarHBondContact O-N 3.47Å; N124-G126 VanDerWaalsContact O-N 3.15Å; N124-R127 PolarHBondContact N-O 3.02Å; N124-R127 WeakPolarHBondContact O-CB 3.26Å; N124-R127 PolarHBondContact O-N 2.74Å; N124-L129 HydrophobicContact CB-CD1 3.79Å; N124-L129 HydrophobicContact CB-CG 4.47Å; N124-E137 PolarHBondContact ND2-OE2 3.01Å |
| 125 | A | 83.7 | Confident | 88.4 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 79% | 0.785 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R127 | A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 2.9Å |
| 126 | G | 83.9 | Confident | 88 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 0.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | M98 N124 | M98-G126 VanDerWaalsContact CE-C 3.43Å; M98-G126 WeakPolarHBondContact CE-O 3.45Å; N124-G126 PolarHBondContact O-N 3.47Å; N124-G126 VanDerWaalsContact O-N 3.15Å |
| 127 | R | 88.6 | Confident | 87.7 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 152.4 | 171.9 | -60.2 | 177.7 | -70.7 | 161 | 4.5 | 111.4 | D110 K123 N124 A125 L129 E137 | D110-R127 HydrophobicContact CB-CB 4.38Å; D110-R127 WeakPolarHBondContact OD2-CD 3.15Å; K123-R127 CarbonylContact C-O 3.53Å; K123-R127 WeakPolarHBondContact CA-O 3.2Å; N124-R127 PolarHBondContact N-O 3.02Å; N124-R127 WeakPolarHBondContact O-CB 3.26Å; N124-R127 PolarHBondContact O-N 2.74Å; A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 2.9Å; R127-L129 HydrophobicContact CB-CD2 4.41Å; R127-L129 HydrophobicContact CB-CG 4.42Å; R127-E137 IonicContact CZ-OE1 2.78Å; R127-E137 VanDerWaalsContact CZ-OE1 3.28Å; R127-E137 IonicContact CZ-OE2 3.28Å; R127-E137 IonicContact NH1-OE1 3.78Å; R127-E137 PolarHBondContact NH1-OE1 2.89Å; R127-E137 IonicContact NH1-OE2 2.86Å; R127-E137 IonicContact NH2-OE1 2.76Å; R127-E137 PolarHBondContact NH2-OE1 3.16Å; R127-E137 IonicContact NH2-OE2 2.81Å; R127-E137 PolarHBondContact NH2-OE2 2.99Å |
| 128 | H | 90.8 | Very high | 87.5 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 109.5 | 174.3 | 43.9 | -68.9 | 0 | 0 | 0 | 108.8 | M98 F107 R108 D110 L116 F121 | M98-H128 HydrophobicContact SD-CB 3.68Å; F107-H128 AromaticContact CD2-CD2 3.94Å; F107-H128 HydrophobicContact CE2-CB 4.05Å; F107-H128 AromaticContact CE2-CD2 3.62Å; F107-H128 AromaticContact CE2-CG 3.85Å; F107-H128 HydrophobicContact CZ-CB 3.99Å; R108-H128 PolarHBondContact O-CD2 3.46Å; R108-H128 PolarHBondContact O-NE2 2.79Å; D110-H128 PolarHBondContact N-O 2.83Å; D110-H128 VanDerWaalsContact N-O 3.16Å; L116-H128 HydrophobicContact CD1-CB 4.28Å; F121-H128 HydrophobicContact CD2-CB 3.83Å; F121-H128 HydrophobicContact CE2-CB 4.39Å; F121-H128 HydrophobicContact CG-CB 4.49Å |
| 129 | L | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 146.9 | -175 | -59 | 178.9 | 0 | 0 | 0 | 110.4 | D110 L111 F121 V122 N124 R127 C133 H134 E137 | D110-L129 HydrophobicContact CB-CD2 3.8Å; L111-L129 HydrophobicContact CB-CD2 4.34Å; L111-L129 HydrophobicContact CD1-CD1 4.36Å; L111-L129 HydrophobicContact CD1-CD2 3.91Å; L111-L129 HydrophobicContact CG-CD2 3.76Å; F121-L129 WeakPolarHBondContact CA-O 3.29Å; V122-L129 PolarHBondContact N-O 3.02Å; V122-L129 PolarHBondContact O-N 3.2Å; N124-L129 HydrophobicContact CB-CD1 3.79Å; N124-L129 HydrophobicContact CB-CG 4.47Å; R127-L129 HydrophobicContact CB-CD2 4.41Å; R127-L129 HydrophobicContact CB-CG 4.42Å; L129-C133 HydrophobicContact CB-CB 4.48Å; L129-H134 HydrophobicContact CB-CB 4.12Å; L129-H134 HydrophobicContact CD1-CB 4.33Å; L129-E137 WeakPolarHBondContact CD1-OE2 3.38Å |
| 130 | C | 91.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | trans | -66.2 | 154.6 | 163.8 | 71.3 | 0 | 0 | 0 | 0 | 109.4 | C109 C112 L116 P132 C133 H134 | C109-C130 HydrophobicContact CB-CB 4.23Å; C109-C130 PolarHBondContact SG-N 3.46Å; C112-C130 VanDerWaalsContact SG-SG 3.7Å; L116-C130 HydrophobicContact CD2-CB 3.62Å; C130-P132 VanDerWaalsContact C-N 3.34Å; C130-C133 PolarHBondContact O-N 2.95Å; C130-C133 VanDerWaalsContact O-N 3.16Å; C130-C133 WeakPolarHBondContact SG-CB 3.43Å; C130-C133 PolarHBondContact SG-N 3.21Å; C130-C133 VanDerWaalsContact SG-N 3.4Å; C130-C133 PolarHBondContact SG-SG 3.09Å; C130-H134 PolarHBondContact O-N 3Å | ||
| 131 | R | 87.8 | Confident | 87 | Confident | 170 Ų | 170 | 67.1 Ų | 67.1 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -53.4 | -44.4 | 178.9 | -64.5 | 178.1 | 179.4 | -173.1 | -0 | 112.6 | V122 C133 H134 N135 | V122-R131 HydrophobicContact CG2-CG 4Å; R131-C133 PolarHBondContact O-N 3.48Å; R131-H134 PolarHBondContact O-N 2.77Å; R131-N135 WeakPolarHBondContact O-CB 3.29Å; R131-N135 PolarHBondContact O-N 2.81Å; R131-N135 PolarHBondContact O-ND2 3.11Å |
| 132 | P | 87.5 | Confident | 86.5 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 175.5 | -26.5 | 35.1 | 0 | 0 | 0 | 114.2 | C130 N135 R136 H151 | C130-P132 VanDerWaalsContact C-N 3.34Å; P132-N135 PolarHBondContact O-N 2.95Å; P132-R136 WeakPolarHBondContact O-CB 3.41Å; P132-R136 PolarHBondContact O-N 3.36Å; P132-H151 HydrophobicContact CB-CB 4.07Å; P132-H151 HydrophobicContact CG-CB 4.1Å |
| 133 | C | 88.1 | Confident | 86 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68 | -40.4 | 179.6 | -80 | 0 | 0 | 0 | 0 | 112.3 | L111 L129 C130 R131 R136 E137 | L111-C133 HydrophobicContact CB-CB 4.13Å; L111-C133 HydrophobicContact CD1-CB 3.95Å; L129-C133 HydrophobicContact CB-CB 4.48Å; C130-C133 PolarHBondContact O-N 2.95Å; C130-C133 VanDerWaalsContact O-N 3.16Å; C130-C133 WeakPolarHBondContact SG-CB 3.43Å; C130-C133 PolarHBondContact SG-N 3.21Å; C130-C133 VanDerWaalsContact SG-N 3.4Å; C130-C133 PolarHBondContact SG-SG 3.09Å; R131-C133 PolarHBondContact O-N 3.48Å; C133-R136 PolarHBondContact O-N 3.32Å; C133-E137 PolarHBondContact O-N 3.11Å; C133-E137 VanDerWaalsContact O-N 3.08Å |
| 134 | H | 89.4 | Confident | 85.9 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 17% | 0.167 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 174.4 | -179.8 | 59.7 | 0 | 0 | 0 | 111.7 | V122 L129 C130 R131 R136 E137 K138 | V122-H134 HydrophobicContact CB-CB 4.3Å; L129-H134 HydrophobicContact CB-CB 4.12Å; L129-H134 HydrophobicContact CD1-CB 4.33Å; C130-H134 PolarHBondContact O-N 3Å; R131-H134 PolarHBondContact O-N 2.77Å; H134-R136 PolarHBondContact O-N 3.31Å; H134-E137 PolarHBondContact O-N 3.03Å; H134-K138 PolarHBondContact O-N 3.42Å |
| 135 | N | 86.9 | Confident | 85.9 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -35.5 | 176.3 | -71.7 | -11.1 | 0 | 0 | 0 | 111.5 | R131 P132 K138 A139 H151 I153 | R131-N135 WeakPolarHBondContact O-CB 3.29Å; R131-N135 PolarHBondContact O-N 2.81Å; R131-N135 PolarHBondContact O-ND2 3.11Å; P132-N135 PolarHBondContact O-N 2.95Å; N135-K138 PolarHBondContact O-N 3.48Å; N135-A139 WeakPolarHBondContact O-CB 3.42Å; N135-A139 PolarHBondContact O-N 2.96Å; N135-H151 PolarHBondContact ND2-O 3.32Å; N135-I153 HydrophobicContact CB-CD1 4.44Å; N135-I153 HydrophobicContact CB-CG1 4Å |
| 136 | R | 84.7 | Confident | 86.2 | Confident | 122 Ų | 122 | 68 Ų | 68 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 177.7 | -171.8 | 179.8 | -63.2 | 163.5 | 1.5 | 113.9 | P132 C133 H134 R140 I146 | P132-R136 WeakPolarHBondContact O-CB 3.41Å; P132-R136 PolarHBondContact O-N 3.36Å; C133-R136 PolarHBondContact O-N 3.32Å; H134-R136 PolarHBondContact O-N 3.31Å; R136-R140 WeakPolarHBondContact O-CG 3.45Å; R136-R140 PolarHBondContact O-N 3.46Å; R136-R140 VanDerWaalsContact O-N 3.1Å; R136-I146 HydrophobicContact CB-CD1 3.49Å; R136-I146 VanDerWaalsContact CB-CD1 3.49Å; R136-I146 HydrophobicContact CG-CD1 3.6Å |
| 137 | E | 85.5 | Confident | 86.5 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 173.3 | -74.9 | -167.8 | 134.9 | 0 | 0 | 111.4 | L111 N124 R127 L129 C133 H134 R140 G141 | L111-E137 HydrophobicContact CD1-CG 3.85Å; N124-E137 PolarHBondContact ND2-OE2 3.01Å; R127-E137 IonicContact CZ-OE1 2.78Å; R127-E137 VanDerWaalsContact CZ-OE1 3.28Å; R127-E137 IonicContact CZ-OE2 3.28Å; R127-E137 IonicContact NH1-OE1 3.78Å; R127-E137 PolarHBondContact NH1-OE1 2.89Å; R127-E137 IonicContact NH1-OE2 2.86Å; R127-E137 IonicContact NH2-OE1 2.76Å; R127-E137 PolarHBondContact NH2-OE1 3.16Å; R127-E137 IonicContact NH2-OE2 2.81Å; R127-E137 PolarHBondContact NH2-OE2 2.99Å; L129-E137 WeakPolarHBondContact CD1-OE2 3.38Å; C133-E137 PolarHBondContact O-N 3.11Å; C133-E137 VanDerWaalsContact O-N 3.08Å; H134-E137 PolarHBondContact O-N 3.03Å; E137-R140 PolarHBondContact O-N 3.16Å; E137-G141 PolarHBondContact O-N 3.26Å; E137-G141 VanDerWaalsContact O-N 3.12Å |
| 138 | K | 84.4 | Confident | 86.5 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 179.8 | -171.9 | 176.2 | 179.5 | -175.4 | 0 | 112.4 | H134 N135 G141 L142 I153 | H134-K138 PolarHBondContact O-N 3.42Å; N135-K138 PolarHBondContact O-N 3.48Å; K138-G141 PolarHBondContact O-N 2.96Å; K138-L142 HydrophobicContact CG-CD1 4.15Å; K138-L142 WeakPolarHBondContact O-CG 3.24Å; K138-L142 PolarHBondContact O-N 2.92Å; K138-I153 HydrophobicContact CB-CD1 3.95Å; K138-I153 HydrophobicContact CD-CD1 3.81Å; K138-I153 HydrophobicContact CG-CD1 3.88Å |
| 139 | A | 82.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N135 G141 L142 G143 K144 I146 I153 | N135-A139 WeakPolarHBondContact O-CB 3.42Å; N135-A139 PolarHBondContact O-N 2.96Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 2.88Å; A139-L142 CarbonylContact O-C 3.5Å; A139-L142 PolarHBondContact O-N 3.48Å; A139-L142 VanDerWaalsContact O-N 3.16Å; A139-G143 PolarHBondContact O-N 3.33Å; A139-K144 WeakPolarHBondContact CB-O 3.32Å; A139-K144 PolarHBondContact O-N 3.42Å; A139-I146 HydrophobicContact CB-CD1 4.25Å; A139-I146 HydrophobicContact CB-CG1 3.72Å; A139-I153 HydrophobicContact CB-CG1 4.35Å |
| 140 | R | 80.6 | Confident | 86.1 | Confident | 204 Ų | 204 | 74.1 Ų | 74.1 | 77% | 0.77 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.9 | -41.3 | 174.4 | -78 | -179.9 | 176.3 | -174.2 | -1.3 | 112.5 | R136 E137 L142 G143 | R136-R140 WeakPolarHBondContact O-CG 3.45Å; R136-R140 PolarHBondContact O-N 3.46Å; R136-R140 VanDerWaalsContact O-N 3.1Å; E137-R140 PolarHBondContact O-N 3.16Å; R140-L142 VanDerWaalsContact C-N 3.29Å; R140-L142 PolarHBondContact O-N 3.06Å; R140-G143 PolarHBondContact O-N 3.33Å |
| 141 | G | 80.4 | Confident | 85.8 | Confident | 70 Ų | 70 | 77.8 Ų | 77.8 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67 | -27.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E137 K138 A139 | E137-G141 PolarHBondContact O-N 3.26Å; E137-G141 VanDerWaalsContact O-N 3.12Å; K138-G141 PolarHBondContact O-N 2.96Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 2.88Å |
| 142 | L | 81.2 | Confident | 85.8 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -100.5 | -3.3 | -178.9 | -64.6 | 171.2 | 0 | 0 | 0 | 113.6 | K138 A139 R140 K144 | K138-L142 HydrophobicContact CG-CD1 4.15Å; K138-L142 WeakPolarHBondContact O-CG 3.24Å; K138-L142 PolarHBondContact O-N 2.92Å; A139-L142 CarbonylContact O-C 3.5Å; A139-L142 PolarHBondContact O-N 3.48Å; A139-L142 VanDerWaalsContact O-N 3.16Å; R140-L142 VanDerWaalsContact C-N 3.29Å; R140-L142 PolarHBondContact O-N 3.06Å; L142-K144 HydrophobicContact CB-CG 3.97Å; L142-K144 PolarHBondContact O-N 2.81Å |
| 143 | G | 81.2 | Confident | 85.7 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 68% | 0.68 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 24.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A139 R140 | A139-G143 PolarHBondContact O-N 3.33Å; R140-G143 PolarHBondContact O-N 3.33Å |
| 144 | K | 87.4 | Confident | 85.8 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | trans | -94.7 | 163.1 | -179.5 | -66.5 | -162.2 | 178.6 | -155.5 | 0 | 112 | A139 L142 I153 D155 | A139-K144 WeakPolarHBondContact CB-O 3.32Å; A139-K144 PolarHBondContact O-N 3.42Å; L142-K144 HydrophobicContact CB-CG 3.97Å; L142-K144 PolarHBondContact O-N 2.81Å; K144-I153 HydrophobicContact CB-CG2 3.87Å; K144-I153 HydrophobicContact CD-CG2 3.87Å; K144-D155 PolarHBondContact NZ-O 3.22Å; K144-D155 IonicContact NZ-OD1 2.89Å; K144-D155 PolarHBondContact NZ-OD1 3.07Å | ||
| 145 | Y | 86.9 | Confident | 85.5 | Confident | 130 Ų | 130 | 74 Ų | 74 | 51% | 0.51 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 159.2 | 177.3 | -65.1 | -90.8 | 0 | 0 | 0 | 111.8 | I154 P158 P165 | Y145-I154 PolarHBondContact O-N 3.21Å; Y145-P158 HydrophobicContact CD2-CB 4.41Å; Y145-P158 HydrophobicContact CD2-CG 3.65Å; Y145-P158 HydrophobicContact CE2-CG 3.96Å; Y145-P158 HydrophobicContact CG-CB 4.34Å; Y145-P158 HydrophobicContact CG-CG 3.95Å; Y145-P165 HydrophobicContact CD1-CB 4.04Å; Y145-P165 HydrophobicContact CD1-CG 4.19Å; Y145-P165 HydrophobicContact CG-CB 4.35Å |
| 146 | I | 88.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 79.8 Ų | 79.8 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.6 | 174.4 | -54.7 | 165.3 | 0 | 0 | 0 | 107.3 | R136 A139 Q148 P165 | R136-I146 HydrophobicContact CB-CD1 3.49Å; R136-I146 VanDerWaalsContact CB-CD1 3.49Å; R136-I146 HydrophobicContact CG-CD1 3.6Å; A139-I146 HydrophobicContact CB-CD1 4.25Å; A139-I146 HydrophobicContact CB-CG1 3.72Å; I146-Q148 PolarHBondContact O-N 2.81Å; I146-P165 WeakPolarHBondContact O-CG 3.44Å |
| 147 | C | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.414 | C | S | . | . | trans | -70.6 | 129.1 | 176.5 | 174 | 0 | 0 | 0 | 0 | 111.2 | K149 C150 H151 A152 I154 P165 H167 H170 | C147-K149 VanDerWaalsContact C-N 3.26Å; C147-K149 PolarHBondContact O-N 3.39Å; C147-K149 PolarHBondContact SG-N 3.3Å; C147-K149 VanDerWaalsContact SG-N 3.44Å; C147-C150 VanDerWaalsContact CB-SG 3.56Å; C147-H151 WeakPolarHBondContact O-CA 3.3Å; C147-H151 PolarHBondContact O-N 3.42Å; C147-A152 PolarHBondContact N-O 3.4Å; C147-I154 HydrophobicContact CB-CD1 4.02Å; C147-I154 HydrophobicContact CB-CG1 3.89Å; C147-P165 WeakPolarHBondContact CA-O 3.49Å; C147-H167 WeakPolarHBondContact CB-CE1 3.11Å; C147-H167 WeakPolarHBondContact CB-ND1 3.39Å; C147-H167 PolarHBondContact SG-N 3.12Å; C147-H167 VanDerWaalsContact SG-N 3.41Å; C147-H167 PolarHBondContact SG-ND1 2.9Å; C147-H170 PolarHBondContact SG-CD2 2.92Å | ||
| 148 | Q | 88.6 | Confident | 85.9 | Confident | 97 Ų | 97 | 78.9 Ų | 78.9 | 45% | 0.453 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -18.7 | -178.6 | -170.9 | 63.7 | 6.5 | 0 | 0 | 113.4 | I146 D164 P165 Y166 | I146-Q148 PolarHBondContact O-N 2.81Å; Q148-D164 HydrophobicContact CB-CB 4.35Å; Q148-D164 HydrophobicContact CG-CB 4.47Å; Q148-P165 PolarHBondContact N-O 2.8Å; Q148-Y166 HydrophobicContact CB-CD1 4.16Å; Q148-Y166 HydrophobicContact CB-CE1 3.62Å; Q148-Y166 HydrophobicContact CG-CE1 4.31Å |
| 149 | K | 87.7 | Confident | 86.3 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -43.5 | 178.8 | -168.9 | -177.8 | -173.7 | -176 | 0 | 113 | C147 Y166 H170 | C147-K149 VanDerWaalsContact C-N 3.26Å; C147-K149 PolarHBondContact O-N 3.39Å; C147-K149 PolarHBondContact SG-N 3.3Å; C147-K149 VanDerWaalsContact SG-N 3.44Å; K149-Y166 HydrophobicContact CB-CD1 3.86Å; K149-Y166 HydrophobicContact CB-CE1 4.07Å; K149-H170 HydrophobicContact CD-CB 3.79Å; K149-H170 PolarHBondContact NZ-O 3.4Å |
| 150 | C | 87.9 | Confident | 86.7 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -7.4 | -174.2 | 71 | 0 | 0 | 0 | 0 | 114.4 | C147 A152 H167 H170 | C147-C150 VanDerWaalsContact CB-SG 3.56Å; C150-A152 PolarHBondContact O-N 3.33Å; C150-A152 VanDerWaalsContact O-N 3.09Å; C150-H167 PolarHBondContact SG-CE1 2.9Å; C150-H167 PolarHBondContact SG-ND1 3.32Å; C150-H170 WeakPolarHBondContact CB-NE2 3.47Å; C150-H170 PolarHBondContact SG-NE2 2.89Å; C150-H170 VanDerWaalsContact SG-NE2 3.35Å |
| 151 | H | 84.8 | Confident | 87.2 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 37% | 0.366 | 38% | 0.375 | S | S | . | . | trans | 58.4 | 16.7 | -177.2 | -48.9 | 109.1 | 0 | 0 | 0 | 114.9 | P132 N135 C147 | P132-H151 HydrophobicContact CB-CB 4.07Å; P132-H151 HydrophobicContact CG-CB 4.1Å; N135-H151 PolarHBondContact ND2-O 3.32Å; C147-H151 WeakPolarHBondContact O-CA 3.3Å; C147-H151 PolarHBondContact O-N 3.42Å | ||
| 152 | A | 86.6 | Confident | 87.6 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | trans | -90 | 159.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | C147 C150 | C147-A152 PolarHBondContact N-O 3.4Å; C150-A152 PolarHBondContact O-N 3.33Å; C150-A152 VanDerWaalsContact O-N 3.09Å | ||
| 153 | I | 86.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.3 | 177.1 | -56.8 | 178.6 | 0 | 0 | 0 | 108.6 | N135 K138 A139 K144 H167 | N135-I153 HydrophobicContact CB-CD1 4.44Å; N135-I153 HydrophobicContact CB-CG1 4Å; K138-I153 HydrophobicContact CB-CD1 3.95Å; K138-I153 HydrophobicContact CD-CD1 3.81Å; K138-I153 HydrophobicContact CG-CD1 3.88Å; A139-I153 HydrophobicContact CB-CG1 4.35Å; K144-I153 HydrophobicContact CB-CG2 3.87Å; K144-I153 HydrophobicContact CD-CG2 3.87Å; I153-H167 PolarHBondContact O-NE2 2.94Å |
| 154 | I | 88.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.5 | 173 | -52.3 | 174.2 | 0 | 0 | 0 | 106.9 | Y145 C147 E156 P158 P165 | Y145-I154 PolarHBondContact O-N 3.21Å; C147-I154 HydrophobicContact CB-CD1 4.02Å; C147-I154 HydrophobicContact CB-CG1 3.89Å; I154-E156 VanDerWaalsContact CG2-O 3.28Å; I154-E156 WeakPolarHBondContact CG2-O 3.48Å; I154-P158 HydrophobicContact CD1-CB 3.76Å; I154-P158 HydrophobicContact CG2-CB 4.33Å; I154-P165 HydrophobicContact CD1-CB 4.13Å |
| 155 | D | 84.7 | Confident | 88.5 | Confident | 112 Ų | 112 | 72.1 Ų | 72.1 | 60% | 0.599 | 36% | 0.357 | S | S | * | . | trans | -78 | -34.3 | -177.8 | -78.1 | -49.1 | 0 | 0 | 0 | 113.3 | K144 | K144-D155 PolarHBondContact NZ-O 3.22Å; K144-D155 IonicContact NZ-OD1 2.89Å; K144-D155 PolarHBondContact NZ-OD1 3.07Å | ||
| 156 | E | 85.6 | Confident | 88.8 | Confident | 160 Ų | 160 | 67.6 Ų | 67.6 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -97.5 | -171.6 | 179.2 | -63.6 | -59.8 | 144.8 | 0 | 0 | 111.7 | I154 | I154-E156 VanDerWaalsContact CG2-O 3.28Å; I154-E156 WeakPolarHBondContact CG2-O 3.48Å |
| 157 | Q | 88.4 | Confident | 89 | Confident | 138 Ų | 138 | 67.3 Ų | 67.3 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 128.3 | 175.9 | -160.7 | 167.3 | 20.8 | 0 | 0 | 111 | A182 | Q157-A182 HydrophobicContact CB-CB 3.77Å; Q157-A182 HydrophobicContact CG-CB 4.01Å; Q157-A182 WeakPolarHBondContact O-CB 3.32Å |
| 158 | P | 91.4 | Very high | 89.1 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 145.5 | -178.7 | 31.7 | -37.1 | 0 | 0 | 0 | 111 | Y145 I154 I160 P165 | Y145-P158 HydrophobicContact CD2-CB 4.41Å; Y145-P158 HydrophobicContact CD2-CG 3.65Å; Y145-P158 HydrophobicContact CE2-CG 3.96Å; Y145-P158 HydrophobicContact CG-CB 4.34Å; Y145-P158 HydrophobicContact CG-CG 3.95Å; I154-P158 HydrophobicContact CD1-CB 3.76Å; I154-P158 HydrophobicContact CG2-CB 4.33Å; P158-I160 HydrophobicContact CB-CD1 4.26Å; P158-I160 HydrophobicContact CG-CD1 4.13Å; P158-P165 HydrophobicContact CB-CB 4.03Å |
| 159 | L | 92.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.5 | 162.4 | 178.1 | 63.9 | 0 | 0 | 0 | 108.3 | Y166 P168 F171 L180 A184 L191 | L159-Y166 PolarHBondContact N-O 3.38Å; L159-Y166 PolarHBondContact O-N 2.89Å; L159-P168 HydrophobicContact CB-CB 4.36Å; L159-P168 HydrophobicContact CB-CG 4.1Å; L159-F171 HydrophobicContact CD2-CB 4.36Å; L159-F171 HydrophobicContact CD2-CD2 3.77Å; L159-F171 HydrophobicContact CD2-CE2 4.39Å; L159-F171 HydrophobicContact CD2-CG 4.27Å; L159-L180 HydrophobicContact CD2-CB 4.45Å; L159-L180 HydrophobicContact CD2-CD1 4.42Å; L159-A184 HydrophobicContact CD1-CB 3.77Å; L159-L191 HydrophobicContact CD2-CD1 4.08Å |
| 160 | I | 90.6 | Very high | 89.4 | Confident | 88 Ų | 88 | 64 Ų | 64 | 45% | 0.451 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.5 | 175 | -53 | -56 | 0 | 0 | 0 | 108.9 | P158 D164 P165 | P158-I160 HydrophobicContact CB-CD1 4.26Å; P158-I160 HydrophobicContact CG-CD1 4.13Å; I160-D164 WeakPolarHBondContact CA-O 3.32Å; I160-P165 HydrophobicContact CD1-CB 3.99Å |
| 161 | F | 91.1 | Very high | 89.6 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.2 | 175 | 179.9 | -125.7 | 0 | 0 | 0 | 109.2 | N163 D164 Y166 F171 E186 L191 | F161-N163 PolarHBondContact O-N 3.32Å; F161-D164 PolarHBondContact N-O 3.29Å; F161-D164 PolarHBondContact O-N 3.31Å; F161-Y166 HydrophobicContact CB-CD2 4Å; F161-Y166 HydrophobicContact CB-CE2 4.03Å; F161-Y166 HydrophobicContact CD1-CE2 4.48Å; F161-F171 HydrophobicContact CD1-CE1 4.01Å; F161-F171 HydrophobicContact CD1-CZ 4.1Å; F161-F171 HydrophobicContact CE1-CE1 4.32Å; F161-E186 HydrophobicContact CD2-CG 4.36Å; F161-E186 HydrophobicContact CE2-CG 4.11Å; F161-L191 HydrophobicContact CB-CD1 4.23Å; F161-L191 HydrophobicContact CD1-CD1 4.29Å; F161-L191 HydrophobicContact CD2-CD1 3.81Å; F161-L191 HydrophobicContact CD2-CD2 3.66Å; F161-L191 HydrophobicContact CD2-CG 3.67Å; F161-L191 HydrophobicContact CE2-CD1 4.18Å; F161-L191 HydrophobicContact CE2-CD2 4.18Å; F161-L191 HydrophobicContact CE2-CG 3.82Å; F161-L191 HydrophobicContact CG-CD1 3.86Å; F161-L191 HydrophobicContact CG-CD2 4.34Å; F161-L191 HydrophobicContact CG-CG 4.25Å |
| 162 | K | 87.9 | Confident | 90.1 | Very high | 137 Ų | 137 | 63.7 Ų | 63.7 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37 | -175 | -58.1 | -178.1 | 176 | 179.6 | 0 | 114 | D164 | K162-D164 PolarHBondContact O-N 3.11Š|
| 163 | N | 86.3 | Confident | 90.4 | Very high | 151 Ų | 151 | 62.1 Ų | 62.1 | 81% | 0.807 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 2.5 | -175.7 | -55.2 | -44.5 | 0 | 0 | 0 | 116.7 | F161 | F161-N163 PolarHBondContact O-N 3.32Š|
| 164 | D | 91.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 63.7 Ų | 63.7 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143.2 | 176.3 | -70.7 | -42.8 | 0 | 0 | 0 | 111.3 | Q148 I160 F161 K162 Y166 | Q148-D164 HydrophobicContact CB-CB 4.35Å; Q148-D164 HydrophobicContact CG-CB 4.47Å; I160-D164 WeakPolarHBondContact CA-O 3.32Å; F161-D164 PolarHBondContact N-O 3.29Å; F161-D164 PolarHBondContact O-N 3.31Å; K162-D164 PolarHBondContact O-N 3.11Å; D164-Y166 HydrophobicContact CB-CD2 4.38Å; D164-Y166 HydrophobicContact CB-CE2 3.51Å; D164-Y166 WeakPolarHBondContact O-CD2 3.49Å; D164-Y166 VanDerWaalsContact O-CE2 3.32Å; D164-Y166 WeakPolarHBondContact O-CE2 3.44Å |
| 165 | P | 91.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 68.6 Ų | 68.6 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 136.1 | 176.7 | 31.4 | -33 | 0 | 0 | 0 | 111.9 | Y145 I146 C147 Q148 I154 P158 I160 | Y145-P165 HydrophobicContact CD1-CB 4.04Å; Y145-P165 HydrophobicContact CD1-CG 4.19Å; Y145-P165 HydrophobicContact CG-CB 4.35Å; I146-P165 WeakPolarHBondContact O-CG 3.44Å; C147-P165 WeakPolarHBondContact CA-O 3.49Å; Q148-P165 PolarHBondContact N-O 2.8Å; I154-P165 HydrophobicContact CD1-CB 4.13Å; P158-P165 HydrophobicContact CB-CB 4.03Å; I160-P165 HydrophobicContact CD1-CB 3.99Å |
| 166 | Y | 93.2 | Very high | 90.9 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 14% | 0.137 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 160.7 | 176.1 | -60.6 | -93.9 | 0 | 0 | 0 | 112 | Q148 K149 L159 F161 D164 F171 | Q148-Y166 HydrophobicContact CB-CD1 4.16Å; Q148-Y166 HydrophobicContact CB-CE1 3.62Å; Q148-Y166 HydrophobicContact CG-CE1 4.31Å; K149-Y166 HydrophobicContact CB-CD1 3.86Å; K149-Y166 HydrophobicContact CB-CE1 4.07Å; L159-Y166 PolarHBondContact N-O 3.38Å; L159-Y166 PolarHBondContact O-N 2.89Å; F161-Y166 HydrophobicContact CB-CD2 4Å; F161-Y166 HydrophobicContact CB-CE2 4.03Å; F161-Y166 HydrophobicContact CD1-CE2 4.48Å; D164-Y166 HydrophobicContact CB-CD2 4.38Å; D164-Y166 HydrophobicContact CB-CE2 3.51Å; D164-Y166 WeakPolarHBondContact O-CD2 3.49Å; D164-Y166 VanDerWaalsContact O-CE2 3.32Å; D164-Y166 WeakPolarHBondContact O-CE2 3.44Å; Y166-F171 VanDerWaalsContact CB-CE2 3.5Å; Y166-F171 AromaticContact CD1-CE2 3.94Å; Y166-F171 HydrophobicContact CD1-CE2 3.94Å; Y166-F171 AromaticContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD2-CE2 4.15Å; Y166-F171 HydrophobicContact CD2-CZ 4.16Å; Y166-F171 HydrophobicContact CE1-CZ 4.3Å; Y166-F171 AromaticContact CG-CE2 3.62Å; Y166-F171 HydrophobicContact CG-CE2 3.62Å; Y166-F171 AromaticContact CG-CZ 3.87Å; Y166-F171 HydrophobicContact CG-CZ 3.87Å |
| 167 | H | 92.4 | Very high | 91 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | trans | -66.9 | 134.7 | 163.4 | -66.8 | 101.1 | 0 | 0 | 0 | 110.6 | C147 C150 I153 D169 H170 | C147-H167 WeakPolarHBondContact CB-CE1 3.11Å; C147-H167 WeakPolarHBondContact CB-ND1 3.39Å; C147-H167 PolarHBondContact SG-N 3.12Å; C147-H167 VanDerWaalsContact SG-N 3.41Å; C147-H167 PolarHBondContact SG-ND1 2.9Å; C150-H167 PolarHBondContact SG-CE1 2.9Å; C150-H167 PolarHBondContact SG-ND1 3.32Å; I153-H167 PolarHBondContact O-NE2 2.94Å; H167-D169 VanDerWaalsContact C-N 3.31Å; H167-D169 VanDerWaalsContact CB-OD1 3.23Å; H167-D169 WeakPolarHBondContact CB-OD1 3.35Å; H167-D169 IonicContact CG-OD1 3.88Å; H167-D169 PolarHBondContact O-N 2.67Å; H167-H170 AromaticContact ND1-NE2 3.68Å; H167-H170 WeakPolarHBondContact O-CB 3.46Å; H167-H170 PolarHBondContact O-N 2.97Å | ||
| 168 | P | 91.8 | Very high | 91.2 | Very high | 21 Ų | 21 | 61 Ų | 61 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -60.2 | -35.1 | 177.3 | -24.2 | 33.4 | 0 | 0 | 0 | 114.4 | L159 H170 F171 L180 A182 | L159-P168 HydrophobicContact CB-CB 4.36Å; L159-P168 HydrophobicContact CB-CG 4.1Å; P168-H170 PolarHBondContact O-N 3.29Å; P168-H170 VanDerWaalsContact O-N 3.13Å; P168-F171 PolarHBondContact O-N 2.88Å; P168-L180 CarbonylContact C-O 3.6Å; P168-L180 WeakPolarHBondContact CB-O 3.45Å; P168-A182 HydrophobicContact CG-CB 4.4Å |
| 169 | D | 90 | Very high | 91.2 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -64.4 | -16.9 | -178.9 | 60.2 | -91 | 0 | 0 | 0 | 114 | H167 F171 | H167-D169 VanDerWaalsContact C-N 3.31Å; H167-D169 VanDerWaalsContact CB-OD1 3.23Å; H167-D169 WeakPolarHBondContact CB-OD1 3.35Å; H167-D169 IonicContact CG-OD1 3.88Å; H167-D169 PolarHBondContact O-N 2.67Å; D169-F171 PolarHBondContact O-N 3.05Å |
| 170 | H | 92.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 67 Ų | 67 | 21% | 0.213 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -74.7 | -8.5 | 178 | -72.1 | -9.8 | 0 | 0 | 0 | 114.2 | C147 K149 C150 H167 P168 | C147-H170 PolarHBondContact SG-CD2 2.92Å; K149-H170 HydrophobicContact CD-CB 3.79Å; K149-H170 PolarHBondContact NZ-O 3.4Å; C150-H170 WeakPolarHBondContact CB-NE2 3.47Å; C150-H170 PolarHBondContact SG-NE2 2.89Å; C150-H170 VanDerWaalsContact SG-NE2 3.35Å; H167-H170 AromaticContact ND1-NE2 3.68Å; H167-H170 WeakPolarHBondContact O-CB 3.46Å; H167-H170 PolarHBondContact O-N 2.97Å; P168-H170 PolarHBondContact O-N 3.29Å; P168-H170 VanDerWaalsContact O-N 3.13Å |
| 171 | F | 93.3 | Very high | 91.3 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | trans | -128.4 | 147.2 | -175.9 | -61 | -86.8 | 0 | 0 | 0 | 111.3 | L159 F161 Y166 P168 D169 L180 L191 | L159-F171 HydrophobicContact CD2-CB 4.36Å; L159-F171 HydrophobicContact CD2-CD2 3.77Å; L159-F171 HydrophobicContact CD2-CE2 4.39Å; L159-F171 HydrophobicContact CD2-CG 4.27Å; F161-F171 HydrophobicContact CD1-CE1 4.01Å; F161-F171 HydrophobicContact CD1-CZ 4.1Å; F161-F171 HydrophobicContact CE1-CE1 4.32Å; Y166-F171 VanDerWaalsContact CB-CE2 3.5Å; Y166-F171 AromaticContact CD1-CE2 3.94Å; Y166-F171 HydrophobicContact CD1-CE2 3.94Å; Y166-F171 AromaticContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD2-CE2 4.15Å; Y166-F171 HydrophobicContact CD2-CZ 4.16Å; Y166-F171 HydrophobicContact CE1-CZ 4.3Å; Y166-F171 AromaticContact CG-CE2 3.62Å; Y166-F171 HydrophobicContact CG-CE2 3.62Å; Y166-F171 AromaticContact CG-CZ 3.87Å; Y166-F171 HydrophobicContact CG-CZ 3.87Å; P168-F171 PolarHBondContact O-N 2.88Å; D169-F171 PolarHBondContact O-N 3.05Å; F171-L180 HydrophobicContact CB-CB 4.39Å; F171-L180 HydrophobicContact CB-CD1 3.65Å; F171-L180 HydrophobicContact CB-CG 4.23Å; F171-L180 PolarHBondContact O-N 2.87Å; F171-L191 HydrophobicContact CB-CD1 4.01Å; F171-L191 HydrophobicContact CD1-CD1 3.48Å; F171-L191 VanDerWaalsContact CD1-CD1 3.48Å; F171-L191 HydrophobicContact CD2-CD1 4.29Å; F171-L191 HydrophobicContact CE1-CD1 3.94Å; F171-L191 HydrophobicContact CG-CD1 3.67Å | ||
| 172 | N | 94.3 | Very high | 91.3 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -120.4 | 145.1 | 177.1 | -63.9 | 43.7 | 0 | 0 | 0 | 108 | A174 G177 K178 | N172-A174 PolarHBondContact O-N 3.18Å; N172-G177 WeakPolarHBondContact CB-O 3.42Å; N172-G177 PolarHBondContact ND2-O 3.14Å; N172-K178 CarbonylContact C-O 3.51Å; N172-K178 VanDerWaalsContact CA-O 3.3Å; N172-K178 WeakPolarHBondContact CA-O 3.44Å |
| 173 | C | 93.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | trans | -59.2 | 125.7 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | N175 C176 G177 K178 L180 C193 | C173-N175 PolarHBondContact O-N 3.13Å; C173-N175 VanDerWaalsContact O-N 3.12Å; C173-C176 VanDerWaalsContact CB-SG 3.52Å; C173-C176 PolarHBondContact O-N 3.2Å; C173-G177 VanDerWaalsContact O-CA 3.32Å; C173-G177 WeakPolarHBondContact O-CA 3.23Å; C173-G177 PolarHBondContact O-N 3.06Å; C173-K178 PolarHBondContact N-O 3.06Å; C173-L180 HydrophobicContact CB-CD2 3.67Å; C173-C193 HydrophobicContact CB-CB 4.13Å; C173-C193 PolarHBondContact SG-N 3.29Å; C173-C193 VanDerWaalsContact SG-SG 3.63Å | ||
| 174 | A | 91.4 | Very high | 91.6 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N172 E190 L191 Y192 | N172-A174 PolarHBondContact O-N 3.18Å; A174-E190 HydrophobicContact CB-CB 4.23Å; A174-L191 PolarHBondContact N-O 3.33Å; A174-Y192 HydrophobicContact CB-CD1 4.28Å; A174-Y192 HydrophobicContact CB-CE1 3.82Å |
| 175 | N | 88.6 | Confident | 91.5 | Very high | 107 Ų | 107 | 59 Ų | 59 | 57% | 0.572 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -40.3 | -179.1 | -175.7 | 62 | 0 | 0 | 0 | 114.4 | C173 Y192 C196 | C173-N175 PolarHBondContact O-N 3.13Å; C173-N175 VanDerWaalsContact O-N 3.12Å; N175-Y192 HydrophobicContact CB-CD1 3.88Å; N175-Y192 HydrophobicContact CB-CE1 3.96Å; N175-C196 HydrophobicContact CB-CB 4.03Å; N175-C196 PolarHBondContact ND2-SG 3.38Å |
| 176 | C | 90.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -3.2 | -171.5 | 72.2 | 0 | 0 | 0 | 0 | 115 | C173 K178 C196 | C173-C176 VanDerWaalsContact CB-SG 3.52Å; C173-C176 PolarHBondContact O-N 3.2Å; C176-K178 PolarHBondContact O-N 3.44Å; C176-C196 VanDerWaalsContact SG-SG 3.67Å |
| 177 | G | 89.4 | Confident | 91.2 | Very high | 45 Ų | 45 | 63.3 Ų | 63.3 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | trans | 69.8 | -2.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N172 C173 | N172-G177 WeakPolarHBondContact CB-O 3.42Å; N172-G177 PolarHBondContact ND2-O 3.14Å; C173-G177 VanDerWaalsContact O-CA 3.32Å; C173-G177 WeakPolarHBondContact O-CA 3.23Å; C173-G177 PolarHBondContact O-N 3.06Å | ||
| 178 | K | 91.6 | Very high | 90.8 | Very high | 149 Ų | 149 | 71.6 Ų | 71.6 | 65% | 0.648 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 144.6 | 176.9 | -69 | -173.6 | 178.1 | -174 | 0 | 111.3 | N172 C173 C176 | N172-K178 CarbonylContact C-O 3.51Å; N172-K178 VanDerWaalsContact CA-O 3.3Å; N172-K178 WeakPolarHBondContact CA-O 3.44Å; C173-K178 PolarHBondContact N-O 3.06Å; C176-K178 PolarHBondContact O-N 3.44Å |
| 179 | E | 92 | Very high | 90.6 | Very high | 143 Ų | 143 | 72.2 Ų | 72.2 | 67% | 0.668 | 39% | 0.388 | S | S | * | . | B | Isolated β-bridge | trans | -52.8 | 137 | 170.1 | -66.2 | 174 | 178.8 | 0 | 0 | 110.4 | ||
| 180 | L | 93.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 157.5 | -178.1 | -66.7 | -176.4 | 0 | 0 | 0 | 111.3 | L159 P168 F171 C173 A184 L191 C193 | L159-L180 HydrophobicContact CD2-CB 4.45Å; L159-L180 HydrophobicContact CD2-CD1 4.42Å; P168-L180 CarbonylContact C-O 3.6Å; P168-L180 WeakPolarHBondContact CB-O 3.45Å; F171-L180 HydrophobicContact CB-CB 4.39Å; F171-L180 HydrophobicContact CB-CD1 3.65Å; F171-L180 HydrophobicContact CB-CG 4.23Å; F171-L180 PolarHBondContact O-N 2.87Å; C173-L180 HydrophobicContact CB-CD2 3.67Å; L180-A184 HydrophobicContact CB-CB 3.95Å; L180-A184 HydrophobicContact CD1-CB 3.8Å; L180-A184 HydrophobicContact CD2-CB 3.91Å; L180-A184 HydrophobicContact CG-CB 4.11Å; L180-L191 HydrophobicContact CD1-CB 3.47Å; L180-L191 VanDerWaalsContact CD1-CB 3.47Å; L180-L191 HydrophobicContact CD1-CD1 4.12Å; L180-L191 HydrophobicContact CD1-CG 4.34Å; L180-C193 HydrophobicContact CD2-CB 3.68Å |
| 181 | T | 91.2 | Very high | 90.6 | Very high | 79 Ų | 79 | 71.4 Ų | 71.4 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | trans | -110.5 | 174.3 | 169.9 | 61.2 | 0 | 0 | 0 | 0 | 109.3 | D183 A184 | T181-D183 PolarHBondContact O-N 3.32Å; T181-A184 WeakPolarHBondContact O-CB 3.16Å; T181-A184 PolarHBondContact O-N 3.35Å | ||
| 182 | A | 90.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 71 Ų | 71 | 21% | 0.207 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q157 P168 A184 | Q157-A182 HydrophobicContact CB-CB 3.77Å; Q157-A182 HydrophobicContact CG-CB 4.01Å; Q157-A182 WeakPolarHBondContact O-CB 3.32Å; P168-A182 HydrophobicContact CG-CB 4.4Å; A182-A184 VanDerWaalsContact C-N 3.29Å; A182-A184 PolarHBondContact O-N 3.42Å |
| 183 | D | 89.9 | Confident | 90.4 | Very high | 82 Ų | 82 | 67.5 Ų | 67.5 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.3 | 178.2 | -63.3 | -51.8 | 0 | 0 | 0 | 114.7 | T181 R185 | T181-D183 PolarHBondContact O-N 3.32Å; D183-R185 PolarHBondContact O-NH1 3.22Å |
| 184 | A | 91.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 70.3 Ų | 70.3 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | trans | -59.2 | 153 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L159 L180 T181 A182 Y192 | L159-A184 HydrophobicContact CD1-CB 3.77Å; L180-A184 HydrophobicContact CB-CB 3.95Å; L180-A184 HydrophobicContact CD1-CB 3.8Å; L180-A184 HydrophobicContact CD2-CB 3.91Å; L180-A184 HydrophobicContact CG-CB 4.11Å; T181-A184 WeakPolarHBondContact O-CB 3.16Å; T181-A184 PolarHBondContact O-N 3.35Å; A182-A184 VanDerWaalsContact C-N 3.29Å; A182-A184 PolarHBondContact O-N 3.42Å; A184-Y192 WeakPolarHBondContact CA-O 3.28Å; A184-Y192 WeakPolarHBondContact CB-O 3.19Å | ||
| 185 | R | 89.8 | Confident | 89.8 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 42% | 0.415 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.1 | -175.3 | -65.1 | -66.7 | 179.6 | -109.1 | 1.9 | 110 | D183 Y192 L194 H197 | D183-R185 PolarHBondContact O-NH1 3.22Å; R185-Y192 PolarHBondContact N-O 3.04Å; R185-Y192 PolarHBondContact O-N 2.97Å; R185-L194 HydrophobicContact CG-CD1 4.21Å; R185-H197 HydrophobicContact CB-CB 4.07Å; R185-H197 HydrophobicContact CG-CB 4.48Å |
| 186 | E | 90.8 | Very high | 89.7 | Confident | 91 Ų | 91 | 67 Ų | 67 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 127.1 | 173 | -173.5 | -179.7 | 159.8 | 0 | 0 | 109.5 | F161 E190 L191 | F161-E186 HydrophobicContact CD2-CG 4.36Å; F161-E186 HydrophobicContact CE2-CG 4.11Å; E186-E190 CarbonylContact C-O 3.56Å; E186-E190 WeakPolarHBondContact CA-O 3.39Å; E186-L191 HydrophobicContact CB-CD2 4.21Å |
| 187 | L | 86.7 | Confident | 89.6 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 31% | 0.314 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 119.3 | 172.5 | -172.8 | 69.5 | 0 | 0 | 0 | 108.9 | G189 E190 Y192 M200 | L187-G189 PolarHBondContact O-N 3.4Å; L187-E190 PolarHBondContact N-O 3.33Å; L187-E190 PolarHBondContact O-N 3.44Å; L187-E190 VanDerWaalsContact O-N 3.14Å; L187-Y192 HydrophobicContact CB-CD2 3.96Å; L187-Y192 HydrophobicContact CB-CE2 3.99Å; L187-M200 HydrophobicContact CD2-CE 3.53Å; L187-M200 HydrophobicContact CD2-SD 3.85Å |
| 188 | K | 85.2 | Confident | 89.3 | Confident | 204 Ų | 204 | 68.9 Ų | 68.9 | 89% | 0.887 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.3 | -179.4 | -59.5 | 177.4 | -179.8 | 177.3 | 0 | 114.1 | ||
| 189 | G | 86.4 | Confident | 88.8 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 2.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | L187 | L187-G189 PolarHBondContact O-N 3.4Š|
| 190 | E | 90.8 | Very high | 88 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 152 | 173.2 | -68.8 | -172.1 | 151.8 | 0 | 0 | 111.3 | A174 E186 L187 Y192 | A174-E190 HydrophobicContact CB-CB 4.23Å; E186-E190 CarbonylContact C-O 3.56Å; E186-E190 WeakPolarHBondContact CA-O 3.39Å; L187-E190 PolarHBondContact N-O 3.33Å; L187-E190 PolarHBondContact O-N 3.44Å; L187-E190 VanDerWaalsContact O-N 3.14Å; E190-Y192 HydrophobicContact CB-CD2 4.42Å; E190-Y192 HydrophobicContact CB-CE2 3.6Å; E190-Y192 WeakPolarHBondContact O-CD2 3.01Å; E190-Y192 PolarHBondContact OE2-OH 3.41Å |
| 191 | L | 92 | Very high | 87.1 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.5 | -179.6 | -71.2 | 167.8 | 0 | 0 | 0 | 111.5 | L159 F161 F171 A174 L180 E186 | L159-L191 HydrophobicContact CD2-CD1 4.08Å; F161-L191 HydrophobicContact CB-CD1 4.23Å; F161-L191 HydrophobicContact CD1-CD1 4.29Å; F161-L191 HydrophobicContact CD2-CD1 3.81Å; F161-L191 HydrophobicContact CD2-CD2 3.66Å; F161-L191 HydrophobicContact CD2-CG 3.67Å; F161-L191 HydrophobicContact CE2-CD1 4.18Å; F161-L191 HydrophobicContact CE2-CD2 4.18Å; F161-L191 HydrophobicContact CE2-CG 3.82Å; F161-L191 HydrophobicContact CG-CD1 3.86Å; F161-L191 HydrophobicContact CG-CD2 4.34Å; F161-L191 HydrophobicContact CG-CG 4.25Å; F171-L191 HydrophobicContact CB-CD1 4.01Å; F171-L191 HydrophobicContact CD1-CD1 3.48Å; F171-L191 VanDerWaalsContact CD1-CD1 3.48Å; F171-L191 HydrophobicContact CD2-CD1 4.29Å; F171-L191 HydrophobicContact CE1-CD1 3.94Å; F171-L191 HydrophobicContact CG-CD1 3.67Å; A174-L191 PolarHBondContact N-O 3.33Å; L180-L191 HydrophobicContact CD1-CB 3.47Å; L180-L191 VanDerWaalsContact CD1-CB 3.47Å; L180-L191 HydrophobicContact CD1-CD1 4.12Å; L180-L191 HydrophobicContact CD1-CG 4.34Å; E186-L191 HydrophobicContact CB-CD2 4.21Å |
| 192 | Y | 91 | Very high | 86.5 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.1 | 179 | -63.1 | -93.3 | 0 | 0 | 0 | 109.6 | A174 N175 A184 R185 L187 E190 M200 | A174-Y192 HydrophobicContact CB-CD1 4.28Å; A174-Y192 HydrophobicContact CB-CE1 3.82Å; N175-Y192 HydrophobicContact CB-CD1 3.88Å; N175-Y192 HydrophobicContact CB-CE1 3.96Å; A184-Y192 WeakPolarHBondContact CA-O 3.28Å; A184-Y192 WeakPolarHBondContact CB-O 3.19Å; R185-Y192 PolarHBondContact N-O 3.04Å; R185-Y192 PolarHBondContact O-N 2.97Å; L187-Y192 HydrophobicContact CB-CD2 3.96Å; L187-Y192 HydrophobicContact CB-CE2 3.99Å; E190-Y192 HydrophobicContact CB-CD2 4.42Å; E190-Y192 HydrophobicContact CB-CE2 3.6Å; E190-Y192 WeakPolarHBondContact O-CD2 3.01Å; E190-Y192 PolarHBondContact OE2-OH 3.41Å; Y192-M200 HydrophobicContact CD1-CE 3.27Å; Y192-M200 HydrophobicContact CD1-SD 4.24Å; Y192-M200 HydrophobicContact CD2-CE 3.61Å; Y192-M200 HydrophobicContact CE1-CE 3.45Å; Y192-M200 VanDerWaalsContact CE1-CE 3.45Å; Y192-M200 HydrophobicContact CE1-SD 3.88Å; Y192-M200 HydrophobicContact CE2-CE 3.81Å; Y192-M200 HydrophobicContact CG-CE 3.35Å |
| 193 | C | 92.1 | Very high | 86.1 | Confident | 17 Ų | 17 | 66 Ų | 66 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | trans | -64.9 | 149.2 | 168.1 | 67.3 | 0 | 0 | 0 | 0 | 109.3 | C173 L180 P195 C196 H197 | C173-C193 HydrophobicContact CB-CB 4.13Å; C173-C193 PolarHBondContact SG-N 3.29Å; C173-C193 VanDerWaalsContact SG-SG 3.63Å; L180-C193 HydrophobicContact CD2-CB 3.68Å; C193-P195 VanDerWaalsContact C-CD 3.43Å; C193-P195 VanDerWaalsContact C-N 3.29Å; C193-P195 VanDerWaalsContact O-N 3.15Å; C193-C196 PolarHBondContact O-N 2.86Å; C193-C196 PolarHBondContact SG-SG 3.36Å; C193-H197 PolarHBondContact O-N 3.45Å | ||
| 194 | L | 87.1 | Confident | 85.8 | Confident | 63 Ų | 63 | 67 Ų | 67 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -47.3 | -45.7 | -177.7 | -173.8 | 69.5 | 0 | 0 | 0 | 112.9 | R185 C196 H197 D198 | R185-L194 HydrophobicContact CG-CD1 4.21Å; L194-C196 VanDerWaalsContact C-N 3.35Å; L194-C196 PolarHBondContact O-N 3.35Å; L194-H197 PolarHBondContact O-N 3.01Å; L194-D198 WeakPolarHBondContact O-CB 3.43Å; L194-D198 PolarHBondContact O-N 3.2Å |
| 195 | P | 86.2 | Confident | 85.6 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 177.3 | -22.9 | 34.1 | 0 | 0 | 0 | 115 | C193 K199 | C193-P195 VanDerWaalsContact C-CD 3.43Å; C193-P195 VanDerWaalsContact C-N 3.29Å; C193-P195 VanDerWaalsContact O-N 3.15Å; P195-K199 WeakPolarHBondContact O-CD 3.44Å; P195-K199 VanDerWaalsContact O-CG 3.24Å; P195-K199 WeakPolarHBondContact O-CG 3.45Å; P195-K199 PolarHBondContact O-N 2.95Å |
| 196 | C | 86.3 | Confident | 85.4 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -79.2 | -38.5 | 178.3 | -71 | 0 | 0 | 0 | 0 | 111.3 | N175 C176 C193 L194 K199 M200 | N175-C196 HydrophobicContact CB-CB 4.03Å; N175-C196 PolarHBondContact ND2-SG 3.38Å; C176-C196 VanDerWaalsContact SG-SG 3.67Å; C193-C196 PolarHBondContact O-N 2.86Å; C193-C196 PolarHBondContact SG-SG 3.36Å; L194-C196 VanDerWaalsContact C-N 3.35Å; L194-C196 PolarHBondContact O-N 3.35Å; C196-K199 PolarHBondContact O-N 2.85Å; C196-M200 PolarHBondContact O-N 3.09Å |
| 197 | H | 87.2 | Confident | 85.2 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 26% | 0.255 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.4 | -50.3 | 173.1 | 175.1 | -89.7 | 0 | 0 | 0 | 110.9 | R185 C193 L194 K199 M200 | R185-H197 HydrophobicContact CB-CB 4.07Å; R185-H197 HydrophobicContact CG-CB 4.48Å; C193-H197 PolarHBondContact O-N 3.45Å; L194-H197 PolarHBondContact O-N 3.01Å; H197-K199 VanDerWaalsContact C-N 3.3Å; H197-K199 PolarHBondContact O-N 3Å; H197-M200 WeakPolarHBondContact O-CB 3.29Å; H197-M200 PolarHBondContact O-N 2.97Å; H197-M200 VanDerWaalsContact O-N 3.07Å |
| 198 | D | 82.9 | Confident | 85.2 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | -177.5 | -66.7 | -9.7 | 0 | 0 | 0 | 111.6 | L194 M200 G201 V202 | L194-D198 WeakPolarHBondContact O-CB 3.43Å; L194-D198 PolarHBondContact O-N 3.2Å; D198-M200 VanDerWaalsContact C-N 3.26Å; D198-M200 PolarHBondContact O-N 2.87Å; D198-G201 PolarHBondContact O-N 2.76Å; D198-V202 WeakPolarHBondContact O-CG2 3.44Å |
| 199 | K | 81 | Confident | 85.1 | Confident | 120 Ų | 120 | 59 Ų | 59 | 52% | 0.522 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -25.8 | 176.4 | -76.6 | 175.1 | -177.6 | -177.4 | 0 | 114.2 | P195 C196 H197 G201 V202 | P195-K199 WeakPolarHBondContact O-CD 3.44Å; P195-K199 VanDerWaalsContact O-CG 3.24Å; P195-K199 WeakPolarHBondContact O-CG 3.45Å; P195-K199 PolarHBondContact O-N 2.95Å; C196-K199 PolarHBondContact O-N 2.85Å; H197-K199 VanDerWaalsContact C-N 3.3Å; H197-K199 PolarHBondContact O-N 3Å; K199-G201 PolarHBondContact O-N 3.23Å; K199-V202 PolarHBondContact O-N 2.92Å; K199-V202 VanDerWaalsContact O-N 3.11Å |
| 200 | M | 76.1 | Confident | 84.8 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 41% | 0.414 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.9 | -20.6 | 178.5 | -73.4 | -169.6 | -79.4 | 0 | 0 | 113.2 | L187 Y192 C196 H197 D198 | L187-M200 HydrophobicContact CD2-CE 3.53Å; L187-M200 HydrophobicContact CD2-SD 3.85Å; Y192-M200 HydrophobicContact CD1-CE 3.27Å; Y192-M200 HydrophobicContact CD1-SD 4.24Å; Y192-M200 HydrophobicContact CD2-CE 3.61Å; Y192-M200 HydrophobicContact CE1-CE 3.45Å; Y192-M200 VanDerWaalsContact CE1-CE 3.45Å; Y192-M200 HydrophobicContact CE1-SD 3.88Å; Y192-M200 HydrophobicContact CE2-CE 3.81Å; Y192-M200 HydrophobicContact CG-CE 3.35Å; C196-M200 PolarHBondContact O-N 3.09Å; H197-M200 WeakPolarHBondContact O-CB 3.29Å; H197-M200 PolarHBondContact O-N 2.97Å; H197-M200 VanDerWaalsContact O-N 3.07Å; D198-M200 VanDerWaalsContact C-N 3.26Å; D198-M200 PolarHBondContact O-N 2.87Å |
| 201 | G | 73.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 71% | 0.711 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114 | D198 K199 | D198-G201 PolarHBondContact O-N 2.76Å; K199-G201 PolarHBondContact O-N 3.23Å |
| 202 | V | 79.1 | Confident | 84.2 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -85.9 | 123.5 | -175.1 | -176.5 | 0 | 0 | 0 | 0 | 110 | D198 K199 I204 P211 I212 | D198-V202 WeakPolarHBondContact O-CG2 3.44Å; K199-V202 PolarHBondContact O-N 2.92Å; K199-V202 VanDerWaalsContact O-N 3.11Å; V202-I204 PolarHBondContact O-N 2.78Å; V202-P211 HydrophobicContact CB-CB 4.07Å; V202-P211 HydrophobicContact CG1-CB 3.47Å; V202-P211 VanDerWaalsContact CG1-CB 3.47Å; V202-I212 VanDerWaalsContact CG1-O 3.32Å; V202-I212 WeakPolarHBondContact CG1-O 3.1Å |
| 203 | P | 81.6 | Confident | 83.6 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 21% | 0.208 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 133.8 | 179.6 | 23.8 | -32.7 | 0 | 0 | 0 | 111.5 | I212 V216 Q223 | P203-I212 HydrophobicContact CB-CD1 4.38Å; P203-I212 HydrophobicContact CG-CB 4.24Å; P203-I212 WeakPolarHBondContact O-CB 3.38Å; P203-I212 WeakPolarHBondContact O-CG1 3.49Å; P203-I212 PolarHBondContact O-N 3.4Å; P203-V216 HydrophobicContact CB-CG2 4.41Å; P203-V216 HydrophobicContact CG-CG2 4.41Å; P203-Q223 HydrophobicContact CB-CB 4.14Å; P203-Q223 HydrophobicContact CB-CG 4.35Å |
| 204 | I | 84.3 | Confident | 83 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -95.6 | 129.6 | -177.9 | -57.9 | 177.6 | 0 | 0 | 0 | 109.9 | V202 G206 | V202-I204 PolarHBondContact O-N 2.78Å; I204-G206 PolarHBondContact O-N 3.47Å |
| 205 | C | 88 | Confident | 82.8 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.007 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -67.8 | 128.4 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | A207 C208 R209 R210 I212 Q223 H225 | C205-A207 PolarHBondContact O-N 3.46Å; C205-A207 PolarHBondContact SG-N 3.42Å; C205-C208 VanDerWaalsContact CB-SG 3.57Å; C205-R209 VanDerWaalsContact O-CA 3.26Å; C205-R209 WeakPolarHBondContact O-CA 3.5Å; C205-R209 PolarHBondContact O-N 2.82Å; C205-R210 PolarHBondContact N-O 3.42Å; C205-I212 HydrophobicContact CB-CD1 3.97Å; C205-I212 HydrophobicContact CB-CG1 3.82Å; C205-Q223 CarbonylContact C-O 3.6Å; C205-Q223 VanDerWaalsContact CA-O 3.29Å; C205-Q223 WeakPolarHBondContact CA-O 3.2Å; C205-H225 WeakPolarHBondContact CB-ND1 3.42Å; C205-H225 PolarHBondContact SG-N 3.39Å; C205-H225 PolarHBondContact SG-ND1 3.13Å |
| 206 | G | 84.6 | Confident | 83 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | I204 Q223 W224 | I204-G206 PolarHBondContact O-N 3.47Å; G206-Q223 PolarHBondContact N-O 2.95Å; G206-W224 VanDerWaalsContact C-CZ3 3.42Å |
| 207 | A | 86.3 | Confident | 83.1 | Confident | 51 Ų | 51 | 79.6 Ų | 79.6 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -64.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C205 W224 H228 | C205-A207 PolarHBondContact O-N 3.46Å; C205-A207 PolarHBondContact SG-N 3.42Å; A207-W224 HydrophobicContact CB-CE3 3.87Å; A207-W224 HydrophobicContact CB-CZ3 3.81Å; A207-W224 VanDerWaalsContact N-CZ3 3.33Å; A207-H228 HydrophobicContact CB-CB 3.82Å |
| 208 | C | 88 | Confident | 83.2 | Confident | 39 Ų | 39 | 82.3 Ų | 82.3 | 26% | 0.264 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -6 | -172 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | C205 R210 H225 | C205-C208 VanDerWaalsContact CB-SG 3.57Å; C208-R210 PolarHBondContact O-N 2.97Å; C208-R210 VanDerWaalsContact O-N 3.11Å; C208-H225 PolarHBondContact SG-CE1 3.23Å; C208-H225 PolarHBondContact SG-ND1 3.32Å |
| 209 | R | 82.3 | Confident | 83.4 | Confident | 191 Ų | 191 | 78.7 Ų | 78.7 | 72% | 0.721 | 42% | 0.417 | S | S | * | . | trans | 57.6 | 21.2 | -178.6 | -55.4 | -64.5 | -173.1 | 136.6 | 4.9 | 114.6 | C205 | C205-R209 VanDerWaalsContact O-CA 3.26Å; C205-R209 WeakPolarHBondContact O-CA 3.5Å; C205-R209 PolarHBondContact O-N 2.82Å | ||
| 210 | R | 81.1 | Confident | 83.6 | Confident | 181 Ų | 181 | 75.2 Ų | 75.2 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -101.6 | 153.1 | 174.8 | -63.6 | -178.4 | -176.6 | 169.5 | 1.4 | 111.4 | C205 C208 | C205-R210 PolarHBondContact N-O 3.42Å; C208-R210 PolarHBondContact O-N 2.97Å; C208-R210 VanDerWaalsContact O-N 3.11Å |
| 211 | P | 83.4 | Confident | 83.9 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 33% | 0.325 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 139.5 | 172.3 | -18 | 30.4 | 0 | 0 | 0 | 111 | V202 H225 | V202-P211 HydrophobicContact CB-CB 4.07Å; V202-P211 HydrophobicContact CG1-CB 3.47Å; V202-P211 VanDerWaalsContact CG1-CB 3.47Å; P211-H225 PolarHBondContact O-NE2 3.4Å |
| 212 | I | 85.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | trans | -94 | 103.6 | 177.9 | -57.2 | 161.8 | 0 | 0 | 0 | 108.5 | V202 P203 C205 G214 V216 Q223 W224 | V202-I212 VanDerWaalsContact CG1-O 3.32Å; V202-I212 WeakPolarHBondContact CG1-O 3.1Å; P203-I212 HydrophobicContact CB-CD1 4.38Å; P203-I212 HydrophobicContact CG-CB 4.24Å; P203-I212 WeakPolarHBondContact O-CB 3.38Å; P203-I212 WeakPolarHBondContact O-CG1 3.49Å; P203-I212 PolarHBondContact O-N 3.4Å; C205-I212 HydrophobicContact CB-CD1 3.97Å; C205-I212 HydrophobicContact CB-CG1 3.82Å; I212-G214 PolarHBondContact O-N 2.83Å; I212-V216 HydrophobicContact CD1-CG2 4Å; I212-V216 HydrophobicContact CG2-CB 4.49Å; I212-Q223 HydrophobicContact CD1-CB 4.21Å; I212-W224 VanDerWaalsContact CD1-C 3.44Å | ||
| 213 | E | 79.1 | Confident | 85.2 | Confident | 175 Ų | 175 | 79.5 Ų | 79.5 | 82% | 0.818 | 42% | 0.424 | S | S | * | . | trans | -89.4 | 82.7 | 173.5 | -64.5 | 175.9 | -174.9 | 0 | 0 | 108.6 | ||||
| 214 | G | 79.5 | Confident | 85.6 | Confident | 59 Ų | 59 | 79.7 Ų | 79.7 | 61% | 0.608 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 139.8 | -142 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I212 V216 | I212-G214 PolarHBondContact O-N 2.83Å; G214-V216 PolarHBondContact O-N 2.94Å |
| 215 | R | 83.4 | Confident | 86 | Confident | 220 Ų | 220 | 76.8 Ų | 76.8 | 83% | 0.83 | 41% | 0.405 | S | S | * | . | trans | -64.4 | 125.3 | -178 | -83.5 | -170.9 | -85.1 | -173.3 | -5.6 | 111 | V226 | R215-V226 HydrophobicContact CB-CG2 3.94Š| ||
| 216 | V | 89.2 | Confident | 86.1 | Confident | 54 Ų | 54 | 79 Ų | 79 | 33% | 0.327 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.3 | 178.7 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | P203 I212 G214 Q223 | P203-V216 HydrophobicContact CB-CG2 4.41Å; P203-V216 HydrophobicContact CG-CG2 4.41Å; I212-V216 HydrophobicContact CD1-CG2 4Å; I212-V216 HydrophobicContact CG2-CB 4.49Å; G214-V216 PolarHBondContact O-N 2.94Å; V216-Q223 HydrophobicContact CG2-CB 3.74Å; V216-Q223 HydrophobicContact CG2-CG 4.19Å |
| 217 | V | 89.3 | Confident | 86.3 | Confident | 36 Ų | 36 | 84.9 Ų | 84.9 | 22% | 0.218 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.5 | 166.8 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | A219 Q223 W224 V226 F229 | V217-A219 HydrophobicContact CG1-CB 4.19Å; V217-Q223 CarbonylContact O-C 3.58Å; V217-Q223 WeakPolarHBondContact O-CA 3.25Å; V217-W224 HydrophobicContact CB-CB 4.33Å; V217-W224 PolarHBondContact N-O 2.84Å; V217-W224 PolarHBondContact O-N 3.4Å; V217-V226 HydrophobicContact CG2-CB 4.38Å; V217-V226 HydrophobicContact CG2-CG2 3.93Å; V217-F229 HydrophobicContact CB-CB 4.48Å; V217-F229 HydrophobicContact CG1-CB 4.27Å; V217-F229 HydrophobicContact CG1-CD1 3.77Å; V217-F229 HydrophobicContact CG1-CE1 4.32Å; V217-F229 HydrophobicContact CG1-CG 4.01Å |
| 218 | N | 89.4 | Confident | 86.6 | Confident | 112 Ų | 112 | 86 Ų | 86 | 60% | 0.599 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.2 | 172.9 | -61.5 | -53.4 | 0 | 0 | 0 | 108.4 | Q223 | N218-Q223 WeakPolarHBondContact OD1-CG 3.44Å; N218-Q223 PolarHBondContact OD1-NE2 3.05Å |
| 219 | A | 86.9 | Confident | 86.8 | Confident | 10 Ų | 10 | 84.7 Ų | 84.7 | 8% | 0.083 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 146 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V217 G221 K222 W224 F229 | V217-A219 HydrophobicContact CG1-CB 4.19Å; A219-G221 VanDerWaalsContact C-N 3.25Å; A219-G221 PolarHBondContact O-N 3.4Å; A219-K222 PolarHBondContact N-O 2.93Å; A219-K222 CarbonylContact O-C 3.57Å; A219-K222 PolarHBondContact O-N 3.16Å; A219-W224 PolarHBondContact O-NE1 2.85Å; A219-F229 HydrophobicContact CB-CD2 4.3Å; A219-F229 HydrophobicContact CB-CE1 4.01Å; A219-F229 HydrophobicContact CB-CE2 3.62Å; A219-F229 HydrophobicContact CB-CZ 3.45Å; A219-F229 VanDerWaalsContact CB-CZ 3.45Å |
| 220 | M | 83.8 | Confident | 87.3 | Confident | 47 Ų | 47 | 77.9 Ų | 77.9 | 23% | 0.232 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 36.5 | 175.9 | -46.7 | -178.4 | 65.3 | 0 | 0 | 113.4 | K222 F229 E245 G248 A250 | M220-K222 PolarHBondContact O-N 3.37Å; M220-K222 VanDerWaalsContact O-N 3.16Å; M220-F229 HydrophobicContact CG-CE2 4.46Å; M220-F229 HydrophobicContact SD-CE2 4.14Å; M220-E245 HydrophobicContact CE-CG 3.64Å; M220-G248 WeakPolarHBondContact CE-O 3.25Å; M220-A250 HydrophobicContact SD-CB 4Å |
| 221 | G | 83.4 | Confident | 87.8 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 94% | 0.938 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 13.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A219 | A219-G221 VanDerWaalsContact C-N 3.25Å; A219-G221 PolarHBondContact O-N 3.4Å |
| 222 | K | 88.6 | Confident | 88.2 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 167.3 | -178.8 | -67.9 | 178.4 | -176.5 | 173.4 | 0 | 111 | A219 M220 W224 | A219-K222 PolarHBondContact N-O 2.93Å; A219-K222 CarbonylContact O-C 3.57Å; A219-K222 PolarHBondContact O-N 3.16Å; M220-K222 PolarHBondContact O-N 3.37Å; M220-K222 VanDerWaalsContact O-N 3.16Å; K222-W224 HydrophobicContact CB-CZ2 3.89Å; K222-W224 HydrophobicContact CD-CH2 4.38Å; K222-W224 HydrophobicContact CD-CZ2 3.91Å; K222-W224 PolarHBondContact O-NE1 2.84Å |
| 223 | Q | 90.9 | Very high | 88.3 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.7 | 178.7 | -57.8 | -172.7 | -74.9 | 0 | 0 | 109.4 | P203 C205 G206 I212 V216 V217 N218 | P203-Q223 HydrophobicContact CB-CB 4.14Å; P203-Q223 HydrophobicContact CB-CG 4.35Å; C205-Q223 CarbonylContact C-O 3.6Å; C205-Q223 VanDerWaalsContact CA-O 3.29Å; C205-Q223 WeakPolarHBondContact CA-O 3.2Å; G206-Q223 PolarHBondContact N-O 2.95Å; I212-Q223 HydrophobicContact CD1-CB 4.21Å; V216-Q223 HydrophobicContact CG2-CB 3.74Å; V216-Q223 HydrophobicContact CG2-CG 4.19Å; V217-Q223 CarbonylContact O-C 3.58Å; V217-Q223 WeakPolarHBondContact O-CA 3.25Å; N218-Q223 WeakPolarHBondContact OD1-CG 3.44Å; N218-Q223 PolarHBondContact OD1-NE2 3.05Å |
| 224 | W | 91.5 | Very high | 88.8 | Confident | 37 Ų | 37 | 68.8 Ų | 68.8 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.3 | -173.7 | -47.2 | 82.4 | 0 | 0 | 0 | 110.8 | G206 A207 I212 V217 A219 K222 F229 | G206-W224 VanDerWaalsContact C-CZ3 3.42Å; A207-W224 HydrophobicContact CB-CE3 3.87Å; A207-W224 HydrophobicContact CB-CZ3 3.81Å; A207-W224 VanDerWaalsContact N-CZ3 3.33Å; I212-W224 VanDerWaalsContact CD1-C 3.44Å; V217-W224 HydrophobicContact CB-CB 4.33Å; V217-W224 PolarHBondContact N-O 2.84Å; V217-W224 PolarHBondContact O-N 3.4Å; A219-W224 PolarHBondContact O-NE1 2.85Å; K222-W224 HydrophobicContact CB-CZ2 3.89Å; K222-W224 HydrophobicContact CD-CH2 4.38Å; K222-W224 HydrophobicContact CD-CZ2 3.91Å; K222-W224 PolarHBondContact O-NE1 2.84Å; W224-F229 HydrophobicContact CB-CB 3.93Å; W224-F229 HydrophobicContact CB-CD2 4.48Å; W224-F229 AromaticContact CD1-CD2 3.94Å; W224-F229 HydrophobicContact CD2-CD2 4.08Å; W224-F229 HydrophobicContact CG-CB 4.29Å; W224-F229 AromaticContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CG 4.46Å |
| 225 | H | 90.9 | Very high | 89.3 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 19% | 0.194 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 146.6 | 159.9 | -64.6 | 101 | 0 | 0 | 0 | 109 | C205 C208 P211 E227 H228 F229 | C205-H225 WeakPolarHBondContact CB-ND1 3.42Å; C205-H225 PolarHBondContact SG-N 3.39Å; C205-H225 PolarHBondContact SG-ND1 3.13Å; C208-H225 PolarHBondContact SG-CE1 3.23Å; C208-H225 PolarHBondContact SG-ND1 3.32Å; P211-H225 PolarHBondContact O-NE2 3.4Å; H225-E227 PolarHBondContact O-N 3.16Å; H225-E227 VanDerWaalsContact O-N 3.16Å; H225-H228 HydrophobicContact CB-CB 4.01Å; H225-H228 VanDerWaalsContact CB-ND1 3.29Å; H225-H228 WeakPolarHBondContact CB-ND1 3.41Å; H225-H228 AromaticContact CG-ND1 3.36Å; H225-H228 AromaticContact ND1-CE1 3.71Å; H225-H228 AromaticContact ND1-ND1 3.03Å; H225-H228 PolarHBondContact ND1-ND1 2.94Å; H225-H228 PolarHBondContact O-N 3.48Å; H225-F229 PolarHBondContact O-N 3.28Å; H225-F229 VanDerWaalsContact O-N 3.11Å |
| 226 | V | 90.4 | Very high | 89.6 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.8 | 176.5 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | R215 V217 L239 | R215-V226 HydrophobicContact CB-CG2 3.94Å; V217-V226 HydrophobicContact CG2-CB 4.38Å; V217-V226 HydrophobicContact CG2-CG2 3.93Å; V226-L239 HydrophobicContact CG1-CD2 3.67Å |
| 227 | E | 90.3 | Very high | 89.7 | Confident | 145 Ų | 145 | 70 Ų | 70 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -25.7 | 179.7 | -61 | 178.8 | 172.7 | 0 | 0 | 113.6 | H225 V230 | H225-E227 PolarHBondContact O-N 3.16Å; H225-E227 VanDerWaalsContact O-N 3.16Å; E227-V230 WeakPolarHBondContact O-CG1 3.38Å |
| 228 | H | 90.8 | Very high | 89.7 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -10.7 | -176.9 | -68 | 125.6 | 0 | 0 | 0 | 113.2 | A207 H225 V230 | A207-H228 HydrophobicContact CB-CB 3.82Å; H225-H228 HydrophobicContact CB-CB 4.01Å; H225-H228 VanDerWaalsContact CB-ND1 3.29Å; H225-H228 WeakPolarHBondContact CB-ND1 3.41Å; H225-H228 AromaticContact CG-ND1 3.36Å; H225-H228 AromaticContact ND1-CE1 3.71Å; H225-H228 AromaticContact ND1-ND1 3.03Å; H225-H228 PolarHBondContact ND1-ND1 2.94Å; H225-H228 PolarHBondContact O-N 3.48Å; H228-V230 PolarHBondContact O-N 3.49Å |
| 229 | F | 93.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 5% | 0.053 | 37% | 0.367 | C | S | . | . | trans | -84 | 89.4 | 170 | -168.1 | -118.6 | 0 | 0 | 0 | 109.4 | V217 A219 M220 W224 H225 P237 F238 H243 A250 | V217-F229 HydrophobicContact CB-CB 4.48Å; V217-F229 HydrophobicContact CG1-CB 4.27Å; V217-F229 HydrophobicContact CG1-CD1 3.77Å; V217-F229 HydrophobicContact CG1-CE1 4.32Å; V217-F229 HydrophobicContact CG1-CG 4.01Å; A219-F229 HydrophobicContact CB-CD2 4.3Å; A219-F229 HydrophobicContact CB-CE1 4.01Å; A219-F229 HydrophobicContact CB-CE2 3.62Å; A219-F229 HydrophobicContact CB-CZ 3.45Å; A219-F229 VanDerWaalsContact CB-CZ 3.45Å; M220-F229 HydrophobicContact CG-CE2 4.46Å; M220-F229 HydrophobicContact SD-CE2 4.14Å; W224-F229 HydrophobicContact CB-CB 3.93Å; W224-F229 HydrophobicContact CB-CD2 4.48Å; W224-F229 AromaticContact CD1-CD2 3.94Å; W224-F229 HydrophobicContact CD2-CD2 4.08Å; W224-F229 HydrophobicContact CG-CB 4.29Å; W224-F229 AromaticContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CG 4.46Å; H225-F229 PolarHBondContact O-N 3.28Å; H225-F229 VanDerWaalsContact O-N 3.11Å; F229-P237 WeakPolarHBondContact O-CA 3.48Å; F229-F238 HydrophobicContact CD1-CB 4.19Å; F229-F238 AromaticContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CD2 3.41Å; F229-F238 VanDerWaalsContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CE2 4.2Å; F229-F238 HydrophobicContact CD1-CG 4.19Å; F229-F238 AromaticContact CE1-CD2 3.47Å; F229-F238 HydrophobicContact CE1-CD2 3.47Å; F229-F238 VanDerWaalsContact CE1-CD2 3.47Å; F229-F238 AromaticContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CG 4.22Å; F229-F238 HydrophobicContact CG-CD2 4.09Å; F229-F238 HydrophobicContact CZ-CD2 4.19Å; F229-F238 HydrophobicContact CZ-CE2 4.26Å; F229-F238 WeakPolarHBondContact O-CD2 3.43Å; F229-F238 PolarHBondContact O-N 2.99Å; F229-H243 HydrophobicContact CE1-CB 4.38Å; F229-H243 AromaticContact CE1-CD2 3.95Å; F229-H243 AromaticContact CE1-CE1 3.95Å; F229-H243 AromaticContact CE1-CG 3.81Å; F229-H243 AromaticContact CE1-ND1 3.81Å; F229-H243 AromaticContact CZ-CD2 3.64Å; F229-H243 AromaticContact CZ-CG 3.97Å; F229-H243 AromaticContact CZ-NE2 3.75Å; F229-A250 HydrophobicContact CE2-CB 4Å; F229-A250 HydrophobicContact CZ-CB 3.89Å | ||
| 230 | V | 92.5 | Very high | 89.1 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 29% | 0.285 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -117.8 | 158.6 | -170.8 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | E227 H228 A232 E235 K236 P237 F238 | E227-V230 WeakPolarHBondContact O-CG1 3.38Å; H228-V230 PolarHBondContact O-N 3.49Å; V230-A232 PolarHBondContact O-N 3.34Å; V230-E235 WeakPolarHBondContact CB-O 3.47Å; V230-E235 WeakPolarHBondContact CG1-O 3.33Å; V230-K236 WeakPolarHBondContact CA-O 3.48Å; V230-P237 HydrophobicContact CG1-CB 4.13Å; V230-F238 WeakPolarHBondContact O-CE2 3.34Å |
| 231 | C | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | trans | -67.9 | 129.9 | 170.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | K233 C234 E235 K236 F238 A250 C252 | C231-K233 PolarHBondContact O-N 3.04Å; C231-K233 PolarHBondContact SG-N 3.1Å; C231-K233 VanDerWaalsContact SG-N 3.43Å; C231-C234 VanDerWaalsContact CB-SG 3.56Å; C231-C234 PolarHBondContact O-N 3.2Å; C231-E235 VanDerWaalsContact O-CA 3.24Å; C231-E235 WeakPolarHBondContact O-CA 3.4Å; C231-E235 PolarHBondContact O-N 3.12Å; C231-K236 PolarHBondContact N-O 3.39Å; C231-F238 HydrophobicContact CB-CE1 4.2Å; C231-F238 HydrophobicContact CB-CZ 3.82Å; C231-A250 CarbonylContact C-O 3.51Å; C231-A250 WeakPolarHBondContact CA-O 3.01Å; C231-C252 HydrophobicContact CB-CB 4.23Å; C231-C252 PolarHBondContact SG-N 2.96Å | ||
| 232 | A | 90.3 | Very high | 89.1 | Confident | 50 Ų | 50 | 81 Ų | 81 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -14 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | V230 L249 A250 Y251 | V230-A232 PolarHBondContact O-N 3.34Å; A232-L249 HydrophobicContact CB-CB 4.07Å; A232-L249 HydrophobicContact CB-CD1 4.43Å; A232-L249 HydrophobicContact CB-CD2 4.31Å; A232-A250 PolarHBondContact N-O 3.08Å; A232-Y251 HydrophobicContact CB-CD1 4.45Å; A232-Y251 HydrophobicContact CB-CE1 4.06Å |
| 233 | K | 88.2 | Confident | 89.2 | Confident | 130 Ų | 130 | 78.9 Ų | 78.9 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -39.9 | -178.8 | -175.1 | 58.8 | 179 | 177.6 | 0 | 114.1 | C231 Y251 H255 L259 | C231-K233 PolarHBondContact O-N 3.04Å; C231-K233 PolarHBondContact SG-N 3.1Å; C231-K233 VanDerWaalsContact SG-N 3.43Å; K233-Y251 HydrophobicContact CB-CD1 4.46Å; K233-H255 HydrophobicContact CB-CB 3.92Å; K233-H255 HydrophobicContact CG-CB 4.18Å; K233-L259 HydrophobicContact CG-CD1 4.47Å |
| 234 | C | 90.3 | Very high | 89 | Confident | 41 Ų | 41 | 77.8 Ų | 77.8 | 28% | 0.277 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -1.6 | -177.9 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | C231 K236 H255 | C231-C234 VanDerWaalsContact CB-SG 3.56Å; C231-C234 PolarHBondContact O-N 3.2Å; C234-K236 HydrophobicContact CB-CG 4.43Å; C234-K236 PolarHBondContact O-N 3.32Å; C234-H255 WeakPolarHBondContact CB-CE1 3.17Å; C234-H255 PolarHBondContact SG-CE1 3Å; C234-H255 PolarHBondContact SG-ND1 3.47Å; C234-H255 VanDerWaalsContact SG-ND1 3.42Å |
| 235 | E | 90.1 | Very high | 88.9 | Confident | 155 Ų | 155 | 81.1 Ų | 81.1 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | trans | 59.2 | 12.3 | 176.9 | -56.4 | 177.9 | 176.2 | 0 | 0 | 114.1 | V230 C231 | V230-E235 WeakPolarHBondContact CB-O 3.47Å; V230-E235 WeakPolarHBondContact CG1-O 3.33Å; C231-E235 VanDerWaalsContact O-CA 3.24Å; C231-E235 WeakPolarHBondContact O-CA 3.4Å; C231-E235 PolarHBondContact O-N 3.12Å | ||
| 236 | K | 89.9 | Confident | 88.6 | Confident | 151 Ų | 151 | 84.7 Ų | 84.7 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | trans | -77.3 | 132.1 | 175.3 | -66.4 | -173.8 | 179.2 | -177.6 | 0 | 110 | V230 C231 C234 | V230-K236 WeakPolarHBondContact CA-O 3.48Å; C231-K236 PolarHBondContact N-O 3.39Å; C234-K236 HydrophobicContact CB-CG 4.43Å; C234-K236 PolarHBondContact O-N 3.32Å | ||
| 237 | P | 90.3 | Very high | 88.3 | Confident | 53 Ų | 53 | 92.1 Ų | 92.1 | 34% | 0.344 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -65.4 | 144.1 | 175.8 | 26.3 | -32.9 | 0 | 0 | 0 | 110.9 | F229 V230 L239 | F229-P237 WeakPolarHBondContact O-CA 3.48Å; V230-P237 HydrophobicContact CG1-CB 4.13Å; P237-L239 HydrophobicContact CB-CD2 3.96Å; P237-L239 HydrophobicContact CB-CG 4.1Å; P237-L239 HydrophobicContact CG-CD1 4.49Å; P237-L239 HydrophobicContact CG-CD2 4.14Å; P237-L239 HydrophobicContact CG-CG 4.12Å |
| 238 | F | 89.5 | Confident | 88 | Confident | 11 Ų | 11 | 87.5 Ų | 87.5 | 5% | 0.048 | 44% | 0.444 | C | S | . | . | trans | -73.5 | -29.2 | 179.7 | -68.2 | -72.4 | 0 | 0 | 0 | 112.5 | F229 V230 C231 G240 H241 H243 A250 C252 | F229-F238 HydrophobicContact CD1-CB 4.19Å; F229-F238 AromaticContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CD2 3.41Å; F229-F238 VanDerWaalsContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CE2 4.2Å; F229-F238 HydrophobicContact CD1-CG 4.19Å; F229-F238 AromaticContact CE1-CD2 3.47Å; F229-F238 HydrophobicContact CE1-CD2 3.47Å; F229-F238 VanDerWaalsContact CE1-CD2 3.47Å; F229-F238 AromaticContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CG 4.22Å; F229-F238 HydrophobicContact CG-CD2 4.09Å; F229-F238 HydrophobicContact CZ-CD2 4.19Å; F229-F238 HydrophobicContact CZ-CE2 4.26Å; F229-F238 WeakPolarHBondContact O-CD2 3.43Å; F229-F238 PolarHBondContact O-N 2.99Å; V230-F238 WeakPolarHBondContact O-CE2 3.34Å; C231-F238 HydrophobicContact CB-CE1 4.2Å; C231-F238 HydrophobicContact CB-CZ 3.82Å; F238-G240 PolarHBondContact O-N 3.42Å; F238-H241 WeakPolarHBondContact O-CB 3.31Å; F238-H241 PolarHBondContact O-CD2 3.1Å; F238-H241 PolarHBondContact O-N 3.48Å; F238-H243 HydrophobicContact CD1-CB 3.75Å; F238-H243 HydrophobicContact CD2-CB 4.18Å; F238-H243 HydrophobicContact CE1-CB 3.54Å; F238-H243 HydrophobicContact CE2-CB 3.99Å; F238-H243 HydrophobicContact CG-CB 4.06Å; F238-H243 HydrophobicContact CZ-CB 3.67Å; F238-A250 HydrophobicContact CE2-CB 3.66Å; F238-A250 HydrophobicContact CZ-CB 3.95Å; F238-C252 HydrophobicContact CE1-CB 3.87Å | ||
| 239 | L | 86.1 | Confident | 87.9 | Confident | 112 Ų | 112 | 87.9 Ų | 87.9 | 59% | 0.586 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 28.1 | 179.5 | -54.7 | -178.7 | 0 | 0 | 0 | 114.5 | V226 P237 | V226-L239 HydrophobicContact CG1-CD2 3.67Å; P237-L239 HydrophobicContact CB-CD2 3.96Å; P237-L239 HydrophobicContact CB-CG 4.1Å; P237-L239 HydrophobicContact CG-CD1 4.49Å; P237-L239 HydrophobicContact CG-CD2 4.14Å; P237-L239 HydrophobicContact CG-CG 4.12Å |
| 240 | G | 78.7 | Confident | 87.7 | Confident | 81 Ų | 81 | 87.6 Ų | 87.6 | 84% | 0.835 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -4.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F238 | F238-G240 PolarHBondContact O-N 3.42Š|
| 241 | H | 83.1 | Confident | 87.6 | Confident | 141 Ų | 141 | 86.7 Ų | 86.7 | 65% | 0.653 | 44% | 0.439 | S | S | * | . | trans | -66 | 156 | 169.6 | -65.7 | -69.7 | 0 | 0 | 0 | 112 | F238 H243 | F238-H241 WeakPolarHBondContact O-CB 3.31Å; F238-H241 PolarHBondContact O-CD2 3.1Å; F238-H241 PolarHBondContact O-N 3.48Å; H241-H243 PolarHBondContact O-N 3.14Å | ||
| 242 | R | 83.8 | Confident | 87.5 | Confident | 182 Ų | 182 | 87.8 Ų | 87.8 | 69% | 0.687 | 45% | 0.447 | S | S | * | . | trans | -59.8 | 135.1 | -179.7 | -161.1 | 175.1 | -174.1 | 178.3 | 2.1 | 110.5 | Y244 | R242-Y244 HydrophobicContact CG-CE2 4.36Å; R242-Y244 PolarHBondContact NE-OH 3.1Å | ||
| 243 | H | 89.1 | Confident | 87.2 | Confident | 71 Ų | 71 | 89.8 Ų | 89.8 | 33% | 0.329 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 155.7 | 176.8 | 66.1 | -80.9 | 0 | 0 | 0 | 109.8 | F229 F238 H241 | F229-H243 HydrophobicContact CE1-CB 4.38Å; F229-H243 AromaticContact CE1-CD2 3.95Å; F229-H243 AromaticContact CE1-CE1 3.95Å; F229-H243 AromaticContact CE1-CG 3.81Å; F229-H243 AromaticContact CE1-ND1 3.81Å; F229-H243 AromaticContact CZ-CD2 3.64Å; F229-H243 AromaticContact CZ-CG 3.97Å; F229-H243 AromaticContact CZ-NE2 3.75Å; F238-H243 HydrophobicContact CD1-CB 3.75Å; F238-H243 HydrophobicContact CD2-CB 4.18Å; F238-H243 HydrophobicContact CE1-CB 3.54Å; F238-H243 HydrophobicContact CE2-CB 3.99Å; F238-H243 HydrophobicContact CG-CB 4.06Å; F238-H243 HydrophobicContact CZ-CB 3.67Å; H241-H243 PolarHBondContact O-N 3.14Å |
| 244 | Y | 88.4 | Confident | 87 | Confident | 51 Ų | 51 | 87.4 Ų | 87.4 | 20% | 0.2 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.5 | 178.8 | -63.6 | -89.5 | 0 | 0 | 0 | 109.5 | R242 Y251 E253 Y256 | R242-Y244 HydrophobicContact CG-CE2 4.36Å; R242-Y244 PolarHBondContact NE-OH 3.1Å; Y244-Y251 PolarHBondContact N-O 3.18Å; Y244-Y251 PolarHBondContact O-N 3.24Å; Y244-E253 HydrophobicContact CD2-CB 4.29Å; Y244-E253 HydrophobicContact CE2-CB 3.68Å; Y244-E253 HydrophobicContact CE2-CG 3.79Å; Y244-E253 PolarHBondContact OH-OE1 3.02Å; Y244-Y256 VanDerWaalsContact CB-CD2 3.47Å; Y244-Y256 HydrophobicContact CG-CD1 4.23Å; Y244-Y256 HydrophobicContact CG-CD2 4.4Å; Y244-Y256 HydrophobicContact CG-CG 4.1Å |
| 245 | E | 87.6 | Confident | 86.7 | Confident | 107 Ų | 107 | 87.2 Ų | 87.2 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.6 | -178.1 | -177.5 | 178.3 | 165.2 | 0 | 0 | 111.5 | M220 L249 | M220-E245 HydrophobicContact CE-CG 3.64Å; E245-L249 WeakPolarHBondContact CA-O 3.42Å |
| 246 | R | 84.8 | Confident | 86.6 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 127.5 | 169.2 | -169.3 | 64.4 | 71.5 | 162.9 | 8 | 111.1 | G248 L249 Y251 Y256 F260 | R246-G248 PolarHBondContact O-N 3.01Å; R246-L249 PolarHBondContact N-O 2.7Å; R246-L249 PolarHBondContact O-N 3.31Å; R246-Y251 HydrophobicContact CB-CD2 4.36Å; R246-Y251 HydrophobicContact CB-CE2 4.11Å; R246-Y256 HydrophobicContact CB-CE2 4.16Å; R246-Y256 PolarHBondContact NH2-OH 3.28Å; R246-F260 HydrophobicContact CB-CE2 4.41Å; R246-F260 HydrophobicContact CG-CE2 4.45Å; R246-F260 HydrophobicContact CG-CZ 4.39Å |
| 247 | K | 85.3 | Confident | 86.2 | Confident | 202 Ų | 202 | 76.1 Ų | 76.1 | 88% | 0.878 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37.3 | -179.9 | -62.8 | -176.8 | 177.8 | -178.3 | 0 | 113.5 | L249 | K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.49Å |
| 248 | G | 83.8 | Confident | 85.6 | Confident | 47 Ų | 47 | 79.7 Ų | 79.7 | 49% | 0.485 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 17.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | M220 R246 | M220-G248 WeakPolarHBondContact CE-O 3.25Å; R246-G248 PolarHBondContact O-N 3.01Å |
| 249 | L | 88.4 | Confident | 85 | Confident | 84 Ų | 84 | 83.1 Ų | 83.1 | 44% | 0.44 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.9 | 170 | -63.8 | 172.7 | 0 | 0 | 0 | 111.1 | A232 E245 R246 K247 Y251 | A232-L249 HydrophobicContact CB-CB 4.07Å; A232-L249 HydrophobicContact CB-CD1 4.43Å; A232-L249 HydrophobicContact CB-CD2 4.31Å; E245-L249 WeakPolarHBondContact CA-O 3.42Å; R246-L249 PolarHBondContact N-O 2.7Å; R246-L249 PolarHBondContact O-N 3.31Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.49Å; L249-Y251 HydrophobicContact CB-CE2 3.7Å; L249-Y251 WeakPolarHBondContact CD1-OH 3.37Å |
| 250 | A | 90.3 | Very high | 84.8 | Confident | 6 Ų | 6 | 82.2 Ų | 82.2 | 5% | 0.05 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M220 F229 C231 A232 F238 | M220-A250 HydrophobicContact SD-CB 4Å; F229-A250 HydrophobicContact CE2-CB 4Å; F229-A250 HydrophobicContact CZ-CB 3.89Å; C231-A250 CarbonylContact C-O 3.51Å; C231-A250 WeakPolarHBondContact CA-O 3.01Å; A232-A250 PolarHBondContact N-O 3.08Å; F238-A250 HydrophobicContact CE2-CB 3.66Å; F238-A250 HydrophobicContact CZ-CB 3.95Å |
| 251 | Y | 89.9 | Confident | 84.6 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 11% | 0.106 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.8 | 177.8 | -61.5 | -89.6 | 0 | 0 | 0 | 110.3 | A232 K233 Y244 R246 L249 Y256 L259 F260 | A232-Y251 HydrophobicContact CB-CD1 4.45Å; A232-Y251 HydrophobicContact CB-CE1 4.06Å; K233-Y251 HydrophobicContact CB-CD1 4.46Å; Y244-Y251 PolarHBondContact N-O 3.18Å; Y244-Y251 PolarHBondContact O-N 3.24Å; R246-Y251 HydrophobicContact CB-CD2 4.36Å; R246-Y251 HydrophobicContact CB-CE2 4.11Å; L249-Y251 HydrophobicContact CB-CE2 3.7Å; L249-Y251 WeakPolarHBondContact CD1-OH 3.37Å; Y251-Y256 HydrophobicContact CD2-CD2 4.39Å; Y251-L259 HydrophobicContact CD1-CD1 3.92Å; Y251-L259 HydrophobicContact CE1-CD1 3.66Å; Y251-F260 HydrophobicContact CD1-CE2 4.42Å; Y251-F260 HydrophobicContact CD2-CE2 4.04Å; Y251-F260 HydrophobicContact CE1-CE2 4.2Å; Y251-F260 AromaticContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CZ 4.21Å; Y251-F260 HydrophobicContact CG-CE2 4.34Å; Y251-F260 AromaticContact CZ-CE2 3.9Å |
| 252 | C | 89.7 | Confident | 84.3 | Confident | 24 Ų | 24 | 76.8 Ų | 76.8 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 157.9 | 165.5 | 67.1 | 0 | 0 | 0 | 0 | 110 | C231 F238 T254 H255 Y256 | C231-C252 HydrophobicContact CB-CB 4.23Å; C231-C252 PolarHBondContact SG-N 2.96Å; F238-C252 HydrophobicContact CE1-CB 3.87Å; C252-T254 PolarHBondContact O-N 2.89Å; C252-T254 PolarHBondContact SG-OG1 3.09Å; C252-H255 PolarHBondContact O-N 3.08Å; C252-H255 VanDerWaalsContact O-N 3.14Å; C252-H255 PolarHBondContact SG-ND1 2.98Å; C252-Y256 WeakPolarHBondContact O-CB 3.49Å; C252-Y256 PolarHBondContact O-N 3.01Å |
| 253 | E | 84.2 | Confident | 83.9 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -47.9 | -47.8 | -177.5 | -171.7 | 152.9 | -129.7 | 0 | 0 | 112.9 | Y244 Y256 N257 | Y244-E253 HydrophobicContact CD2-CB 4.29Å; Y244-E253 HydrophobicContact CE2-CB 3.68Å; Y244-E253 HydrophobicContact CE2-CG 3.79Å; Y244-E253 PolarHBondContact OH-OE1 3.02Å; E253-Y256 PolarHBondContact O-N 2.92Å; E253-N257 VanDerWaalsContact O-CB 3.31Å; E253-N257 WeakPolarHBondContact O-CB 3.32Å; E253-N257 VanDerWaalsContact O-CG 3.3Å; E253-N257 PolarHBondContact O-N 3.16Å; E253-N257 PolarHBondContact O-ND2 3.04Å |
| 254 | T | 83.6 | Confident | 83.6 | Confident | 80 Ų | 80 | 68.2 Ų | 68.2 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -50.2 | 179.9 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | C252 Q258 | C252-T254 PolarHBondContact O-N 2.89Å; C252-T254 PolarHBondContact SG-OG1 3.09Å; T254-Q258 WeakPolarHBondContact O-CB 3.2Å; T254-Q258 WeakPolarHBondContact O-CG 3.48Å; T254-Q258 PolarHBondContact O-N 3.29Å |
| 255 | H | 85.3 | Confident | 83.3 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.9 | -31 | -179.2 | -67.6 | 123 | 0 | 0 | 0 | 112.7 | K233 C234 C252 Q258 L259 | K233-H255 HydrophobicContact CB-CB 3.92Å; K233-H255 HydrophobicContact CG-CB 4.18Å; C234-H255 WeakPolarHBondContact CB-CE1 3.17Å; C234-H255 PolarHBondContact SG-CE1 3Å; C234-H255 PolarHBondContact SG-ND1 3.47Å; C234-H255 VanDerWaalsContact SG-ND1 3.42Å; C252-H255 PolarHBondContact O-N 3.08Å; C252-H255 VanDerWaalsContact O-N 3.14Å; C252-H255 PolarHBondContact SG-ND1 2.98Å; H255-Q258 PolarHBondContact CD2-OE1 3.49Å; H255-Q258 PolarHBondContact O-N 2.82Å; H255-L259 VanDerWaalsContact O-CB 3.3Å; H255-L259 WeakPolarHBondContact O-CB 3.33Å; H255-L259 WeakPolarHBondContact O-CD1 3.4Å; H255-L259 VanDerWaalsContact O-CG 3.23Å; H255-L259 WeakPolarHBondContact O-CG 3.24Å; H255-L259 PolarHBondContact O-N 3.08Å |
| 256 | Y | 86 | Confident | 83 | Confident | 41 Ų | 41 | 70 Ų | 70 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -48.9 | 174 | -176 | -92.5 | 0 | 0 | 0 | 110.6 | Y244 R246 Y251 C252 E253 L259 F260 | Y244-Y256 VanDerWaalsContact CB-CD2 3.47Å; Y244-Y256 HydrophobicContact CG-CD1 4.23Å; Y244-Y256 HydrophobicContact CG-CD2 4.4Å; Y244-Y256 HydrophobicContact CG-CG 4.1Å; R246-Y256 HydrophobicContact CB-CE2 4.16Å; R246-Y256 PolarHBondContact NH2-OH 3.28Å; Y251-Y256 HydrophobicContact CD2-CD2 4.39Å; C252-Y256 WeakPolarHBondContact O-CB 3.49Å; C252-Y256 PolarHBondContact O-N 3.01Å; E253-Y256 PolarHBondContact O-N 2.92Å; Y256-L259 PolarHBondContact O-N 3.2Å; Y256-F260 AromaticContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CE2 4.35Å; Y256-F260 HydrophobicContact CE2-CD2 4.04Å; Y256-F260 HydrophobicContact CG-CD2 4.28Å; Y256-F260 WeakPolarHBondContact O-CA 3.08Å; Y256-F260 WeakPolarHBondContact O-CB 3.48Å; Y256-F260 WeakPolarHBondContact O-CD2 3.43Å; Y256-F260 PolarHBondContact O-N 2.94Å |
| 257 | N | 81.8 | Confident | 82.9 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 177.3 | -74.7 | -10.2 | 0 | 0 | 0 | 111.9 | E253 G261 V270 | E253-N257 VanDerWaalsContact O-CB 3.31Å; E253-N257 WeakPolarHBondContact O-CB 3.32Å; E253-N257 VanDerWaalsContact O-CG 3.3Å; E253-N257 PolarHBondContact O-N 3.16Å; E253-N257 PolarHBondContact O-ND2 3.04Å; N257-G261 WeakPolarHBondContact O-CA 3.3Å; N257-G261 PolarHBondContact O-N 3.23Å; N257-V270 HydrophobicContact CB-CG1 3.83Å; N257-V270 WeakPolarHBondContact O-CG1 3.43Å |
| 258 | Q | 77.6 | Confident | 82.4 | Confident | 127 Ų | 127 | 63 Ų | 63 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.7 | -37.1 | 176.2 | -75.7 | 171.9 | 7.6 | 0 | 0 | 113.8 | T254 H255 | T254-Q258 WeakPolarHBondContact O-CB 3.2Å; T254-Q258 WeakPolarHBondContact O-CG 3.48Å; T254-Q258 PolarHBondContact O-N 3.29Å; H255-Q258 PolarHBondContact CD2-OE1 3.49Å; H255-Q258 PolarHBondContact O-N 2.82Å |
| 259 | L | 78.6 | Confident | 82 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -87.9 | -30.5 | -176 | -68.2 | 170 | 0 | 0 | 0 | 113 | K233 Y251 H255 Y256 | K233-L259 HydrophobicContact CG-CD1 4.47Å; Y251-L259 HydrophobicContact CD1-CD1 3.92Å; Y251-L259 HydrophobicContact CE1-CD1 3.66Å; H255-L259 VanDerWaalsContact O-CB 3.3Å; H255-L259 WeakPolarHBondContact O-CB 3.33Å; H255-L259 WeakPolarHBondContact O-CD1 3.4Å; H255-L259 VanDerWaalsContact O-CG 3.23Å; H255-L259 WeakPolarHBondContact O-CG 3.24Å; H255-L259 PolarHBondContact O-N 3.08Å; Y256-L259 PolarHBondContact O-N 3.2Å |
| 260 | F | 80.3 | Confident | 81.4 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -133.9 | -2.4 | -168.8 | -48.2 | -65.4 | 0 | 0 | 0 | 114.1 | R246 Y251 Y256 | R246-F260 HydrophobicContact CB-CE2 4.41Å; R246-F260 HydrophobicContact CG-CE2 4.45Å; R246-F260 HydrophobicContact CG-CZ 4.39Å; Y251-F260 HydrophobicContact CD1-CE2 4.42Å; Y251-F260 HydrophobicContact CD2-CE2 4.04Å; Y251-F260 HydrophobicContact CE1-CE2 4.2Å; Y251-F260 AromaticContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CZ 4.21Å; Y251-F260 HydrophobicContact CG-CE2 4.34Å; Y251-F260 AromaticContact CZ-CE2 3.9Å; Y256-F260 AromaticContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CE2 4.35Å; Y256-F260 HydrophobicContact CE2-CD2 4.04Å; Y256-F260 HydrophobicContact CG-CD2 4.28Å; Y256-F260 WeakPolarHBondContact O-CA 3.08Å; Y256-F260 WeakPolarHBondContact O-CB 3.48Å; Y256-F260 WeakPolarHBondContact O-CD2 3.43Å; Y256-F260 PolarHBondContact O-N 2.94Å |
| 261 | G | 75.8 | Confident | 80.9 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 24% | 0.237 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -81.9 | 155 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N257 | N257-G261 WeakPolarHBondContact O-CA 3.3Å; N257-G261 PolarHBondContact O-N 3.23Å |
| 262 | D | 75.6 | Confident | 79.8 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 127.1 | 176 | -70.9 | -52.5 | 0 | 0 | 0 | 110.5 | I271 V275 A282 | D262-I271 HydrophobicContact CB-CD1 4.2Å; D262-I271 WeakPolarHBondContact O-CB 3.41Å; D262-I271 WeakPolarHBondContact O-CG1 3.13Å; D262-I271 PolarHBondContact O-N 2.88Å; D262-V275 HydrophobicContact CB-CG2 4.1Å; D262-A282 HydrophobicContact CB-CB 3.94Å |
| 263 | V | 77.2 | Confident | 78.9 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -92 | 127.7 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | F265 V270 | V263-F265 PolarHBondContact O-N 3.49Å; V263-V270 HydrophobicContact CG2-CG2 4.4Å |
| 264 | C | 81.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 126 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | H266 C267 N268 R269 I271 A282 C284 C287 | C264-H266 PolarHBondContact O-N 2.87Å; C264-H266 PolarHBondContact SG-N 2.89Å; C264-H266 VanDerWaalsContact SG-N 3.45Å; C264-C267 WeakPolarHBondContact CB-SG 3.42Å; C264-N268 VanDerWaalsContact O-CA 3.27Å; C264-N268 WeakPolarHBondContact O-CA 3.36Å; C264-N268 PolarHBondContact O-N 2.86Å; C264-R269 PolarHBondContact N-O 2.81Å; C264-I271 HydrophobicContact CB-CD1 3.98Å; C264-I271 HydrophobicContact CB-CG1 3.77Å; C264-A282 WeakPolarHBondContact CA-O 3.38Å; C264-C284 HydrophobicContact CB-CB 3.98Å; C264-C284 PolarHBondContact SG-N 2.86Å; C264-C287 WeakPolarHBondContact SG-CB 3.13Å; C264-C287 PolarHBondContact SG-SG 3.34Å |
| 265 | F | 81.3 | Confident | 78.4 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.8 | 179.7 | -178.8 | -106.3 | 0 | 0 | 0 | 114.7 | V263 K281 A282 W283 M308 | V263-F265 PolarHBondContact O-N 3.49Å; F265-K281 HydrophobicContact CB-CB 4.24Å; F265-K281 HydrophobicContact CB-CD 4.28Å; F265-K281 HydrophobicContact CD1-CD 3.82Å; F265-K281 HydrophobicContact CD2-CD 3.63Å; F265-K281 HydrophobicContact CD2-CG 4.33Å; F265-K281 HydrophobicContact CE1-CD 3.97Å; F265-K281 HydrophobicContact CE2-CD 3.79Å; F265-K281 HydrophobicContact CG-CB 4.49Å; F265-K281 HydrophobicContact CG-CD 3.63Å; F265-K281 HydrophobicContact CG-CG 4.4Å; F265-K281 HydrophobicContact CZ-CD 3.95Å; F265-A282 PolarHBondContact N-O 3.11Å; F265-W283 HydrophobicContact CB-CD2 4.45Å; F265-W283 HydrophobicContact CB-CZ2 4.39Å; F265-W283 AromaticContact CD1-CH2 3.46Å; F265-W283 HydrophobicContact CD1-CH2 3.46Å; F265-W283 VanDerWaalsContact CD1-CH2 3.46Å; F265-W283 AromaticContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ3 4.07Å; F265-W283 HydrophobicContact CE1-CH2 4.11Å; F265-W283 HydrophobicContact CE1-CZ2 4.35Å; F265-W283 HydrophobicContact CG-CH2 4.45Å; F265-W283 HydrophobicContact CG-CZ2 4.37Å; F265-M308 HydrophobicContact CE1-CB 4.31Å; F265-M308 HydrophobicContact CZ-CB 4.3Å |
| 266 | H | 81.3 | Confident | 78.2 | Confident | 115 Ų | 115 | 77 Ų | 77 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -51.3 | 179.8 | -173.7 | -19.5 | 0 | 0 | 0 | 112.5 | C264 W283 C287 | C264-H266 PolarHBondContact O-N 2.87Å; C264-H266 PolarHBondContact SG-N 2.89Å; C264-H266 VanDerWaalsContact SG-N 3.45Å; H266-W283 HydrophobicContact CB-CE3 4.15Å; H266-W283 HydrophobicContact CB-CZ3 3.96Å; H266-C287 HydrophobicContact CB-CB 4.05Å |
| 267 | C | 82.9 | Confident | 78.1 | Confident | 47 Ų | 47 | 79 Ų | 79 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -5.6 | -171.7 | 69 | 0 | 0 | 0 | 0 | 113.6 | C264 R269 | C264-C267 WeakPolarHBondContact CB-SG 3.42Å; C267-R269 PolarHBondContact O-N 2.91Å |
| 268 | N | 74.9 | Confident | 77.9 | Confident | 126 Ų | 126 | 77.8 Ų | 77.8 | 67% | 0.674 | 42% | 0.417 | S | S | * | . | trans | 52.7 | 23.2 | -176.7 | -66.8 | -26.9 | 0 | 0 | 0 | 114 | C264 | C264-N268 VanDerWaalsContact O-CA 3.27Å; C264-N268 WeakPolarHBondContact O-CA 3.36Å; C264-N268 PolarHBondContact O-N 2.86Å | ||
| 269 | R | 76.8 | Confident | 78 | Confident | 190 Ų | 190 | 73.6 Ų | 73.6 | 72% | 0.717 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -101.7 | 150.1 | 173.3 | -62 | -177.7 | -173.3 | -173.7 | 0.2 | 109.7 | C264 C267 I271 | C264-R269 PolarHBondContact N-O 2.81Å; C267-R269 PolarHBondContact O-N 2.91Å; R269-I271 PolarHBondContact O-N 3.15Å |
| 270 | V | 75.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 78.1 Ų | 78.1 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -64 | 134.3 | 171.6 | -174.5 | 0 | 0 | 0 | 0 | 109 | N257 V263 E272 | N257-V270 HydrophobicContact CB-CG1 3.83Å; N257-V270 WeakPolarHBondContact O-CG1 3.43Å; V263-V270 HydrophobicContact CG2-CG2 4.4Å; V270-E272 PolarHBondContact O-N 3.03Å |
| 271 | I | 79.4 | Confident | 78 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 12% | 0.118 | 42% | 0.415 | C | S | . | . | trans | -80.5 | 104.3 | -179.9 | -59 | 165.9 | 0 | 0 | 0 | 107.8 | D262 C264 R269 G273 V275 A282 W283 C284 | D262-I271 HydrophobicContact CB-CD1 4.2Å; D262-I271 WeakPolarHBondContact O-CB 3.41Å; D262-I271 WeakPolarHBondContact O-CG1 3.13Å; D262-I271 PolarHBondContact O-N 2.88Å; C264-I271 HydrophobicContact CB-CD1 3.98Å; C264-I271 HydrophobicContact CB-CG1 3.77Å; R269-I271 PolarHBondContact O-N 3.15Å; I271-G273 PolarHBondContact O-N 3.26Å; I271-V275 HydrophobicContact CD1-CB 4.43Å; I271-V275 HydrophobicContact CD1-CG2 3.88Å; I271-A282 HydrophobicContact CD1-CB 4.11Å; I271-W283 VanDerWaalsContact CD1-C 3.42Å; I271-W283 WeakPolarHBondContact CD1-O 3.47Å; I271-C284 HydrophobicContact CG1-CB 4.08Å | ||
| 272 | E | 67 | Low | 78.3 | Confident | 167 Ų | 167 | 76.1 Ų | 76.1 | 78% | 0.78 | 41% | 0.411 | S | S | * | . | trans | -84.8 | 84 | 171.7 | -65.3 | 177.2 | 174.9 | 0 | 0 | 108.7 | V270 | V270-E272 PolarHBondContact O-N 3.03Š| ||
| 273 | G | 70.9 | Confident | 78.8 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 63% | 0.629 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 133.9 | -142.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I271 V275 | I271-G273 PolarHBondContact O-N 3.26Å; G273-V275 PolarHBondContact O-N 3.13Å |
| 274 | D | 74.3 | Confident | 79.1 | Confident | 136 Ų | 136 | 69.8 Ų | 69.8 | 73% | 0.727 | 38% | 0.375 | S | S | * | . | trans | -63.4 | 121.4 | -177 | -69.5 | -33.6 | 0 | 0 | 0 | 111.9 | V285 | D274-V285 HydrophobicContact CB-CG2 3.82Å; D274-V285 WeakPolarHBondContact O-CG2 3.32Å | ||
| 275 | V | 81.7 | Confident | 79.2 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 35% | 0.345 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.5 | 174.3 | 61 | 0 | 0 | 0 | 0 | 110.4 | D262 I271 G273 A282 | D262-V275 HydrophobicContact CB-CG2 4.1Å; I271-V275 HydrophobicContact CD1-CB 4.43Å; I271-V275 HydrophobicContact CD1-CG2 3.88Å; G273-V275 PolarHBondContact O-N 3.13Å; V275-A282 HydrophobicContact CG2-CB 3.78Å |
| 276 | V | 82 | Confident | 79.3 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 103.4 | 169.2 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | A278 W283 V285 F288 L299 | V276-A278 HydrophobicContact CG1-CB 4.49Å; V276-A278 PolarHBondContact O-N 3.42Å; V276-W283 HydrophobicContact CB-CB 4.28Å; V276-W283 PolarHBondContact N-O 2.76Å; V276-W283 PolarHBondContact O-N 2.86Å; V276-V285 HydrophobicContact CG2-CG2 4.31Å; V276-F288 HydrophobicContact CB-CB 4.41Å; V276-F288 HydrophobicContact CB-CG 4.43Å; V276-F288 HydrophobicContact CG1-CB 4.27Å; V276-F288 HydrophobicContact CG1-CD1 3.72Å; V276-F288 HydrophobicContact CG1-CD2 4.16Å; V276-F288 HydrophobicContact CG1-CE1 4.08Å; V276-F288 HydrophobicContact CG1-CE2 4.48Å; V276-F288 HydrophobicContact CG1-CG 3.79Å; V276-F288 HydrophobicContact CG1-CZ 4.45Å; V276-L299 HydrophobicContact CG1-CD2 4.21Å; V276-L299 HydrophobicContact CG1-CG 4.2Å |
| 277 | S | 83.1 | Confident | 79.4 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 57% | 0.573 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 106.1 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | K281 | S277-K281 WeakPolarHBondContact CA-O 3.24Å |
| 278 | A | 79 | Confident | 79.6 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 7% | 0.066 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V276 N280 K281 W283 F288 L299 F303 | V276-A278 HydrophobicContact CG1-CB 4.49Å; V276-A278 PolarHBondContact O-N 3.42Å; A278-N280 VanDerWaalsContact C-N 3.3Å; A278-N280 PolarHBondContact O-N 3.34Å; A278-K281 PolarHBondContact N-O 3.31Å; A278-K281 PolarHBondContact O-N 3.02Å; A278-K281 VanDerWaalsContact O-N 3.08Å; A278-W283 PolarHBondContact O-NE1 3.35Å; A278-F288 HydrophobicContact CB-CD2 4.41Å; A278-F288 HydrophobicContact CB-CE2 3.56Å; A278-F288 HydrophobicContact CB-CZ 3.81Å; A278-L299 HydrophobicContact CB-CD2 4.23Å; A278-F303 HydrophobicContact CB-CZ 4.11Å |
| 279 | L | 78.6 | Confident | 80.1 | Confident | 38 Ų | 38 | 63 Ų | 63 | 20% | 0.199 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 37.9 | 180 | -48.2 | 177.1 | 0 | 0 | 0 | 113.1 | K281 W283 F303 E305 P310 | L279-K281 WeakPolarHBondContact O-CG 3.2Å; L279-K281 PolarHBondContact O-N 2.92Å; L279-K281 VanDerWaalsContact O-N 3.14Å; L279-W283 HydrophobicContact CD1-CZ2 4.38Å; L279-F303 HydrophobicContact CD2-CE2 3.98Å; L279-F303 HydrophobicContact CG-CE2 4.34Å; L279-E305 HydrophobicContact CD1-CB 4.25Å; L279-E305 HydrophobicContact CD1-CG 3.99Å; L279-E305 HydrophobicContact CD2-CB 3.75Å; L279-E305 HydrophobicContact CD2-CG 4.12Å; L279-P310 HydrophobicContact CD1-CB 4.35Å |
| 280 | N | 76.1 | Confident | 80.6 | Confident | 179 Ų | 179 | 54 Ų | 54 | 96% | 0.957 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 28.9 | -172.6 | -70.1 | -8.7 | 0 | 0 | 0 | 114.1 | A278 | A278-N280 VanDerWaalsContact C-N 3.3Å; A278-N280 PolarHBondContact O-N 3.34Å |
| 281 | K | 81.9 | Confident | 81 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.6 | -178.1 | -67.6 | 170.8 | -170.4 | -58.8 | 0 | 110.9 | F265 S277 A278 L279 W283 M308 | F265-K281 HydrophobicContact CB-CB 4.24Å; F265-K281 HydrophobicContact CB-CD 4.28Å; F265-K281 HydrophobicContact CD1-CD 3.82Å; F265-K281 HydrophobicContact CD2-CD 3.63Å; F265-K281 HydrophobicContact CD2-CG 4.33Å; F265-K281 HydrophobicContact CE1-CD 3.97Å; F265-K281 HydrophobicContact CE2-CD 3.79Å; F265-K281 HydrophobicContact CG-CB 4.49Å; F265-K281 HydrophobicContact CG-CD 3.63Å; F265-K281 HydrophobicContact CG-CG 4.4Å; F265-K281 HydrophobicContact CZ-CD 3.95Å; S277-K281 WeakPolarHBondContact CA-O 3.24Å; A278-K281 PolarHBondContact N-O 3.31Å; A278-K281 PolarHBondContact O-N 3.02Å; A278-K281 VanDerWaalsContact O-N 3.08Å; L279-K281 WeakPolarHBondContact O-CG 3.2Å; L279-K281 PolarHBondContact O-N 2.92Å; L279-K281 VanDerWaalsContact O-N 3.14Å; K281-W283 HydrophobicContact CD-CZ2 4.43Å; K281-W283 VanDerWaalsContact O-CD1 3.31Å; K281-M308 VanDerWaalsContact CE-CE 3.43Å |
| 282 | A | 83.8 | Confident | 81.1 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D262 C264 F265 I271 V275 | D262-A282 HydrophobicContact CB-CB 3.94Å; C264-A282 WeakPolarHBondContact CA-O 3.38Å; F265-A282 PolarHBondContact N-O 3.11Å; I271-A282 HydrophobicContact CD1-CB 4.11Å; V275-A282 HydrophobicContact CG2-CB 3.78Å |
| 283 | W | 85.4 | Confident | 82 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.7 | -179.5 | -55.7 | 77.9 | 0 | 0 | 0 | 110.7 | F265 H266 I271 V276 A278 L279 K281 F288 | F265-W283 HydrophobicContact CB-CD2 4.45Å; F265-W283 HydrophobicContact CB-CZ2 4.39Å; F265-W283 AromaticContact CD1-CH2 3.46Å; F265-W283 HydrophobicContact CD1-CH2 3.46Å; F265-W283 VanDerWaalsContact CD1-CH2 3.46Å; F265-W283 AromaticContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ3 4.07Å; F265-W283 HydrophobicContact CE1-CH2 4.11Å; F265-W283 HydrophobicContact CE1-CZ2 4.35Å; F265-W283 HydrophobicContact CG-CH2 4.45Å; F265-W283 HydrophobicContact CG-CZ2 4.37Å; H266-W283 HydrophobicContact CB-CE3 4.15Å; H266-W283 HydrophobicContact CB-CZ3 3.96Å; I271-W283 VanDerWaalsContact CD1-C 3.42Å; I271-W283 WeakPolarHBondContact CD1-O 3.47Å; V276-W283 HydrophobicContact CB-CB 4.28Å; V276-W283 PolarHBondContact N-O 2.76Å; V276-W283 PolarHBondContact O-N 2.86Å; A278-W283 PolarHBondContact O-NE1 3.35Å; L279-W283 HydrophobicContact CD1-CZ2 4.38Å; K281-W283 HydrophobicContact CD-CZ2 4.43Å; K281-W283 VanDerWaalsContact O-CD1 3.31Å; W283-F288 HydrophobicContact CB-CB 3.98Å; W283-F288 HydrophobicContact CB-CD2 4.08Å; W283-F288 HydrophobicContact CB-CG 4.42Å; W283-F288 HydrophobicContact CD2-CD2 4.01Å; W283-F288 HydrophobicContact CE3-CD2 4.45Å; W283-F288 AromaticContact CG-CD2 3.83Å; W283-F288 HydrophobicContact CG-CD2 3.83Å |
| 284 | C | 84.4 | Confident | 82.6 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 14% | 0.142 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 146.7 | 169.6 | 98.5 | 0 | 0 | 0 | 0 | 109.6 | C264 I271 N286 C287 F288 | C264-C284 HydrophobicContact CB-CB 3.98Å; C264-C284 PolarHBondContact SG-N 2.86Å; I271-C284 HydrophobicContact CG1-CB 4.08Å; C284-N286 PolarHBondContact O-N 2.79Å; C284-C287 HydrophobicContact CB-CB 4.01Å; C284-C287 WeakPolarHBondContact CB-SG 3.39Å; C284-C287 PolarHBondContact O-N 2.9Å; C284-C287 WeakPolarHBondContact SG-CB 3.33Å; C284-C287 PolarHBondContact SG-N 2.69Å; C284-C287 CovalentContact SG-SG 2.06Å; C284-C287 PolarHBondContact SG-SG 2.92Å; C284-F288 PolarHBondContact O-N 2.81Å |
| 285 | V | 83.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -32.6 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | D274 V276 | D274-V285 HydrophobicContact CB-CG2 3.82Å; D274-V285 WeakPolarHBondContact O-CG2 3.32Å; V276-V285 HydrophobicContact CG2-CG2 4.31Å |
| 286 | N | 82.5 | Confident | 83.3 | Confident | 112 Ų | 112 | 56.4 Ų | 56.4 | 60% | 0.599 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -21.3 | 177.8 | -68.4 | -41.7 | 0 | 0 | 0 | 114 | C284 K296 | C284-N286 PolarHBondContact O-N 2.79Å; N286-K296 PolarHBondContact OD1-NZ 2.95Å |
| 287 | C | 83.3 | Confident | 83.3 | Confident | 19 Ų | 19 | 56 Ų | 56 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -20.5 | -172.3 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | C264 H266 C284 A289 | C264-C287 WeakPolarHBondContact SG-CB 3.13Å; C264-C287 PolarHBondContact SG-SG 3.34Å; H266-C287 HydrophobicContact CB-CB 4.05Å; C284-C287 HydrophobicContact CB-CB 4.01Å; C284-C287 WeakPolarHBondContact CB-SG 3.39Å; C284-C287 PolarHBondContact O-N 2.9Å; C284-C287 WeakPolarHBondContact SG-CB 3.33Å; C284-C287 PolarHBondContact SG-N 2.69Å; C284-C287 CovalentContact SG-SG 2.06Å; C284-C287 PolarHBondContact SG-SG 2.92Å; C287-A289 VanDerWaalsContact C-N 3.33Å; C287-A289 PolarHBondContact O-N 3.07Å |
| 288 | F | 87.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -77.4 | 84 | 175.6 | -167.6 | -113.8 | 0 | 0 | 0 | 110 | V276 A278 W283 C284 L297 F303 P310 | V276-F288 HydrophobicContact CB-CB 4.41Å; V276-F288 HydrophobicContact CB-CG 4.43Å; V276-F288 HydrophobicContact CG1-CB 4.27Å; V276-F288 HydrophobicContact CG1-CD1 3.72Å; V276-F288 HydrophobicContact CG1-CD2 4.16Å; V276-F288 HydrophobicContact CG1-CE1 4.08Å; V276-F288 HydrophobicContact CG1-CE2 4.48Å; V276-F288 HydrophobicContact CG1-CG 3.79Å; V276-F288 HydrophobicContact CG1-CZ 4.45Å; A278-F288 HydrophobicContact CB-CD2 4.41Å; A278-F288 HydrophobicContact CB-CE2 3.56Å; A278-F288 HydrophobicContact CB-CZ 3.81Å; W283-F288 HydrophobicContact CB-CB 3.98Å; W283-F288 HydrophobicContact CB-CD2 4.08Å; W283-F288 HydrophobicContact CB-CG 4.42Å; W283-F288 HydrophobicContact CD2-CD2 4.01Å; W283-F288 HydrophobicContact CE3-CD2 4.45Å; W283-F288 AromaticContact CG-CD2 3.83Å; W283-F288 HydrophobicContact CG-CD2 3.83Å; C284-F288 PolarHBondContact O-N 2.81Å; F288-L297 VanDerWaalsContact CD1-C 3.5Å; F288-L297 HydrophobicContact CD1-CB 3.59Å; F288-L297 WeakPolarHBondContact CD1-O 3.41Å; F288-L297 HydrophobicContact CE1-CB 3.46Å; F288-L297 VanDerWaalsContact CE1-CB 3.46Å; F288-L297 HydrophobicContact CG-CB 4.46Å; F288-L297 HydrophobicContact CZ-CB 4.27Å; F288-L297 PolarHBondContact O-N 3.29Å; F288-F303 HydrophobicContact CE1-CD1 4.37Å; F288-F303 HydrophobicContact CE1-CE1 4.16Å; F288-F303 AromaticContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD2 4.36Å; F288-F303 AromaticContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE2 4.04Å; F288-F303 HydrophobicContact CZ-CG 4.36Å; F288-F303 AromaticContact CZ-CZ 3.71Å; F288-F303 HydrophobicContact CZ-CZ 3.71Å; F288-P310 HydrophobicContact CD2-CG 3.93Å; F288-P310 HydrophobicContact CE2-CB 3.84Å; F288-P310 HydrophobicContact CE2-CG 3.72Å; F288-P310 HydrophobicContact CZ-CB 4.18Å; F288-P310 HydrophobicContact CZ-CG 4.43Å | ||
| 289 | A | 85.9 | Confident | 83.2 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -138.4 | 155.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | C287 S291 T295 | C287-A289 VanDerWaalsContact C-N 3.33Å; C287-A289 PolarHBondContact O-N 3.07Å; A289-S291 PolarHBondContact O-N 2.9Å; A289-T295 WeakPolarHBondContact CA-O 3.17Å |
| 290 | C | 86.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -61.2 | 123.1 | 179.7 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | T292 C293 N294 T295 L297 P310 C312 | C290-T292 PolarHBondContact O-N 3.49Å; C290-C293 WeakPolarHBondContact CB-SG 3.13Å; C290-C293 PolarHBondContact O-N 3.16Å; C290-C293 PolarHBondContact SG-SG 3.45Å; C290-N294 VanDerWaalsContact O-CA 3.23Å; C290-N294 WeakPolarHBondContact O-CA 3.46Å; C290-N294 PolarHBondContact O-N 3.46Å; C290-T295 PolarHBondContact N-O 3.08Å; C290-L297 HydrophobicContact CB-CD1 4.21Å; C290-L297 HydrophobicContact CB-CG 4.5Å; C290-P310 CarbonylContact C-O 3.55Å; C290-P310 VanDerWaalsContact CA-O 3.3Å; C290-P310 WeakPolarHBondContact CA-O 3.29Å; C290-C312 HydrophobicContact CB-CB 4.06Å; C290-C312 PolarHBondContact SG-N 3.29Å; C290-C312 VanDerWaalsContact SG-SG 3.67Å | ||
| 291 | S | 84.8 | Confident | 83.4 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.9 | -179.3 | -168.4 | 0 | 0 | 0 | 0 | 114.7 | A289 P310 | A289-S291 PolarHBondContact O-N 2.9Å; S291-P310 PolarHBondContact N-O 2.91Å |
| 292 | T | 82 | Confident | 83.3 | Confident | 81 Ų | 81 | 68 Ų | 68 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -30 | -177.6 | -45.8 | 0 | 0 | 0 | 0 | 113 | C290 C315 | C290-T292 PolarHBondContact O-N 3.49Å; T292-C315 HydrophobicContact CG2-CB 4.19Å |
| 293 | C | 85.7 | Confident | 83.2 | Confident | 54 Ų | 54 | 69.8 Ų | 69.8 | 37% | 0.365 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 3.5 | -174.7 | 70 | 0 | 0 | 0 | 0 | 114.4 | C290 T295 C315 | C290-C293 WeakPolarHBondContact CB-SG 3.13Å; C290-C293 PolarHBondContact O-N 3.16Å; C290-C293 PolarHBondContact SG-SG 3.45Å; C293-T295 PolarHBondContact O-N 3.38Å; C293-T295 PolarHBondContact SG-OG1 3.45Å; C293-C315 VanDerWaalsContact SG-SG 3.65Å |
| 294 | N | 82.8 | Confident | 83.1 | Confident | 132 Ų | 132 | 72 Ų | 72 | 71% | 0.706 | 38% | 0.384 | S | S | * | . | trans | 52.2 | 14.6 | -178.7 | -69.6 | -19.5 | 0 | 0 | 0 | 115.6 | C290 K296 | C290-N294 VanDerWaalsContact O-CA 3.23Å; C290-N294 WeakPolarHBondContact O-CA 3.46Å; C290-N294 PolarHBondContact O-N 3.46Å; N294-K296 PolarHBondContact O-N 2.91Å | ||
| 295 | T | 85.6 | Confident | 82.9 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 127.7 | 175.5 | -51.2 | 0 | 0 | 0 | 0 | 109.4 | A289 C290 C293 L297 | A289-T295 WeakPolarHBondContact CA-O 3.17Å; C290-T295 PolarHBondContact N-O 3.08Å; C293-T295 PolarHBondContact O-N 3.38Å; C293-T295 PolarHBondContact SG-OG1 3.45Å; T295-L297 PolarHBondContact O-N 3.13Å |
| 296 | K | 84.5 | Confident | 82.7 | Confident | 129 Ų | 129 | 73.9 Ų | 73.9 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | B | Isolated β-bridge | trans | -56.4 | 127.5 | 176.2 | -62.3 | -169.9 | -177.7 | -169.4 | 0 | 109.9 | N286 N294 | N286-K296 PolarHBondContact OD1-NZ 2.95Å; N294-K296 PolarHBondContact O-N 2.91Å |
| 297 | L | 83.2 | Confident | 82.4 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 159.5 | 177.3 | -66.6 | 173.5 | 0 | 0 | 0 | 109.2 | F288 C290 T295 N301 F303 P310 C312 | F288-L297 VanDerWaalsContact CD1-C 3.5Å; F288-L297 HydrophobicContact CD1-CB 3.59Å; F288-L297 WeakPolarHBondContact CD1-O 3.41Å; F288-L297 HydrophobicContact CE1-CB 3.46Å; F288-L297 VanDerWaalsContact CE1-CB 3.46Å; F288-L297 HydrophobicContact CG-CB 4.46Å; F288-L297 HydrophobicContact CZ-CB 4.27Å; F288-L297 PolarHBondContact O-N 3.29Å; C290-L297 HydrophobicContact CB-CD1 4.21Å; C290-L297 HydrophobicContact CB-CG 4.5Å; T295-L297 PolarHBondContact O-N 3.13Å; L297-N301 HydrophobicContact CD2-CB 4.12Å; L297-F303 HydrophobicContact CD1-CB 4Å; L297-P310 HydrophobicContact CD1-CB 3.81Å; L297-P310 HydrophobicContact CD1-CG 4.23Å; L297-C312 HydrophobicContact CD2-CB 3.93Å |
| 298 | T | 82.2 | Confident | 82.1 | Confident | 67 Ų | 67 | 78 Ų | 78 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | trans | -135.1 | 165.1 | 170.7 | 65.3 | 0 | 0 | 0 | 0 | 107.3 | K300 N301 | T298-K300 PolarHBondContact O-N 3.41Å; T298-K300 VanDerWaalsContact O-N 3.09Å; T298-K300 PolarHBondContact OG1-N 3.41Å; T298-N301 PolarHBondContact N-ND2 2.91Å; T298-N301 WeakPolarHBondContact O-CB 3.23Å; T298-N301 PolarHBondContact O-N 3.49Å; T298-N301 PolarHBondContact OG1-ND2 2.96Å | ||
| 299 | L | 77.5 | Confident | 81.8 | Confident | 116 Ų | 116 | 81.9 Ų | 81.9 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.4 | 175.2 | -66.3 | 171.4 | 0 | 0 | 0 | 113.2 | V276 A278 | V276-L299 HydrophobicContact CG1-CD2 4.21Å; V276-L299 HydrophobicContact CG1-CG 4.2Å; A278-L299 HydrophobicContact CB-CD2 4.23Å |
| 300 | K | 77.7 | Confident | 81.7 | Confident | 198 Ų | 198 | 81 Ų | 81 | 86% | 0.861 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -21.7 | 174.6 | -63.7 | -177 | 178.8 | 179.3 | 0 | 112.9 | T298 | T298-K300 PolarHBondContact O-N 3.41Å; T298-K300 VanDerWaalsContact O-N 3.09Å; T298-K300 PolarHBondContact OG1-N 3.41Å |
| 301 | N | 81.4 | Confident | 81.6 | Confident | 71 Ų | 71 | 81 Ų | 81 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -81.9 | 140.9 | -178.2 | -66.2 | -23 | 0 | 0 | 0 | 110.3 | L297 T298 F303 | L297-N301 HydrophobicContact CD2-CB 4.12Å; T298-N301 PolarHBondContact N-ND2 2.91Å; T298-N301 WeakPolarHBondContact O-CB 3.23Å; T298-N301 PolarHBondContact O-N 3.49Å; T298-N301 PolarHBondContact OG1-ND2 2.96Å; N301-F303 WeakPolarHBondContact O-CD1 3.29Å; N301-F303 PolarHBondContact O-N 3.12Å |
| 302 | K | 78.6 | Confident | 81.7 | Confident | 166 Ų | 166 | 79.2 Ų | 79.2 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | trans | -75.8 | 116.3 | 171.6 | -65.8 | -173.6 | 179.6 | -176.8 | 0 | 109.8 | K313 | K302-K313 HydrophobicContact CB-CB 4.44Å; K302-K313 PolarHBondContact O-N 3.37Å | ||
| 303 | F | 83.4 | Confident | 81.7 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 24% | 0.237 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162.4 | 176.8 | 62.6 | -92.1 | 0 | 0 | 0 | 111.1 | A278 L279 F288 L297 N301 P310 V311 | A278-F303 HydrophobicContact CB-CZ 4.11Å; L279-F303 HydrophobicContact CD2-CE2 3.98Å; L279-F303 HydrophobicContact CG-CE2 4.34Å; F288-F303 HydrophobicContact CE1-CD1 4.37Å; F288-F303 HydrophobicContact CE1-CE1 4.16Å; F288-F303 AromaticContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD2 4.36Å; F288-F303 AromaticContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE2 4.04Å; F288-F303 HydrophobicContact CZ-CG 4.36Å; F288-F303 AromaticContact CZ-CZ 3.71Å; F288-F303 HydrophobicContact CZ-CZ 3.71Å; L297-F303 HydrophobicContact CD1-CB 4Å; N301-F303 WeakPolarHBondContact O-CD1 3.29Å; N301-F303 PolarHBondContact O-N 3.12Å; F303-P310 HydrophobicContact CD2-CB 4.02Å; F303-P310 HydrophobicContact CG-CB 4.43Å; F303-V311 CarbonylContact C-O 3.57Å; F303-V311 VanDerWaalsContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CB-O 3.47Å |
| 304 | V | 81.6 | Confident | 81.5 | Confident | 49 Ų | 49 | 85.8 Ų | 85.8 | 30% | 0.297 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.9 | 178 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | V311 Y316 | V304-V311 PolarHBondContact N-O 3.31Å; V304-V311 PolarHBondContact O-N 3.13Å; V304-Y316 HydrophobicContact CB-CD2 4.02Å; V304-Y316 HydrophobicContact CB-CE2 4.44Å; V304-Y316 HydrophobicContact CB-CG 4.33Å; V304-Y316 HydrophobicContact CG1-CD2 3.94Å; V304-Y316 HydrophobicContact CG1-CE2 3.89Å; V304-Y316 HydrophobicContact CG2-CD1 4.22Å; V304-Y316 HydrophobicContact CG2-CD2 4.07Å; V304-Y316 HydrophobicContact CG2-CE2 4.44Å; V304-Y316 HydrophobicContact CG2-CG 3.95Å |
| 305 | E | 80.5 | Confident | 81.5 | Confident | 76 Ų | 76 | 80 Ų | 80 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.7 | 172.3 | -173.2 | 169.2 | -171.6 | 0 | 0 | 110.8 | L279 | L279-E305 HydrophobicContact CD1-CB 4.25Å; L279-E305 HydrophobicContact CD1-CG 3.99Å; L279-E305 HydrophobicContact CD2-CB 3.75Å; L279-E305 HydrophobicContact CD2-CG 4.12Å |
| 306 | F | 79.3 | Confident | 81.3 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 26% | 0.259 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 123.8 | 172.2 | -178.2 | -105.4 | 0 | 0 | 0 | 108.8 | M308 K309 V311 F319 L323 L327 | F306-M308 VanDerWaalsContact C-N 3.29Å; F306-M308 PolarHBondContact O-N 3.22Å; F306-K309 PolarHBondContact N-O 2.83Å; F306-K309 PolarHBondContact O-N 2.81Å; F306-V311 HydrophobicContact CB-CB 4.45Å; F306-V311 HydrophobicContact CB-CG2 3.68Å; F306-V311 HydrophobicContact CD1-CG2 4.45Å; F306-V311 HydrophobicContact CG-CG2 4.46Å; F306-F319 HydrophobicContact CB-CE2 4.45Å; F306-F319 AromaticContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CZ 4.1Å; F306-F319 AromaticContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CE1-CE2 4.12Å; F306-F319 HydrophobicContact CE1-CZ 4.22Å; F306-F319 AromaticContact CE2-CE2 3.98Å; F306-F319 HydrophobicContact CE2-CE2 3.98Å; F306-F319 AromaticContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CZ 4.35Å; F306-F319 HydrophobicContact CZ-CE2 4.13Å; F306-L323 HydrophobicContact CE2-CD1 4.09Å; F306-L323 HydrophobicContact CE2-CD2 4.02Å; F306-L323 HydrophobicContact CE2-CG 4.19Å; F306-L323 HydrophobicContact CZ-CD1 4.49Å; F306-L323 HydrophobicContact CZ-CD2 4.08Å; F306-L327 HydrophobicContact CD2-CD1 3.45Å; F306-L327 VanDerWaalsContact CD2-CD1 3.45Å; F306-L327 HydrophobicContact CD2-CD2 3.48Å; F306-L327 VanDerWaalsContact CD2-CD2 3.48Å; F306-L327 HydrophobicContact CD2-CG 4.02Å; F306-L327 HydrophobicContact CE2-CD1 3.85Å; F306-L327 HydrophobicContact CE2-CD2 3.88Å; F306-L327 HydrophobicContact CE2-CG 4.28Å |
| 307 | D | 77.4 | Confident | 81.2 | Confident | 126 Ų | 126 | 77.6 Ų | 77.6 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 47.4 | 179.5 | -164.5 | 39.3 | 0 | 0 | 0 | 112.8 | K309 | D307-K309 PolarHBondContact O-N 3.4Å; D307-K309 VanDerWaalsContact O-N 3.08Å |
| 308 | M | 75.5 | Confident | 81.1 | Confident | 91 Ų | 91 | 85.7 Ų | 85.7 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 14.9 | -178.7 | -52.7 | -65.3 | -75.5 | 0 | 0 | 114.9 | F265 K281 F306 | F265-M308 HydrophobicContact CE1-CB 4.31Å; F265-M308 HydrophobicContact CZ-CB 4.3Å; K281-M308 VanDerWaalsContact CE-CE 3.43Å; F306-M308 VanDerWaalsContact C-N 3.29Å; F306-M308 PolarHBondContact O-N 3.22Å |
| 309 | K | 81.5 | Confident | 81 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.2 | -179.7 | -66.7 | 177.3 | -177.3 | 173.9 | 0 | 111.6 | F306 D307 | F306-K309 PolarHBondContact N-O 2.83Å; F306-K309 PolarHBondContact O-N 2.81Å; D307-K309 PolarHBondContact O-N 3.4Å; D307-K309 VanDerWaalsContact O-N 3.08Å |
| 310 | P | 84.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 82.6 Ų | 82.6 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.9 | 178.4 | 31.6 | -34.4 | 0 | 0 | 0 | 111 | L279 F288 C290 S291 L297 F303 | L279-P310 HydrophobicContact CD1-CB 4.35Å; F288-P310 HydrophobicContact CD2-CG 3.93Å; F288-P310 HydrophobicContact CE2-CB 3.84Å; F288-P310 HydrophobicContact CE2-CG 3.72Å; F288-P310 HydrophobicContact CZ-CB 4.18Å; F288-P310 HydrophobicContact CZ-CG 4.43Å; C290-P310 CarbonylContact C-O 3.55Å; C290-P310 VanDerWaalsContact CA-O 3.3Å; C290-P310 WeakPolarHBondContact CA-O 3.29Å; S291-P310 PolarHBondContact N-O 2.91Å; L297-P310 HydrophobicContact CD1-CB 3.81Å; L297-P310 HydrophobicContact CD1-CG 4.23Å; F303-P310 HydrophobicContact CD2-CB 4.02Å; F303-P310 HydrophobicContact CG-CB 4.43Å |
| 311 | V | 83.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.1 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | F303 V304 F306 C315 F319 | F303-V311 CarbonylContact C-O 3.57Å; F303-V311 VanDerWaalsContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CB-O 3.47Å; V304-V311 PolarHBondContact N-O 3.31Å; V304-V311 PolarHBondContact O-N 3.13Å; F306-V311 HydrophobicContact CB-CB 4.45Å; F306-V311 HydrophobicContact CB-CG2 3.68Å; F306-V311 HydrophobicContact CD1-CG2 4.45Å; F306-V311 HydrophobicContact CG-CG2 4.46Å; V311-C315 HydrophobicContact CG1-CB 3.62Å; V311-F319 HydrophobicContact CG1-CZ 4.38Å |
| 312 | C | 86.9 | Confident | 80.4 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 151.6 | -179.8 | 77.4 | 0 | 0 | 0 | 0 | 111.1 | C290 L297 K314 C315 Y316 | C290-C312 HydrophobicContact CB-CB 4.06Å; C290-C312 PolarHBondContact SG-N 3.29Å; C290-C312 VanDerWaalsContact SG-SG 3.67Å; L297-C312 HydrophobicContact CD2-CB 3.93Å; C312-K314 PolarHBondContact O-N 3.31Å; C312-K314 VanDerWaalsContact O-N 3.13Å; C312-C315 PolarHBondContact O-N 3.28Å; C312-C315 PolarHBondContact SG-N 2.97Å; C312-C315 VanDerWaalsContact SG-N 3.38Å; C312-Y316 PolarHBondContact O-N 2.87Å |
| 313 | K | 82.6 | Confident | 80.2 | Confident | 103 Ų | 103 | 77.8 Ų | 77.8 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -51.1 | -40.2 | 178.5 | -176.7 | 177.4 | 170.2 | -176.6 | 0 | 113.2 | K302 C315 Y316 E317 | K302-K313 HydrophobicContact CB-CB 4.44Å; K302-K313 PolarHBondContact O-N 3.37Å; K313-C315 VanDerWaalsContact C-N 3.34Å; K313-C315 PolarHBondContact O-N 2.89Å; K313-Y316 PolarHBondContact O-N 3.22Å; K313-E317 WeakPolarHBondContact CE-OE1 3.22Å; K313-E317 IonicContact NZ-OE1 3.66Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 3.44Å |
| 314 | K | 82.5 | Confident | 79.7 | Confident | 169 Ų | 169 | 77.3 Ų | 77.3 | 74% | 0.735 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.5 | -37.6 | 179.2 | -64.3 | -176.9 | 179.6 | -179.4 | 0 | 112.9 | C312 | C312-K314 PolarHBondContact O-N 3.31Å; C312-K314 VanDerWaalsContact O-N 3.13Å |
| 315 | C | 82.3 | Confident | 79.3 | Confident | 12 Ų | 12 | 82.7 Ų | 82.7 | 8% | 0.081 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -78 | -37.9 | 176.3 | -73.6 | 0 | 0 | 0 | 0 | 111.3 | T292 C293 V311 C312 K313 E317 K318 F319 | T292-C315 HydrophobicContact CG2-CB 4.19Å; C293-C315 VanDerWaalsContact SG-SG 3.65Å; V311-C315 HydrophobicContact CG1-CB 3.62Å; C312-C315 PolarHBondContact O-N 3.28Å; C312-C315 PolarHBondContact SG-N 2.97Å; C312-C315 VanDerWaalsContact SG-N 3.38Å; K313-C315 VanDerWaalsContact C-N 3.34Å; K313-C315 PolarHBondContact O-N 2.89Å; C315-E317 VanDerWaalsContact C-N 3.3Å; C315-E317 PolarHBondContact O-N 2.89Å; C315-K318 PolarHBondContact O-N 3.26Å; C315-K318 VanDerWaalsContact O-N 3.09Å; C315-F319 WeakPolarHBondContact O-CD1 3.46Å |
| 316 | Y | 81.4 | Confident | 78.9 | Confident | 52 Ų | 52 | 87.3 Ų | 87.3 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 174.4 | -179.7 | -101.4 | 0 | 0 | 0 | 112.1 | V304 C312 K313 K318 F319 K324 L327 | V304-Y316 HydrophobicContact CB-CD2 4.02Å; V304-Y316 HydrophobicContact CB-CE2 4.44Å; V304-Y316 HydrophobicContact CB-CG 4.33Å; V304-Y316 HydrophobicContact CG1-CD2 3.94Å; V304-Y316 HydrophobicContact CG1-CE2 3.89Å; V304-Y316 HydrophobicContact CG2-CD1 4.22Å; V304-Y316 HydrophobicContact CG2-CD2 4.07Å; V304-Y316 HydrophobicContact CG2-CE2 4.44Å; V304-Y316 HydrophobicContact CG2-CG 3.95Å; C312-Y316 PolarHBondContact O-N 2.87Å; K313-Y316 PolarHBondContact O-N 3.22Å; Y316-K318 PolarHBondContact O-N 3.43Å; Y316-F319 HydrophobicContact CD2-CD2 4.44Å; Y316-F319 WeakPolarHBondContact O-CB 3.49Å; Y316-F319 PolarHBondContact O-N 2.97Å; Y316-F319 VanDerWaalsContact O-N 3.12Å; Y316-K324 HydrophobicContact CE1-CG 4.38Å; Y316-K324 HydrophobicContact CE2-CG 4.26Å; Y316-K324 WeakPolarHBondContact O-CE 3.43Å; Y316-L327 HydrophobicContact CE2-CD1 3.99Å |
| 317 | E | 81.8 | Confident | 78.5 | Confident | 108 Ų | 108 | 85.7 Ų | 85.7 | 51% | 0.505 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -22.9 | 176.9 | -77.1 | 174.3 | 178.8 | 0 | 0 | 113.7 | K313 C315 F319 K324 | K313-E317 WeakPolarHBondContact CE-OE1 3.22Å; K313-E317 IonicContact NZ-OE1 3.66Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 3.44Å; C315-E317 VanDerWaalsContact C-N 3.3Å; C315-E317 PolarHBondContact O-N 2.89Å; E317-F319 VanDerWaalsContact C-N 3.34Å; E317-K324 PolarHBondContact O-NZ 2.85Å |
| 318 | K | 80.6 | Confident | 78.2 | Confident | 181 Ų | 181 | 86.1 Ų | 86.1 | 79% | 0.787 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.2 | 176 | -65.7 | -178.4 | 180 | -173.3 | 0 | 113.8 | C315 Y316 | C315-K318 PolarHBondContact O-N 3.26Å; C315-K318 VanDerWaalsContact O-N 3.09Å; Y316-K318 PolarHBondContact O-N 3.43Å |
| 319 | F | 80.4 | Confident | 77.9 | Confident | 30 Ų | 30 | 89 Ų | 89 | 13% | 0.132 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -70.4 | 145.1 | -179.6 | -75.7 | 6.1 | 0 | 0 | 0 | 112.1 | F306 V311 C315 Y316 E317 L323 K324 L327 | F306-F319 HydrophobicContact CB-CE2 4.45Å; F306-F319 AromaticContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CZ 4.1Å; F306-F319 AromaticContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CE1-CE2 4.12Å; F306-F319 HydrophobicContact CE1-CZ 4.22Å; F306-F319 AromaticContact CE2-CE2 3.98Å; F306-F319 HydrophobicContact CE2-CE2 3.98Å; F306-F319 AromaticContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CZ 4.35Å; F306-F319 HydrophobicContact CZ-CE2 4.13Å; V311-F319 HydrophobicContact CG1-CZ 4.38Å; C315-F319 WeakPolarHBondContact O-CD1 3.46Å; Y316-F319 HydrophobicContact CD2-CD2 4.44Å; Y316-F319 WeakPolarHBondContact O-CB 3.49Å; Y316-F319 PolarHBondContact O-N 2.97Å; Y316-F319 VanDerWaalsContact O-N 3.12Å; E317-F319 VanDerWaalsContact C-N 3.34Å; F319-L323 HydrophobicContact CB-CD2 4.24Å; F319-L323 HydrophobicContact CD2-CD2 3.65Å; F319-L323 HydrophobicContact CD2-CG 4.32Å; F319-L323 HydrophobicContact CE2-CD2 4.13Å; F319-L323 HydrophobicContact CG-CD2 4.01Å; F319-K324 HydrophobicContact CB-CG 4.16Å; F319-K324 WeakPolarHBondContact O-CE 3.39Å; F319-K324 PolarHBondContact O-NZ 2.89Å; F319-L327 HydrophobicContact CD2-CD1 4.25Å |
| 320 | P | 79.5 | Confident | 77.2 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 57% | 0.571 | 41% | 0.414 | S | S | * | . | trans | -52.5 | 142.8 | 172.8 | -25.7 | 34 | 0 | 0 | 0 | 112 | E322 L323 K324 | P320-E322 PolarHBondContact O-N 3.5Å; P320-L323 WeakPolarHBondContact O-CB 3.4Å; P320-L323 PolarHBondContact O-N 3.33Å; P320-K324 PolarHBondContact O-N 2.85Å; P320-K324 VanDerWaalsContact O-N 3.17Å | ||
| 321 | L | 73.1 | Confident | 76.3 | Confident | 134 Ų | 134 | 92.7 Ų | 92.7 | 70% | 0.702 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.5 | -34.7 | -176.6 | -77.5 | 161.7 | 0 | 0 | 0 | 112.9 | K324 K325 | L321-K324 PolarHBondContact O-N 3.13Å; L321-K325 WeakPolarHBondContact O-CG 3.34Å; L321-K325 PolarHBondContact O-N 3.38Å; L321-K325 VanDerWaalsContact O-N 3.12Å |
| 322 | E | 72.3 | Confident | 75.4 | Confident | 147 Ų | 147 | 98 Ų | 98 | 69% | 0.687 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 176.3 | -64.8 | -175.7 | 169.9 | 0 | 0 | 112.5 | P320 K325 R326 | P320-E322 PolarHBondContact O-N 3.5Å; E322-K325 PolarHBondContact O-N 3.22Å; E322-R326 WeakPolarHBondContact O-CG 3.36Å; E322-R326 PolarHBondContact O-N 3.15Å; E322-R326 VanDerWaalsContact O-N 3.13Å |
| 323 | L | 73.1 | Confident | 74.2 | Confident | 54 Ų | 54 | 101.2 Ų | 101.2 | 28% | 0.283 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 178.7 | -170.8 | 63.3 | 0 | 0 | 0 | 111 | F306 F319 P320 K325 R326 L327 | F306-L323 HydrophobicContact CE2-CD1 4.09Å; F306-L323 HydrophobicContact CE2-CD2 4.02Å; F306-L323 HydrophobicContact CE2-CG 4.19Å; F306-L323 HydrophobicContact CZ-CD1 4.49Å; F306-L323 HydrophobicContact CZ-CD2 4.08Å; F319-L323 HydrophobicContact CB-CD2 4.24Å; F319-L323 HydrophobicContact CD2-CD2 3.65Å; F319-L323 HydrophobicContact CD2-CG 4.32Å; F319-L323 HydrophobicContact CE2-CD2 4.13Å; F319-L323 HydrophobicContact CG-CD2 4.01Å; P320-L323 WeakPolarHBondContact O-CB 3.4Å; P320-L323 PolarHBondContact O-N 3.33Å; L323-K325 VanDerWaalsContact C-N 3.35Å; L323-K325 PolarHBondContact O-N 3.05Å; L323-R326 PolarHBondContact O-N 3.36Å; L323-L327 HydrophobicContact CG-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CG 3.36Å; L323-L327 PolarHBondContact O-N 3.37Å |
| 324 | K | 73.8 | Confident | 73.1 | Confident | 44 Ų | 44 | 102.5 Ų | 102.5 | 19% | 0.191 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 174.3 | -68.9 | 173.2 | 177.9 | 154.1 | 0 | 112.4 | Y316 E317 F319 P320 L321 L327 K328 | Y316-K324 HydrophobicContact CE1-CG 4.38Å; Y316-K324 HydrophobicContact CE2-CG 4.26Å; Y316-K324 WeakPolarHBondContact O-CE 3.43Å; E317-K324 PolarHBondContact O-NZ 2.85Å; F319-K324 HydrophobicContact CB-CG 4.16Å; F319-K324 WeakPolarHBondContact O-CE 3.39Å; F319-K324 PolarHBondContact O-NZ 2.89Å; P320-K324 PolarHBondContact O-N 2.85Å; P320-K324 VanDerWaalsContact O-N 3.17Å; L321-K324 PolarHBondContact O-N 3.13Å; K324-L327 PolarHBondContact O-N 3.32Å; K324-K328 WeakPolarHBondContact O-CB 3.25Å; K324-K328 PolarHBondContact O-N 2.9Å |
| 325 | K | 72.6 | Confident | 71.7 | Confident | 161 Ų | 161 | 97.8 Ų | 97.8 | 70% | 0.7 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 175.9 | -75.6 | -179.6 | -179.4 | 179.8 | 0 | 111.9 | L321 E322 L323 K328 K329 | L321-K325 WeakPolarHBondContact O-CG 3.34Å; L321-K325 PolarHBondContact O-N 3.38Å; L321-K325 VanDerWaalsContact O-N 3.12Å; E322-K325 PolarHBondContact O-N 3.22Å; L323-K325 VanDerWaalsContact C-N 3.35Å; L323-K325 PolarHBondContact O-N 3.05Å; K325-K328 PolarHBondContact O-N 2.97Å; K325-K329 PolarHBondContact O-N 3.07Å; K325-K329 VanDerWaalsContact O-N 3.1Å |
| 326 | R | 72.7 | Confident | 70.1 | Confident | 173 Ų | 173 | 108 Ų | 108 | 65% | 0.653 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 176.4 | -72.3 | 180 | 179.6 | -174.4 | 1.7 | 112.2 | E322 L323 K329 L330 | E322-R326 WeakPolarHBondContact O-CG 3.36Å; E322-R326 PolarHBondContact O-N 3.15Å; E322-R326 VanDerWaalsContact O-N 3.13Å; L323-R326 PolarHBondContact O-N 3.36Å; R326-K329 PolarHBondContact O-N 2.86Å; R326-L330 PolarHBondContact O-N 3.19Å |
| 327 | L | 71.3 | Confident | 67.9 | Low | 26 Ų | 26 | 118 Ų | 118 | 14% | 0.136 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -66.9 | -40.2 | 178.2 | -68.2 | 167.8 | 0 | 0 | 0 | 112.6 | F306 Y316 F319 L323 K324 K329 L330 A331 | F306-L327 HydrophobicContact CD2-CD1 3.45Å; F306-L327 VanDerWaalsContact CD2-CD1 3.45Å; F306-L327 HydrophobicContact CD2-CD2 3.48Å; F306-L327 VanDerWaalsContact CD2-CD2 3.48Å; F306-L327 HydrophobicContact CD2-CG 4.02Å; F306-L327 HydrophobicContact CE2-CD1 3.85Å; F306-L327 HydrophobicContact CE2-CD2 3.88Å; F306-L327 HydrophobicContact CE2-CG 4.28Å; Y316-L327 HydrophobicContact CE2-CD1 3.99Å; F319-L327 HydrophobicContact CD2-CD1 4.25Å; L323-L327 HydrophobicContact CG-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CG 3.36Å; L323-L327 PolarHBondContact O-N 3.37Å; K324-L327 PolarHBondContact O-N 3.32Å; L327-K329 VanDerWaalsContact C-N 3.33Å; L327-K329 PolarHBondContact O-N 3.05Å; L327-L330 PolarHBondContact O-N 3.43Å; L327-A331 WeakPolarHBondContact O-CB 3.01Å; L327-A331 PolarHBondContact O-N 2.87Å |
| 328 | K | 70.6 | Confident | 67.2 | Low | 134 Ų | 134 | 118.6 Ų | 118.6 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.1 | -43.5 | 174.2 | -166.6 | -178.6 | 179.5 | -172.2 | 0 | 111.4 | K324 K325 L330 A331 E332 | K324-K328 WeakPolarHBondContact O-CB 3.25Å; K324-K328 PolarHBondContact O-N 2.9Å; K325-K328 PolarHBondContact O-N 2.97Å; K328-L330 PolarHBondContact O-N 2.85Å; K328-A331 PolarHBondContact O-N 3.14Å; K328-E332 VanDerWaalsContact CE-OE1 3.3Å; K328-E332 WeakPolarHBondContact CE-OE1 3.5Å; K328-E332 WeakPolarHBondContact O-CB 3.32Å; K328-E332 VanDerWaalsContact O-CG 3.28Å; K328-E332 WeakPolarHBondContact O-CG 3.49Å; K328-E332 PolarHBondContact O-N 2.99Å |
| 329 | K | 69.8 | Low | 66.5 | Low | 151 Ų | 151 | 115.3 Ų | 115.3 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.9 | -39.9 | 175.6 | -167.5 | 175.7 | -178.5 | 179.6 | 0 | 112.4 | K325 R326 L327 E332 T333 | K325-K329 PolarHBondContact O-N 3.07Å; K325-K329 VanDerWaalsContact O-N 3.1Å; R326-K329 PolarHBondContact O-N 2.86Å; L327-K329 VanDerWaalsContact C-N 3.33Å; L327-K329 PolarHBondContact O-N 3.05Å; K329-E332 PolarHBondContact O-N 3.05Å; K329-T333 WeakPolarHBondContact O-CG2 3.12Å; K329-T333 PolarHBondContact O-N 3.27Å; K329-T333 VanDerWaalsContact O-N 3.1Å; K329-T333 PolarHBondContact O-OG1 3.07Å |
| 330 | L | 65.9 | Low | 65.7 | Low | 98 Ų | 98 | 120 Ų | 120 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.3 | -43 | 175.8 | -83.9 | 160.8 | 0 | 0 | 0 | 112.6 | R326 L327 K328 T333 L334 | R326-L330 PolarHBondContact O-N 3.19Å; L327-L330 PolarHBondContact O-N 3.43Å; K328-L330 PolarHBondContact O-N 2.85Å; L330-T333 WeakPolarHBondContact CA-OG1 3.41Å; L330-T333 PolarHBondContact O-N 3.14Å; L330-T333 PolarHBondContact O-OG1 3.03Å; L330-L334 PolarHBondContact O-N 3.14Å |
| 331 | A | 65.5 | Low | 64.9 | Low | 64 Ų | 64 | 121.9 Ų | 121.9 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L327 K328 T333 L334 G335 | L327-A331 WeakPolarHBondContact O-CB 3.01Å; L327-A331 PolarHBondContact O-N 2.87Å; K328-A331 PolarHBondContact O-N 3.14Å; A331-T333 VanDerWaalsContact C-N 3.32Å; A331-T333 PolarHBondContact O-N 3.49Å; A331-L334 PolarHBondContact O-N 3.43Å; A331-G335 PolarHBondContact O-N 3.47Å |
| 332 | E | 65.2 | Low | 64.4 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.1 | -32.9 | 175.3 | -74.1 | 168 | -176.7 | 0 | 0 | 112.6 | K328 K329 | K328-E332 VanDerWaalsContact CE-OE1 3.3Å; K328-E332 WeakPolarHBondContact CE-OE1 3.5Å; K328-E332 WeakPolarHBondContact O-CB 3.32Å; K328-E332 VanDerWaalsContact O-CG 3.28Å; K328-E332 WeakPolarHBondContact O-CG 3.49Å; K328-E332 PolarHBondContact O-N 2.99Å; K329-E332 PolarHBondContact O-N 3.05Å |
| 333 | T | 60.8 | Low | 63.9 | Low | 86 Ų | 86 | 119.4 Ų | 119.4 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -76.8 | -30 | 174.8 | 47.5 | 0 | 0 | 0 | 0 | 114.1 | K329 L330 A331 | K329-T333 WeakPolarHBondContact O-CG2 3.12Å; K329-T333 PolarHBondContact O-N 3.27Å; K329-T333 VanDerWaalsContact O-N 3.1Å; K329-T333 PolarHBondContact O-OG1 3.07Å; L330-T333 WeakPolarHBondContact CA-OG1 3.41Å; L330-T333 PolarHBondContact O-N 3.14Å; L330-T333 PolarHBondContact O-OG1 3.03Å; A331-T333 VanDerWaalsContact C-N 3.32Å; A331-T333 PolarHBondContact O-N 3.49Å |
| 334 | L | 59.7 | Low | 63.2 | Low | 129 Ų | 129 | 124.1 Ų | 124.1 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -81.1 | -27.1 | 178.7 | -79.4 | 159.3 | 0 | 0 | 0 | 112.8 | L330 A331 R336 | L330-L334 PolarHBondContact O-N 3.14Å; A331-L334 PolarHBondContact O-N 3.43Å; L334-R336 VanDerWaalsContact C-N 3.29Å; L334-R336 PolarHBondContact O-N 3.01Å |
| 335 | G | 52.8 | Low | 62.4 | Low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 4.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | A331 | A331-G335 PolarHBondContact O-N 3.47Š|
| 336 | R | 48.2 | Very low | 61.5 | Low | 227 Ų | 227 | 127.7 Ų | 127.7 | 86% | 0.857 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 14.4 | -179.3 | -83.5 | -174 | 175.9 | -177 | -0 | 114.3 | L334 | L334-R336 VanDerWaalsContact C-N 3.29Å; L334-R336 PolarHBondContact O-N 3.01Å |
| 337 | K | 35.8 | Very low | 60.5 | Low | 263 Ų | 263 | 123.5 Ų | 123.5 | 100% | 1.143 | 62% | 0.624 | S | S | * | * | trans | -118 | 0 | 176.6 | -82.5 | -171.2 | 175.2 | -176.1 | 0 | 112.1 |
Retrieved 337 of 337 residues in 520.9 ms
(Link to these results)